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C#CCCCCCCCC(=O)CCF 1458a_100000087357_100011217306 [0,0,0,0,0,0|2,0,2]=4 13 B13R0.2 C#CCCCCCCCC(=O)CCO 1458a_100000087357_100000211926 [0,0,0,0,0,0|2,0,2]=4 14 B13R0.2 C#CCCCCCCCC(=O)CCO 1458a_100011216618_100153394163 [0,0,0,0,0,0|2,0,2]=4 15 B13R0.2 C#CCCCCCCCC(=O)COC 1458a_100000210968_100153394163 [0,0,0,0,0,0|2,0,2]=4 16 B13R0.2 C#CCCCCCCCC(=O)CSC 1458a_100000184570_100153394163 [0,0,0,0,0,0|2,0,2]=4 17 B13R0.2 C#CCCCCCCCC(=O)NCC 11a_100015525214_100000087357 [0,0,0,0,0,0|2,0,2]=4 18 B13R0.2 C#CCCCCCCCC(=O)NCC 240690a_100015525214_100000087357 [0,0,0,0,0,0|2,0,2]=4 19 B13R0.2 C#CCCCCCCCC(=O)NCC 527a_100015525214_100000087357 [0,0,0,0,0,0|2,0,2]=4 20 B13R0.2 C#CCCCCCCOC(C)CCC 34a_100000764384_100012276617 [0,0,0,0,0,0|1,0,3]=4 21 B13R0.2 C#CCCCCCCOC(C)CCC 34a_100011217361_100000766640 [0,0,0,0,0,0|1,0,3]=4 22 B13R0.2 C#CCCCCCCOC(C)CCC 7a_100000764384_100012276617 [0,0,0,0,0,0|1,0,3]=4 23 B13R0.2 C#CCCCCCCOC(C)CCC 7a_100011217361_100000766640 [0,0,0,0,0,0|1,0,3]=4 24 B13R0.2 C#CCCCCCOCC(=O)CCC 7a_100000766912_100000747444 [0,0,0,0,0,0|2,0,2]=4 25 B13R0.2 C#CCCCCCSCC(=O)CCC 62a_100000747444_100012094781 [0,0,0,0,0,0|2,0,2]=4 26 B13R0.2 C#CCCCCCSCC(=O)CCC 62a_100012094781_100000747444 [0,0,0,0,0,0|2,0,2]=4 27 B13R0.2 C#CCCCCNCOC(=O)CCC 2230a_100000706060_100000034017 [0,0,0,0,0,0|1,0,2]=3 28 B13R0.2 C#CCCCCNCOC(=O)CCC 34a_100000706060_100000034017 [0,0,0,0,0,0|1,0,2]=3 29 B13R0.2 C#CCCCCOCOC(=O)CCC 34a_100000766709_100000034017 [0,0,0,0,0,0|1,0,2]=3 30 B13R0.2 C#CCCCCSCOC(=O)CCC 62a_100010269958_100000034017 [0,0,0,0,0,0|1,0,2]=3 31 B13R0.2 C#CCCCCSCOC(=O)OCC 62a_100010269958_100000075025 [0,0,0,0,0,0|2,0,2]=4 32 B13R0.2 C#CCOCCNCOC(=O)CCC 2230a_100000700922_100000034017 [0,0,0,0,0,0|2,0,2]=4 33 B13R0.2 C#CCOCCNCOC(=O)CCC 34a_100000700922_100000034017 [0,0,0,0,0,0|2,0,2]=4 34 B13R0.2 C#CCOCCOCOC(=O)CCC 34a_100000054580_100000034017 [0,0,0,0,0,0|2,0,2]=4 35 B13R0.2 C#CCOCCSCOC(=O)CCC 62a_100010402529_100000034017 [0,0,0,0,0,0|2,0,2]=4 36 B13R0.2 C/C=C/C(C)OCCCCCCCC 34a_200102604097_100000210759 [0,0,0,0,0,0|1,0,3]=4 37 B13R0.2 C=CCC(=O)C=CCCCCCCC 1458a_200015332781_100000210623 [0,0,0,0,0,0|1,0,3]=4 38 B13R0.2 C=CCC(=O)CCCCCCCCC 1458a_100000210193_100000210670 [0,0,0,0,0,0|1,0,2]=3 39 B13R0.2 C=CCC(=O)CCCCCCCCC 1458a_100000210558_100000210623 [0,0,0,0,0,0|1,0,2]=3 40 B13R0.2 C=CCC(=O)CCCCCCCCO 1458a_100000210193_100000033203 [0,0,0,0,0,0|2,0,2]=4 41 B13R0.2 C=CCC(=O)NCCCCCCCC 11a_100000229939_100000210193 [0,0,0,0,0,0|1,0,2]=3 42 B13R0.2 C=CCC(=O)NCCCCCCCC 1626a_100000229939_100000210193 [0,0,0,0,0,0|1,0,2]=3 43 B13R0.2 C=CCC(=O)NCCCCCCCC 240690a_100000229939_100000210193 [0,0,0,0,0,0|1,0,2]=3 44 B13R0.2 C=CCC(=O)NCCCCCCCC 527a_100000229939_100000210193 [0,0,0,0,0,0|1,0,2]=3 45 B13R0.2 C=CCC(=O)NCCCCCCCO 240690a_100011996573_100000210193 [0,0,0,0,0,0|2,0,2]=4 46 B13R0.2 C=CCC(=O)NCCCOCCCC 1626a_200000211371_100000210193 [0,0,0,0,0,0|2,0,2]=4 47 B13R0.2 C=CCC(=O)NCCCOCCCC 240690a_200000211371_100000210193 [0,0,0,0,0,0|2,0,2]=4 48 B13R0.2 C=CCC(=O)NCCCOCCCC 527a_200000211371_100000210193 [0,0,0,0,0,0|2,0,2]=4 49 B13R0.2 C=CCCCCCCCC(=O)CCC 1458a_100000211992_100012355270 [0,0,0,0,0,0|1,0,2]=3 50 B13R0.2 C=CCCCCCCCC(=O)CCC 1458a_100011216160_100000210303 [0,0,0,0,0,0|1,0,2]=3 51 B13R0.2 C=CCCCCCCCC(=O)CCF 1458a_100011216160_100011217306 [0,0,0,0,0,0|2,0,2]=4 52 B13R0.2 C=CCCCCCCCC(=O)CCO 1458a_100011216160_100000211926 [0,0,0,0,0,0|2,0,2]=4 53 B13R0.2 C=CCCCCCCCC(=O)CCO 1458a_100011216618_100012355270 [0,0,0,0,0,0|2,0,2]=4 54 B13R0.2 C=CCCCCCCCC(=O)COC 1458a_100000210968_100012355270 [0,0,0,0,0,0|2,0,2]=4 55 B13R0.2 C=CCCCCCCCC(=O)CSC 1458a_100000184570_100012355270 [0,0,0,0,0,0|2,0,2]=4 56 B13R0.2 C=CCCCCCCCC(=O)NCC 11a_100015525214_100011216160 [0,0,0,0,0,0|2,0,2]=4 57 B13R0.2 C=CCCCCCCCC(=O)NCC 240690a_100015525214_100011216160 [0,0,0,0,0,0|2,0,2]=4 58 B13R0.2 C=CCCCCCCCC(=O)NCC 527a_100015525214_100011216160 [0,0,0,0,0,0|2,0,2]=4 59 B13R0.2 C=CCCCCCCOC(C)CCC 34a_100000764384_100011215473 [0,0,0,0,0,0|1,0,3]=4 60 B13R0.2 C=CCCCCCCOC(C)CCC 34a_200011216477_100000766640 [0,0,0,0,0,0|1,0,3]=4 61 B13R0.2 C=CCCCCCCOC(C)CCC 7a_100000764384_100011215473 [0,0,0,0,0,0|1,0,3]=4 62 B13R0.2 C=CCCCCCCOC(C)CCC 7a_200011216477_100000766640 [0,0,0,0,0,0|1,0,3]=4 63 B13R0.2 C=CCCCCCOCC(=O)CCC 7a_100011216702_100000747444 [0,0,0,0,0,0|2,0,2]=4 64 B13R0.2 C=CCCCCCSCC(=O)CCC 62a_100000700193_100000747444 [0,0,0,0,0,0|2,0,2]=4 65 B13R0.2 C=CCCCCCSCC(=O)CCC 62a_100000747444_100000700193 [0,0,0,0,0,0|2,0,2]=4 66 B13R0.2 C=CCCCCNCOC(=O)CCC 2230a_100000703577_100000034017 [0,0,0,0,0,0|1,0,2]=3 67 B13R0.2 C=CCCCCNCOC(=O)CCC 34a_100000703577_100000034017 [0,0,0,0,0,0|1,0,2]=3 68 B13R0.2 C=CCCCCOCOC(=O)CCC 34a_100000766645_100000034017 [0,0,0,0,0,0|1,0,2]=3 69 B13R0.2 C=CCCCCSCOC(=O)CCC 62a_100011215482_100000034017 [0,0,0,0,0,0|1,0,2]=3 70 B13R0.2 C=CCCCCSCOC(=O)OCC 62a_100011215482_100000075025 [0,0,0,0,0,0|2,0,2]=4 71 B13R0.2 C=CCOCCOCOC(=O)CCC 34a_100000037705_100000034017 [0,0,0,0,0,0|2,0,2]=4 72 B13R0.2 C=CC[C@@H](C)OCCCCCCCC 34a_100000731007_100000210759 [0,0,0,0,0,0|1,0,3]=4 73 B13R0.2 C=CC[C@@H](C)OCCCCCCCC 7a_100000731007_100000210759 [0,0,0,0,0,0|1,0,3]=4 74 B13R0.2 C=COCCCNCOC(=O)CCC 2230a_100000210767_100000034017 [0,0,0,0,0,0|2,0,2]=4 75 B13R0.2 C=COCCCNCOC(=O)CCC 34a_100000210767_100000034017 [0,0,0,0,0,0|2,0,2]=4 76 B13R0.2 CC#CC(=O)CCCCCCCCC 1458a_100000763181_100000210670 [0,0,0,0,0,0|1,0,2]=3 77 B13R0.2 CC#CC(=O)CCCCCCCCO 1458a_100000763181_100000033203 [0,0,0,0,0,0|2,0,2]=4 78 B13R0.2 CC#CC(C)OCCCCCCCC 34a_100011216543_100000210759 [0,0,0,0,0,0|1,0,3]=4 79 B13R0.2 CC(CCBr)OCCCCCCCO 34a_100012276601_100000760002 [0,0,0,0,0,0|3,0,1]=4 80 B13R0.2 CC(CCO)OCCCCCCCBr 34a_100000760002_100009893172 [0,0,0,0,0,0|3,0,1]=4 81 B13R0.2 CC(CCO)OCCCCCCCBr 7a_100000760002_100009893172 [0,0,0,0,0,0|3,0,1]=4 82 B13R0.2 CC(CCO)OCCCCCCCN 34a_100011996573_100009893172 [0,0,0,0,0,0|3,0,1]=4 83 B13R0.2 CC/C=C/CCCOCC(=O)CCC 7a_100016287902_100000747444 [0,0,0,0,0,0|2,0,2]=4 84 B13R0.2 CC/C=C\CCCCOC(C)CCC 34a_100016287862_100000766640 [0,0,0,0,0,0|1,0,3]=4 85 B13R0.2 CC/C=C\CCCCOC(C)CCC 7a_100016287862_100000766640 [0,0,0,0,0,0|1,0,3]=4 86 B13R0.2 CC/C=C\CCOCOC(=O)CCC 34a_100016288707_100000034017 [0,0,0,0,0,0|1,0,2]=3 87 B13R0.2 CC/C=C\CCSCOC(=O)CCC 62a_100015370543_100000034017 [0,0,0,0,0,0|1,0,2]=3 88 B13R0.2 CC/C=C\CCSCOC(=O)OCC 62a_100015370543_100000075025 [0,0,0,0,0,0|2,0,2]=4 89 B13R0.2 CC=C=CCCOCOC(=O)CCC 34a_100011020354_100000034017 [0,0,0,0,0,0|1,0,3]=4 90 B13R0.2 CC=CC(=O)CCCCCCCCC 1458a_100000210699_100000210670 [0,0,0,0,0,0|1,0,2]=3 91 B13R0.2 CC=CC(=O)CCCCCCCCO 1458a_100000210699_100000033203 [0,0,0,0,0,0|2,0,2]=4 92 B13R0.2 CC=CC(=O)NCCCCCCCC 11a_100000229939_100000210699 [0,0,0,0,0,0|1,0,2]=3 93 B13R0.2 CC=CC(=O)NCCCCCCCC 1626a_100000229939_100000210699 [0,0,0,0,0,0|1,0,2]=3 94 B13R0.2 CC=CC(=O)NCCCCCCCC 240690a_100000229939_100000210699 [0,0,0,0,0,0|1,0,2]=3 95 B13R0.2 CC=CC(=O)NCCCCCCCO 240690a_100011996573_100000210699 [0,0,0,0,0,0|2,0,2]=4 96 B13R0.2 CC=CC(=O)NCCCOCCCC 1626a_200000211371_100000210699 [0,0,0,0,0,0|2,0,2]=4 97 B13R0.2 CC=CC(=O)NCCCOCCCC 240690a_200000211371_100000210699 [0,0,0,0,0,0|2,0,2]=4 98 B13R0.2 CC=CCCCOCOC(=O)CCC 34a_100020645299_100000034017 [0,0,0,0,0,0|1,0,2]=3 99 B13R0.2 CCC#CCCOCOC(=O)CCC 34a_100000036655_100000034017 [0,0,0,0,0,0|1,0,2]=3 100 B13R0.2 CCC/C=C/COCOC(=O)CCC 34a_100016278788_100000034017 [0,0,0,0,0,0|1,0,2]=3 101 B13R0.2 CCCC#CCCOCC(=O)CCC 7a_100000042726_100000747444 [0,0,0,0,0,0|2,0,2]=4 102 B13R0.2 CCCC#CCOCOC(=O)CCC 34a_100000034806_100000034017 [0,0,0,0,0,0|1,0,2]=3 103 B13R0.2 CCCC(=O)CCCCCCCCO 1458a_100000211992_100000033203 [0,0,0,0,0,0|2,0,0]=2 104 B13R0.2 CCCC(=O)CCOCCOCCO 1458a_100000211992_100000032323 [0,0,0,0,0,0|4,0,0]=4 105 B13R0.2 CCCC(=O)CCOCCOCCO 1458a_100009915118_100000210303 [0,0,0,0,0,0|4,0,0]=4 106 B13R0.2 CCCC(=O)CNCCCCCCO 2230a_100000686447_100000747444 [0,0,0,0,0,0|3,0,0]=3 107 B13R0.2 CCCC(=O)CNCCCCCOC 2230a_100000747528_100000747444 [0,0,0,0,0,0|3,0,0]=3 108 B13R0.2 CCCC(=O)CNCCOCCOC 2230a_100000745349_100000747444 [0,0,0,0,0,0|4,0,0]=4 109 B13R0.2 CCCC(=O)COCCCCCCBr 7a_100011215345_100000747444 [0,0,0,0,0,0|3,0,0]=3 110 B13R0.2 CCCC(=O)COCCCCCCCl 7a_100000766143_100000747444 [0,0,0,0,0,0|3,0,0]=3 111 B13R0.2 CCCC(=O)COCCCCCCF 7a_100000732779_100000747444 [0,0,0,0,0,0|3,0,0]=3 112 B13R0.2 CCCC(=O)COCCOCCOC 1458a_100011214951_100000210303 [0,0,0,0,0,0|4,0,0]=4 113 B13R0.2 CCCC(=O)COCCOCCOC 7a_100011215163_100000747444 [0,0,0,0,0,0|4,0,0]=4 114 B13R0.2 CCCC(=O)CSCCCCCC#N 62a_100000747444_100009813376 [0,0,0,0,0,0|3,0,1]=4 115 B13R0.2 CCCC(=O)CSCCCCCC#N 62a_100009813376_100000747444 [0,0,0,0,0,0|3,0,1]=4 116 B13R0.2 CCCC(=O)CSCCCCCC=O 62a_100000139337_100000747444 [0,0,0,0,0,0|3,0,1]=4 117 B13R0.2 CCCC(=O)CSCCCCCC=O 62a_100000747444_100000139337 [0,0,0,0,0,0|3,0,1]=4 118 B13R0.2 CCCC(=O)CSCCCCCCF 62a_100000747444_100015922095 [0,0,0,0,0,0|3,0,0]=3 119 B13R0.2 CCCC(=O)CSCCCCCCF 62a_100015922095_100000747444 [0,0,0,0,0,0|3,0,0]=3 120 B13R0.2 CCCC(=O)CSCCCCCCO 62a_100000747444_100000766143 [0,0,0,0,0,0|3,0,0]=3 121 B13R0.2 CCCC(=O)CSCCCCCCO 62a_100000766143_100000747444 [0,0,0,0,0,0|3,0,0]=3 122 B13R0.2 CCCC(=O)CSCCOCCOC 62a_100000695917_100000747444 [0,0,0,0,0,0|4,0,0]=4 123 B13R0.2 CCCC(=O)CSCCOCCOC 62a_100000747444_100000695917 [0,0,0,0,0,0|4,0,0]=4 124 B13R0.2 CCCC(=O)NCCCCCCCO 240690a_100011996573_100000211992 [0,0,0,0,0,0|2,0,0]=2 125 B13R0.2 CCCC(=O)NCCCOCCCO 240690a_100011310245_100000211992 [0,0,0,0,0,0|3,0,0]=3 126 B13R0.2 CCCC(=O)NCCCOCCOC 1626a_100000206027_100000211992 [0,0,0,0,0,0|3,0,0]=3 127 B13R0.2 CCCC(=O)NCCCOCCOC 240690a_100000206027_100000211992 [0,0,0,0,0,0|3,0,0]=3 128 B13R0.2 CCCC(=O)NCCOCCOCC 11a_100102712874_100000211992 [0,0,0,0,0,0|3,0,0]=3 129 B13R0.2 CCCC(=O)NCCOCCOCC 1626a_100102712874_100000211992 [0,0,0,0,0,0|3,0,0]=3 130 B13R0.2 CCCC(=O)NCCOCCOCC 240690a_100102712874_100000211992 [0,0,0,0,0,0|3,0,0]=3 131 B13R0.2 CCCC(=O)NCCOCCOCC 527a_100102712874_100000211992 [0,0,0,0,0,0|3,0,0]=3 132 B13R0.2 CCCC(=O)OCNCCCCCO 2230a_100000762737_100000034017 [0,0,0,0,0,0|2,0,0]=2 133 B13R0.2 CCCC(=O)OCNCCCCCO 34a_100000762737_100000034017 [0,0,0,0,0,0|2,0,0]=2 134 B13R0.2 CCCC(=O)OCNCCCN=[N+]=[N-] 2230a_100000744732_100000034017 [0,0,0,0,0,0|4,0,0]=4 135 B13R0.2 CCCC(=O)OCNCCCOCC 2230a_100000210961_100000034017 [0,0,0,0,0,0|2,0,0]=2 136 B13R0.2 CCCC(=O)OCNCCCOCC 34a_100000210961_100000034017 [0,0,0,0,0,0|2,0,0]=2 137 B13R0.2 CCCC(=O)OCNCCOCCO 2230a_100000211614_100000034017 [0,0,0,0,0,0|3,0,0]=3 138 B13R0.2 CCCC(=O)OCNCCOCCO 34a_100000211614_100000034017 [0,0,0,0,0,0|3,0,0]=3 139 B13R0.2 CCCC(=O)OCNCCSCCO 2230a_100011219999_100000034017 [0,0,0,0,0,0|3,0,0]=3 140 B13R0.2 CCCC(=O)OCOCCCCCBr 34a_100000746331_100000034017 [0,0,0,0,0,0|2,0,0]=2 141 B13R0.2 CCCC(=O)OCOCCCCCCl 34a_100000746330_100000034017 [0,0,0,0,0,0|2,0,0]=2 142 B13R0.2 CCCC(=O)OCOCCCCCI 34a_200012148887_100000034017 [0,0,0,0,0,0|2,0,0]=2 143 B13R0.2 CCCC(=O)OCOCCCCCN 34a_100000762737_100000034017 [0,0,0,0,0,0|2,0,0]=2 144 B13R0.2 CCCC(=O)OCOCCCCOC 34a_100000740925_100000034017 [0,0,0,0,0,0|2,0,0]=2 145 B13R0.2 CCCC(=O)OCOCCCCSC 34a_100011217163_100000034017 [0,0,0,0,0,0|2,0,0]=2 146 B13R0.2 CCCC(=O)OCOCCCOCC 34a_100000757476_100000034017 [0,0,0,0,0,0|2,0,0]=2 147 B13R0.2 CCCC(=O)OCOCCCSCC 34a_100011216438_100000034017 [0,0,0,0,0,0|2,0,0]=2 148 B13R0.2 CCCC(=O)OCOCCOCCBr 34a_100000692535_100000034017 [0,0,0,0,0,0|3,0,0]=3 149 B13R0.2 CCCC(=O)OCOCCOCCCl 34a_100011215305_100000034017 [0,0,0,0,0,0|3,0,0]=3 150 B13R0.2 CCCC(=O)OCOCCOCCF 34a_200015357709_100000034017 [0,0,0,0,0,0|3,0,0]=3 151 B13R0.2 CCCC(=O)OCOCCOCCI 34a_100012149058_100000034017 [0,0,0,0,0,0|3,0,0]=3 152 B13R0.2 CCCC(=O)OCOCCOCCN 34a_100000211614_100000034017 [0,0,0,0,0,0|3,0,0]=3 153 B13R0.2 CCCC(=O)OCSCCCCC#N 62a_100011219923_100000034017 [0,0,0,0,0,0|2,0,1]=3 154 B13R0.2 CCCC(=O)OCSCCCCC=O 62a_100000139335_100000034017 [0,0,0,0,0,0|2,0,1]=3 155 B13R0.2 CCCC(=O)OCSCCCCCF 62a_100000729378_100000034017 [0,0,0,0,0,0|2,0,0]=2 156 B13R0.2 CCCC(=O)OCSCCCCCO 62a_100000746330_100000034017 [0,0,0,0,0,0|2,0,0]=2 157 B13R0.2 CCCC(=O)OCSCCCCOC 62a_100000730899_100000034017 [0,0,0,0,0,0|2,0,0]=2 158 B13R0.2 CCCC(=O)OCSCCCOCC 62a_100012232248_100000034017 [0,0,0,0,0,0|2,0,0]=2 159 B13R0.2 CCCC(=O)OCSCCOCC#N 62a_200000047693_100000034017 [0,0,0,0,0,0|3,0,1]=4 160 B13R0.2 CCCC(=O)OCSCCOCCO 62a_100011215305_100000034017 [0,0,0,0,0,0|3,0,0]=3 161 B13R0.2 CCCC(=O)OCSCOCCOC 62a_100000231047_100000034017 [0,0,0,0,0,0|3,0,0]=3 162 B13R0.2 CCCC(C)NCCCCCCCO 2230a_100000741246_100000760002 [0,0,0,0,0,0|3,0,1]=4 163 B13R0.2 CCCC(C)NCCCCCCCO 2230a_100011996573_100000766640 [0,0,0,0,0,0|3,0,1]=4 164 B13R0.2 CCCC(C)NCCCCCCCO 270004a_100011996573_100000211909 [0,0,0,0,0,0|3,0,1]=4 165 B13R0.2 CCCC(C)NCCCCCCCO 34a_100011996573_100000766640 [0,0,0,0,0,0|3,0,1]=4 166 B13R0.2 CCCC(C)NCCCCCCOC 2230a_100000741246_100011998445 [0,0,0,0,0,0|3,0,1]=4 167 B13R0.2 CCCC(C)OCCCCCCC#N 7a_100000764384_100009813337 [0,0,0,0,0,0|2,0,2]=4 168 B13R0.2 CCCC(C)OCCCCCCCBr 34a_100000760002_100000766640 [0,0,0,0,0,0|2,0,1]=3 169 B13R0.2 CCCC(C)OCCCCCCCBr 7a_100000760002_100000766640 [0,0,0,0,0,0|2,0,1]=3 170 B13R0.2 CCCC(C)OCCCCCCCN 34a_100011996573_100000766640 [0,0,0,0,0,0|2,0,1]=3 171 B13R0.2 CCCC(C)OCCCCCCCO 34a_100000764384_100000760002 [0,0,0,0,0,0|2,0,1]=3 172 B13R0.2 CCCC(C)OCCCCCCCO 7a_100000764384_100000760002 [0,0,0,0,0,0|2,0,1]=3 173 B13R0.2 CCCC(C)OCCCCCCOC 34a_100000764384_100011998445 [0,0,0,0,0,0|2,0,1]=3 174 B13R0.2 CCCC(C)OCCCCCCOC 34a_200012092642_100000766640 [0,0,0,0,0,0|2,0,1]=3 175 B13R0.2 CCCC(C)OCCCCCCOC 7a_100000764384_100011998445 [0,0,0,0,0,0|2,0,1]=3 176 B13R0.2 CCCC(C)OCCCCCCOC 7a_200012092642_100000766640 [0,0,0,0,0,0|2,0,1]=3 177 B13R0.2 CCCC(C)OCCCOCCCN 34a_100011310245_100000766640 [0,0,0,0,0,0|3,0,1]=4 178 B13R0.2 CCCC(C)OCCCOCCOC 34a_100000764384_100011216529 [0,0,0,0,0,0|3,0,1]=4 179 B13R0.2 CCCC(C)OCCCOCCOC 7a_100000764384_100011216529 [0,0,0,0,0,0|3,0,1]=4 180 B13R0.2 CCCC(C)OCCOCCOCC 34a_100000210240_100000766640 [0,0,0,0,0,0|3,0,1]=4 181 B13R0.2 CCCC(C)OCCOCCOCC 34a_100000764384_100011211534 [0,0,0,0,0,0|3,0,1]=4 182 B13R0.2 CCCC(C)OCCOCCOCC 7a_100000210240_100000766640 [0,0,0,0,0,0|3,0,1]=4 183 B13R0.2 CCCC(C)OCCOCCOCC 7a_100000764384_100011211534 [0,0,0,0,0,0|3,0,1]=4 184 B13R0.2 CCCC(C)SCCCCCCCO 62a_100000760002_100000766640 [0,0,0,0,0,0|2,1,1]=4 185 B13R0.2 CCCC(C)SCCCCCCCO 62a_100000766640_100000760002 [0,0,0,0,0,0|2,1,1]=4 186 B13R0.2 CCCC(C)SCCCCCCOC 62a_100000766640_100011998445 [0,0,0,0,0,0|2,1,1]=4 187 B13R0.2 CCCC(C)SCCCCCCOC 62a_100011998445_100000766640 [0,0,0,0,0,0|2,1,1]=4 188 B13R0.2 CCCC/C=C/COCC(=O)CCC 7a_200016272032_100000747444 [0,0,0,0,0,0|2,0,2]=4 189 B13R0.2 CCCC/C=C\CCOC(C)CCC 34a_200016286491_100000766640 [0,0,0,0,0,0|1,0,3]=4 190 B13R0.2 CCCC/C=C\CCOC(C)CCC 7a_200016286491_100000766640 [0,0,0,0,0,0|1,0,3]=4 191 B13R0.2 CCCCC#CCCCC(=O)CCC 1458a_100000211992_200000047210 [0,0,0,0,0,0|1,0,2]=3 192 B13R0.2 CCCCC#CCCCC(=O)CCO 1458a_100011216618_200000047210 [0,0,0,0,0,0|2,0,2]=4 193 B13R0.2 CCCCC#CCCCC(=O)COC 1458a_100000210968_200000047210 [0,0,0,0,0,0|2,0,2]=4 194 B13R0.2 CCCCC#CCCCC(=O)CSC 1458a_100000184570_200000047210 [0,0,0,0,0,0|2,0,2]=4 195 B13R0.2 CCCCC#CCCOC(C)CCC 34a_100000037610_100000766640 [0,0,0,0,0,0|1,0,3]=4 196 B13R0.2 CCCCC#CCCOC(C)CCC 7a_100000037610_100000766640 [0,0,0,0,0,0|1,0,3]=4 197 B13R0.2 CCCCC#CCOCC(=O)CCC 7a_200000034558_100000747444 [0,0,0,0,0,0|2,0,2]=4 198 B13R0.2 CCCCC/C=C/CCC(=O)CCC 1458a_200015255902_100000210303 [0,0,0,0,0,0|1,0,2]=3 199 B13R0.2 CCCCC/C=C/CCC(=O)CCF 1458a_200015255902_100011217306 [0,0,0,0,0,0|2,0,2]=4 200 B13R0.2 CCCCC/C=C/CCC(=O)CCO 1458a_200015255902_100000211926 [0,0,0,0,0,0|2,0,2]=4 201 B13R0.2 CCCCC/C=C/CCC(=O)NCC 11a_100015525214_200015255902 [0,0,0,0,0,0|2,0,2]=4 202 B13R0.2 CCCCC/C=C/CCC(=O)NCC 240690a_100015525214_200015255902 [0,0,0,0,0,0|2,0,2]=4 203 B13R0.2 CCCCC/C=C/CCC(=O)NCC 527a_100015525214_200015255902 [0,0,0,0,0,0|2,0,2]=4 204 B13R0.2 CCCCC/C=C/COC(C)CCC 34a_100016258190_100000766640 [0,0,0,0,0,0|1,0,3]=4 205 B13R0.2 CCCCC/C=C/COC(C)CCC 7a_100016258190_100000766640 [0,0,0,0,0,0|1,0,3]=4 206 B13R0.2 CCCCCC#CCOC(C)CCC 34a_100000764384_100009816472 [0,0,0,0,0,0|1,0,3]=4 207 B13R0.2 CCCCCC#CCOC(C)CCC 34a_200000033628_100000766640 [0,0,0,0,0,0|1,0,3]=4 208 B13R0.2 CCCCCC#CCOC(C)CCC 7a_100000764384_100009816472 [0,0,0,0,0,0|1,0,3]=4 209 B13R0.2 CCCCCC#CCOC(C)CCC 7a_200000033628_100000766640 [0,0,0,0,0,0|1,0,3]=4 210 B13R0.2 CCCCCC/C=C/CC(=O)CCC 1458a_100020681715_100000210303 [0,0,0,0,0,0|1,0,2]=3 211 B13R0.2 CCCCCC/C=C/CC(=O)CCF 1458a_100020681715_100011217306 [0,0,0,0,0,0|2,0,2]=4 212 B13R0.2 CCCCCC/C=C/CC(=O)CCO 1458a_100020681715_100000211926 [0,0,0,0,0,0|2,0,2]=4 213 B13R0.2 CCCCCC/C=C/CC(=O)NCC 11a_100015525214_100020681715 [0,0,0,0,0,0|2,0,2]=4 214 B13R0.2 CCCCCC/C=C/CC(=O)NCC 240690a_100015525214_100020681715 [0,0,0,0,0,0|2,0,2]=4 215 B13R0.2 CCCCCCC=NNC(=O)CCC 4a_100000189770_100000234349 [0,0,0,0,0,0|2,0,1]=3 216 B13R0.2 CCCCCCC=NNC(=O)COC 4a_100000216845_100000234349 [0,0,0,0,0,0|3,0,1]=4 217 B13R0.2 CCCCCCCC=CC(=O)CC#N 1458a_200015332781_100011214920 [0,0,0,0,0,0|2,0,2]=4 218 B13R0.2 CCCCCCCC=CC(=O)CCC 1458a_200015332781_100000210303 [0,0,0,0,0,0|1,0,1]=2 219 B13R0.2 CCCCCCCC=CC(=O)CCF 1458a_200015332781_100011217306 [0,0,0,0,0,0|2,0,1]=3 220 B13R0.2 CCCCCCCC=CC(=O)CCO 1458a_200015332781_100000211926 [0,0,0,0,0,0|2,0,1]=3 221 B13R0.2 CCCCCCCC=CC(=O)NCC 11a_100015525214_200015332781 [0,0,0,0,0,0|2,0,1]=3 222 B13R0.2 CCCCCCCC=CC(=O)NCC 240690a_100015525214_200015332781 [0,0,0,0,0,0|2,0,1]=3 223 B13R0.2 CCCCCCCC=CC(=O)NNC 22a_100016993582_200015332781 [0,0,0,0,0,0|3,0,1]=4 224 B13R0.2 CCCCCCCCCC(=O)C=CBr 1458a_100016273825_100000210670 [0,0,0,0,0,0|2,0,2]=4 225 B13R0.2 CCCCCCCCCC(=O)C=CCl 1458a_200016279998_100000210670 [0,0,0,0,0,0|2,0,2]=4 226 B13R0.2 CCCCCCCCCC(=O)C=CI 1458a_100016256311_100000210670 [0,0,0,0,0,0|2,0,2]=4 227 B13R0.2 CCCCCCCCCC(=O)CC#N 1458a_100000210558_100011214920 [0,0,0,0,0,0|2,0,1]=3 228 B13R0.2 CCCCCCCCCC(=O)CC#N 1458a_100051588842_100000210670 [0,0,0,0,0,0|2,0,1]=3 229 B13R0.2 CCCCCCCCCC(=O)CCC 1458a_100000210558_100000210303 [0,0,0,0,0,0|1,0,0]=1 230 B13R0.2 CCCCCCCCCC(=O)CCC 1458a_100000211992_100000210670 [0,0,0,0,0,0|1,0,0]=1 231 B13R0.2 CCCCCCCCCC(=O)CCF 1458a_100000210558_100011217306 [0,0,0,0,0,0|2,0,0]=2 232 B13R0.2 CCCCCCCCCC(=O)CCO 1458a_100000210558_100000211926 [0,0,0,0,0,0|2,0,0]=2 233 B13R0.2 CCCCCCCCCC(=O)CCO 1458a_100011216618_100000210670 [0,0,0,0,0,0|2,0,0]=2 234 B13R0.2 CCCCCCCCCC(=O)COC 1458a_100000210968_100000210670 [0,0,0,0,0,0|2,0,0]=2 235 B13R0.2 CCCCCCCCCC(=O)CSC 1458a_100000184570_100000210670 [0,0,0,0,0,0|2,0,0]=2 236 B13R0.2 CCCCCCCCCC(=O)NCC 11a_100015525214_100000210558 [0,0,0,0,0,0|2,0,0]=2 237 B13R0.2 CCCCCCCCCC(=O)NCC 240690a_100015525214_100000210558 [0,0,0,0,0,0|2,0,0]=2 238 B13R0.2 CCCCCCCCCC(=O)NCC 527a_100015525214_100000210558 [0,0,0,0,0,0|2,0,0]=2 239 B13R0.2 CCCCCCCCCC(=O)NNC 22a_100016993582_100000210558 [0,0,0,0,0,0|3,0,0]=3 240 B13R0.2 CCCCCCCCCC(C)CNC 270004a_106832991635_200011218516 [0,0,0,0,0,0|3,0,1]=4 241 B13R0.2 CCCCCCCCCC(C)NCC 270004a_100015525214_100011215753 [0,0,0,0,0,0|3,0,1]=4 242 B13R0.2 CCCCCCCCCC(C)OCC 34a_100011218016_100000210202 [0,0,0,0,0,0|3,0,1]=4 243 B13R0.2 CCCCCCCCCC(C)OCC 7a_100011218016_100000210202 [0,0,0,0,0,0|3,0,1]=4 244 B13R0.2 CCCCCCCCCN(C)CCC 2230a_100000232482_100000210303 [0,0,0,0,0,0|3,0,0]=3 245 B13R0.2 CCCCCCCCCN(C)CCC 2230a_100000747261_100011214924 [0,0,0,0,0,0|3,0,0]=3 246 B13R0.2 CCCCCCCCCN(C)CCC 269982a_100000232482_100000210303 [0,0,0,0,0,0|3,0,0]=3 247 B13R0.2 CCCCCCCCCN(C)CCC 269982a_100000747261_100000210670 [0,0,0,0,0,0|3,0,0]=3 248 B13R0.2 CCCCCCCCCN(C)CCF 2230a_100000232482_100011217306 [0,0,0,0,0,0|4,0,0]=4 249 B13R0.2 CCCCCCCCCN(C)CCF 269982a_100000232482_100011217306 [0,0,0,0,0,0|4,0,0]=4 250 B13R0.2 CCCCCCCCCN(C)CCO 2230a_100000210263_100011214924 [0,0,0,0,0,0|4,0,0]=4 251 B13R0.2 CCCCCCCCCN(C)CCO 2230a_100000232482_100000211926 [0,0,0,0,0,0|4,0,0]=4 252 B13R0.2 CCCCCCCCCN(C)CCO 269982a_100000210263_100000210670 [0,0,0,0,0,0|4,0,0]=4 253 B13R0.2 CCCCCCCCCN(C)CCO 269982a_100000232482_100000211926 [0,0,0,0,0,0|4,0,0]=4 254 B13R0.2 CCCCCCCCCN(C)COC 2230a_100000232482_100000766300 [0,0,0,0,0,0|4,0,0]=4 255 B13R0.2 CCCCCCCCCN(C)COC 269982a_100000232482_100000766300 [0,0,0,0,0,0|4,0,0]=4 256 B13R0.2 CCCCCCCCCN(C)CSC 2230a_100000232482_100011218213 [0,0,0,0,0,0|4,0,0]=4 257 B13R0.2 CCCCCCCCCN(C)CSC 269982a_100000232482_100011218213 [0,0,0,0,0,0|4,0,0]=4 258 B13R0.2 CCCCCCCCNC(=O)C=CBr 1626a_100000229939_100016273825 [0,0,0,0,0,0|2,0,2]=4 259 B13R0.2 CCCCCCCCNC(=O)C=CBr 240690a_100000229939_100016273825 [0,0,0,0,0,0|2,0,2]=4 260 B13R0.2 CCCCCCCCNC(=O)C=CCl 11a_100000229939_200016279998 [0,0,0,0,0,0|2,0,2]=4 261 B13R0.2 CCCCCCCCNC(=O)C=CCl 1626a_100000229939_200016279998 [0,0,0,0,0,0|2,0,2]=4 262 B13R0.2 CCCCCCCCNC(=O)C=CCl 240690a_100000229939_200016279998 [0,0,0,0,0,0|2,0,2]=4 263 B13R0.2 CCCCCCCCNC(=O)C=CI 1626a_100000229939_100016256311 [0,0,0,0,0,0|2,0,2]=4 264 B13R0.2 CCCCCCCCNC(=O)CC#N 1626a_100000229939_100051588842 [0,0,0,0,0,0|2,0,1]=3 265 B13R0.2 CCCCCCCCNC(=O)CC#N 240690a_100000229939_100051588842 [0,0,0,0,0,0|2,0,1]=3 266 B13R0.2 CCCCCCCCNC(=O)CCC 11a_100000229939_100000211992 [0,0,0,0,0,0|1,0,0]=1 267 B13R0.2 CCCCCCCCNC(=O)CCC 1626a_100000229939_100000211992 [0,0,0,0,0,0|1,0,0]=1 268 B13R0.2 CCCCCCCCNC(=O)CCC 240690a_100000229939_100000211992 [0,0,0,0,0,0|1,0,0]=1 269 B13R0.2 CCCCCCCCNC(=O)CCC 527a_100000229939_100000211992 [0,0,0,0,0,0|1,0,0]=1 270 B13R0.2 CCCCCCCCNC(=O)CCO 240690a_100000229939_100011216618 [0,0,0,0,0,0|2,0,0]=2 271 B13R0.2 CCCCCCCCNC(=O)COC 11a_100000229939_100000210968 [0,0,0,0,0,0|2,0,0]=2 272 B13R0.2 CCCCCCCCNC(=O)COC 1626a_100000229939_100000210968 [0,0,0,0,0,0|2,0,0]=2 273 B13R0.2 CCCCCCCCNC(=O)COC 240690a_100000229939_100000210968 [0,0,0,0,0,0|2,0,0]=2 274 B13R0.2 CCCCCCCCNC(=O)COC 527a_100000229939_100000210968 [0,0,0,0,0,0|2,0,0]=2 275 B13R0.2 CCCCCCCCNC(=O)CSC 11a_100000229939_100000184570 [0,0,0,0,0,0|2,0,0]=2 276 B13R0.2 CCCCCCCCNC(=O)CSC 1626a_100000229939_100000184570 [0,0,0,0,0,0|2,0,0]=2 277 B13R0.2 CCCCCCCCNC(=O)CSC 240690a_100000229939_100000184570 [0,0,0,0,0,0|2,0,0]=2 278 B13R0.2 CCCCCCCCNC(=O)CSC 527a_100000229939_100000184570 [0,0,0,0,0,0|2,0,0]=2 279 B13R0.2 CCCCCCCCNC(=O)NCC 2708a_100000229939_100015525214 [0,0,0,0,0,0|2,0,0]=2 280 B13R0.2 CCCCCCCCNC(=O)NCC 2708a_100015525214_100000229939 [0,0,0,0,0,0|2,0,0]=2 281 B13R0.2 CCCCCCCCNC(=O)NCC 273464a_100000229939_100015525214 [0,0,0,0,0,0|2,0,0]=2 282 B13R0.2 CCCCCCCCNC(=O)NCC 273464a_100015525214_100000229939 [0,0,0,0,0,0|2,0,0]=2 283 B13R0.2 CCCCCCCCNC(=O)NCC 512a_100000229939_100015525214 [0,0,0,0,0,0|2,0,0]=2 284 B13R0.2 CCCCCCCCNC(=O)NCC 512a_100015525214_100000229939 [0,0,0,0,0,0|2,0,0]=2 285 B13R0.2 CCCCCCCCNC(=O)NNC 273464a_100000229939_100016993582 [0,0,0,0,0,0|3,0,0]=3 286 B13R0.2 CCCCCCCCNC(=O)NNC 512a_100000229939_100016993582 [0,0,0,0,0,0|3,0,0]=3 287 B13R0.2 CCCCCCCCNC(=O)NNC 512a_100016993582_100000229939 [0,0,0,0,0,0|3,0,0]=3 288 B13R0.2 CCCCCCCCNC(C)CCC 2230a_100000229939_100000766640 [0,0,0,0,0,0|2,0,1]=3 289 B13R0.2 CCCCCCCCNC(C)CCC 2230a_100000741246_100000210759 [0,0,0,0,0,0|2,0,1]=3 290 B13R0.2 CCCCCCCCNC(C)CCC 270004a_100000229939_100000211909 [0,0,0,0,0,0|2,0,1]=3 291 B13R0.2 CCCCCCCCNC(C)CCC 34a_100000229939_100000766640 [0,0,0,0,0,0|2,0,1]=3 292 B13R0.2 CCCCCCCCNC(C)CCO 2230a_100000229939_100009893172 [0,0,0,0,0,0|3,0,1]=4 293 B13R0.2 CCCCCCCCNC(C)CCO 34a_100000229939_100009893172 [0,0,0,0,0,0|3,0,1]=4 294 B13R0.2 CCCCCCCCNC(C)COC 2230a_100000229939_100000765312 [0,0,0,0,0,0|3,0,1]=4 295 B13R0.2 CCCCCCCCNC(C)COC 270004a_100000229939_100000749346 [0,0,0,0,0,0|3,0,1]=4 296 B13R0.2 CCCCCCCCNC(C)COC 34a_100000229939_100000765312 [0,0,0,0,0,0|3,0,1]=4 297 B13R0.2 CCCCCCCCNC(C)CSC 270004a_100000229939_100011216314 [0,0,0,0,0,0|3,0,1]=4 298 B13R0.2 CCCCCCCCN[C@H](C)CCO 2230a_100000706166_100000210759 [0,0,0,0,0,0|3,0,1]=4 299 B13R0.2 CCCCCCCCN[C@H](C)CCO 34a_100000706166_100000210759 [0,0,0,0,0,0|3,0,1]=4 300 B13R0.2 CCCCCCCCN[C@H](C)COC 2230a_100000764878_100000210759 [0,0,0,0,0,0|3,0,1]=4 301 B13R0.2 CCCCCCCCOC(C)CC#N 7a_100000210232_100009813641 [0,0,0,0,0,0|2,0,2]=4 302 B13R0.2 CCCCCCCCOC(C)CCBr 34a_100012276601_100000210759 [0,0,0,0,0,0|2,0,1]=3 303 B13R0.2 CCCCCCCCOC(C)CCC 34a_100000210232_100000766640 [0,0,0,0,0,0|1,0,1]=2 304 B13R0.2 CCCCCCCCOC(C)CCC 34a_100000764384_100000210759 [0,0,0,0,0,0|1,0,1]=2 305 B13R0.2 CCCCCCCCOC(C)CCC 7a_100000210232_100000766640 [0,0,0,0,0,0|1,0,1]=2 306 B13R0.2 CCCCCCCCOC(C)CCC 7a_100000764384_100000210759 [0,0,0,0,0,0|1,0,1]=2 307 B13R0.2 CCCCCCCCOC(C)CCO 34a_100000210232_100009893172 [0,0,0,0,0,0|2,0,1]=3 308 B13R0.2 CCCCCCCCOC(C)CCO 7a_100000210232_100009893172 [0,0,0,0,0,0|2,0,1]=3 309 B13R0.2 CCCCCCCCOC(C)COC 34a_100000210232_100000765312 [0,0,0,0,0,0|2,0,1]=3 310 B13R0.2 CCCCCCCCOC(C)COC 7a_100000210232_100000765312 [0,0,0,0,0,0|2,0,1]=3 311 B13R0.2 CCCCCCCCO[C@H](C)COC 34a_100011934205_100000210759 [0,0,0,0,0,0|2,0,1]=3 312 B13R0.2 CCCCCCCCSC(C)CCC 62a_100000210759_100000766640 [0,0,0,0,0,0|1,1,1]=3 313 B13R0.2 CCCCCCCCSC(C)CCC 62a_100000766640_100000210317 [0,0,0,0,0,0|1,1,1]=3 314 B13R0.2 CCCCCCCCSC(C)CCO 62a_100000210759_100009893172 [0,0,0,0,0,0|2,1,1]=4 315 B13R0.2 CCCCCCCCSC(C)CCO 62a_100009893172_100000210317 [0,0,0,0,0,0|2,1,1]=4 316 B13R0.2 CCCCCCCCSC(C)COC 62a_100000210759_100000765312 [0,0,0,0,0,0|2,1,1]=4 317 B13R0.2 CCCCCCCCSC(C)COC 62a_100000765312_100000210317 [0,0,0,0,0,0|2,1,1]=4 318 B13R0.2 CCCCCCCNCC(=O)CCC 2230a_100000229938_100000747444 [0,0,0,0,0,0|2,0,0]=2 319 B13R0.2 CCCCCCCNCC(=O)NCC 2230a_100000229938_100000183381 [0,0,0,0,0,0|3,0,0]=3 320 B13R0.2 CCCCCCCNCC(=O)NCC 2230a_100016988866_100000210681 [0,0,0,0,0,0|3,0,0]=3 321 B13R0.2 CCCCCCCNCC(=O)NCO 2230a_100000229938_100000185155 [0,0,0,0,0,0|4,0,0]=4 322 B13R0.2 CCCCCCCNCC(=O)OCC 2230a_100000229938_100000188475 [0,0,0,0,0,0|3,0,0]=3 323 B13R0.2 CCCCCCCNCC(C)CCC 2230a_100000229938_100011216630 [0,0,0,0,0,0|3,0,1]=4 324 B13R0.2 CCCCCCCNCC(C)CCC 270004a_100000229938_100000243154 [0,0,0,0,0,0|3,0,1]=4 325 B13R0.2 CCCCCCCOCC(=O)CCC 7a_100000210272_100000747444 [0,0,0,0,0,0|2,0,0]=2 326 B13R0.2 CCCCCCCOCC(=O)NCC 34a_100000210272_100000183381 [0,0,0,0,0,0|3,0,0]=3 327 B13R0.2 CCCCCCCOCC(=O)NCC 7a_100000210272_100000183381 [0,0,0,0,0,0|3,0,0]=3 328 B13R0.2 CCCCCCCOCC(=O)NCO 34a_100000210272_100000185155 [0,0,0,0,0,0|4,0,0]=4 329 B13R0.2 CCCCCCCOCC(=O)NCO 7a_100000210272_100000185155 [0,0,0,0,0,0|4,0,0]=4 330 B13R0.2 CCCCCCCOCC(=O)OCC 34a_100000210272_100000188475 [0,0,0,0,0,0|3,0,0]=3 331 B13R0.2 CCCCCCCOCC(=O)OCC 7a_100000210272_100000188475 [0,0,0,0,0,0|3,0,0]=3 332 B13R0.2 CCCCCCCOCC(C)CCC 34a_100000210272_100011216630 [0,0,0,0,0,0|3,0,1]=4 333 B13R0.2 CCCCCCCOCC(C)CCC 34a_100000688023_100000210614 [0,0,0,0,0,0|3,0,1]=4 334 B13R0.2 CCCCCCCOCC(C)CCC 7a_100000210272_100011216630 [0,0,0,0,0,0|3,0,1]=4 335 B13R0.2 CCCCCCCOCC(C)CCC 7a_100000688023_100000210614 [0,0,0,0,0,0|3,0,1]=4 336 B13R0.2 CCCCCCCOC[C@@H](N)CCC 34a_100000732646_100000210614 [0,0,0,0,0,0|3,0,1]=4 337 B13R0.2 CCCCCCCSCC(=O)CCC 62a_100000210614_100000747444 [0,0,0,0,0,0|2,0,0]=2 338 B13R0.2 CCCCCCCSCC(=O)CCC 62a_100000747444_100000210316 [0,0,0,0,0,0|2,0,0]=2 339 B13R0.2 CCCCCCCSCC(=O)NCC 62a_100000183381_100000210316 [0,0,0,0,0,0|3,0,0]=3 340 B13R0.2 CCCCCCCSCC(=O)NCC 62a_100000210614_100000183381 [0,0,0,0,0,0|3,0,0]=3 341 B13R0.2 CCCCCCCSCC(=O)NCO 62a_100000185155_100000210316 [0,0,0,0,0,0|4,0,0]=4 342 B13R0.2 CCCCCCCSCC(=O)NCO 62a_100000210614_100000185155 [0,0,0,0,0,0|4,0,0]=4 343 B13R0.2 CCCCCCCSCC(=O)OCC 62a_100000188475_100000210316 [0,0,0,0,0,0|3,0,0]=3 344 B13R0.2 CCCCCCCSCC(=O)OCC 62a_100000210614_100000188475 [0,0,0,0,0,0|3,0,0]=3 345 B13R0.2 CCCCCCCSCC(C)CCC 62a_100000210614_100011216630 [0,0,0,0,0,0|3,0,1]=4 346 B13R0.2 CCCCCCCSCC(C)CCC 62a_100011216630_100000210316 [0,0,0,0,0,0|3,0,1]=4 347 B13R0.2 CCCCCCNCCC(=O)NCC 2230a_100000210581_100000737597 [0,0,0,0,0,0|3,0,0]=3 348 B13R0.2 CCCCCCNCCC(=O)NCC 34a_100025743525_100000210314 [0,0,0,0,0,0|3,0,0]=3 349 B13R0.2 CCCCCCNCCC(=O)OCC 2230a_100000210581_100011206558 [0,0,0,0,0,0|3,0,0]=3 350 B13R0.2 CCCCCCNCOC(=O)CCC 2230a_100000210581_100000034017 [0,0,0,0,0,0|1,0,0]=1 351 B13R0.2 CCCCCCOCCC(=O)NCC 7a_100000210259_100000737597 [0,0,0,0,0,0|3,0,0]=3 352 B13R0.2 CCCCCCOCCC(=O)OCC 34a_100000210259_100000765890 [0,0,0,0,0,0|3,0,0]=3 353 B13R0.2 CCCCCCOCCC(=O)OCC 7a_100000210259_100011206558 [0,0,0,0,0,0|3,0,0]=3 354 B13R0.2 CCCCCCOCCC(C)CCC 34a_100011217855_100000210314 [0,0,0,0,0,0|3,0,1]=4 355 B13R0.2 CCCCCCOCCC(C)CCC 7a_100011217855_100000210314 [0,0,0,0,0,0|3,0,1]=4 356 B13R0.2 CCCCCCOCC[C@@H](N)CCC 34a_100015193777_100000210314 [0,0,0,0,0,0|3,0,1]=4 357 B13R0.2 CCCCCCOCOC(=O)CCC 34a_100000210259_100000034017 [0,0,0,0,0,0|1,0,0]=1 358 B13R0.2 CCCCCCSCCC(=O)NCC 62a_100000210314_100000737597 [0,0,0,0,0,0|3,0,0]=3 359 B13R0.2 CCCCCCSCCC(=O)NCC 62a_100000737597_100000210757 [0,0,0,0,0,0|3,0,0]=3 360 B13R0.2 CCCCCCSCCC(=O)OCC 62a_100000210314_100000765890 [0,0,0,0,0,0|3,0,0]=3 361 B13R0.2 CCCCCCSCCC(=O)OCC 62a_100000765890_100000210757 [0,0,0,0,0,0|3,0,0]=3 362 B13R0.2 CCCCCCSCOC(=O)CCC 62a_100000210314_100000034017 [0,0,0,0,0,0|1,0,0]=1 363 B13R0.2 CCCCCCSCOC(=O)OCC 62a_100000210314_100000075025 [0,0,0,0,0,0|2,0,0]=2 364 B13R0.2 CCCCCNC/C=C/C(=O)OCC 2230a_100000209983_100016267167 [0,0,0,0,0,0|3,0,1]=4 365 B13R0.2 CCCCCNCCCC(=O)OCC 2230a_100000209983_100009991533 [0,0,0,0,0,0|3,0,0]=3 366 B13R0.2 CCCCCNCCOC(C)CCC 34a_100000224656_100000766640 [0,0,0,0,0,0|2,0,1]=3 367 B13R0.2 CCCCCNCCOC(C)CCO 34a_100000224656_100009893172 [0,0,0,0,0,0|3,0,1]=4 368 B13R0.2 CCCCCNCCOC(C)COC 34a_100000224656_100000765312 [0,0,0,0,0,0|3,0,1]=4 369 B13R0.2 CCCCCOC/C=C/C(=O)OCC 34a_100000210253_100016267167 [0,0,0,0,0,0|3,0,1]=4 370 B13R0.2 CCCCCOC/C=C/C(=O)OCC 7a_100000210253_100016267167 [0,0,0,0,0,0|3,0,1]=4 371 B13R0.2 CCCCCOCCCC(=O)OCC 34a_100000210253_100009991533 [0,0,0,0,0,0|3,0,0]=3 372 B13R0.2 CCCCCOCCCC(=O)OCC 7a_100000210253_100011215271 [0,0,0,0,0,0|3,0,0]=3 373 B13R0.2 CCCCCOCCCC(=O)OCC 7a_100012001163_100000210326 [0,0,0,0,0,0|3,0,0]=3 374 B13R0.2 CCCCCOCCCC(C)CCC 34a_100011713154_100000718602 [0,0,0,0,0,0|3,0,1]=4 375 B13R0.2 CCCCCOCCCC(C)CCC 7a_100011713154_100000210326 [0,0,0,0,0,0|3,0,1]=4 376 B13R0.2 CCCCCOCCNC(=O)OCC 34a_100000158857_100000718602 [0,0,0,0,0,0|3,0,0]=3 377 B13R0.2 CCCCCOCCNC(=O)OCC 7a_100000210253_200011445536 [0,0,0,0,0,0|3,0,0]=3 378 B13R0.2 CCCCCOCCOC(C)CCC 34a_100011215259_100000766640 [0,0,0,0,0,0|2,0,1]=3 379 B13R0.2 CCCCCOCCOC(C)CCC 7a_100011215259_100000766640 [0,0,0,0,0,0|2,0,1]=3 380 B13R0.2 CCCCCOCCOC(C)CCO 34a_100011215259_100009893172 [0,0,0,0,0,0|3,0,1]=4 381 B13R0.2 CCCCCOCCOC(C)CCO 7a_100011215259_100009893172 [0,0,0,0,0,0|3,0,1]=4 382 B13R0.2 CCCCCOCCOC(C)COC 34a_100011215259_100000765312 [0,0,0,0,0,0|3,0,1]=4 383 B13R0.2 CCCCCOCCOC(C)COC 7a_100011215259_100000765312 [0,0,0,0,0,0|3,0,1]=4 384 B13R0.2 CCCCCSC/C=C/C(=O)OCC 62a_100000210326_100016267167 [0,0,0,0,0,0|3,0,1]=4 385 B13R0.2 CCCCCSC/C=C/C(=O)OCC 62a_100016267167_100000210326 [0,0,0,0,0,0|3,0,1]=4 386 B13R0.2 CCCCCSCCCC(=O)OCC 62a_100000210326_100009991533 [0,0,0,0,0,0|3,0,0]=3 387 B13R0.2 CCCCCSCCCC(=O)OCC 62a_100009991533_100000210326 [0,0,0,0,0,0|3,0,0]=3 388 B13R0.2 CCCCCSCCNC(=O)OCC 62a_100000210326_200011445536 [0,0,0,0,0,0|3,0,0]=3 389 B13R0.2 CCCCNCCCCC(=O)OCC 2230a_100000102301_100000750268 [0,0,0,0,0,0|3,0,0]=3 390 B13R0.2 CCCCNCCCCC(=O)OCC 7a_106832991798_100000750268 [0,0,0,0,0,0|3,0,0]=3 391 B13R0.2 CCCCNCCOCC(=O)OCC 2230a_100000102301_100000088970 [0,0,0,0,0,0|4,0,0]=4 392 B13R0.2 CCCCNCCOCC(=O)OCC 7a_106832991798_100000088970 [0,0,0,0,0,0|4,0,0]=4 393 B13R0.2 CCCCOCCCCC(=O)OCC 34a_100000210227_100000750268 [0,0,0,0,0,0|3,0,0]=3 394 B13R0.2 CCCCOCCCCC(=O)OCC 7a_100000210227_100000750268 [0,0,0,0,0,0|3,0,0]=3 395 B13R0.2 CCCCOCCCNC(=O)CC#N 1626a_200000211371_100051588842 [0,0,0,0,0,0|3,0,1]=4 396 B13R0.2 CCCCOCCCNC(=O)CC#N 240690a_200000211371_100051588842 [0,0,0,0,0,0|3,0,1]=4 397 B13R0.2 CCCCOCCCNC(=O)CCC 1626a_200000211371_100000211992 [0,0,0,0,0,0|2,0,0]=2 398 B13R0.2 CCCCOCCCNC(=O)CCC 240690a_200000211371_100000211992 [0,0,0,0,0,0|2,0,0]=2 399 B13R0.2 CCCCOCCCNC(=O)CCC 527a_200000211371_100000211992 [0,0,0,0,0,0|2,0,0]=2 400 B13R0.2 CCCCOCCCNC(=O)CCO 240690a_200000211371_100011216618 [0,0,0,0,0,0|3,0,0]=3 401 B13R0.2 CCCCOCCCNC(=O)COC 1626a_200000211371_100000210968 [0,0,0,0,0,0|3,0,0]=3 402 B13R0.2 CCCCOCCCNC(=O)COC 240690a_200000211371_100000210968 [0,0,0,0,0,0|3,0,0]=3 403 B13R0.2 CCCCOCCCNC(=O)COC 527a_200000211371_100000210968 [0,0,0,0,0,0|3,0,0]=3 404 B13R0.2 CCCCOCCCNC(=O)CSC 1626a_200000211371_100000184570 [0,0,0,0,0,0|3,0,0]=3 405 B13R0.2 CCCCOCCCNC(=O)CSC 240690a_200000211371_100000184570 [0,0,0,0,0,0|3,0,0]=3 406 B13R0.2 CCCCOCCCNC(=O)CSC 527a_200000211371_100000184570 [0,0,0,0,0,0|3,0,0]=3 407 B13R0.2 CCCCOCCCNC(=O)NCC 2708a_100015525214_200000211371 [0,0,0,0,0,0|3,0,0]=3 408 B13R0.2 CCCCOCCCNC(=O)NCC 2708a_200000211371_100015525214 [0,0,0,0,0,0|3,0,0]=3 409 B13R0.2 CCCCOCCCNC(=O)NCC 273464a_100015525214_200000211371 [0,0,0,0,0,0|3,0,0]=3 410 B13R0.2 CCCCOCCCNC(=O)NCC 273464a_200000211371_100015525214 [0,0,0,0,0,0|3,0,0]=3 411 B13R0.2 CCCCOCCCNC(=O)NCC 512a_100015525214_200000211371 [0,0,0,0,0,0|3,0,0]=3 412 B13R0.2 CCCCOCCCNC(=O)NCC 512a_200000211371_100015525214 [0,0,0,0,0,0|3,0,0]=3 413 B13R0.2 CCCCOCCCNC(=O)NNC 273464a_200000211371_100016993582 [0,0,0,0,0,0|4,0,0]=4 414 B13R0.2 CCCCOCCCNC(=O)NNC 512a_100016993582_200000211371 [0,0,0,0,0,0|4,0,0]=4 415 B13R0.2 CCCCOCCCNC(=O)NNC 512a_200000211371_100016993582 [0,0,0,0,0,0|4,0,0]=4 416 B13R0.2 CCCCOCCCNC(C)CCC 2230a_200000211371_100000766640 [0,0,0,0,0,0|3,0,1]=4 417 B13R0.2 CCCCOCCCNC(C)CCC 270004a_200000211371_100000211909 [0,0,0,0,0,0|3,0,1]=4 418 B13R0.2 CCCCOCCCNC(C)CCC 34a_200000211371_100000766640 [0,0,0,0,0,0|3,0,1]=4 419 B13R0.2 CCCCOCCCOC(C)CCC 34a_200011215613_100000766640 [0,0,0,0,0,0|2,0,1]=3 420 B13R0.2 CCCCOCCCOC(C)CCC 7a_200011215613_100000766640 [0,0,0,0,0,0|2,0,1]=3 421 B13R0.2 CCCCOCCCOC(C)CCO 34a_200011215613_100009893172 [0,0,0,0,0,0|3,0,1]=4 422 B13R0.2 CCCCOCCCOC(C)CCO 7a_200011215613_100009893172 [0,0,0,0,0,0|3,0,1]=4 423 B13R0.2 CCCCOCCCOC(C)COC 34a_200011215613_100000765312 [0,0,0,0,0,0|3,0,1]=4 424 B13R0.2 CCCCOCCCOC(C)COC 7a_200011215613_100000765312 [0,0,0,0,0,0|3,0,1]=4 425 B13R0.2 CCCCOCCNCC(=O)NCC 2230a_100016988866_100000743108 [0,0,0,0,0,0|4,0,0]=4 426 B13R0.2 CCCCOCCOCC(=O)CCC 1458a_100011216887_100000210303 [0,0,0,0,0,0|3,0,0]=3 427 B13R0.2 CCCCOCCOCC(=O)CCC 7a_100000210238_100000747444 [0,0,0,0,0,0|3,0,0]=3 428 B13R0.2 CCCCOCCOCC(=O)CCF 1458a_100011216887_100011217306 [0,0,0,0,0,0|4,0,0]=4 429 B13R0.2 CCCCOCCOCC(=O)CCO 1458a_100011216887_100000211926 [0,0,0,0,0,0|4,0,0]=4 430 B13R0.2 CCCCOCCOCC(=O)NCC 11a_100015525214_100011216887 [0,0,0,0,0,0|4,0,0]=4 431 B13R0.2 CCCCOCCOCC(=O)NCC 240690a_100015525214_100011216887 [0,0,0,0,0,0|4,0,0]=4 432 B13R0.2 CCCCOCCOCC(=O)NCC 34a_100000210238_100000183381 [0,0,0,0,0,0|4,0,0]=4 433 B13R0.2 CCCCOCCOCC(=O)NCC 527a_100015525214_100011216887 [0,0,0,0,0,0|4,0,0]=4 434 B13R0.2 CCCCOCCOCC(=O)NCC 7a_100000210238_100000183381 [0,0,0,0,0,0|4,0,0]=4 435 B13R0.2 CCCCOCCOCC(=O)OCC 34a_100000210227_100000088970 [0,0,0,0,0,0|4,0,0]=4 436 B13R0.2 CCCCOCCOCC(=O)OCC 34a_100000210238_100000188475 [0,0,0,0,0,0|4,0,0]=4 437 B13R0.2 CCCCOCCOCC(=O)OCC 7a_100000210227_100000088970 [0,0,0,0,0,0|4,0,0]=4 438 B13R0.2 CCCCOCCOCC(=O)OCC 7a_100000210238_100000188475 [0,0,0,0,0,0|4,0,0]=4 439 B13R0.2 CCCCOCCSCC(=O)CCC 62a_100000743108_100000747444 [0,0,0,0,0,0|3,0,0]=3 440 B13R0.2 CCCCOCCSCC(=O)CCC 62a_100000747444_100000743108 [0,0,0,0,0,0|3,0,0]=3 441 B13R0.2 CCCCOCCSCC(=O)NCC 62a_100000183381_100000743108 [0,0,0,0,0,0|4,0,0]=4 442 B13R0.2 CCCCOCCSCC(=O)NCC 62a_100000743108_100000183381 [0,0,0,0,0,0|4,0,0]=4 443 B13R0.2 CCCCOCCSCC(=O)OCC 62a_100000188475_100000743108 [0,0,0,0,0,0|4,0,0]=4 444 B13R0.2 CCCCOCCSCC(=O)OCC 62a_100000743108_100000188475 [0,0,0,0,0,0|4,0,0]=4 445 B13R0.2 CCCCOCCSCC(=O)OCC 7a_200000230590_100000210211 [0,0,0,0,0,0|4,0,0]=4 446 B13R0.2 CCCCOCNCCC(=O)NCC 34a_100025743525_100011995733 [0,0,0,0,0,0|4,0,0]=4 447 B13R0.2 CCCCOCSCCC(=O)NCC 62a_100000737597_100011995733 [0,0,0,0,0,0|4,0,0]=4 448 B13R0.2 CCCCOCSCCC(=O)NCC 62a_100011995733_100000737597 [0,0,0,0,0,0|4,0,0]=4 449 B13R0.2 CCCCOCSCCC(=O)OCC 62a_100000765890_100011995733 [0,0,0,0,0,0|4,0,0]=4 450 B13R0.2 CCCCOCSCCC(=O)OCC 62a_100011995733_100000765890 [0,0,0,0,0,0|4,0,0]=4 451 B13R0.2 CCCCOCSCOC(=O)CCC 62a_100011995733_100000034017 [0,0,0,0,0,0|2,0,0]=2 452 B13R0.2 CCCCOCSCOC(=O)OCC 62a_100011995733_100000075025 [0,0,0,0,0,0|3,0,0]=3 453 B13R0.2 CCCCSCCCCC(=O)OCC 62a_100000210211_100000750268 [0,0,0,0,0,0|3,0,0]=3 454 B13R0.2 CCCCSCCCCC(=O)OCC 62a_100000750268_100000210210 [0,0,0,0,0,0|3,0,0]=3 455 B13R0.2 CCCCSCCNCC(=O)CCC 2230a_100025743550_100000747444 [0,0,0,0,0,0|3,0,0]=3 456 B13R0.2 CCCCSCCNCC(=O)NCC 2230a_100025743550_100000183381 [0,0,0,0,0,0|4,0,0]=4 457 B13R0.2 CCCCSCCNCC(=O)OCC 2230a_100025743550_100000188475 [0,0,0,0,0,0|4,0,0]=4 458 B13R0.2 CCCCSCCOCC(=O)CCC 7a_200000230436_100000747444 [0,0,0,0,0,0|3,0,0]=3 459 B13R0.2 CCCCSCCOCC(=O)NCC 34a_200000230436_100000183381 [0,0,0,0,0,0|4,0,0]=4 460 B13R0.2 CCCCSCCOCC(=O)NCC 7a_200000230436_100000183381 [0,0,0,0,0,0|4,0,0]=4 461 B13R0.2 CCCCSCCOCC(=O)OCC 34a_200000230436_100000188475 [0,0,0,0,0,0|4,0,0]=4 462 B13R0.2 CCCCSCCOCC(=O)OCC 62a_100000088970_100000210210 [0,0,0,0,0,0|4,0,0]=4 463 B13R0.2 CCCCSCCOCC(=O)OCC 62a_100000210211_100000088970 [0,0,0,0,0,0|4,0,0]=4 464 B13R0.2 CCCCSCCOCC(=O)OCC 7a_200000230436_100000188475 [0,0,0,0,0,0|4,0,0]=4 465 B13R0.2 CCCN(C)CCCCCCCCO 2230a_100000747261_100000033203 [0,0,0,0,0,0|4,0,0]=4 466 B13R0.2 CCCN(C)CCCCCCCCO 269982a_100000747261_100000033203 [0,0,0,0,0,0|4,0,0]=4 467 B13R0.2 CCCOCCCCCC(=O)OCC 34a_100000210258_100000755133 [0,0,0,0,0,0|3,0,0]=3 468 B13R0.2 CCCOCCCCCC(=O)OCC 7a_100011214988_100000210303 [0,0,0,0,0,0|3,0,0]=3 469 B13R0.2 CCCOCCCNCC(=O)CCC 2230a_100011217757_100000747444 [0,0,0,0,0,0|3,0,0]=3 470 B13R0.2 CCCOCCCNCC(=O)NCC 2230a_100011217757_100000183381 [0,0,0,0,0,0|4,0,0]=4 471 B13R0.2 CCCOCCCNCC(=O)NCC 34a_100011217757_100000183381 [0,0,0,0,0,0|4,0,0]=4 472 B13R0.2 CCCOCCCNCC(=O)OCC 2230a_100011217757_100000188475 [0,0,0,0,0,0|4,0,0]=4 473 B13R0.2 CCCOCCCNCC(=O)OCC 34a_100011217757_100000188475 [0,0,0,0,0,0|4,0,0]=4 474 B13R0.2 CCCOCCCOCC(=O)OCC 34a_100000210258_100009893628 [0,0,0,0,0,0|4,0,0]=4 475 B13R0.2 CCCOCCNCCC(=O)NCC 2230a_100161115042_100000737597 [0,0,0,0,0,0|4,0,0]=4 476 B13R0.2 CCCOCCNCCC(=O)NCC 34a_100025743525_100011215938 [0,0,0,0,0,0|4,0,0]=4 477 B13R0.2 CCCOCCNCCC(=O)OCC 2230a_100161115042_100011206558 [0,0,0,0,0,0|4,0,0]=4 478 B13R0.2 CCCOCCNCCC(=O)OCC 34a_100161115042_100000765890 [0,0,0,0,0,0|4,0,0]=4 479 B13R0.2 CCCOCCNCOC(=O)CCC 2230a_100161115042_100000034017 [0,0,0,0,0,0|2,0,0]=2 480 B13R0.2 CCCOCCNCOC(=O)CCC 34a_100161115042_100000034017 [0,0,0,0,0,0|2,0,0]=2 481 B13R0.2 CCCOCCOCCC(=O)NCC 7a_100000752267_100000737597 [0,0,0,0,0,0|4,0,0]=4 482 B13R0.2 CCCOCCOCCC(=O)OCC 34a_100000752267_100000765890 [0,0,0,0,0,0|4,0,0]=4 483 B13R0.2 CCCOCCOCCC(=O)OCC 7a_100000752267_100011206558 [0,0,0,0,0,0|4,0,0]=4 484 B13R0.2 CCCOCCOCOC(=O)CCC 34a_100000752267_100000034017 [0,0,0,0,0,0|2,0,0]=2 485 B13R0.2 CCCOCCSCCC(=O)NCC 62a_100000737597_100011215938 [0,0,0,0,0,0|4,0,0]=4 486 B13R0.2 CCCOCCSCCC(=O)NCC 62a_100011215938_100000737597 [0,0,0,0,0,0|4,0,0]=4 487 B13R0.2 CCCOCCSCCC(=O)OCC 62a_100000765890_100011215938 [0,0,0,0,0,0|4,0,0]=4 488 B13R0.2 CCCOCCSCCC(=O)OCC 62a_100011215938_100000765890 [0,0,0,0,0,0|4,0,0]=4 489 B13R0.2 CCCOCCSCOC(=O)CCC 62a_100011215938_100000034017 [0,0,0,0,0,0|2,0,0]=2 490 B13R0.2 CCCOCCSCOC(=O)OCC 62a_100011215938_100000075025 [0,0,0,0,0,0|3,0,0]=3 491 B13R0.2 CCCSCCCCCC(=O)OCC 62a_100000210303_100000755133 [0,0,0,0,0,0|3,0,0]=3 492 B13R0.2 CCCSCCCCCC(=O)OCC 62a_100000755133_100000210303 [0,0,0,0,0,0|3,0,0]=3 493 B13R0.2 CCCSCCCOCC(=O)OCC 62a_100000210303_100009893628 [0,0,0,0,0,0|4,0,0]=4 494 B13R0.2 CCCSCCCOCC(=O)OCC 62a_100009893628_100000210303 [0,0,0,0,0,0|4,0,0]=4 495 B13R0.2 CCCSCCNCCC(=O)NCC 2230a_100020603323_100000737597 [0,0,0,0,0,0|4,0,0]=4 496 B13R0.2 CCCSCCNCCC(=O)OCC 2230a_100020603323_100011206558 [0,0,0,0,0,0|4,0,0]=4 497 B13R0.2 CCCSCCNCOC(=O)CCC 2230a_100020603323_100000034017 [0,0,0,0,0,0|2,0,0]=2 498 B13R0.2 CCCSCCOCCC(=O)NCC 7a_200000230433_100000737597 [0,0,0,0,0,0|4,0,0]=4 499 B13R0.2 CCCSCCOCCC(=O)OCC 34a_200000230433_100000765890 [0,0,0,0,0,0|4,0,0]=4 500 B13R0.2 CCCSCCOCCC(=O)OCC 7a_200000230433_100011206558 [0,0,0,0,0,0|4,0,0]=4 501 B13R0.2 CCCSCCOCOC(=O)CCC 34a_200000230433_100000034017 [0,0,0,0,0,0|2,0,0]=2 502 B13R0.2 CCNC(=O)CCCCCCCCO 240690a_100015525214_100000015970 [0,0,0,0,0,0|3,0,0]=3 503 B13R0.2 CCNC(=O)CCNCCCCCF 34a_100025743525_100000729378 [0,0,0,0,0,0|4,0,0]=4 504 B13R0.2 CCNC(=O)CCNCCCCCO 2230a_100000762737_100000737597 [0,0,0,0,0,0|4,0,0]=4 505 B13R0.2 CCNC(=O)CCNCCCCCO 34a_100025743525_100000746330 [0,0,0,0,0,0|4,0,0]=4 506 B13R0.2 CCNC(=O)CCNCCCCOC 34a_100025743525_100000755781 [0,0,0,0,0,0|4,0,0]=4 507 B13R0.2 CCNC(=O)CCNCCCOCC 2230a_100000210961_100000737597 [0,0,0,0,0,0|4,0,0]=4 508 B13R0.2 CCNC(=O)CCNCCCOCC 34a_100025743525_100012232248 [0,0,0,0,0,0|4,0,0]=4 509 B13R0.2 CCNC(=O)CCOCCCCCBr 7a_100000746331_100000737597 [0,0,0,0,0,0|4,0,0]=4 510 B13R0.2 CCNC(=O)CCOCCCCCCl 7a_100000746330_100000737597 [0,0,0,0,0,0|4,0,0]=4 511 B13R0.2 CCNC(=O)CCOCCCCCI 7a_200012148887_100000737597 [0,0,0,0,0,0|4,0,0]=4 512 B13R0.2 CCNC(=O)CCOCCCCSC 7a_100011217163_100000737597 [0,0,0,0,0,0|4,0,0]=4 513 B13R0.2 CCNC(=O)CCOCCCOCC 7a_100000757476_100000737597 [0,0,0,0,0,0|4,0,0]=4 514 B13R0.2 CCNC(=O)CCOCCCSCC 7a_100011216438_100000737597 [0,0,0,0,0,0|4,0,0]=4 515 B13R0.2 CCNC(=O)CCSCCCCCF 62a_100000729378_100000737597 [0,0,0,0,0,0|4,0,0]=4 516 B13R0.2 CCNC(=O)CCSCCCCCF 62a_100000737597_100000729378 [0,0,0,0,0,0|4,0,0]=4 517 B13R0.2 CCNC(=O)CCSCCCCCO 62a_100000737597_100000746330 [0,0,0,0,0,0|4,0,0]=4 518 B13R0.2 CCNC(=O)CCSCCCCCO 62a_100000746330_100000737597 [0,0,0,0,0,0|4,0,0]=4 519 B13R0.2 CCNC(=O)CCSCCCCOC 62a_100000730899_100000737597 [0,0,0,0,0,0|4,0,0]=4 520 B13R0.2 CCNC(=O)CCSCCCCOC 62a_100000737597_100000730899 [0,0,0,0,0,0|4,0,0]=4 521 B13R0.2 CCNC(=O)CCSCCCOCC 62a_100000737597_100012232248 [0,0,0,0,0,0|4,0,0]=4 522 B13R0.2 CCNC(=O)CCSCCCOCC 62a_100012232248_100000737597 [0,0,0,0,0,0|4,0,0]=4 523 B13R0.2 CCNC(=O)CNCCCCCCF 2230a_100016988866_100015922095 [0,0,0,0,0,0|4,0,0]=4 524 B13R0.2 CCNC(=O)CNCCCCCCO 2230a_100000686447_100000183381 [0,0,0,0,0,0|4,0,0]=4 525 B13R0.2 CCNC(=O)CNCCCCCCO 2230a_100016988866_100000766143 [0,0,0,0,0,0|4,0,0]=4 526 B13R0.2 CCNC(=O)CNCCCCCCO 34a_100000686447_100000183381 [0,0,0,0,0,0|4,0,0]=4 527 B13R0.2 CCNC(=O)CNCCCCCOC 2230a_100000747528_100000183381 [0,0,0,0,0,0|4,0,0]=4 528 B13R0.2 CCNC(=O)CNCCCCCOC 34a_100000747528_100000183381 [0,0,0,0,0,0|4,0,0]=4 529 B13R0.2 CCNC(=O)COCCCCCCBr 34a_100011215345_100000183381 [0,0,0,0,0,0|4,0,0]=4 530 B13R0.2 CCNC(=O)COCCCCCCBr 7a_100011215345_100000183381 [0,0,0,0,0,0|4,0,0]=4 531 B13R0.2 CCNC(=O)COCCCCCCCl 34a_100000766143_100000183381 [0,0,0,0,0,0|4,0,0]=4 532 B13R0.2 CCNC(=O)COCCCCCCCl 7a_100000766143_100000183381 [0,0,0,0,0,0|4,0,0]=4 533 B13R0.2 CCNC(=O)COCCCCCCF 34a_100000732779_100000183381 [0,0,0,0,0,0|4,0,0]=4 534 B13R0.2 CCNC(=O)COCCCCCCF 7a_100000732779_100000183381 [0,0,0,0,0,0|4,0,0]=4 535 B13R0.2 CCNC(=O)COCCCCCCN 34a_100000686447_100000183381 [0,0,0,0,0,0|4,0,0]=4 536 B13R0.2 CCNC(=O)COCCCCCNC 34a_100000722520_100000183381 [0,0,0,0,0,0|4,0,0]=4 537 B13R0.2 CCNC(=O)CSCCCCCCF 62a_100000183381_100015922095 [0,0,0,0,0,0|4,0,0]=4 538 B13R0.2 CCNC(=O)CSCCCCCCF 62a_100015922095_100000183381 [0,0,0,0,0,0|4,0,0]=4 539 B13R0.2 CCNC(=O)CSCCCCCCO 62a_100000183381_100000766143 [0,0,0,0,0,0|4,0,0]=4 540 B13R0.2 CCNC(=O)CSCCCCCCO 62a_100000766143_100000183381 [0,0,0,0,0,0|4,0,0]=4 541 B13R0.2 CCNC(=O)NCCCCCCCO 2708a_100011996573_100015525214 [0,0,0,0,0,0|3,0,0]=3 542 B13R0.2 CCNC(=O)NCCCCCCCO 2708a_100015525214_100011996573 [0,0,0,0,0,0|3,0,0]=3 543 B13R0.2 CCNC(=O)NCCCCCCCO 273464a_100011996573_100015525214 [0,0,0,0,0,0|3,0,0]=3 544 B13R0.2 CCNC(=O)NCCCCCCCO 273464a_100015525214_100011996573 [0,0,0,0,0,0|3,0,0]=3 545 B13R0.2 CCNC(=O)NCCCCCCCO 512a_100011996573_100015525214 [0,0,0,0,0,0|3,0,0]=3 546 B13R0.2 CCNC(=O)NCCCCCCCO 512a_100015525214_100011996573 [0,0,0,0,0,0|3,0,0]=3 547 B13R0.2 CCNC(=O)NCCCOCCCO 2708a_100015525214_100011310245 [0,0,0,0,0,0|4,0,0]=4 548 B13R0.2 CCNC(=O)NCCCOCCCO 273464a_100011310245_100015525214 [0,0,0,0,0,0|4,0,0]=4 549 B13R0.2 CCNC(=O)NCCCOCCCO 273464a_100015525214_100011310245 [0,0,0,0,0,0|4,0,0]=4 550 B13R0.2 CCNC(=O)NCCCOCCOC 2708a_100000206027_100015525214 [0,0,0,0,0,0|4,0,0]=4 551 B13R0.2 CCNC(=O)NCCCOCCOC 2708a_100015525214_100000206027 [0,0,0,0,0,0|4,0,0]=4 552 B13R0.2 CCNC(=O)NCCCOCCOC 273464a_100000206027_100015525214 [0,0,0,0,0,0|4,0,0]=4 553 B13R0.2 CCNC(=O)NCCCOCCOC 273464a_100015525214_100000206027 [0,0,0,0,0,0|4,0,0]=4 554 B13R0.2 CCNC(=O)NCCOCCOCC 2708a_100015525214_100102712874 [0,0,0,0,0,0|4,0,0]=4 555 B13R0.2 CCNC(=O)NCCOCCOCC 2708a_100102712874_100015525214 [0,0,0,0,0,0|4,0,0]=4 556 B13R0.2 CCNC(=O)NCCOCCOCC 273464a_100015525214_100102712874 [0,0,0,0,0,0|4,0,0]=4 557 B13R0.2 CCNC(=O)NCCOCCOCC 273464a_100102712874_100015525214 [0,0,0,0,0,0|4,0,0]=4 558 B13R0.2 CCNC(=O)NCCOCCOCC 512a_100102712874_100015525214 [0,0,0,0,0,0|4,0,0]=4 559 B13R0.2 CCNCCCCCCC(=O)OCC 2230a_100015525214_100009814379 [0,0,0,0,0,0|3,0,0]=3 560 B13R0.2 CCOC(=O)CCCCCCCNC 2230a_106832991635_100009991516 [0,0,0,0,0,0|3,0,0]=3 561 B13R0.2 CCOC(=O)CCCCCCCNC 34a_100102657272_100009991516 [0,0,0,0,0,0|3,0,0]=3 562 B13R0.2 CCOC(=O)CCCCCCCNC 7a_106832991635_100009991516 [0,0,0,0,0,0|3,0,0]=3 563 B13R0.2 CCOC(=O)CCCCCCCOC 34a_100138415774_100009991516 [0,0,0,0,0,0|3,0,0]=3 564 B13R0.2 CCOC(=O)CCCCCCCSC 62a_200000210301_100009991516 [0,0,0,0,0,0|3,0,0]=3 565 B13R0.2 CCOC(=O)CCCCCCCS[13CH3] 62a_200025704644_100009991516 [0,0,0,0,0,0|3,0,0]=3 566 B13R0.2 CCOC(=O)CCCCCCSCC 62a_100000210202_100009814379 [0,0,0,0,0,0|3,0,0]=3 567 B13R0.2 CCOC(=O)CCCCCCSCF 62a_100015361967_100009814379 [0,0,0,0,0,0|4,0,0]=4 568 B13R0.2 CCOC(=O)CCCCCNCCF 34a_100000724931_100000755133 [0,0,0,0,0,0|4,0,0]=4 569 B13R0.2 CCOC(=O)CCCCCNCCO 2230a_100016997473_100000755133 [0,0,0,0,0,0|4,0,0]=4 570 B13R0.2 CCOC(=O)CCCCCNCCO 34a_100016990907_100000755133 [0,0,0,0,0,0|4,0,0]=4 571 B13R0.2 CCOC(=O)CCCCCOCCBr 34a_100000211926_100000755133 [0,0,0,0,0,0|4,0,0]=4 572 B13R0.2 CCOC(=O)CCCCCOCCF 7a_100011214988_100011217306 [0,0,0,0,0,0|4,0,0]=4 573 B13R0.2 CCOC(=O)CCCCCOCCN 34a_100000210304_100000755133 [0,0,0,0,0,0|4,0,0]=4 574 B13R0.2 CCOC(=O)CCCCCOCCO 7a_100011214988_100000211926 [0,0,0,0,0,0|4,0,0]=4 575 B13R0.2 CCOC(=O)CCCCCSCCF 62a_100000755133_100011217306 [0,0,0,0,0,0|4,0,0]=4 576 B13R0.2 CCOC(=O)CCCCCSCCF 62a_100011217306_100000755133 [0,0,0,0,0,0|4,0,0]=4 577 B13R0.2 CCOC(=O)CCCCCSCCO 62a_100000211926_100000755133 [0,0,0,0,0,0|4,0,0]=4 578 B13R0.2 CCOC(=O)CCCCCSCCO 62a_100000755133_100000211926 [0,0,0,0,0,0|4,0,0]=4 579 B13R0.2 CCOC(=O)CCCCCSCOC 62a_100000755133_100000766300 [0,0,0,0,0,0|4,0,0]=4 580 B13R0.2 CCOC(=O)CCCCCSCOC 62a_100000766300_100000755133 [0,0,0,0,0,0|4,0,0]=4 581 B13R0.2 CCOC(=O)CCCCCSCSC 62a_100000755133_100011218213 [0,0,0,0,0,0|4,0,0]=4 582 B13R0.2 CCOC(=O)CCCCCSCSC 62a_100011218213_100000755133 [0,0,0,0,0,0|4,0,0]=4 583 B13R0.2 CCOC(=O)CCCCNCCCF 2230a_100015189416_100000750268 [0,0,0,0,0,0|4,0,0]=4 584 B13R0.2 CCOC(=O)CCCCNCCCF 34a_100015189416_100000750268 [0,0,0,0,0,0|4,0,0]=4 585 B13R0.2 CCOC(=O)CCCCNCCOC 2230a_100000209980_100000750268 [0,0,0,0,0,0|4,0,0]=4 586 B13R0.2 CCOC(=O)CCCCNCCSC 2230a_100020590264_100000750268 [0,0,0,0,0,0|4,0,0]=4 587 B13R0.2 CCOC(=O)CCCCOCCCBr 34a_100011217188_100000750268 [0,0,0,0,0,0|4,0,0]=4 588 B13R0.2 CCOC(=O)CCCCOCCCCl 34a_100000230001_100000750268 [0,0,0,0,0,0|4,0,0]=4 589 B13R0.2 CCOC(=O)CCCCOCCCF 34a_100000759539_100000750268 [0,0,0,0,0,0|4,0,0]=4 590 B13R0.2 CCOC(=O)CCCCOCCCN 34a_100000182051_100000750268 [0,0,0,0,0,0|4,0,0]=4 591 B13R0.2 CCOC(=O)CCCCOCCOC 34a_100000210237_100000750268 [0,0,0,0,0,0|4,0,0]=4 592 B13R0.2 CCOC(=O)CCCCOCCSC 34a_100000230434_100000750268 [0,0,0,0,0,0|4,0,0]=4 593 B13R0.2 CCOC(=O)CCCCOCCSC 7a_100000230434_100000750268 [0,0,0,0,0,0|4,0,0]=4 594 B13R0.2 CCOC(=O)CCCCSCCCF 62a_100000750268_100011934791 [0,0,0,0,0,0|4,0,0]=4 595 B13R0.2 CCOC(=O)CCCCSCCCF 62a_100011934791_100000750268 [0,0,0,0,0,0|4,0,0]=4 596 B13R0.2 CCOC(=O)CCCCSCCCO 62a_100000750268_100011215043 [0,0,0,0,0,0|4,0,0]=4 597 B13R0.2 CCOC(=O)CCCCSCCCO 62a_100011215043_100000750268 [0,0,0,0,0,0|4,0,0]=4 598 B13R0.2 CCOC(=O)CCCCSCCOC 62a_100000233755_100000750268 [0,0,0,0,0,0|4,0,0]=4 599 B13R0.2 CCOC(=O)CCCCSCCOC 62a_100000750268_100000233755 [0,0,0,0,0,0|4,0,0]=4 600 B13R0.2 CCOC(=O)CCCCSCCSC 62a_100000212216_100000750268 [0,0,0,0,0,0|4,0,0]=4 601 B13R0.2 CCOC(=O)CCCCSCCSC 62a_100000750268_100000751147 [0,0,0,0,0,0|4,0,0]=4 602 B13R0.2 CCOC(=O)CCCNCCCCO 2230a_100000750430_100009991533 [0,0,0,0,0,0|4,0,0]=4 603 B13R0.2 CCOC(=O)CCCNCCCCO 34a_100000750430_100009991533 [0,0,0,0,0,0|4,0,0]=4 604 B13R0.2 CCOC(=O)CCCNCCCOC 34a_100150723488_100009991533 [0,0,0,0,0,0|4,0,0]=4 605 B13R0.2 CCOC(=O)CCCNCCCSC 2230a_100000749238_100009991533 [0,0,0,0,0,0|4,0,0]=4 606 B13R0.2 CCOC(=O)CCCNCCSCC 2230a_100000106463_100009991533 [0,0,0,0,0,0|4,0,0]=4 607 B13R0.2 CCOC(=O)CCCOCCCCBr 34a_100011216708_100009991533 [0,0,0,0,0,0|4,0,0]=4 608 B13R0.2 CCOC(=O)CCCOCCCCCl 34a_100000210776_100009991533 [0,0,0,0,0,0|4,0,0]=4 609 B13R0.2 CCOC(=O)CCCOCCCCCl 7a_100000210776_100011215271 [0,0,0,0,0,0|4,0,0]=4 610 B13R0.2 CCOC(=O)CCCOCCCCF 34a_100011995726_100009991533 [0,0,0,0,0,0|4,0,0]=4 611 B13R0.2 CCOC(=O)CCCOCCCCF 7a_100011995726_100011215271 [0,0,0,0,0,0|4,0,0]=4 612 B13R0.2 CCOC(=O)CCCOCCCCF 7a_100012001163_100000729493 [0,0,0,0,0,0|4,0,0]=4 613 B13R0.2 CCOC(=O)CCCOCCCCI 34a_200012148704_100009991533 [0,0,0,0,0,0|4,0,0]=4 614 B13R0.2 CCOC(=O)CCCOCCCCN 34a_100000750430_100009991533 [0,0,0,0,0,0|4,0,0]=4 615 B13R0.2 CCOC(=O)CCCOCCCCO 7a_100012001163_100000210776 [0,0,0,0,0,0|4,0,0]=4 616 B13R0.2 CCOC(=O)CCCOCCCNC 34a_100000213112_100009991533 [0,0,0,0,0,0|4,0,0]=4 617 B13R0.2 CCOC(=O)CCCOCCCOC 34a_100000740835_100009991533 [0,0,0,0,0,0|4,0,0]=4 618 B13R0.2 CCOC(=O)CCCOCCCOC 7a_100012001163_100000740836 [0,0,0,0,0,0|4,0,0]=4 619 B13R0.2 CCOC(=O)CCCOCCCSC 34a_100000690336_100009991533 [0,0,0,0,0,0|4,0,0]=4 620 B13R0.2 CCOC(=O)CCCOCCCSC 7a_100000690336_100011215271 [0,0,0,0,0,0|4,0,0]=4 621 B13R0.2 CCOC(=O)CCCOCCSCC 34a_100000212035_100009991533 [0,0,0,0,0,0|4,0,0]=4 622 B13R0.2 CCOC(=O)CCCOCCSCC 7a_100000212035_100011215271 [0,0,0,0,0,0|4,0,0]=4 623 B13R0.2 CCOC(=O)CCCOCCSCC 7a_100012001163_100000757381 [0,0,0,0,0,0|4,0,0]=4 624 B13R0.2 CCOC(=O)CCCSCCCCF 62a_100000729493_100009991533 [0,0,0,0,0,0|4,0,0]=4 625 B13R0.2 CCOC(=O)CCCSCCCCF 62a_100009991533_100000729493 [0,0,0,0,0,0|4,0,0]=4 626 B13R0.2 CCOC(=O)CCCSCCCCO 62a_100000210776_100009991533 [0,0,0,0,0,0|4,0,0]=4 627 B13R0.2 CCOC(=O)CCCSCCCCO 62a_100009991533_100000210776 [0,0,0,0,0,0|4,0,0]=4 628 B13R0.2 CCOC(=O)CCCSCCCOC 62a_100000709357_100009991533 [0,0,0,0,0,0|4,0,0]=4 629 B13R0.2 CCOC(=O)CCCSCCCOC 62a_100009991533_100000709357 [0,0,0,0,0,0|4,0,0]=4 630 B13R0.2 CCOC(=O)CCCSCCSCC 62a_100000757381_100009991533 [0,0,0,0,0,0|4,0,0]=4 631 B13R0.2 CCOC(=O)CCCSCCSCC 62a_100009991533_100000757381 [0,0,0,0,0,0|4,0,0]=4 632 B13R0.2 CCOC(=O)CCNCCCCCO 2230a_100000762737_100011206558 [0,0,0,0,0,0|4,0,0]=4 633 B13R0.2 CCOC(=O)CCNCCCCCO 34a_100000762737_100000765890 [0,0,0,0,0,0|4,0,0]=4 634 B13R0.2 CCOC(=O)CCOCCCCCBr 34a_100000746331_100000765890 [0,0,0,0,0,0|4,0,0]=4 635 B13R0.2 CCOC(=O)CCOCCCCCBr 7a_100000746331_100011206558 [0,0,0,0,0,0|4,0,0]=4 636 B13R0.2 CCOC(=O)CCOCCCCCCl 34a_100000746330_100000765890 [0,0,0,0,0,0|4,0,0]=4 637 B13R0.2 CCOC(=O)CCOCCCCCCl 7a_100000746330_100011206558 [0,0,0,0,0,0|4,0,0]=4 638 B13R0.2 CCOC(=O)CCOCCCCCI 34a_200012148887_100000765890 [0,0,0,0,0,0|4,0,0]=4 639 B13R0.2 CCOC(=O)CCOCCCCCI 7a_200012148887_100011206558 [0,0,0,0,0,0|4,0,0]=4 640 B13R0.2 CCOC(=O)CCOCCCCCN 34a_100000762737_100000765890 [0,0,0,0,0,0|4,0,0]=4 641 B13R0.2 CCOC(=O)CCOCCCCOC 34a_100000740925_100000765890 [0,0,0,0,0,0|4,0,0]=4 642 B13R0.2 CCOC(=O)CCOCCCCSC 34a_100011217163_100000765890 [0,0,0,0,0,0|4,0,0]=4 643 B13R0.2 CCOC(=O)CCOCCCCSC 7a_100011217163_100011206558 [0,0,0,0,0,0|4,0,0]=4 644 B13R0.2 CCOC(=O)CCOCCCSCC 34a_100011216438_100000765890 [0,0,0,0,0,0|4,0,0]=4 645 B13R0.2 CCOC(=O)CCOCCCSCC 7a_100011216438_100011206558 [0,0,0,0,0,0|4,0,0]=4 646 B13R0.2 CCOC(=O)CCSCCCCCF 62a_100000729378_100000765890 [0,0,0,0,0,0|4,0,0]=4 647 B13R0.2 CCOC(=O)CCSCCCCCF 62a_100000765890_100000729378 [0,0,0,0,0,0|4,0,0]=4 648 B13R0.2 CCOC(=O)CCSCCCCCO 62a_100000746330_100000765890 [0,0,0,0,0,0|4,0,0]=4 649 B13R0.2 CCOC(=O)CCSCCCCCO 62a_100000765890_100000746330 [0,0,0,0,0,0|4,0,0]=4 650 B13R0.2 CCOC(=O)CCSCCCCOC 62a_100000730899_100000765890 [0,0,0,0,0,0|4,0,0]=4 651 B13R0.2 CCOC(=O)CCSCCCCOC 62a_100000765890_100000730899 [0,0,0,0,0,0|4,0,0]=4 652 B13R0.2 CCOC(=O)CNCCCCCCO 2230a_100000686447_100000188475 [0,0,0,0,0,0|4,0,0]=4 653 B13R0.2 CCOC(=O)CNCCCCCCO 34a_100000686447_100000188475 [0,0,0,0,0,0|4,0,0]=4 654 B13R0.2 CCOC(=O)CNCCCCCOC 2230a_100000747528_100000188475 [0,0,0,0,0,0|4,0,0]=4 655 B13R0.2 CCOC(=O)CNCCCCCOC 34a_100000747528_100000188475 [0,0,0,0,0,0|4,0,0]=4 656 B13R0.2 CCOC(=O)COCCCCCCBr 34a_100011215345_100000188475 [0,0,0,0,0,0|4,0,0]=4 657 B13R0.2 CCOC(=O)COCCCCCCBr 7a_100011215345_100000188475 [0,0,0,0,0,0|4,0,0]=4 658 B13R0.2 CCOC(=O)COCCCCCCCl 34a_100000766143_100000188475 [0,0,0,0,0,0|4,0,0]=4 659 B13R0.2 CCOC(=O)COCCCCCCCl 7a_100000766143_100000188475 [0,0,0,0,0,0|4,0,0]=4 660 B13R0.2 CCOC(=O)COCCCCCCF 34a_100000732779_100000188475 [0,0,0,0,0,0|4,0,0]=4 661 B13R0.2 CCOC(=O)COCCCCCCF 7a_100000732779_100000188475 [0,0,0,0,0,0|4,0,0]=4 662 B13R0.2 CCOC(=O)COCCCCCCN 34a_100000686447_100000188475 [0,0,0,0,0,0|4,0,0]=4 663 B13R0.2 CCOC(=O)COCCCCCNC 34a_100000722520_100000188475 [0,0,0,0,0,0|4,0,0]=4 664 B13R0.2 CCOC(=O)CSCCCCCCF 62a_100000188475_100015922095 [0,0,0,0,0,0|4,0,0]=4 665 B13R0.2 CCOC(=O)CSCCCCCCF 62a_100015922095_100000188475 [0,0,0,0,0,0|4,0,0]=4 666 B13R0.2 CCOC(=O)CSCCCCCCO 62a_100000188475_100000766143 [0,0,0,0,0,0|4,0,0]=4 667 B13R0.2 CCOC(=O)CSCCCCCCO 62a_100000766143_100000188475 [0,0,0,0,0,0|4,0,0]=4 668 B13R0.2 CCOC(=O)NCCOCCCCCl 7a_100000210776_200011445536 [0,0,0,0,0,0|4,0,0]=4 669 B13R0.2 CCOC(=O)NCCOCCCCF 34a_100000158857_100000729493 [0,0,0,0,0,0|4,0,0]=4 670 B13R0.2 CCOC(=O)NCCOCCCCF 7a_100011995726_200011445536 [0,0,0,0,0,0|4,0,0]=4 671 B13R0.2 CCOC(=O)NCCOCCCCO 34a_100000158857_100011216708 [0,0,0,0,0,0|4,0,0]=4 672 B13R0.2 CCOC(=O)NCCOCCCOC 34a_100000158857_100000740836 [0,0,0,0,0,0|4,0,0]=4 673 B13R0.2 CCOC(=O)NCCOCCCSC 7a_100000690336_200011445536 [0,0,0,0,0,0|4,0,0]=4 674 B13R0.2 CCOC(=O)NCCOCCSCC 34a_100000158857_100000757381 [0,0,0,0,0,0|4,0,0]=4 675 B13R0.2 CCOC(=O)NCCOCCSCC 7a_100000212035_200011445536 [0,0,0,0,0,0|4,0,0]=4 676 B13R0.2 CCOC(=O)NCCSCCCCF 62a_100000729493_200011445536 [0,0,0,0,0,0|4,0,0]=4 677 B13R0.2 CCOC(=O)NCCSCCCCO 62a_100000210776_200011445536 [0,0,0,0,0,0|4,0,0]=4 678 B13R0.2 CCOC(=O)NCCSCCCOC 62a_100000709357_200011445536 [0,0,0,0,0,0|4,0,0]=4 679 B13R0.2 CCOC(=O)NCCSCCSCC 62a_100000757381_200011445536 [0,0,0,0,0,0|4,0,0]=4 680 B13R0.2 CCOC(=O)OCSCCCCC#N 62a_100011219923_100000075025 [0,0,0,0,0,0|3,0,1]=4 681 B13R0.2 CCOC(=O)OCSCCCCC=O 62a_100000139335_100000075025 [0,0,0,0,0,0|3,0,1]=4 682 B13R0.2 CCOC(=O)OCSCCCCCF 62a_100000729378_100000075025 [0,0,0,0,0,0|3,0,0]=3 683 B13R0.2 CCOC(=O)OCSCCCCCO 62a_100000746330_100000075025 [0,0,0,0,0,0|3,0,0]=3 684 B13R0.2 CCOC(=O)OCSCCCCOC 62a_100000730899_100000075025 [0,0,0,0,0,0|3,0,0]=3 685 B13R0.2 CCOC(=O)OCSCCOCCO 62a_100011215305_100000075025 [0,0,0,0,0,0|4,0,0]=4 686 B13R0.2 CCOC(=O)OCSCOCCOC 62a_100000231047_100000075025 [0,0,0,0,0,0|4,0,0]=4 687 B13R0.2 CCOCCCCCCC(=O)OCC 34a_100121572206_100009814379 [0,0,0,0,0,0|3,0,0]=3 688 B13R0.2 CCOCCCNCCC(=O)OCC 2230a_100000210961_100011206558 [0,0,0,0,0,0|4,0,0]=4 689 B13R0.2 CCOCCCNCCC(=O)OCC 34a_100000210961_100000765890 [0,0,0,0,0,0|4,0,0]=4 690 B13R0.2 CCOCCCOCCC(=O)OCC 34a_100000757476_100000765890 [0,0,0,0,0,0|4,0,0]=4 691 B13R0.2 CCOCCCOCCC(=O)OCC 7a_100000757476_100011206558 [0,0,0,0,0,0|4,0,0]=4 692 B13R0.2 CCOCCCSCCC(=O)OCC 62a_100000765890_100012232248 [0,0,0,0,0,0|4,0,0]=4 693 B13R0.2 CCOCCCSCCC(=O)OCC 62a_100012232248_100000765890 [0,0,0,0,0,0|4,0,0]=4 694 B13R0.2 CCOCCCSCOC(=O)OCC 62a_100012232248_100000075025 [0,0,0,0,0,0|3,0,0]=3 695 B13R0.2 CCOCCNCCCC(=O)OCC 2230a_102516460346_100009991533 [0,0,0,0,0,0|4,0,0]=4 696 B13R0.2 CCOCCNCCCC(=O)OCC 34a_102516460346_100009991533 [0,0,0,0,0,0|4,0,0]=4 697 B13R0.2 CCOCCOCCCC(=O)OCC 34a_100000210136_100009991533 [0,0,0,0,0,0|4,0,0]=4 698 B13R0.2 CCOCCOCCCC(=O)OCC 7a_100000210136_100011215271 [0,0,0,0,0,0|4,0,0]=4 699 B13R0.2 CCOCCOCCCC(=O)OCC 7a_100012001163_100011215890 [0,0,0,0,0,0|4,0,0]=4 700 B13R0.2 CCOCCOCCNC(=O)CCO 240690a_100102712874_100011216618 [0,0,0,0,0,0|4,0,0]=4 701 B13R0.2 CCOCCOCCNC(=O)COC 11a_100102712874_100000210968 [0,0,0,0,0,0|4,0,0]=4 702 B13R0.2 CCOCCOCCNC(=O)COC 1626a_100102712874_100000210968 [0,0,0,0,0,0|4,0,0]=4 703 B13R0.2 CCOCCOCCNC(=O)COC 240690a_100102712874_100000210968 [0,0,0,0,0,0|4,0,0]=4 704 B13R0.2 CCOCCOCCNC(=O)COC 527a_100102712874_100000210968 [0,0,0,0,0,0|4,0,0]=4 705 B13R0.2 CCOCCOCCNC(=O)CSC 11a_100102712874_100000184570 [0,0,0,0,0,0|4,0,0]=4 706 B13R0.2 CCOCCOCCNC(=O)CSC 1626a_100102712874_100000184570 [0,0,0,0,0,0|4,0,0]=4 707 B13R0.2 CCOCCOCCNC(=O)CSC 240690a_100102712874_100000184570 [0,0,0,0,0,0|4,0,0]=4 708 B13R0.2 CCOCCOCCNC(=O)CSC 527a_100102712874_100000184570 [0,0,0,0,0,0|4,0,0]=4 709 B13R0.2 CCOCCOCCNC(=O)OCC 34a_100000158857_100000210147 [0,0,0,0,0,0|4,0,0]=4 710 B13R0.2 CCOCCOCCNC(=O)OCC 7a_100000210136_200011445536 [0,0,0,0,0,0|4,0,0]=4 711 B13R0.2 CCOCCSCCCC(=O)OCC 62a_100000210147_100009991533 [0,0,0,0,0,0|4,0,0]=4 712 B13R0.2 CCOCCSCCCC(=O)OCC 62a_100009991533_100011215890 [0,0,0,0,0,0|4,0,0]=4 713 B13R0.2 CCOCCSCCNC(=O)OCC 62a_100000210147_200011445536 [0,0,0,0,0,0|4,0,0]=4 714 B13R0.2 CCOCSCCCCC(=O)OCC 62a_100000739092_100000750268 [0,0,0,0,0,0|4,0,0]=4 715 B13R0.2 CCOCSCCCCC(=O)OCC 62a_100000750268_100000739092 [0,0,0,0,0,0|4,0,0]=4 716 B13R0.2 CNNC(=O)CCCCCCCCO 22a_100016993582_100000015970 [0,0,0,0,0,0|4,0,0]=4 717 B13R0.2 CNNC(=O)NCCCCCCCO 273464a_100011996573_100016993582 [0,0,0,0,0,0|4,0,0]=4 718 B13R0.2 CNNC(=O)NCCCCCCCO 512a_100011996573_100016993582 [0,0,0,0,0,0|4,0,0]=4 719 B13R0.2 CNNC(=O)NCCCCCCCO 512a_100016993582_100011996573 [0,0,0,0,0,0|4,0,0]=4 720 B13R0.2 COCC(=O)CCCCCCCCO 1458a_100000210968_100000033203 [0,0,0,0,0,0|3,0,0]=3 721 B13R0.2 COCC(=O)NCCCCCCCO 240690a_100011996573_100000210968 [0,0,0,0,0,0|3,0,0]=3 722 B13R0.2 COCC(=O)NCCCOCCCO 240690a_100011310245_100000210968 [0,0,0,0,0,0|4,0,0]=4 723 B13R0.2 COCC(C)OCCCCCCCBr 34a_100000760002_100000765312 [0,0,0,0,0,0|3,0,1]=4 724 B13R0.2 COCC(C)OCCCCCCCBr 7a_100000760002_100000765312 [0,0,0,0,0,0|3,0,1]=4 725 B13R0.2 COCC(C)OCCCCCCCN 34a_100011996573_100000765312 [0,0,0,0,0,0|3,0,1]=4 726 B13R0.2 COCCCCCCOC(C)CCBr 34a_100012276601_100011998445 [0,0,0,0,0,0|3,0,1]=4 727 B13R0.2 COCCCCCCOC(C)CCO 34a_200012092642_100009893172 [0,0,0,0,0,0|3,0,1]=4 728 B13R0.2 COCCCCCCOC(C)CCO 7a_200012092642_100009893172 [0,0,0,0,0,0|3,0,1]=4 729 B13R0.2 COCCCCCCOC(C)COC 34a_200012092642_100000765312 [0,0,0,0,0,0|3,0,1]=4 730 B13R0.2 COCCCCCCOC(C)COC 7a_200012092642_100000765312 [0,0,0,0,0,0|3,0,1]=4 731 B13R0.2 COCCCCCCO[C@H](C)COC 34a_100011934205_100011998445 [0,0,0,0,0,0|3,0,1]=4 732 B13R0.2 COCCOCCCNC(=O)CCO 240690a_100000206027_100011216618 [0,0,0,0,0,0|4,0,0]=4 733 B13R0.2 COCCOCCCNC(=O)COC 1626a_100000206027_100000210968 [0,0,0,0,0,0|4,0,0]=4 734 B13R0.2 COCCOCCCNC(=O)COC 240690a_100000206027_100000210968 [0,0,0,0,0,0|4,0,0]=4 735 B13R0.2 COCCOCCCNC(=O)CSC 1626a_100000206027_100000184570 [0,0,0,0,0,0|4,0,0]=4 736 B13R0.2 COCCOCCCNC(=O)CSC 240690a_100000206027_100000184570 [0,0,0,0,0,0|4,0,0]=4 737 B13R0.2 COC[C@@H](C)OCCCCCCCO 34a_100011934205_100000760002 [0,0,0,0,0,0|3,0,1]=4 738 B13R0.2 CSCC(=O)CCCCCCCCO 1458a_100000184570_100000033203 [0,0,0,0,0,0|3,0,0]=3 739 B13R0.2 CSCC(=O)NCCCCCCCO 240690a_100011996573_100000184570 [0,0,0,0,0,0|3,0,0]=3 740 B13R0.2 CSCC(=O)NCCCOCCCO 240690a_100011310245_100000184570 [0,0,0,0,0,0|4,0,0]=4 741 B13R0.2 N#CCC(=O)CCCCCCCCO 1458a_100051588842_100000033203 [0,0,0,0,0,0|3,0,1]=4 742 B13R0.2 N#CCC(=O)NCCCCCCCO 240690a_100011996573_100051588842 [0,0,0,0,0,0|3,0,1]=4 743 B13R0.2 O=C(CCO)CCCCCCCCO 1458a_100011216618_100000033203 [0,0,0,0,0,0|3,0,0]=3 744 B13R0.2 O=C(CCO)NCCCCCCCO 240690a_100011996573_100011216618 [0,0,0,0,0,0|3,0,0]=3 745 B13R0.2 O=C(CCO)NCCCOCCCO 240690a_100011310245_100011216618 [0,0,0,0,0,0|4,0,0]=4 746 B12R0.1 C#CCC(=O)CCCCCCCC 1458a_100000210188_100000184674 [1,0,0,0,0,0|0,0,2]=3 747 B12R0.1 C#CCC(=O)CCCCCCCC 1458a_100011220946_100000210759 [1,0,0,0,0,0|0,0,2]=3 748 B12R0.1 C#CCC(=O)CCCCCCCO 1458a_100011219782_100000184674 [1,0,0,0,0,0|1,0,2]=4 749 B12R0.1 C#CCC(=O)CCCCCCCO 1458a_100011220946_100000760002 [1,0,0,0,0,0|1,0,2]=4 750 B12R0.1 C#CCC(=O)CCCCCCOC 1458a_100011220946_100011998445 [1,0,0,0,0,0|1,0,2]=4 751 B12R0.1 C#CCC(=O)NCCCCCCC 1626a_100000229938_100011220946 [1,0,0,0,0,0|1,0,2]=4 752 B12R0.1 C#CCC(=O)NCCCCCCC 527a_100000229938_100011220946 [1,0,0,0,0,0|1,0,2]=4 753 B12R0.1 C#CCCCCCCC(=O)CCC 1458a_100000034748_100000210303 [1,0,0,0,0,0|0,0,2]=3 754 B12R0.1 C#CCCCCCCC(=O)CCC 1458a_100000211992_100012276617 [1,0,0,0,0,0|0,0,2]=3 755 B12R0.1 C#CCCCCCCC(=O)CCF 1458a_100000034748_100011217306 [1,0,0,0,0,0|1,0,2]=4 756 B12R0.1 C#CCCCCCCC(=O)CCO 1458a_100000034748_100000211926 [1,0,0,0,0,0|1,0,2]=4 757 B12R0.1 C#CCCCCCCC(=O)CCO 1458a_100011216618_100012276617 [1,0,0,0,0,0|1,0,2]=4 758 B12R0.1 C#CCCCCCCC(=O)COC 1458a_100000210968_100012276617 [1,0,0,0,0,0|1,0,2]=4 759 B12R0.1 C#CCCCCCCC(=O)CSC 1458a_100000184570_100012276617 [1,0,0,0,0,0|1,0,2]=4 760 B12R0.1 C#CCCCCCCC(=O)NCC 11a_100015525214_100000034748 [1,0,0,0,0,0|1,0,2]=4 761 B12R0.1 C#CCCCCCCC(=O)NCC 240690a_100015525214_100000034748 [1,0,0,0,0,0|1,0,2]=4 762 B12R0.1 C#CCCCCCCC(=O)NCC 527a_100015525214_100000034748 [1,0,0,0,0,0|1,0,2]=4 763 B12R0.1 C#CCCCCNCC(=O)CCC 2230a_100000706060_100000747444 [1,0,0,0,0,0|1,0,2]=4 764 B12R0.1 C#CCCCCOCC(=O)CCC 7a_100000766709_100000747444 [1,0,0,0,0,0|1,0,2]=4 765 B12R0.1 C#CCCCCSCC(=O)CCC 62a_100000747444_100010269958 [1,0,0,0,0,0|1,0,2]=4 766 B12R0.1 C#CCCCCSCC(=O)CCC 62a_100010269958_100000747444 [1,0,0,0,0,0|1,0,2]=4 767 B12R0.1 C#CCCCNCOC(=O)CCC 34a_100000718082_100000034017 [1,0,0,0,0,0|1,0,2]=4 768 B12R0.1 C#CCCCOCOC(=O)CCC 34a_100000215630_100000034017 [1,0,0,0,0,0|1,0,2]=4 769 B12R0.1 C#CCCCSCOC(=O)CCC 62a_100011215417_100000034017 [1,0,0,0,0,0|1,0,2]=4 770 B12R0.1 C/C=C/CCOCOC(=O)CCC 34a_100016278192_100000034017 [1,0,0,0,0,0|1,0,2]=4 771 B12R0.1 C=CCC(=O)CCCCCCCC 1458a_100000210188_100000210623 [1,0,0,0,0,0|0,0,2]=3 772 B12R0.1 C=CCC(=O)CCCCCCCC 1458a_100000210193_100000210759 [1,0,0,0,0,0|0,0,2]=3 773 B12R0.1 C=CCC(=O)CCCCCCCO 1458a_100000210193_100000760002 [1,0,0,0,0,0|1,0,2]=4 774 B12R0.1 C=CCC(=O)CCCCCCCO 1458a_100011219782_100000210623 [1,0,0,0,0,0|1,0,2]=4 775 B12R0.1 C=CCC(=O)CCCCCCOC 1458a_100000210193_100011998445 [1,0,0,0,0,0|1,0,2]=4 776 B12R0.1 C=CCC(=O)NCCCCCCC 11a_100000229938_100000210193 [1,0,0,0,0,0|1,0,2]=4 777 B12R0.1 C=CCC(=O)NCCCCCCC 1626a_100000229938_100000210193 [1,0,0,0,0,0|1,0,2]=4 778 B12R0.1 C=CCC(=O)NCCCCCCC 240690a_100000229938_100000210193 [1,0,0,0,0,0|1,0,2]=4 779 B12R0.1 C=CCC(=O)NCCCCCCC 527a_100000229938_100000210193 [1,0,0,0,0,0|1,0,2]=4 780 B12R0.1 C=CCCCCCCC(=O)CCC 1458a_100000211992_100011215473 [1,0,0,0,0,0|0,0,2]=3 781 B12R0.1 C=CCCCCCCC(=O)CCC 1458a_100011809334_100000210303 [1,0,0,0,0,0|0,0,2]=3 782 B12R0.1 C=CCCCCCCC(=O)CCF 1458a_100011809334_100011217306 [1,0,0,0,0,0|1,0,2]=4 783 B12R0.1 C=CCCCCCCC(=O)CCO 1458a_100011216618_100011215473 [1,0,0,0,0,0|1,0,2]=4 784 B12R0.1 C=CCCCCCCC(=O)CCO 1458a_100011809334_100000211926 [1,0,0,0,0,0|1,0,2]=4 785 B12R0.1 C=CCCCCCCC(=O)COC 1458a_100000210968_100011215473 [1,0,0,0,0,0|1,0,2]=4 786 B12R0.1 C=CCCCCCCC(=O)CSC 1458a_100000184570_100011215473 [1,0,0,0,0,0|1,0,2]=4 787 B12R0.1 C=CCCCCCCC(=O)NCC 11a_100015525214_100011809334 [1,0,0,0,0,0|1,0,2]=4 788 B12R0.1 C=CCCCCCCC(=O)NCC 240690a_100015525214_100011809334 [1,0,0,0,0,0|1,0,2]=4 789 B12R0.1 C=CCCCCCCC(=O)NCC 527a_100015525214_100011809334 [1,0,0,0,0,0|1,0,2]=4 790 B12R0.1 C=CCCCCNCC(=O)CCC 2230a_100000703577_100000747444 [1,0,0,0,0,0|1,0,2]=4 791 B12R0.1 C=CCCCCOCC(=O)CCC 7a_100000766645_100000747444 [1,0,0,0,0,0|1,0,2]=4 792 B12R0.1 C=CCCCCSCC(=O)CCC 62a_100000747444_100011215482 [1,0,0,0,0,0|1,0,2]=4 793 B12R0.1 C=CCCCCSCC(=O)CCC 62a_100011215482_100000747444 [1,0,0,0,0,0|1,0,2]=4 794 B12R0.1 C=CCCCNCOC(=O)CCC 2230a_100000700776_100000034017 [1,0,0,0,0,0|1,0,2]=4 795 B12R0.1 C=CCCCNCOC(=O)CCC 34a_100000700776_100000034017 [1,0,0,0,0,0|1,0,2]=4 796 B12R0.1 C=CCCCOCOC(=O)CCC 34a_100000758997_100000034017 [1,0,0,0,0,0|1,0,2]=4 797 B12R0.1 C=CCCCSCOC(=O)CCC 62a_100011713584_100000034017 [1,0,0,0,0,0|1,0,2]=4 798 B12R0.1 CC#CC(=O)CCCCCCCC 1458a_100000763181_100000210759 [1,0,0,0,0,0|0,0,2]=3 799 B12R0.1 CC#CC(=O)CCCCCCCO 1458a_100000763181_100000760002 [1,0,0,0,0,0|1,0,2]=4 800 B12R0.1 CC#CC(=O)CCCCCCOC 1458a_100000763181_100011998445 [1,0,0,0,0,0|1,0,2]=4 801 B12R0.1 CC#CCCOCOC(=O)CCC 34a_100000750427_100000034017 [1,0,0,0,0,0|1,0,2]=4 802 B12R0.1 CC/C=C\CCOCC(=O)CCC 7a_100016288707_100000747444 [1,0,0,0,0,0|1,0,2]=4 803 B12R0.1 CC/C=C\CCSCC(=O)CCC 62a_100000747444_100015370543 [1,0,0,0,0,0|1,0,2]=4 804 B12R0.1 CC/C=C\CCSCC(=O)CCC 62a_100015370543_100000747444 [1,0,0,0,0,0|1,0,2]=4 805 B12R0.1 CC/C=C\COCOC(=O)CCC 34a_100016268518_100000034017 [1,0,0,0,0,0|1,0,2]=4 806 B12R0.1 CC/C=C\CSCOC(=O)CCC 62a_100103147603_100000034017 [1,0,0,0,0,0|1,0,2]=4 807 B12R0.1 CC=CC(=O)CCCCCCCC 1458a_100000210699_100000210759 [1,0,0,0,0,0|0,0,2]=3 808 B12R0.1 CC=CC(=O)CCCCCCCO 1458a_100000210699_100000760002 [1,0,0,0,0,0|1,0,2]=4 809 B12R0.1 CC=CC(=O)CCCCCCOC 1458a_100000210699_100011998445 [1,0,0,0,0,0|1,0,2]=4 810 B12R0.1 CC=CC(=O)NCCCCCCC 11a_100000229938_100000210699 [1,0,0,0,0,0|1,0,2]=4 811 B12R0.1 CC=CC(=O)NCCCCCCC 1626a_100000229938_100000210699 [1,0,0,0,0,0|1,0,2]=4 812 B12R0.1 CC=CC(=O)NCCCCCCC 240690a_100000229938_100000210699 [1,0,0,0,0,0|1,0,2]=4 813 B12R0.1 CCC#CCCOCC(=O)CCC 7a_100000036655_100000747444 [1,0,0,0,0,0|1,0,2]=4 814 B12R0.1 CCC#CCOCOC(=O)CCC 34a_100000032950_100000034017 [1,0,0,0,0,0|1,0,2]=4 815 B12R0.1 CCC#CCSCOC(=O)CCC 62a_100009813939_100000034017 [1,0,0,0,0,0|1,0,2]=4 816 B12R0.1 CCC/C=C/COCC(=O)CCC 7a_100016278788_100000747444 [1,0,0,0,0,0|1,0,2]=4 817 B12R0.1 CCCC#CCOCC(=O)CCC 7a_100000034806_100000747444 [1,0,0,0,0,0|1,0,2]=4 818 B12R0.1 CCCC(=O)CCCCCCC#N 1458a_100000211992_100009813337 [1,0,0,0,0,0|1,0,1]=3 819 B12R0.1 CCCC(=O)CCCCCCCO 1458a_100000211992_100000760002 [1,0,0,0,0,0|1,0,0]=2 820 B12R0.1 CCCC(=O)CCCCCCCO 1458a_100011219782_100000210303 [1,0,0,0,0,0|1,0,0]=2 821 B12R0.1 CCCC(=O)CCCCCCOC 1458a_100000211992_100011998445 [1,0,0,0,0,0|1,0,0]=2 822 B12R0.1 CCCC(=O)CCCCCN=[N+]=[N-] 1458a_100009870042_100000210303 [1,0,0,0,0,0|3,0,0]=4 823 B12R0.1 CCCC(=O)CCCOCCOC 1458a_100000211992_100011216529 [1,0,0,0,0,0|2,0,0]=3 824 B12R0.1 CCCC(=O)CCOCCOCC 1458a_100000211992_100011211534 [1,0,0,0,0,0|2,0,0]=3 825 B12R0.1 CCCC(=O)CNCCCCCO 2230a_100000762737_100000747444 [1,0,0,0,0,0|2,0,0]=3 826 B12R0.1 CCCC(=O)CNCCCOCC 2230a_100000210961_100000747444 [1,0,0,0,0,0|2,0,0]=3 827 B12R0.1 CCCC(=O)CNCCOCCO 2230a_100000211614_100000747444 [1,0,0,0,0,0|3,0,0]=4 828 B12R0.1 CCCC(=O)CNCCSCCO 2230a_100011219999_100000747444 [1,0,0,0,0,0|3,0,0]=4 829 B12R0.1 CCCC(=O)COCCCCCBr 7a_100000746331_100000747444 [1,0,0,0,0,0|2,0,0]=3 830 B12R0.1 CCCC(=O)COCCCCCCl 7a_100000746330_100000747444 [1,0,0,0,0,0|2,0,0]=3 831 B12R0.1 CCCC(=O)COCCCCCI 7a_200012148887_100000747444 [1,0,0,0,0,0|2,0,0]=3 832 B12R0.1 CCCC(=O)COCCCCSC 7a_100011217163_100000747444 [1,0,0,0,0,0|2,0,0]=3 833 B12R0.1 CCCC(=O)COCCCOCC 7a_100000757476_100000747444 [1,0,0,0,0,0|2,0,0]=3 834 B12R0.1 CCCC(=O)COCCCSCC 7a_100011216438_100000747444 [1,0,0,0,0,0|2,0,0]=3 835 B12R0.1 CCCC(=O)COCCOCCBr 7a_100000692535_100000747444 [1,0,0,0,0,0|3,0,0]=4 836 B12R0.1 CCCC(=O)COCCOCCCl 7a_100011215305_100000747444 [1,0,0,0,0,0|3,0,0]=4 837 B12R0.1 CCCC(=O)COCCOCCF 7a_200015357709_100000747444 [1,0,0,0,0,0|3,0,0]=4 838 B12R0.1 CCCC(=O)COCCOCCI 7a_100012149058_100000747444 [1,0,0,0,0,0|3,0,0]=4 839 B12R0.1 CCCC(=O)COCCOCCO 1458a_106645077154_100000210303 [1,0,0,0,0,0|3,0,0]=4 840 B12R0.1 CCCC(=O)CSCCCCC#N 62a_100000747444_100000211819 [1,0,0,0,0,0|2,0,1]=4 841 B12R0.1 CCCC(=O)CSCCCCC#N 62a_100011219923_100000747444 [1,0,0,0,0,0|2,0,1]=4 842 B12R0.1 CCCC(=O)CSCCCCC=O 62a_100000139335_100000747444 [1,0,0,0,0,0|2,0,1]=4 843 B12R0.1 CCCC(=O)CSCCCCC=O 62a_100000747444_100000139335 [1,0,0,0,0,0|2,0,1]=4 844 B12R0.1 CCCC(=O)CSCCCCCF 62a_100000729378_100000747444 [1,0,0,0,0,0|2,0,0]=3 845 B12R0.1 CCCC(=O)CSCCCCCF 62a_100000747444_100000729378 [1,0,0,0,0,0|2,0,0]=3 846 B12R0.1 CCCC(=O)CSCCCCCO 62a_100000746330_100000747444 [1,0,0,0,0,0|2,0,0]=3 847 B12R0.1 CCCC(=O)CSCCCCCO 62a_100000747444_100000746330 [1,0,0,0,0,0|2,0,0]=3 848 B12R0.1 CCCC(=O)CSCCCCOC 62a_100000730899_100000747444 [1,0,0,0,0,0|2,0,0]=3 849 B12R0.1 CCCC(=O)CSCCCCOC 62a_100000747444_100000730899 [1,0,0,0,0,0|2,0,0]=3 850 B12R0.1 CCCC(=O)CSCCCOCC 62a_100000747444_100012232248 [1,0,0,0,0,0|2,0,0]=3 851 B12R0.1 CCCC(=O)CSCCCOCC 62a_100012232248_100000747444 [1,0,0,0,0,0|2,0,0]=3 852 B12R0.1 CCCC(=O)CSCCOCCO 62a_100000747444_100011215305 [1,0,0,0,0,0|3,0,0]=4 853 B12R0.1 CCCC(=O)CSCCOCCO 62a_100011215305_100000747444 [1,0,0,0,0,0|3,0,0]=4 854 B12R0.1 CCCC(=O)CSCOCCOC 62a_100000231047_100000747444 [1,0,0,0,0,0|3,0,0]=4 855 B12R0.1 CCCC(=O)CSCOCCOC 62a_100000747444_100000231047 [1,0,0,0,0,0|3,0,0]=4 856 B12R0.1 CCCC(=O)NCCCCCC#N 11a_100000061152_100000211992 [1,0,0,0,0,0|2,0,1]=4 857 B12R0.1 CCCC(=O)NCCCCCC#N 1626a_100000061152_100000211992 [1,0,0,0,0,0|2,0,1]=4 858 B12R0.1 CCCC(=O)NCCCCCC#N 240690a_100000061152_100000211992 [1,0,0,0,0,0|2,0,1]=4 859 B12R0.1 CCCC(=O)NCCCCCC#N 527a_100000061152_100000211992 [1,0,0,0,0,0|2,0,1]=4 860 B12R0.1 CCCC(=O)NCCCCCCO 240690a_100000686447_100000211992 [1,0,0,0,0,0|2,0,0]=3 861 B12R0.1 CCCC(=O)NCCCCCCO 527a_100000686447_100000211992 [1,0,0,0,0,0|2,0,0]=3 862 B12R0.1 CCCC(=O)NCCCCCOC 11a_100000747528_100000211992 [1,0,0,0,0,0|2,0,0]=3 863 B12R0.1 CCCC(=O)NCCCCCOC 1626a_100000747528_100000211992 [1,0,0,0,0,0|2,0,0]=3 864 B12R0.1 CCCC(=O)NCCCCCOC 240690a_100000747528_100000211992 [1,0,0,0,0,0|2,0,0]=3 865 B12R0.1 CCCC(=O)NCCCCCOC 527a_100000747528_100000211992 [1,0,0,0,0,0|2,0,0]=3 866 B12R0.1 CCCC(=O)NCCOCCOC 11a_100000745349_100000211992 [1,0,0,0,0,0|3,0,0]=4 867 B12R0.1 CCCC(=O)NCCOCCOC 1626a_100000745349_100000211992 [1,0,0,0,0,0|3,0,0]=4 868 B12R0.1 CCCC(=O)NCCOCCOC 240690a_100000745349_100000211992 [1,0,0,0,0,0|3,0,0]=4 869 B12R0.1 CCCC(=O)NCCOCCOC 527a_100000745349_100000211992 [1,0,0,0,0,0|3,0,0]=4 870 B12R0.1 CCCC(=O)OCNCCCCO 2230a_100000750430_100000034017 [1,0,0,0,0,0|2,0,0]=3 871 B12R0.1 CCCC(=O)OCNCCCCO 34a_100000750430_100000034017 [1,0,0,0,0,0|2,0,0]=3 872 B12R0.1 CCCC(=O)OCNCCCOC 34a_100150723488_100000034017 [1,0,0,0,0,0|2,0,0]=3 873 B12R0.1 CCCC(=O)OCNCCCSC 2230a_100000749238_100000034017 [1,0,0,0,0,0|2,0,0]=3 874 B12R0.1 CCCC(=O)OCNCCOCC 2230a_102516460346_100000034017 [1,0,0,0,0,0|2,0,0]=3 875 B12R0.1 CCCC(=O)OCNCCOCC 34a_102516460346_100000034017 [1,0,0,0,0,0|2,0,0]=3 876 B12R0.1 CCCC(=O)OCNCCSCC 2230a_100000106463_100000034017 [1,0,0,0,0,0|2,0,0]=3 877 B12R0.1 CCCC(=O)OCOCCCCBr 34a_100011216708_100000034017 [1,0,0,0,0,0|2,0,0]=3 878 B12R0.1 CCCC(=O)OCOCCCCCl 34a_100000210776_100000034017 [1,0,0,0,0,0|2,0,0]=3 879 B12R0.1 CCCC(=O)OCOCCCCF 34a_100011995726_100000034017 [1,0,0,0,0,0|2,0,0]=3 880 B12R0.1 CCCC(=O)OCOCCCCI 34a_200012148704_100000034017 [1,0,0,0,0,0|2,0,0]=3 881 B12R0.1 CCCC(=O)OCOCCCCN 34a_100000750430_100000034017 [1,0,0,0,0,0|2,0,0]=3 882 B12R0.1 CCCC(=O)OCOCCCNC 34a_100000213112_100000034017 [1,0,0,0,0,0|2,0,0]=3 883 B12R0.1 CCCC(=O)OCOCCCOC 34a_100000740835_100000034017 [1,0,0,0,0,0|2,0,0]=3 884 B12R0.1 CCCC(=O)OCOCCCSC 34a_100000690336_100000034017 [1,0,0,0,0,0|2,0,0]=3 885 B12R0.1 CCCC(=O)OCOCCOCC 34a_100000210136_100000034017 [1,0,0,0,0,0|2,0,0]=3 886 B12R0.1 CCCC(=O)OCOCCSCC 34a_100000212035_100000034017 [1,0,0,0,0,0|2,0,0]=3 887 B12R0.1 CCCC(=O)OCSCCCC#N 62a_100000687738_100000034017 [1,0,0,0,0,0|2,0,1]=4 888 B12R0.1 CCCC(=O)OCSCCCC=O 62a_200011292268_100000034017 [1,0,0,0,0,0|2,0,1]=4 889 B12R0.1 CCCC(=O)OCSCCCCF 62a_100000729493_100000034017 [1,0,0,0,0,0|2,0,0]=3 890 B12R0.1 CCCC(=O)OCSCCCCO 62a_100000210776_100000034017 [1,0,0,0,0,0|2,0,0]=3 891 B12R0.1 CCCC(=O)OCSCCCOC 62a_100000709357_100000034017 [1,0,0,0,0,0|2,0,0]=3 892 B12R0.1 CCCC(=O)OCSCCOCC 62a_100000210147_100000034017 [1,0,0,0,0,0|2,0,0]=3 893 B12R0.1 CCCC(=O)OCSCCSCC 62a_100000757381_100000034017 [1,0,0,0,0,0|2,0,0]=3 894 B12R0.1 CCCC(C)OCCCCCCBr 34a_100011215345_100000766640 [1,0,0,0,0,0|2,0,1]=4 895 B12R0.1 CCCC(C)OCCCCCCBr 7a_100011215345_100000766640 [1,0,0,0,0,0|2,0,1]=4 896 B12R0.1 CCCC(C)OCCCCCCCl 34a_100000766143_100000766640 [1,0,0,0,0,0|2,0,1]=4 897 B12R0.1 CCCC(C)OCCCCCCCl 7a_100000766143_100000766640 [1,0,0,0,0,0|2,0,1]=4 898 B12R0.1 CCCC(C)OCCCCCCF 34a_100000732779_100000766640 [1,0,0,0,0,0|2,0,1]=4 899 B12R0.1 CCCC(C)OCCCCCCF 34a_100000764384_100015922095 [1,0,0,0,0,0|2,0,1]=4 900 B12R0.1 CCCC(C)OCCCCCCF 7a_100000732779_100000766640 [1,0,0,0,0,0|2,0,1]=4 901 B12R0.1 CCCC(C)OCCCCCCF 7a_100000764384_100015922095 [1,0,0,0,0,0|2,0,1]=4 902 B12R0.1 CCCC(C)OCCCCCCN 34a_100000686447_100000766640 [1,0,0,0,0,0|2,0,1]=4 903 B12R0.1 CCCC(C)OCCCCCCO 34a_100000764384_100000766143 [1,0,0,0,0,0|2,0,1]=4 904 B12R0.1 CCCC(C)OCCCCCCO 7a_100000764384_100000766143 [1,0,0,0,0,0|2,0,1]=4 905 B12R0.1 CCCC(C)OCCCCCNC 34a_100000722520_100000766640 [1,0,0,0,0,0|2,0,1]=4 906 B12R0.1 CCCCC/C=C/CC(=O)CCC 1458a_100020675968_100000210303 [1,0,0,0,0,0|0,0,2]=3 907 B12R0.1 CCCCC/C=C/CC(=O)CCF 1458a_100020675968_100011217306 [1,0,0,0,0,0|1,0,2]=4 908 B12R0.1 CCCCC/C=C/CC(=O)CCO 1458a_100020675968_100000211926 [1,0,0,0,0,0|1,0,2]=4 909 B12R0.1 CCCCC/C=C/CC(=O)NCC 11a_100015525214_100020675968 [1,0,0,0,0,0|1,0,2]=4 910 B12R0.1 CCCCC/C=C/CC(=O)NCC 240690a_100015525214_100020675968 [1,0,0,0,0,0|1,0,2]=4 911 B12R0.1 CCCCCC#CCC(=O)CCC 1458a_100000211992_100009816472 [1,0,0,0,0,0|0,0,2]=3 912 B12R0.1 CCCCCC#CCC(=O)CCO 1458a_100011216618_100009816472 [1,0,0,0,0,0|1,0,2]=4 913 B12R0.1 CCCCCC#CCC(=O)COC 1458a_100000210968_100009816472 [1,0,0,0,0,0|1,0,2]=4 914 B12R0.1 CCCCCC#CCC(=O)CSC 1458a_100000184570_100009816472 [1,0,0,0,0,0|1,0,2]=4 915 B12R0.1 CCCCCC=NNC(=O)CCC 4a_100000189770_100000737632 [1,0,0,0,0,0|2,0,1]=4 916 B12R0.1 CCCCCCC=CC(=O)CCC 1458a_200015324643_100000210303 [1,0,0,0,0,0|0,0,2]=3 917 B12R0.1 CCCCCCC=CC(=O)CCF 1458a_200015324643_100011217306 [1,0,0,0,0,0|1,0,2]=4 918 B12R0.1 CCCCCCC=CC(=O)CCO 1458a_200015324643_100000211926 [1,0,0,0,0,0|1,0,2]=4 919 B12R0.1 CCCCCCC=CC(=O)NCC 11a_100015525214_200015324643 [1,0,0,0,0,0|1,0,2]=4 920 B12R0.1 CCCCCCC=CC(=O)NCC 240690a_100015525214_200015324643 [1,0,0,0,0,0|1,0,2]=4 921 B12R0.1 CCCCCCCCC(=O)C=CBr 1458a_100016273825_100000210759 [1,0,0,0,0,0|1,0,2]=4 922 B12R0.1 CCCCCCCCC(=O)C=CCl 1458a_200016279998_100000210759 [1,0,0,0,0,0|1,0,2]=4 923 B12R0.1 CCCCCCCCC(=O)C=CI 1458a_100016256311_100000210759 [1,0,0,0,0,0|1,0,2]=4 924 B12R0.1 CCCCCCCCC(=O)CC#N 1458a_100000210188_100011214920 [1,0,0,0,0,0|1,0,1]=3 925 B12R0.1 CCCCCCCCC(=O)CC#N 1458a_100051588842_100000210759 [1,0,0,0,0,0|1,0,1]=3 926 B12R0.1 CCCCCCCCC(=O)CCC 1458a_100000210188_100000210303 [1,0,0,0,0,0|0,0,0]=1 927 B12R0.1 CCCCCCCCC(=O)CCC 1458a_100000211992_100000210759 [1,0,0,0,0,0|0,0,0]=1 928 B12R0.1 CCCCCCCCC(=O)CCF 1458a_100000210188_100011217306 [1,0,0,0,0,0|1,0,0]=2 929 B12R0.1 CCCCCCCCC(=O)CCO 1458a_100000210188_100000211926 [1,0,0,0,0,0|1,0,0]=2 930 B12R0.1 CCCCCCCCC(=O)CCO 1458a_100011216618_100000210759 [1,0,0,0,0,0|1,0,0]=2 931 B12R0.1 CCCCCCCCC(=O)COC 1458a_100000210968_100000210759 [1,0,0,0,0,0|1,0,0]=2 932 B12R0.1 CCCCCCCCC(=O)CSC 1458a_100000184570_100000210759 [1,0,0,0,0,0|1,0,0]=2 933 B12R0.1 CCCCCCCCC(=O)NCC 11a_100015525214_100000210188 [1,0,0,0,0,0|1,0,0]=2 934 B12R0.1 CCCCCCCCC(=O)NCC 240690a_100015525214_100000210188 [1,0,0,0,0,0|1,0,0]=2 935 B12R0.1 CCCCCCCCC(=O)NCC 527a_100015525214_100000210188 [1,0,0,0,0,0|1,0,0]=2 936 B12R0.1 CCCCCCCCC(=O)NNC 22a_100016993582_100000210188 [1,0,0,0,0,0|2,0,0]=3 937 B12R0.1 CCCCCCCCC(C)CNC 270004a_106832991635_100011995885 [1,0,0,0,0,0|2,0,1]=4 938 B12R0.1 CCCCCCCCC(C)COC 34a_200012125181_200000210301 [1,0,0,0,0,0|2,0,1]=4 939 B12R0.1 CCCCCCCCC(C)COC 7a_200012125181_200000210301 [1,0,0,0,0,0|2,0,1]=4 940 B12R0.1 CCCCCCCCC(C)CO[13CH3] 34a_200012125181_200025704644 [1,0,0,0,0,0|2,0,1]=4 941 B12R0.1 CCCCCCCCC(C)CO[13CH3] 7a_200012125181_200025704644 [1,0,0,0,0,0|2,0,1]=4 942 B12R0.1 CCCCCCCCC(C)NCC 270004a_100015525214_100011216694 [1,0,0,0,0,0|2,0,1]=4 943 B12R0.1 CCCCCCCCC(C)OCC 34a_100000210740_100000210202 [1,0,0,0,0,0|2,0,1]=4 944 B12R0.1 CCCCCCCCC(C)OCC 7a_100000210740_100000210202 [1,0,0,0,0,0|2,0,1]=4 945 B12R0.1 CCCCCCCCN(C)CCC 2230a_100000207567_100000210303 [1,0,0,0,0,0|2,0,0]=3 946 B12R0.1 CCCCCCCCN(C)CCC 2230a_100000747261_100000210759 [1,0,0,0,0,0|2,0,0]=3 947 B12R0.1 CCCCCCCCN(C)CCC 269982a_100000207567_100000210303 [1,0,0,0,0,0|2,0,0]=3 948 B12R0.1 CCCCCCCCN(C)CCC 269982a_100000747261_100000210759 [1,0,0,0,0,0|2,0,0]=3 949 B12R0.1 CCCCCCCCN(C)CCF 2230a_100000207567_100011217306 [1,0,0,0,0,0|3,0,0]=4 950 B12R0.1 CCCCCCCCN(C)CCF 269982a_100000207567_100011217306 [1,0,0,0,0,0|3,0,0]=4 951 B12R0.1 CCCCCCCCN(C)CCO 2230a_100000207567_100000211926 [1,0,0,0,0,0|3,0,0]=4 952 B12R0.1 CCCCCCCCN(C)CCO 2230a_100000210263_100000210759 [1,0,0,0,0,0|3,0,0]=4 953 B12R0.1 CCCCCCCCN(C)CCO 269982a_100000207567_100000211926 [1,0,0,0,0,0|3,0,0]=4 954 B12R0.1 CCCCCCCCN(C)CCO 269982a_100000210263_100000210759 [1,0,0,0,0,0|3,0,0]=4 955 B12R0.1 CCCCCCCCN(C)COC 2230a_100000207567_100000766300 [1,0,0,0,0,0|3,0,0]=4 956 B12R0.1 CCCCCCCCN(C)COC 269982a_100000207567_100000766300 [1,0,0,0,0,0|3,0,0]=4 957 B12R0.1 CCCCCCCCN(C)CSC 2230a_100000207567_100011218213 [1,0,0,0,0,0|3,0,0]=4 958 B12R0.1 CCCCCCCCN(C)CSC 269982a_100000207567_100011218213 [1,0,0,0,0,0|3,0,0]=4 959 B12R0.1 CCCCCCCNC(=O)CC#N 1626a_100000229938_100051588842 [1,0,0,0,0,0|2,0,1]=4 960 B12R0.1 CCCCCCCNC(=O)CC#N 240690a_100000229938_100051588842 [1,0,0,0,0,0|2,0,1]=4 961 B12R0.1 CCCCCCCNC(=O)CCC 11a_100000229938_100000211992 [1,0,0,0,0,0|1,0,0]=2 962 B12R0.1 CCCCCCCNC(=O)CCC 1626a_100000229938_100000211992 [1,0,0,0,0,0|1,0,0]=2 963 B12R0.1 CCCCCCCNC(=O)CCC 240690a_100000229938_100000211992 [1,0,0,0,0,0|1,0,0]=2 964 B12R0.1 CCCCCCCNC(=O)CCC 527a_100000229938_100000211992 [1,0,0,0,0,0|1,0,0]=2 965 B12R0.1 CCCCCCCNC(=O)CCO 240690a_100000229938_100011216618 [1,0,0,0,0,0|2,0,0]=3 966 B12R0.1 CCCCCCCNC(=O)COC 11a_100000229938_100000210968 [1,0,0,0,0,0|2,0,0]=3 967 B12R0.1 CCCCCCCNC(=O)COC 1626a_100000229938_100000210968 [1,0,0,0,0,0|2,0,0]=3 968 B12R0.1 CCCCCCCNC(=O)COC 240690a_100000229938_100000210968 [1,0,0,0,0,0|2,0,0]=3 969 B12R0.1 CCCCCCCNC(=O)COC 527a_100000229938_100000210968 [1,0,0,0,0,0|2,0,0]=3 970 B12R0.1 CCCCCCCNC(=O)CSC 11a_100000229938_100000184570 [1,0,0,0,0,0|2,0,0]=3 971 B12R0.1 CCCCCCCNC(=O)CSC 1626a_100000229938_100000184570 [1,0,0,0,0,0|2,0,0]=3 972 B12R0.1 CCCCCCCNC(=O)CSC 240690a_100000229938_100000184570 [1,0,0,0,0,0|2,0,0]=3 973 B12R0.1 CCCCCCCNC(=O)CSC 527a_100000229938_100000184570 [1,0,0,0,0,0|2,0,0]=3 974 B12R0.1 CCCCCCCNC(=O)NCC 2708a_100000229938_100015525214 [1,0,0,0,0,0|2,0,0]=3 975 B12R0.1 CCCCCCCNC(=O)NCC 2708a_100015525214_100000229938 [1,0,0,0,0,0|2,0,0]=3 976 B12R0.1 CCCCCCCNC(=O)NCC 273464a_100000229938_100015525214 [1,0,0,0,0,0|2,0,0]=3 977 B12R0.1 CCCCCCCNC(=O)NCC 273464a_100015525214_100000229938 [1,0,0,0,0,0|2,0,0]=3 978 B12R0.1 CCCCCCCNC(=O)NCC 512a_100000229938_100015525214 [1,0,0,0,0,0|2,0,0]=3 979 B12R0.1 CCCCCCCNC(=O)NCC 512a_100015525214_100000229938 [1,0,0,0,0,0|2,0,0]=3 980 B12R0.1 CCCCCCCNC(=O)NNC 273464a_100000229938_100016993582 [1,0,0,0,0,0|3,0,0]=4 981 B12R0.1 CCCCCCCNC(=O)NNC 512a_100000229938_100016993582 [1,0,0,0,0,0|3,0,0]=4 982 B12R0.1 CCCCCCCNC(=O)NNC 512a_100016993582_100000229938 [1,0,0,0,0,0|3,0,0]=4 983 B12R0.1 CCCCCCCNC(C)CCC 2230a_100000229938_100000766640 [1,0,0,0,0,0|2,0,1]=4 984 B12R0.1 CCCCCCCNC(C)CCC 2230a_100000741246_100000210681 [1,0,0,0,0,0|2,0,1]=4 985 B12R0.1 CCCCCCCNC(C)CCC 270004a_100000229938_100000211909 [1,0,0,0,0,0|2,0,1]=4 986 B12R0.1 CCCCCCCOC(C)CCBr 34a_100012276601_100000210614 [1,0,0,0,0,0|2,0,1]=4 987 B12R0.1 CCCCCCCOC(C)CCC 34a_100000210272_100000766640 [1,0,0,0,0,0|1,0,1]=3 988 B12R0.1 CCCCCCCOC(C)CCC 34a_100000764384_100000210614 [1,0,0,0,0,0|1,0,1]=3 989 B12R0.1 CCCCCCCOC(C)CCC 7a_100000210272_100000766640 [1,0,0,0,0,0|1,0,1]=3 990 B12R0.1 CCCCCCCOC(C)CCC 7a_100000764384_100000210614 [1,0,0,0,0,0|1,0,1]=3 991 B12R0.1 CCCCCCCOC(C)CCO 34a_100000210272_100009893172 [1,0,0,0,0,0|2,0,1]=4 992 B12R0.1 CCCCCCCOC(C)CCO 7a_100000210272_100009893172 [1,0,0,0,0,0|2,0,1]=4 993 B12R0.1 CCCCCCCOC(C)COC 34a_100000210272_100000765312 [1,0,0,0,0,0|2,0,1]=4 994 B12R0.1 CCCCCCCOC(C)COC 7a_100000210272_100000765312 [1,0,0,0,0,0|2,0,1]=4 995 B12R0.1 CCCCCCCO[C@H](C)COC 34a_100011934205_100000210614 [1,0,0,0,0,0|2,0,1]=4 996 B12R0.1 CCCCCCCSC(C)CCC 62a_100000210614_100000766640 [1,0,0,0,0,0|1,1,1]=4 997 B12R0.1 CCCCCCCSC(C)CCC 62a_100000766640_100000210316 [1,0,0,0,0,0|1,1,1]=4 998 B12R0.1 CCCCCCNCC(=O)CCC 2230a_100000210581_100000747444 [1,0,0,0,0,0|1,0,0]=2 999 B12R0.1 CCCCCCNCC(=O)NCC 2230a_100000210581_100000183381 [1,0,0,0,0,0|2,0,0]=3 1000 B12R0.1 CCCCCCNCC(=O)NCC 2230a_100016988866_100000210314 [1,0,0,0,0,0|2,0,0]=3 1001 B12R0.1 CCCCCCNCC(=O)NCO 2230a_100000210581_100000185155 [1,0,0,0,0,0|3,0,0]=4 1002 B12R0.1 CCCCCCNCC(=O)OCC 2230a_100000210581_100000188475 [1,0,0,0,0,0|2,0,0]=3 1003 B12R0.1 CCCCCCNCC(C)CCC 2230a_100000210581_100011216630 [1,0,0,0,0,0|2,0,1]=4 1004 B12R0.1 CCCCCCNCC(C)CCC 270004a_100000210581_100000243154 [1,0,0,0,0,0|2,0,1]=4 1005 B12R0.1 CCCCCCOCC(=O)CCC 7a_100000210259_100000747444 [1,0,0,0,0,0|1,0,0]=2 1006 B12R0.1 CCCCCCOCC(=O)NCC 34a_100000210259_100000183381 [1,0,0,0,0,0|2,0,0]=3 1007 B12R0.1 CCCCCCOCC(=O)NCC 7a_100000210259_100000183381 [1,0,0,0,0,0|2,0,0]=3 1008 B12R0.1 CCCCCCOCC(=O)NCO 34a_100000210259_100000185155 [1,0,0,0,0,0|3,0,0]=4 1009 B12R0.1 CCCCCCOCC(=O)NCO 7a_100000210259_100000185155 [1,0,0,0,0,0|3,0,0]=4 1010 B12R0.1 CCCCCCOCC(=O)OCC 34a_100000210259_100000188475 [1,0,0,0,0,0|2,0,0]=3 1011 B12R0.1 CCCCCCOCC(=O)OCC 7a_100000210259_100000188475 [1,0,0,0,0,0|2,0,0]=3 1012 B12R0.1 CCCCCCOCC(C)CCC 34a_100000210259_100011216630 [1,0,0,0,0,0|2,0,1]=4 1013 B12R0.1 CCCCCCOCC(C)CCC 34a_100000688023_100000210314 [1,0,0,0,0,0|2,0,1]=4 1014 B12R0.1 CCCCCCOCC(C)CCC 7a_100000210259_100011216630 [1,0,0,0,0,0|2,0,1]=4 1015 B12R0.1 CCCCCCOCC(C)CCC 7a_100000688023_100000210314 [1,0,0,0,0,0|2,0,1]=4 1016 B12R0.1 CCCCCCOC[C@@H](N)CCC 34a_100000732646_100000210314 [1,0,0,0,0,0|2,0,1]=4 1017 B12R0.1 CCCCCCSCC(=O)CCC 62a_100000210314_100000747444 [1,0,0,0,0,0|1,0,0]=2 1018 B12R0.1 CCCCCCSCC(=O)CCC 62a_100000747444_100000210757 [1,0,0,0,0,0|1,0,0]=2 1019 B12R0.1 CCCCCCSCC(=O)NCC 62a_100000183381_100000210757 [1,0,0,0,0,0|2,0,0]=3 1020 B12R0.1 CCCCCCSCC(=O)NCC 62a_100000210314_100000183381 [1,0,0,0,0,0|2,0,0]=3 1021 B12R0.1 CCCCCCSCC(=O)NCO 62a_100000185155_100000210757 [1,0,0,0,0,0|3,0,0]=4 1022 B12R0.1 CCCCCCSCC(=O)NCO 62a_100000210314_100000185155 [1,0,0,0,0,0|3,0,0]=4 1023 B12R0.1 CCCCCCSCC(=O)OCC 62a_100000188475_100000210757 [1,0,0,0,0,0|2,0,0]=3 1024 B12R0.1 CCCCCCSCC(=O)OCC 62a_100000210314_100000188475 [1,0,0,0,0,0|2,0,0]=3 1025 B12R0.1 CCCCCCSCC(C)CCC 62a_100000210314_100011216630 [1,0,0,0,0,0|2,0,1]=4 1026 B12R0.1 CCCCCCSCC(C)CCC 62a_100011216630_100000210757 [1,0,0,0,0,0|2,0,1]=4 1027 B12R0.1 CCCCCNCCC(=O)NCC 2230a_100000209983_100000737597 [1,0,0,0,0,0|2,0,0]=3 1028 B12R0.1 CCCCCNCCC(=O)NCC 34a_100025743525_100000718602 [1,0,0,0,0,0|2,0,0]=3 1029 B12R0.1 CCCCCNCCC(=O)OCC 2230a_100000209983_100011206558 [1,0,0,0,0,0|2,0,0]=3 1030 B12R0.1 CCCCCNCOC(=O)CCC 2230a_100000209983_100000034017 [1,0,0,0,0,0|1,0,0]=2 1031 B12R0.1 CCCCCOCCC(=O)NCC 7a_100000210253_100000737597 [1,0,0,0,0,0|2,0,0]=3 1032 B12R0.1 CCCCCOCCC(=O)OCC 34a_100000210253_100000765890 [1,0,0,0,0,0|2,0,0]=3 1033 B12R0.1 CCCCCOCCC(=O)OCC 7a_100000210253_100011206558 [1,0,0,0,0,0|2,0,0]=3 1034 B12R0.1 CCCCCOCCC(C)CCC 34a_100011217855_100000718602 [1,0,0,0,0,0|2,0,1]=4 1035 B12R0.1 CCCCCOCCC(C)CCC 7a_100011217855_100000210326 [1,0,0,0,0,0|2,0,1]=4 1036 B12R0.1 CCCCCOCC[C@@H](N)CCC 34a_100015193777_100000718602 [1,0,0,0,0,0|2,0,1]=4 1037 B12R0.1 CCCCCOCOC(=O)CCC 34a_100000210253_100000034017 [1,0,0,0,0,0|1,0,0]=2 1038 B12R0.1 CCCCCSCCC(=O)NCC 62a_100000210326_100000737597 [1,0,0,0,0,0|2,0,0]=3 1039 B12R0.1 CCCCCSCCC(=O)NCC 62a_100000737597_100000210326 [1,0,0,0,0,0|2,0,0]=3 1040 B12R0.1 CCCCCSCCC(=O)OCC 62a_100000210326_100000765890 [1,0,0,0,0,0|2,0,0]=3 1041 B12R0.1 CCCCCSCCC(=O)OCC 62a_100000765890_100000210326 [1,0,0,0,0,0|2,0,0]=3 1042 B12R0.1 CCCCCSCOC(=O)CCC 62a_100000210326_100000034017 [1,0,0,0,0,0|1,0,0]=2 1043 B12R0.1 CCCCCSCOC(=O)OCC 62a_100000210326_100000075025 [1,0,0,0,0,0|2,0,0]=3 1044 B12R0.1 CCCCNCCCC(=O)OCC 2230a_100000102301_100009991533 [1,0,0,0,0,0|2,0,0]=3 1045 B12R0.1 CCCCNCCCC(=O)OCC 7a_106832991798_100011215271 [1,0,0,0,0,0|2,0,0]=3 1046 B12R0.1 CCCCNCCNC(=O)OCC 7a_106832991798_200011445536 [1,0,0,0,0,0|3,0,0]=4 1047 B12R0.1 CCCCOCCCC(=O)OCC 34a_100000210227_100009991533 [1,0,0,0,0,0|2,0,0]=3 1048 B12R0.1 CCCCOCCCC(=O)OCC 7a_100000210227_100011215271 [1,0,0,0,0,0|2,0,0]=3 1049 B12R0.1 CCCCOCCCC(=O)OCC 7a_100012001163_100000210211 [1,0,0,0,0,0|2,0,0]=3 1050 B12R0.1 CCCCOCCCC(C)CCC 34a_100011713154_100000210210 [1,0,0,0,0,0|2,0,1]=4 1051 B12R0.1 CCCCOCCCC(C)CCC 7a_100011713154_100000210211 [1,0,0,0,0,0|2,0,1]=4 1052 B12R0.1 CCCCOCCNC(=O)OCC 34a_100000158857_100000210210 [1,0,0,0,0,0|3,0,0]=4 1053 B12R0.1 CCCCOCCNC(=O)OCC 7a_100000210227_200011445536 [1,0,0,0,0,0|3,0,0]=4 1054 B12R0.1 CCCCOCCOC(C)CCC 34a_100000210238_100000766640 [1,0,0,0,0,0|2,0,1]=4 1055 B12R0.1 CCCCOCCOC(C)CCC 34a_100000764384_100000743108 [1,0,0,0,0,0|2,0,1]=4 1056 B12R0.1 CCCCOCCOC(C)CCC 7a_100000210238_100000766640 [1,0,0,0,0,0|2,0,1]=4 1057 B12R0.1 CCCCOCCOC(C)CCC 7a_100000764384_100000743108 [1,0,0,0,0,0|2,0,1]=4 1058 B12R0.1 CCCCOCNCC(=O)NCC 2230a_100016988866_100011995733 [1,0,0,0,0,0|3,0,0]=4 1059 B12R0.1 CCCCOCSCC(=O)CCC 62a_100000747444_100011995733 [1,0,0,0,0,0|2,0,0]=3 1060 B12R0.1 CCCCOCSCC(=O)CCC 62a_100011995733_100000747444 [1,0,0,0,0,0|2,0,0]=3 1061 B12R0.1 CCCCOCSCC(=O)NCC 62a_100000183381_100011995733 [1,0,0,0,0,0|3,0,0]=4 1062 B12R0.1 CCCCOCSCC(=O)NCC 62a_100011995733_100000183381 [1,0,0,0,0,0|3,0,0]=4 1063 B12R0.1 CCCCOCSCC(=O)OCC 62a_100000188475_100011995733 [1,0,0,0,0,0|3,0,0]=4 1064 B12R0.1 CCCCOCSCC(=O)OCC 62a_100011995733_100000188475 [1,0,0,0,0,0|3,0,0]=4 1065 B12R0.1 CCCCSCCCC(=O)OCC 62a_100000210211_100009991533 [1,0,0,0,0,0|2,0,0]=3 1066 B12R0.1 CCCCSCCCC(=O)OCC 62a_100009991533_100000210210 [1,0,0,0,0,0|2,0,0]=3 1067 B12R0.1 CCCCSCCNC(=O)CCC 11a_100025743550_100000211992 [1,0,0,0,0,0|2,0,0]=3 1068 B12R0.1 CCCCSCCNC(=O)CCC 1626a_100025743550_100000211992 [1,0,0,0,0,0|2,0,0]=3 1069 B12R0.1 CCCCSCCNC(=O)CCC 240690a_100025743550_100000211992 [1,0,0,0,0,0|2,0,0]=3 1070 B12R0.1 CCCCSCCNC(=O)CCC 527a_100025743550_100000211992 [1,0,0,0,0,0|2,0,0]=3 1071 B12R0.1 CCCCSCCNC(=O)CCO 240690a_100025743550_100011216618 [1,0,0,0,0,0|3,0,0]=4 1072 B12R0.1 CCCCSCCNC(=O)COC 11a_100025743550_100000210968 [1,0,0,0,0,0|3,0,0]=4 1073 B12R0.1 CCCCSCCNC(=O)COC 1626a_100025743550_100000210968 [1,0,0,0,0,0|3,0,0]=4 1074 B12R0.1 CCCCSCCNC(=O)COC 240690a_100025743550_100000210968 [1,0,0,0,0,0|3,0,0]=4 1075 B12R0.1 CCCCSCCNC(=O)COC 527a_100025743550_100000210968 [1,0,0,0,0,0|3,0,0]=4 1076 B12R0.1 CCCCSCCNC(=O)CSC 11a_100025743550_100000184570 [1,0,0,0,0,0|3,0,0]=4 1077 B12R0.1 CCCCSCCNC(=O)CSC 1626a_100025743550_100000184570 [1,0,0,0,0,0|3,0,0]=4 1078 B12R0.1 CCCCSCCNC(=O)CSC 240690a_100025743550_100000184570 [1,0,0,0,0,0|3,0,0]=4 1079 B12R0.1 CCCCSCCNC(=O)CSC 527a_100025743550_100000184570 [1,0,0,0,0,0|3,0,0]=4 1080 B12R0.1 CCCCSCCNC(=O)NCC 2708a_100015525214_100025743550 [1,0,0,0,0,0|3,0,0]=4 1081 B12R0.1 CCCCSCCNC(=O)NCC 2708a_100025743550_100015525214 [1,0,0,0,0,0|3,0,0]=4 1082 B12R0.1 CCCCSCCNC(=O)NCC 273464a_100015525214_100025743550 [1,0,0,0,0,0|3,0,0]=4 1083 B12R0.1 CCCCSCCNC(=O)NCC 273464a_100025743550_100015525214 [1,0,0,0,0,0|3,0,0]=4 1084 B12R0.1 CCCCSCCNC(=O)NCC 512a_100015525214_100025743550 [1,0,0,0,0,0|3,0,0]=4 1085 B12R0.1 CCCCSCCNC(=O)NCC 512a_100025743550_100015525214 [1,0,0,0,0,0|3,0,0]=4 1086 B12R0.1 CCCCSCCNC(=O)OCC 62a_100000210211_200011445536 [1,0,0,0,0,0|3,0,0]=4 1087 B12R0.1 CCCCSCCOC(C)CCC 34a_200000230436_100000766640 [1,0,0,0,0,0|2,0,1]=4 1088 B12R0.1 CCCCSCCOC(C)CCC 7a_200000230436_100000766640 [1,0,0,0,0,0|2,0,1]=4 1089 B12R0.1 CCCN(C)CCCCCCCO 2230a_100000747261_100000760002 [1,0,0,0,0,0|3,0,0]=4 1090 B12R0.1 CCCN(C)CCCCCCCO 269982a_100000747261_100000760002 [1,0,0,0,0,0|3,0,0]=4 1091 B12R0.1 CCCN(C)CCCCCCOC 2230a_100000747261_100011998445 [1,0,0,0,0,0|3,0,0]=4 1092 B12R0.1 CCCN(C)CCCCCCOC 269982a_100000747261_100011998445 [1,0,0,0,0,0|3,0,0]=4 1093 B12R0.1 CCCOCCCCC(=O)OCC 34a_100000210258_100000750268 [1,0,0,0,0,0|2,0,0]=3 1094 B12R0.1 CCCOCCCNC(=O)CCC 1626a_100011217757_100000211992 [1,0,0,0,0,0|2,0,0]=3 1095 B12R0.1 CCCOCCCNC(=O)CCC 240690a_100011217757_100000211992 [1,0,0,0,0,0|2,0,0]=3 1096 B12R0.1 CCCOCCCNC(=O)CCC 527a_100011217757_100000211992 [1,0,0,0,0,0|2,0,0]=3 1097 B12R0.1 CCCOCCCNC(=O)CCO 240690a_100011217757_100011216618 [1,0,0,0,0,0|3,0,0]=4 1098 B12R0.1 CCCOCCCNC(=O)COC 1626a_100011217757_100000210968 [1,0,0,0,0,0|3,0,0]=4 1099 B12R0.1 CCCOCCCNC(=O)COC 240690a_100011217757_100000210968 [1,0,0,0,0,0|3,0,0]=4 1100 B12R0.1 CCCOCCCNC(=O)COC 527a_100011217757_100000210968 [1,0,0,0,0,0|3,0,0]=4 1101 B12R0.1 CCCOCCCNC(=O)CSC 1626a_100011217757_100000184570 [1,0,0,0,0,0|3,0,0]=4 1102 B12R0.1 CCCOCCCNC(=O)CSC 240690a_100011217757_100000184570 [1,0,0,0,0,0|3,0,0]=4 1103 B12R0.1 CCCOCCCNC(=O)CSC 527a_100011217757_100000184570 [1,0,0,0,0,0|3,0,0]=4 1104 B12R0.1 CCCOCCCNC(=O)NCC 2708a_100011217757_100015525214 [1,0,0,0,0,0|3,0,0]=4 1105 B12R0.1 CCCOCCCNC(=O)NCC 2708a_100015525214_100011217757 [1,0,0,0,0,0|3,0,0]=4 1106 B12R0.1 CCCOCCCNC(=O)NCC 273464a_100011217757_100015525214 [1,0,0,0,0,0|3,0,0]=4 1107 B12R0.1 CCCOCCCNC(=O)NCC 273464a_100015525214_100011217757 [1,0,0,0,0,0|3,0,0]=4 1108 B12R0.1 CCCOCCCNC(=O)NCC 512a_100011217757_100015525214 [1,0,0,0,0,0|3,0,0]=4 1109 B12R0.1 CCCOCCCNC(=O)NCC 512a_100015525214_100011217757 [1,0,0,0,0,0|3,0,0]=4 1110 B12R0.1 CCCOCCNCC(=O)CCC 2230a_100161115042_100000747444 [1,0,0,0,0,0|2,0,0]=3 1111 B12R0.1 CCCOCCNCC(=O)NCC 2230a_100016988866_100011215938 [1,0,0,0,0,0|3,0,0]=4 1112 B12R0.1 CCCOCCNCC(=O)NCC 2230a_100161115042_100000183381 [1,0,0,0,0,0|3,0,0]=4 1113 B12R0.1 CCCOCCNCC(=O)NCC 34a_100161115042_100000183381 [1,0,0,0,0,0|3,0,0]=4 1114 B12R0.1 CCCOCCNCC(=O)OCC 2230a_100161115042_100000188475 [1,0,0,0,0,0|3,0,0]=4 1115 B12R0.1 CCCOCCNCC(=O)OCC 34a_100161115042_100000188475 [1,0,0,0,0,0|3,0,0]=4 1116 B12R0.1 CCCOCCOCC(=O)CCC 7a_100000752267_100000747444 [1,0,0,0,0,0|2,0,0]=3 1117 B12R0.1 CCCOCCOCC(=O)NCC 34a_100000752267_100000183381 [1,0,0,0,0,0|3,0,0]=4 1118 B12R0.1 CCCOCCOCC(=O)NCC 7a_100000752267_100000183381 [1,0,0,0,0,0|3,0,0]=4 1119 B12R0.1 CCCOCCOCC(=O)OCC 34a_100000210258_100000088970 [1,0,0,0,0,0|3,0,0]=4 1120 B12R0.1 CCCOCCOCC(=O)OCC 34a_100000752267_100000188475 [1,0,0,0,0,0|3,0,0]=4 1121 B12R0.1 CCCOCCOCC(=O)OCC 7a_100000752267_100000188475 [1,0,0,0,0,0|3,0,0]=4 1122 B12R0.1 CCCOCCSCC(=O)CCC 62a_100000747444_100011215938 [1,0,0,0,0,0|2,0,0]=3 1123 B12R0.1 CCCOCCSCC(=O)CCC 62a_100011215938_100000747444 [1,0,0,0,0,0|2,0,0]=3 1124 B12R0.1 CCCOCCSCC(=O)NCC 62a_100000183381_100011215938 [1,0,0,0,0,0|3,0,0]=4 1125 B12R0.1 CCCOCCSCC(=O)NCC 62a_100011215938_100000183381 [1,0,0,0,0,0|3,0,0]=4 1126 B12R0.1 CCCOCCSCC(=O)OCC 62a_100000188475_100011215938 [1,0,0,0,0,0|3,0,0]=4 1127 B12R0.1 CCCOCCSCC(=O)OCC 62a_100011215938_100000188475 [1,0,0,0,0,0|3,0,0]=4 1128 B12R0.1 CCCOCCSCC(=O)OCC 7a_200000230590_100000210303 [1,0,0,0,0,0|3,0,0]=4 1129 B12R0.1 CCCSCCCCC(=O)OCC 62a_100000210303_100000750268 [1,0,0,0,0,0|2,0,0]=3 1130 B12R0.1 CCCSCCCCC(=O)OCC 62a_100000750268_100000210303 [1,0,0,0,0,0|2,0,0]=3 1131 B12R0.1 CCCSCCNCC(=O)CCC 2230a_100020603323_100000747444 [1,0,0,0,0,0|2,0,0]=3 1132 B12R0.1 CCCSCCNCC(=O)NCC 2230a_100020603323_100000183381 [1,0,0,0,0,0|3,0,0]=4 1133 B12R0.1 CCCSCCNCC(=O)OCC 2230a_100020603323_100000188475 [1,0,0,0,0,0|3,0,0]=4 1134 B12R0.1 CCCSCCOCC(=O)CCC 7a_200000230433_100000747444 [1,0,0,0,0,0|2,0,0]=3 1135 B12R0.1 CCCSCCOCC(=O)NCC 34a_200000230433_100000183381 [1,0,0,0,0,0|3,0,0]=4 1136 B12R0.1 CCCSCCOCC(=O)NCC 7a_200000230433_100000183381 [1,0,0,0,0,0|3,0,0]=4 1137 B12R0.1 CCCSCCOCC(=O)OCC 34a_200000230433_100000188475 [1,0,0,0,0,0|3,0,0]=4 1138 B12R0.1 CCCSCCOCC(=O)OCC 62a_100000088970_100000210303 [1,0,0,0,0,0|3,0,0]=4 1139 B12R0.1 CCCSCCOCC(=O)OCC 62a_100000210303_100000088970 [1,0,0,0,0,0|3,0,0]=4 1140 B12R0.1 CCCSCCOCC(=O)OCC 7a_200000230433_100000188475 [1,0,0,0,0,0|3,0,0]=4 1141 B12R0.1 CCNC(=O)CCCCCCCO 240690a_100015525214_100011219782 [1,0,0,0,0,0|2,0,0]=3 1142 B12R0.1 CCNC(=O)CCNCCCCF 34a_100025743525_100000729493 [1,0,0,0,0,0|3,0,0]=4 1143 B12R0.1 CCNC(=O)CCNCCCCO 2230a_100000750430_100000737597 [1,0,0,0,0,0|3,0,0]=4 1144 B12R0.1 CCNC(=O)CCNCCCCO 34a_100025743525_100011216708 [1,0,0,0,0,0|3,0,0]=4 1145 B12R0.1 CCNC(=O)CCNCCCOC 34a_100025743525_100000740836 [1,0,0,0,0,0|3,0,0]=4 1146 B12R0.1 CCNC(=O)CCNCCCSC 2230a_100000749238_100000737597 [1,0,0,0,0,0|3,0,0]=4 1147 B12R0.1 CCNC(=O)CCNCCOCC 2230a_102516460346_100000737597 [1,0,0,0,0,0|3,0,0]=4 1148 B12R0.1 CCNC(=O)CCNCCOCC 34a_100025743525_100000210147 [1,0,0,0,0,0|3,0,0]=4 1149 B12R0.1 CCNC(=O)CCNCCSCC 2230a_100000106463_100000737597 [1,0,0,0,0,0|3,0,0]=4 1150 B12R0.1 CCNC(=O)CCNCCSCC 34a_100025743525_100000757381 [1,0,0,0,0,0|3,0,0]=4 1151 B12R0.1 CCNC(=O)CCOCCCCCl 7a_100000210776_100000737597 [1,0,0,0,0,0|3,0,0]=4 1152 B12R0.1 CCNC(=O)CCOCCCCF 7a_100011995726_100000737597 [1,0,0,0,0,0|3,0,0]=4 1153 B12R0.1 CCNC(=O)CCOCCCSC 7a_100000690336_100000737597 [1,0,0,0,0,0|3,0,0]=4 1154 B12R0.1 CCNC(=O)CCOCCOCC 7a_100000210136_100000737597 [1,0,0,0,0,0|3,0,0]=4 1155 B12R0.1 CCNC(=O)CCOCCSCC 7a_100000212035_100000737597 [1,0,0,0,0,0|3,0,0]=4 1156 B12R0.1 CCNC(=O)CCSCCCCF 62a_100000729493_100000737597 [1,0,0,0,0,0|3,0,0]=4 1157 B12R0.1 CCNC(=O)CCSCCCCF 62a_100000737597_100000729493 [1,0,0,0,0,0|3,0,0]=4 1158 B12R0.1 CCNC(=O)CCSCCCCO 62a_100000210776_100000737597 [1,0,0,0,0,0|3,0,0]=4 1159 B12R0.1 CCNC(=O)CCSCCCCO 62a_100000737597_100000210776 [1,0,0,0,0,0|3,0,0]=4 1160 B12R0.1 CCNC(=O)CCSCCCOC 62a_100000709357_100000737597 [1,0,0,0,0,0|3,0,0]=4 1161 B12R0.1 CCNC(=O)CCSCCCOC 62a_100000737597_100000709357 [1,0,0,0,0,0|3,0,0]=4 1162 B12R0.1 CCNC(=O)CCSCCOCC 62a_100000210147_100000737597 [1,0,0,0,0,0|3,0,0]=4 1163 B12R0.1 CCNC(=O)CCSCCOCC 62a_100000737597_100011215890 [1,0,0,0,0,0|3,0,0]=4 1164 B12R0.1 CCNC(=O)CCSCCSCC 62a_100000737597_100000757381 [1,0,0,0,0,0|3,0,0]=4 1165 B12R0.1 CCNC(=O)CCSCCSCC 62a_100000757381_100000737597 [1,0,0,0,0,0|3,0,0]=4 1166 B12R0.1 CCNC(=O)CNCCCCCF 2230a_100016988866_100000729378 [1,0,0,0,0,0|3,0,0]=4 1167 B12R0.1 CCNC(=O)CNCCCCCO 2230a_100000762737_100000183381 [1,0,0,0,0,0|3,0,0]=4 1168 B12R0.1 CCNC(=O)CNCCCCCO 2230a_100016988866_100000746330 [1,0,0,0,0,0|3,0,0]=4 1169 B12R0.1 CCNC(=O)CNCCCCCO 34a_100000762737_100000183381 [1,0,0,0,0,0|3,0,0]=4 1170 B12R0.1 CCNC(=O)CNCCCCOC 2230a_100016988866_100000730899 [1,0,0,0,0,0|3,0,0]=4 1171 B12R0.1 CCNC(=O)CNCCCOCC 2230a_100000210961_100000183381 [1,0,0,0,0,0|3,0,0]=4 1172 B12R0.1 CCNC(=O)CNCCCOCC 2230a_100016988866_100012232248 [1,0,0,0,0,0|3,0,0]=4 1173 B12R0.1 CCNC(=O)CNCCCOCC 34a_100000210961_100000183381 [1,0,0,0,0,0|3,0,0]=4 1174 B12R0.1 CCNC(=O)COCCCCCBr 34a_100000746331_100000183381 [1,0,0,0,0,0|3,0,0]=4 1175 B12R0.1 CCNC(=O)COCCCCCBr 7a_100000746331_100000183381 [1,0,0,0,0,0|3,0,0]=4 1176 B12R0.1 CCNC(=O)COCCCCCCl 34a_100000746330_100000183381 [1,0,0,0,0,0|3,0,0]=4 1177 B12R0.1 CCNC(=O)COCCCCCCl 7a_100000746330_100000183381 [1,0,0,0,0,0|3,0,0]=4 1178 B12R0.1 CCNC(=O)COCCCCCI 34a_200012148887_100000183381 [1,0,0,0,0,0|3,0,0]=4 1179 B12R0.1 CCNC(=O)COCCCCCI 7a_200012148887_100000183381 [1,0,0,0,0,0|3,0,0]=4 1180 B12R0.1 CCNC(=O)COCCCCCN 34a_100000762737_100000183381 [1,0,0,0,0,0|3,0,0]=4 1181 B12R0.1 CCNC(=O)COCCCCOC 34a_100000740925_100000183381 [1,0,0,0,0,0|3,0,0]=4 1182 B12R0.1 CCNC(=O)COCCCCSC 34a_100011217163_100000183381 [1,0,0,0,0,0|3,0,0]=4 1183 B12R0.1 CCNC(=O)COCCCCSC 7a_100011217163_100000183381 [1,0,0,0,0,0|3,0,0]=4 1184 B12R0.1 CCNC(=O)COCCCOCC 34a_100000757476_100000183381 [1,0,0,0,0,0|3,0,0]=4 1185 B12R0.1 CCNC(=O)COCCCOCC 7a_100000757476_100000183381 [1,0,0,0,0,0|3,0,0]=4 1186 B12R0.1 CCNC(=O)COCCCSCC 34a_100011216438_100000183381 [1,0,0,0,0,0|3,0,0]=4 1187 B12R0.1 CCNC(=O)COCCCSCC 7a_100011216438_100000183381 [1,0,0,0,0,0|3,0,0]=4 1188 B12R0.1 CCNC(=O)CSCCCCCF 62a_100000183381_100000729378 [1,0,0,0,0,0|3,0,0]=4 1189 B12R0.1 CCNC(=O)CSCCCCCF 62a_100000729378_100000183381 [1,0,0,0,0,0|3,0,0]=4 1190 B12R0.1 CCNC(=O)CSCCCCCO 62a_100000183381_100000746330 [1,0,0,0,0,0|3,0,0]=4 1191 B12R0.1 CCNC(=O)CSCCCCCO 62a_100000746330_100000183381 [1,0,0,0,0,0|3,0,0]=4 1192 B12R0.1 CCNC(=O)CSCCCCOC 62a_100000183381_100000730899 [1,0,0,0,0,0|3,0,0]=4 1193 B12R0.1 CCNC(=O)CSCCCCOC 62a_100000730899_100000183381 [1,0,0,0,0,0|3,0,0]=4 1194 B12R0.1 CCNC(=O)CSCCCOCC 62a_100000183381_100012232248 [1,0,0,0,0,0|3,0,0]=4 1195 B12R0.1 CCNC(=O)CSCCCOCC 62a_100012232248_100000183381 [1,0,0,0,0,0|3,0,0]=4 1196 B12R0.1 CCNC(=O)NCCCCCCO 2708a_100015525214_100000686447 [1,0,0,0,0,0|3,0,0]=4 1197 B12R0.1 CCNC(=O)NCCCCCCO 273464a_100000686447_100015525214 [1,0,0,0,0,0|3,0,0]=4 1198 B12R0.1 CCNC(=O)NCCCCCCO 273464a_100015525214_100000686447 [1,0,0,0,0,0|3,0,0]=4 1199 B12R0.1 CCNC(=O)NCCCCCCO 512a_100000686447_100015525214 [1,0,0,0,0,0|3,0,0]=4 1200 B12R0.1 CCNC(=O)NCCCCCCO 512a_100015525214_100000686447 [1,0,0,0,0,0|3,0,0]=4 1201 B12R0.1 CCNC(=O)NCCCCCOC 2708a_100000747528_100015525214 [1,0,0,0,0,0|3,0,0]=4 1202 B12R0.1 CCNC(=O)NCCCCCOC 2708a_100015525214_100000747528 [1,0,0,0,0,0|3,0,0]=4 1203 B12R0.1 CCNC(=O)NCCCCCOC 273464a_100000747528_100015525214 [1,0,0,0,0,0|3,0,0]=4 1204 B12R0.1 CCNC(=O)NCCCCCOC 273464a_100015525214_100000747528 [1,0,0,0,0,0|3,0,0]=4 1205 B12R0.1 CCNC(=O)NCCCCCOC 512a_100000747528_100015525214 [1,0,0,0,0,0|3,0,0]=4 1206 B12R0.1 CCNC(=O)NCCCCCOC 512a_100015525214_100000747528 [1,0,0,0,0,0|3,0,0]=4 1207 B12R0.1 CCNCCCCCC(=O)OCC 2230a_100015525214_100000755133 [1,0,0,0,0,0|2,0,0]=3 1208 B12R0.1 CCNCCCOCC(=O)OCC 2230a_100015525214_100009893628 [1,0,0,0,0,0|3,0,0]=4 1209 B12R0.1 CCOC(=O)CCCCCCNC 2230a_106832991635_100009814379 [1,0,0,0,0,0|2,0,0]=3 1210 B12R0.1 CCOC(=O)CCCCCCNC 34a_100102657272_100009814379 [1,0,0,0,0,0|2,0,0]=3 1211 B12R0.1 CCOC(=O)CCCCCCNC 7a_106832991635_100009814379 [1,0,0,0,0,0|2,0,0]=3 1212 B12R0.1 CCOC(=O)CCCCCCOC 34a_100138415774_100009814379 [1,0,0,0,0,0|2,0,0]=3 1213 B12R0.1 CCOC(=O)CCCCCCSC 62a_200000210301_100009814379 [1,0,0,0,0,0|2,0,0]=3 1214 B12R0.1 CCOC(=O)CCCCCCS[13CH3] 62a_200025704644_100009814379 [1,0,0,0,0,0|2,0,0]=3 1215 B12R0.1 CCOC(=O)CCCCCOCF 7a_100011214988_100015361967 [1,0,0,0,0,0|3,0,0]=4 1216 B12R0.1 CCOC(=O)CCCCCSCC 62a_100000210202_100000755133 [1,0,0,0,0,0|2,0,0]=3 1217 B12R0.1 CCOC(=O)CCCCCSCC 62a_100000755133_100000210202 [1,0,0,0,0,0|2,0,0]=3 1218 B12R0.1 CCOC(=O)CCCCCSCF 62a_100000755133_100015361967 [1,0,0,0,0,0|3,0,0]=4 1219 B12R0.1 CCOC(=O)CCCCCSCF 62a_100015361967_100000755133 [1,0,0,0,0,0|3,0,0]=4 1220 B12R0.1 CCOC(=O)CCCCNCCF 34a_100000724931_100000750268 [1,0,0,0,0,0|3,0,0]=4 1221 B12R0.1 CCOC(=O)CCCCNCCO 2230a_100016997473_100000750268 [1,0,0,0,0,0|3,0,0]=4 1222 B12R0.1 CCOC(=O)CCCCNCCO 34a_100016990907_100000750268 [1,0,0,0,0,0|3,0,0]=4 1223 B12R0.1 CCOC(=O)CCCCOCCBr 34a_100000211926_100000750268 [1,0,0,0,0,0|3,0,0]=4 1224 B12R0.1 CCOC(=O)CCCCOCCN 34a_100000210304_100000750268 [1,0,0,0,0,0|3,0,0]=4 1225 B12R0.1 CCOC(=O)CCCCSCCF 62a_100000750268_100011217306 [1,0,0,0,0,0|3,0,0]=4 1226 B12R0.1 CCOC(=O)CCCCSCCF 62a_100011217306_100000750268 [1,0,0,0,0,0|3,0,0]=4 1227 B12R0.1 CCOC(=O)CCCCSCCO 62a_100000211926_100000750268 [1,0,0,0,0,0|3,0,0]=4 1228 B12R0.1 CCOC(=O)CCCCSCCO 62a_100000750268_100000211926 [1,0,0,0,0,0|3,0,0]=4 1229 B12R0.1 CCOC(=O)CCCCSCOC 62a_100000750268_100000766300 [1,0,0,0,0,0|3,0,0]=4 1230 B12R0.1 CCOC(=O)CCCCSCOC 62a_100000766300_100000750268 [1,0,0,0,0,0|3,0,0]=4 1231 B12R0.1 CCOC(=O)CCCCSCSC 62a_100000750268_100011218213 [1,0,0,0,0,0|3,0,0]=4 1232 B12R0.1 CCOC(=O)CCCCSCSC 62a_100011218213_100000750268 [1,0,0,0,0,0|3,0,0]=4 1233 B12R0.1 CCOC(=O)CCCNCCCF 2230a_100015189416_100009991533 [1,0,0,0,0,0|3,0,0]=4 1234 B12R0.1 CCOC(=O)CCCNCCCF 34a_100015189416_100009991533 [1,0,0,0,0,0|3,0,0]=4 1235 B12R0.1 CCOC(=O)CCCNCCOC 2230a_100000209980_100009991533 [1,0,0,0,0,0|3,0,0]=4 1236 B12R0.1 CCOC(=O)CCCNCCSC 2230a_100020590264_100009991533 [1,0,0,0,0,0|3,0,0]=4 1237 B12R0.1 CCOC(=O)CCCOCCCBr 34a_100011217188_100009991533 [1,0,0,0,0,0|3,0,0]=4 1238 B12R0.1 CCOC(=O)CCCOCCCCl 34a_100000230001_100009991533 [1,0,0,0,0,0|3,0,0]=4 1239 B12R0.1 CCOC(=O)CCCOCCCF 34a_100000759539_100009991533 [1,0,0,0,0,0|3,0,0]=4 1240 B12R0.1 CCOC(=O)CCCOCCCF 7a_100012001163_100011934791 [1,0,0,0,0,0|3,0,0]=4 1241 B12R0.1 CCOC(=O)CCCOCCCN 34a_100000182051_100009991533 [1,0,0,0,0,0|3,0,0]=4 1242 B12R0.1 CCOC(=O)CCCOCCCO 7a_100012001163_100011215043 [1,0,0,0,0,0|3,0,0]=4 1243 B12R0.1 CCOC(=O)CCCOCCOC 34a_100000210237_100009991533 [1,0,0,0,0,0|3,0,0]=4 1244 B12R0.1 CCOC(=O)CCCOCCOC 7a_100012001163_100000233755 [1,0,0,0,0,0|3,0,0]=4 1245 B12R0.1 CCOC(=O)CCCOCCSC 34a_100000230434_100009991533 [1,0,0,0,0,0|3,0,0]=4 1246 B12R0.1 CCOC(=O)CCCOCCSC 7a_100000230434_100011215271 [1,0,0,0,0,0|3,0,0]=4 1247 B12R0.1 CCOC(=O)CCCOCCSC 7a_100012001163_100000212216 [1,0,0,0,0,0|3,0,0]=4 1248 B12R0.1 CCOC(=O)CCCSCCCF 62a_100009991533_100011934791 [1,0,0,0,0,0|3,0,0]=4 1249 B12R0.1 CCOC(=O)CCCSCCCF 62a_100011934791_100009991533 [1,0,0,0,0,0|3,0,0]=4 1250 B12R0.1 CCOC(=O)CCCSCCCO 62a_100009991533_100011215043 [1,0,0,0,0,0|3,0,0]=4 1251 B12R0.1 CCOC(=O)CCCSCCCO 62a_100011215043_100009991533 [1,0,0,0,0,0|3,0,0]=4 1252 B12R0.1 CCOC(=O)CCCSCCOC 62a_100000233755_100009991533 [1,0,0,0,0,0|3,0,0]=4 1253 B12R0.1 CCOC(=O)CCCSCCOC 62a_100009991533_100000233755 [1,0,0,0,0,0|3,0,0]=4 1254 B12R0.1 CCOC(=O)CCCSCCSC 62a_100000212216_100009991533 [1,0,0,0,0,0|3,0,0]=4 1255 B12R0.1 CCOC(=O)CCCSCCSC 62a_100009991533_100000751147 [1,0,0,0,0,0|3,0,0]=4 1256 B12R0.1 CCOC(=O)CCNCCCCO 2230a_100000750430_100011206558 [1,0,0,0,0,0|3,0,0]=4 1257 B12R0.1 CCOC(=O)CCNCCCCO 34a_100000750430_100000765890 [1,0,0,0,0,0|3,0,0]=4 1258 B12R0.1 CCOC(=O)CCNCCCOC 34a_100150723488_100000765890 [1,0,0,0,0,0|3,0,0]=4 1259 B12R0.1 CCOC(=O)CCNCCCSC 2230a_100000749238_100011206558 [1,0,0,0,0,0|3,0,0]=4 1260 B12R0.1 CCOC(=O)CCNCCSCC 2230a_100000106463_100011206558 [1,0,0,0,0,0|3,0,0]=4 1261 B12R0.1 CCOC(=O)CCOCCCCBr 34a_100011216708_100000765890 [1,0,0,0,0,0|3,0,0]=4 1262 B12R0.1 CCOC(=O)CCOCCCCCl 34a_100000210776_100000765890 [1,0,0,0,0,0|3,0,0]=4 1263 B12R0.1 CCOC(=O)CCOCCCCCl 7a_100000210776_100011206558 [1,0,0,0,0,0|3,0,0]=4 1264 B12R0.1 CCOC(=O)CCOCCCCF 34a_100011995726_100000765890 [1,0,0,0,0,0|3,0,0]=4 1265 B12R0.1 CCOC(=O)CCOCCCCF 7a_100011995726_100011206558 [1,0,0,0,0,0|3,0,0]=4 1266 B12R0.1 CCOC(=O)CCOCCCCI 34a_200012148704_100000765890 [1,0,0,0,0,0|3,0,0]=4 1267 B12R0.1 CCOC(=O)CCOCCCCN 34a_100000750430_100000765890 [1,0,0,0,0,0|3,0,0]=4 1268 B12R0.1 CCOC(=O)CCOCCCNC 34a_100000213112_100000765890 [1,0,0,0,0,0|3,0,0]=4 1269 B12R0.1 CCOC(=O)CCOCCCOC 34a_100000740835_100000765890 [1,0,0,0,0,0|3,0,0]=4 1270 B12R0.1 CCOC(=O)CCOCCCSC 34a_100000690336_100000765890 [1,0,0,0,0,0|3,0,0]=4 1271 B12R0.1 CCOC(=O)CCOCCCSC 7a_100000690336_100011206558 [1,0,0,0,0,0|3,0,0]=4 1272 B12R0.1 CCOC(=O)CCOCCSCC 34a_100000212035_100000765890 [1,0,0,0,0,0|3,0,0]=4 1273 B12R0.1 CCOC(=O)CCOCCSCC 7a_100000212035_100011206558 [1,0,0,0,0,0|3,0,0]=4 1274 B12R0.1 CCOC(=O)CCSCCCCF 62a_100000729493_100000765890 [1,0,0,0,0,0|3,0,0]=4 1275 B12R0.1 CCOC(=O)CCSCCCCF 62a_100000765890_100000729493 [1,0,0,0,0,0|3,0,0]=4 1276 B12R0.1 CCOC(=O)CCSCCCCO 62a_100000210776_100000765890 [1,0,0,0,0,0|3,0,0]=4 1277 B12R0.1 CCOC(=O)CCSCCCCO 62a_100000765890_100000210776 [1,0,0,0,0,0|3,0,0]=4 1278 B12R0.1 CCOC(=O)CCSCCCOC 62a_100000709357_100000765890 [1,0,0,0,0,0|3,0,0]=4 1279 B12R0.1 CCOC(=O)CCSCCCOC 62a_100000765890_100000709357 [1,0,0,0,0,0|3,0,0]=4 1280 B12R0.1 CCOC(=O)CCSCCSCC 62a_100000757381_100000765890 [1,0,0,0,0,0|3,0,0]=4 1281 B12R0.1 CCOC(=O)CCSCCSCC 62a_100000765890_100000757381 [1,0,0,0,0,0|3,0,0]=4 1282 B12R0.1 CCOC(=O)CNCCCCCO 2230a_100000762737_100000188475 [1,0,0,0,0,0|3,0,0]=4 1283 B12R0.1 CCOC(=O)CNCCCCCO 34a_100000762737_100000188475 [1,0,0,0,0,0|3,0,0]=4 1284 B12R0.1 CCOC(=O)COCCCCCBr 34a_100000746331_100000188475 [1,0,0,0,0,0|3,0,0]=4 1285 B12R0.1 CCOC(=O)COCCCCCBr 7a_100000746331_100000188475 [1,0,0,0,0,0|3,0,0]=4 1286 B12R0.1 CCOC(=O)COCCCCCCl 34a_100000746330_100000188475 [1,0,0,0,0,0|3,0,0]=4 1287 B12R0.1 CCOC(=O)COCCCCCCl 7a_100000746330_100000188475 [1,0,0,0,0,0|3,0,0]=4 1288 B12R0.1 CCOC(=O)COCCCCCI 34a_200012148887_100000188475 [1,0,0,0,0,0|3,0,0]=4 1289 B12R0.1 CCOC(=O)COCCCCCI 7a_200012148887_100000188475 [1,0,0,0,0,0|3,0,0]=4 1290 B12R0.1 CCOC(=O)COCCCCCN 34a_100000762737_100000188475 [1,0,0,0,0,0|3,0,0]=4 1291 B12R0.1 CCOC(=O)COCCCCOC 34a_100000740925_100000188475 [1,0,0,0,0,0|3,0,0]=4 1292 B12R0.1 CCOC(=O)COCCCCSC 34a_100011217163_100000188475 [1,0,0,0,0,0|3,0,0]=4 1293 B12R0.1 CCOC(=O)COCCCCSC 7a_100011217163_100000188475 [1,0,0,0,0,0|3,0,0]=4 1294 B12R0.1 CCOC(=O)COCCCSCC 34a_100011216438_100000188475 [1,0,0,0,0,0|3,0,0]=4 1295 B12R0.1 CCOC(=O)COCCCSCC 62a_100000210202_100009893628 [1,0,0,0,0,0|3,0,0]=4 1296 B12R0.1 CCOC(=O)COCCCSCC 62a_100009893628_100000210202 [1,0,0,0,0,0|3,0,0]=4 1297 B12R0.1 CCOC(=O)COCCCSCC 7a_100011216438_100000188475 [1,0,0,0,0,0|3,0,0]=4 1298 B12R0.1 CCOC(=O)CSCCCCCF 62a_100000188475_100000729378 [1,0,0,0,0,0|3,0,0]=4 1299 B12R0.1 CCOC(=O)CSCCCCCF 62a_100000729378_100000188475 [1,0,0,0,0,0|3,0,0]=4 1300 B12R0.1 CCOC(=O)CSCCCCCO 62a_100000188475_100000746330 [1,0,0,0,0,0|3,0,0]=4 1301 B12R0.1 CCOC(=O)CSCCCCCO 62a_100000746330_100000188475 [1,0,0,0,0,0|3,0,0]=4 1302 B12R0.1 CCOC(=O)CSCCCCOC 62a_100000188475_100000730899 [1,0,0,0,0,0|3,0,0]=4 1303 B12R0.1 CCOC(=O)CSCCCCOC 62a_100000730899_100000188475 [1,0,0,0,0,0|3,0,0]=4 1304 B12R0.1 CCOC(=O)OCSCCCCF 62a_100000729493_100000075025 [1,0,0,0,0,0|3,0,0]=4 1305 B12R0.1 CCOC(=O)OCSCCCCO 62a_100000210776_100000075025 [1,0,0,0,0,0|3,0,0]=4 1306 B12R0.1 CCOC(=O)OCSCCCOC 62a_100000709357_100000075025 [1,0,0,0,0,0|3,0,0]=4 1307 B12R0.1 CCOC(=O)OCSCCSCC 62a_100000757381_100000075025 [1,0,0,0,0,0|3,0,0]=4 1308 B12R0.1 CCOCCCCCC(=O)OCC 34a_100121572206_100000755133 [1,0,0,0,0,0|2,0,0]=3 1309 B12R0.1 CCOCCCCCC(=O)OCC 7a_100011214988_100000210202 [1,0,0,0,0,0|2,0,0]=3 1310 B12R0.1 CCOCCCNCC(=O)OCC 2230a_100000210961_100000188475 [1,0,0,0,0,0|3,0,0]=4 1311 B12R0.1 CCOCCCNCC(=O)OCC 34a_100000210961_100000188475 [1,0,0,0,0,0|3,0,0]=4 1312 B12R0.1 CCOCCCOCC(=O)OCC 34a_100000757476_100000188475 [1,0,0,0,0,0|3,0,0]=4 1313 B12R0.1 CCOCCCOCC(=O)OCC 34a_100121572206_100009893628 [1,0,0,0,0,0|3,0,0]=4 1314 B12R0.1 CCOCCCOCC(=O)OCC 7a_100000757476_100000188475 [1,0,0,0,0,0|3,0,0]=4 1315 B12R0.1 CCOCCCSCC(=O)OCC 62a_100000188475_100012232248 [1,0,0,0,0,0|3,0,0]=4 1316 B12R0.1 CCOCCCSCC(=O)OCC 62a_100012232248_100000188475 [1,0,0,0,0,0|3,0,0]=4 1317 B12R0.1 CCOCCNCCC(=O)OCC 2230a_102516460346_100011206558 [1,0,0,0,0,0|3,0,0]=4 1318 B12R0.1 CCOCCNCCC(=O)OCC 34a_102516460346_100000765890 [1,0,0,0,0,0|3,0,0]=4 1319 B12R0.1 CCOCCOCCC(=O)CCO 1458a_100011216618_100011211534 [1,0,0,0,0,0|3,0,0]=4 1320 B12R0.1 CCOCCOCCC(=O)COC 1458a_100000210968_100011211534 [1,0,0,0,0,0|3,0,0]=4 1321 B12R0.1 CCOCCOCCC(=O)CSC 1458a_100000184570_100011211534 [1,0,0,0,0,0|3,0,0]=4 1322 B12R0.1 CCOCCOCCC(=O)OCC 34a_100000210136_100000765890 [1,0,0,0,0,0|3,0,0]=4 1323 B12R0.1 CCOCCOCCC(=O)OCC 7a_100000210136_100011206558 [1,0,0,0,0,0|3,0,0]=4 1324 B12R0.1 CCOCCSCCC(=O)OCC 62a_100000210147_100000765890 [1,0,0,0,0,0|3,0,0]=4 1325 B12R0.1 CCOCCSCCC(=O)OCC 62a_100000765890_100011215890 [1,0,0,0,0,0|3,0,0]=4 1326 B12R0.1 CCOCCSCOC(=O)OCC 62a_100000210147_100000075025 [1,0,0,0,0,0|3,0,0]=4 1327 B12R0.1 CCOCSCCCC(=O)OCC 62a_100000739092_100009991533 [1,0,0,0,0,0|3,0,0]=4 1328 B12R0.1 CCOCSCCCC(=O)OCC 62a_100009991533_100000739092 [1,0,0,0,0,0|3,0,0]=4 1329 B12R0.1 CNNC(=O)CCCCCCCO 22a_100016993582_100011219782 [1,0,0,0,0,0|3,0,0]=4 1330 B12R0.1 COCC(=O)CCCCCCC#N 1458a_100000210968_100009813337 [1,0,0,0,0,0|2,0,1]=4 1331 B12R0.1 COCC(=O)CCCCCCCO 1458a_100000210968_100000760002 [1,0,0,0,0,0|2,0,0]=3 1332 B12R0.1 COCC(=O)NCCCCCCO 240690a_100000686447_100000210968 [1,0,0,0,0,0|3,0,0]=4 1333 B12R0.1 COCC(=O)NCCCCCCO 527a_100000686447_100000210968 [1,0,0,0,0,0|3,0,0]=4 1334 B12R0.1 COCCCCCCC(=O)CC#N 1458a_100051588842_100011998445 [1,0,0,0,0,0|2,0,1]=4 1335 B12R0.1 COCCCCCCC(=O)CCO 1458a_100011216618_100011998445 [1,0,0,0,0,0|2,0,0]=3 1336 B12R0.1 COCCCCCCC(=O)COC 1458a_100000210968_100011998445 [1,0,0,0,0,0|2,0,0]=3 1337 B12R0.1 COCCCCCCC(=O)CSC 1458a_100000184570_100011998445 [1,0,0,0,0,0|2,0,0]=3 1338 B12R0.1 COCCCCCNC(=O)CCO 240690a_100000747528_100011216618 [1,0,0,0,0,0|3,0,0]=4 1339 B12R0.1 COCCCCCNC(=O)COC 11a_100000747528_100000210968 [1,0,0,0,0,0|3,0,0]=4 1340 B12R0.1 COCCCCCNC(=O)COC 1626a_100000747528_100000210968 [1,0,0,0,0,0|3,0,0]=4 1341 B12R0.1 COCCCCCNC(=O)COC 240690a_100000747528_100000210968 [1,0,0,0,0,0|3,0,0]=4 1342 B12R0.1 COCCCCCNC(=O)COC 527a_100000747528_100000210968 [1,0,0,0,0,0|3,0,0]=4 1343 B12R0.1 COCCCCCNC(=O)CSC 11a_100000747528_100000184570 [1,0,0,0,0,0|3,0,0]=4 1344 B12R0.1 COCCCCCNC(=O)CSC 1626a_100000747528_100000184570 [1,0,0,0,0,0|3,0,0]=4 1345 B12R0.1 COCCCCCNC(=O)CSC 240690a_100000747528_100000184570 [1,0,0,0,0,0|3,0,0]=4 1346 B12R0.1 COCCCCCNC(=O)CSC 527a_100000747528_100000184570 [1,0,0,0,0,0|3,0,0]=4 1347 B12R0.1 COCCOCCCC(=O)CCO 1458a_100011216618_100011216529 [1,0,0,0,0,0|3,0,0]=4 1348 B12R0.1 COCCOCCCC(=O)COC 1458a_100000210968_100011216529 [1,0,0,0,0,0|3,0,0]=4 1349 B12R0.1 COCCOCCCC(=O)CSC 1458a_100000184570_100011216529 [1,0,0,0,0,0|3,0,0]=4 1350 B12R0.1 CSCC(=O)CCCCCCC#N 1458a_100000184570_100009813337 [1,0,0,0,0,0|2,0,1]=4 1351 B12R0.1 CSCC(=O)CCCCCCCO 1458a_100000184570_100000760002 [1,0,0,0,0,0|2,0,0]=3 1352 B12R0.1 CSCC(=O)NCCCCCCO 240690a_100000686447_100000184570 [1,0,0,0,0,0|3,0,0]=4 1353 B12R0.1 CSCC(=O)NCCCCCCO 527a_100000686447_100000184570 [1,0,0,0,0,0|3,0,0]=4 1354 B12R0.1 N#CCC(=O)CCCCCCCO 1458a_100011219782_100011214920 [1,0,0,0,0,0|2,0,1]=4 1355 B12R0.1 N#CCC(=O)CCCCCCCO 1458a_100051588842_100000760002 [1,0,0,0,0,0|2,0,1]=4 1356 B12R0.1 N#CCCCCCCC(=O)CCO 1458a_100011216618_100009813337 [1,0,0,0,0,0|2,0,1]=4 1357 B12R0.1 O=C(CCF)CCCCCCCO 1458a_100011219782_100011217306 [1,0,0,0,0,0|2,0,0]=3 1358 B12R0.1 O=C(CCO)CCCCCCCO 1458a_100011216618_100000760002 [1,0,0,0,0,0|2,0,0]=3 1359 B12R0.1 O=C(CCO)CCCCCCCO 1458a_100011219782_100000211926 [1,0,0,0,0,0|2,0,0]=3 1360 B12R0.1 O=C(CCO)NCCCCCCO 240690a_100000686447_100011216618 [1,0,0,0,0,0|3,0,0]=4 1361 B12R0.5 C#CCCCCCCOCCCC 34a_100000210227_100012276617 [1,0,0,0,0,0|0,0,3]=4 1362 B12R0.5 C#CCCCCCCOCCCC 34a_100011217361_100000210210 [1,0,0,0,0,0|0,0,3]=4 1363 B12R0.5 C#CCCCCCCOCCCC 7a_100000210227_100012276617 [1,0,0,0,0,0|0,0,3]=4 1364 B12R0.5 C#CCCCCCCOCCCC 7a_100011217361_100000210211 [1,0,0,0,0,0|0,0,3]=4 1365 B12R0.5 C#CCCOCCCCCCCC 34a_100000210232_100000688953 [1,0,0,0,0,0|0,0,3]=4 1366 B12R0.5 C#CCCOCCCCCCCC 34a_100011215631_100000210759 [1,0,0,0,0,0|0,0,3]=4 1367 B12R0.5 C#CCCOCCCCCCCC 7a_100000210232_100000688953 [1,0,0,0,0,0|0,0,3]=4 1368 B12R0.5 C/C=C/COCCCCCCCC 34a_100000210232_100102629194 [1,0,0,0,0,0|0,0,3]=4 1369 B12R0.5 C/C=C/COCCCCCCCC 34a_100016270725_100000210759 [1,0,0,0,0,0|0,0,3]=4 1370 B12R0.5 C/C=C/COCCCCCCCC 7a_100000210232_100102629194 [1,0,0,0,0,0|0,0,3]=4 1371 B12R0.5 C=CCCCCCCOCCCC 34a_100000210227_100011215473 [1,0,0,0,0,0|0,0,3]=4 1372 B12R0.5 C=CCCCCCCOCCCC 34a_200011216477_100000210210 [1,0,0,0,0,0|0,0,3]=4 1373 B12R0.5 C=CCCCCCCOCCCC 7a_100000210227_100011215473 [1,0,0,0,0,0|0,0,3]=4 1374 B12R0.5 C=CCCCCCCOCCCC 7a_200011216477_100000210211 [1,0,0,0,0,0|0,0,3]=4 1375 B12R0.5 C=CCCOCCCCCCCC 34a_100000210232_100000754431 [1,0,0,0,0,0|0,0,3]=4 1376 B12R0.5 C=CCCOCCCCCCCC 34a_100011205117_100000210759 [1,0,0,0,0,0|0,0,3]=4 1377 B12R0.5 C=CCCOCCCCCCCC 7a_100000210232_100000754431 [1,0,0,0,0,0|0,0,3]=4 1378 B12R0.5 CC#CCOCCCCCCCC 34a_100000210232_100000748600 [1,0,0,0,0,0|0,0,3]=4 1379 B12R0.5 CC#CCOCCCCCCCC 34a_100000761923_100000210759 [1,0,0,0,0,0|0,0,3]=4 1380 B12R0.5 CC#CCOCCCCCCCC 7a_100000210232_100000748600 [1,0,0,0,0,0|0,0,3]=4 1381 B12R0.5 CC/C=C/CCCOCCCCC 34a_100016287902_100000718602 [1,0,0,0,0,0|2,0,1]=4 1382 B12R0.5 CC/C=C/CCCOCCCCC 7a_100016287902_100000210326 [1,0,0,0,0,0|2,0,1]=4 1383 B12R0.5 CC/C=C\CCCCCCCNC 269862a_106832991636_200025770492 [1,0,0,0,0,0|2,0,1]=4 1384 B12R0.5 CC/C=C\CCCCCNCCC 269862a_100020643023_100016288537 [1,0,0,0,0,0|2,0,1]=4 1385 B12R0.5 CC/C=C\CCCCCOCCC 34a_100016268722_100000210303 [1,0,0,0,0,0|2,0,1]=4 1386 B12R0.5 CC/C=C\CCCCCOCCC 7a_100016268722_100000210303 [1,0,0,0,0,0|2,0,1]=4 1387 B12R0.5 CC/C=C\CCCCOCCCC 34a_100016287862_100000210210 [1,0,0,0,0,0|0,0,3]=4 1388 B12R0.5 CC/C=C\CCCCOCCCC 7a_100016287862_100000210211 [1,0,0,0,0,0|0,0,3]=4 1389 B12R0.5 CC/C=C\CCNCCCCCC 2230a_100000210581_100015370543 [1,0,0,0,0,0|2,0,1]=4 1390 B12R0.5 CC/C=C\CCOCCCCCC 34a_100000210259_100015370543 [1,0,0,0,0,0|2,0,1]=4 1391 B12R0.5 CC/C=C\CCOCCCCCC 34a_100016288707_100000210314 [1,0,0,0,0,0|2,0,1]=4 1392 B12R0.5 CC/C=C\CCOCCCCCC 7a_100000210259_100015370543 [1,0,0,0,0,0|2,0,1]=4 1393 B12R0.5 CC/C=C\CCOCCCCCC 7a_100016288707_100000210314 [1,0,0,0,0,0|2,0,1]=4 1394 B12R0.5 CC/C=C\CCSCCCCCC 62a_100000210314_100015370543 [1,0,0,0,0,0|2,0,1]=4 1395 B12R0.5 CC/C=C\CCSCCCCCC 62a_100015370543_100000210757 [1,0,0,0,0,0|2,0,1]=4 1396 B12R0.5 CC/C=C\CNCCCCCCC 2230a_100000229938_100103147603 [1,0,0,0,0,0|2,0,1]=4 1397 B12R0.5 CC/C=C\COCCCCCCC 34a_100000210272_100103147603 [1,0,0,0,0,0|2,0,1]=4 1398 B12R0.5 CC/C=C\COCCCCCCC 34a_100016268518_100000210614 [1,0,0,0,0,0|2,0,1]=4 1399 B12R0.5 CC/C=C\COCCCCCCC 7a_100000210272_100103147603 [1,0,0,0,0,0|2,0,1]=4 1400 B12R0.5 CC/C=C\CSCCCCCCC 62a_100000210614_100103147603 [1,0,0,0,0,0|2,0,1]=4 1401 B12R0.5 CC/C=C\CSCCCCCCC 62a_100103147603_100000210316 [1,0,0,0,0,0|2,0,1]=4 1402 B12R0.5 CC=CCOCCCCCCCC 34a_100000210232_100000070051 [1,0,0,0,0,0|0,0,3]=4 1403 B12R0.5 CC=CCOCCCCCCCC 7a_100000210232_100000070051 [1,0,0,0,0,0|0,0,3]=4 1404 B12R0.5 CCC/C=C/COCCCCCC 34a_100016278788_100000210314 [1,0,0,0,0,0|2,0,0]=3 1405 B12R0.5 CCC/C=C/COCCCCCC 7a_100016278788_100000210314 [1,0,0,0,0,0|2,0,0]=3 1406 B12R0.5 CCC/C=C/COCCCCCF 34a_100016278788_100000729378 [1,0,0,0,0,0|3,0,0]=4 1407 B12R0.5 CCC/C=C/COCCCCCF 7a_100016278788_100000729378 [1,0,0,0,0,0|3,0,0]=4 1408 B12R0.5 CCC/C=C/COCCCCCO 34a_100016278788_100000746330 [1,0,0,0,0,0|3,0,0]=4 1409 B12R0.5 CCC/C=C/COCCCCCO 7a_100016278788_100000746330 [1,0,0,0,0,0|3,0,0]=4 1410 B12R0.5 CCC/C=C/COCCCCOC 34a_100016278788_100000755781 [1,0,0,0,0,0|3,0,0]=4 1411 B12R0.5 CCC/C=C/COCCCCOC 7a_100016278788_100000730899 [1,0,0,0,0,0|3,0,0]=4 1412 B12R0.5 CCC/C=C/COCCCOCC 34a_100016278788_100012232248 [1,0,0,0,0,0|3,0,0]=4 1413 B12R0.5 CCC/C=C/COCCCOCC 7a_100016278788_100012232248 [1,0,0,0,0,0|3,0,0]=4 1414 B12R0.5 CCC/C=C/COCCOCCC 34a_100016278788_100011215938 [1,0,0,0,0,0|3,0,0]=4 1415 B12R0.5 CCC/C=C/COCCOCCC 7a_100016278788_100011215938 [1,0,0,0,0,0|3,0,0]=4 1416 B12R0.5 CCC/C=C/COCOCCCC 34a_100016278788_100011995733 [1,0,0,0,0,0|3,0,0]=4 1417 B12R0.5 CCCC#CCCOCCCCC 34a_100000042726_100000718602 [1,0,0,0,0,0|2,0,1]=4 1418 B12R0.5 CCCC#CCCOCCCCC 7a_100000042726_100000210326 [1,0,0,0,0,0|2,0,1]=4 1419 B12R0.5 CCCC#CCOCCCCCC 34a_100000034806_100000210314 [1,0,0,0,0,0|2,0,1]=4 1420 B12R0.5 CCCC#CCOCCCCCC 7a_100000034806_100000210314 [1,0,0,0,0,0|2,0,1]=4 1421 B12R0.5 CCCC/C=C\CCOCCCC 34a_200016286491_100000210210 [1,0,0,0,0,0|0,0,3]=4 1422 B12R0.5 CCCC/C=C\CCOCCCC 7a_200016286491_100000210211 [1,0,0,0,0,0|0,0,3]=4 1423 B12R0.5 CCCCC#CCCOCCCC 34a_100000037610_100000210210 [1,0,0,0,0,0|0,0,3]=4 1424 B12R0.5 CCCCC#CCCOCCCC 7a_100000037610_100000210211 [1,0,0,0,0,0|0,0,3]=4 1425 B12R0.5 CCCCC/C=C/COCCCC 34a_100016258190_100000210210 [1,0,0,0,0,0|0,0,3]=4 1426 B12R0.5 CCCCC/C=C/COCCCC 7a_100016258190_100000210211 [1,0,0,0,0,0|0,0,3]=4 1427 B12R0.5 CCCCCC#CCOCCCC 34a_100000210227_100009816472 [1,0,0,0,0,0|0,0,3]=4 1428 B12R0.5 CCCCCC#CCOCCCC 34a_200000033628_100000210210 [1,0,0,0,0,0|0,0,3]=4 1429 B12R0.5 CCCCCC#CCOCCCC 7a_100000210227_100009816472 [1,0,0,0,0,0|0,0,3]=4 1430 B12R0.5 CCCCCC#CCOCCCC 7a_200000033628_100000210211 [1,0,0,0,0,0|0,0,3]=4 1431 B12R0.5 CCCCCCCC/C=C/COC 34a_200020667288_200000210301 [1,0,0,0,0,0|2,0,0]=3 1432 B12R0.5 CCCCCCCC/C=C/COC 7a_200020667288_200000210301 [1,0,0,0,0,0|2,0,0]=3 1433 B12R0.5 CCCCCCCC/C=C/CO[13CH3] 34a_200020667288_200025704644 [1,0,0,0,0,0|2,0,0]=3 1434 B12R0.5 CCCCCCCC/C=C/CO[13CH3] 7a_200020667288_200025704644 [1,0,0,0,0,0|2,0,0]=3 1435 B12R0.5 CCCCCCCC=NNCCC 4a_100000740057_100000210592 [1,0,0,0,0,0|2,0,1]=4 1436 B12R0.5 CCCCCCCCC=NNCC 4a_100000756455_100011218696 [1,0,0,0,0,0|3,0,0]=4 1437 B12R0.5 CCCCCCCCCCCNC 2230a_106832991635_100011215454 [1,0,0,0,0,0|2,0,1]=4 1438 B12R0.5 CCCCCCCCCCCNC 2230a_200011215754_200000210301 [1,0,0,0,0,0|2,0,1]=4 1439 B12R0.5 CCCCCCCCCCCNC 34a_100102657272_100011215454 [1,0,0,0,0,0|2,0,1]=4 1440 B12R0.5 CCCCCCCCCCCNC 34a_200011215754_200000210301 [1,0,0,0,0,0|2,0,1]=4 1441 B12R0.5 CCCCCCCCCCCNC 7a_106832991635_100011215454 [1,0,0,0,0,0|2,0,1]=4 1442 B12R0.5 CCCCCCCCCCCN[13CH3] 2230a_200011215754_200025704644 [1,0,0,0,0,0|2,0,1]=4 1443 B12R0.5 CCCCCCCCCCCN[13CH3] 34a_200011215754_200025704644 [1,0,0,0,0,0|2,0,1]=4 1444 B12R0.5 CCCCCCCCCCCOC 34a_100000210809_200000210301 [1,0,0,0,0,0|2,0,1]=4 1445 B12R0.5 CCCCCCCCCCCOC 34a_100138415774_100011215454 [1,0,0,0,0,0|2,0,1]=4 1446 B12R0.5 CCCCCCCCCCCOC 7a_100000210809_200000210301 [1,0,0,0,0,0|2,0,1]=4 1447 B12R0.5 CCCCCCCCCCCO[13CH3] 34a_100000210809_200025704644 [1,0,0,0,0,0|2,0,1]=4 1448 B12R0.5 CCCCCCCCCCCO[13CH3] 7a_100000210809_200025704644 [1,0,0,0,0,0|2,0,1]=4 1449 B12R0.5 CCCCCCCCCCCSC 62a_200000210301_100011215454 [1,0,0,0,0,0|2,0,1]=4 1450 B12R0.5 CCCCCCCCCCCS[13CH3] 62a_200025704644_100011215454 [1,0,0,0,0,0|2,0,1]=4 1451 B12R0.5 CCCCCCCCCCNCC 2230a_100000684558_100000210202 [1,0,0,0,0,0|2,0,1]=4 1452 B12R0.5 CCCCCCCCCCNCC 2230a_100015525214_100000210320 [1,0,0,0,0,0|2,0,1]=4 1453 B12R0.5 CCCCCCCCCCNCC 34a_100000684558_100000210202 [1,0,0,0,0,0|2,0,1]=4 1454 B12R0.5 CCCCCCCCCCOCC 34a_100000210711_100000210202 [1,0,0,0,0,0|2,0,1]=4 1455 B12R0.5 CCCCCCCCCCOCC 34a_100121572206_100000210320 [1,0,0,0,0,0|2,0,1]=4 1456 B12R0.5 CCCCCCCCCCOCC 7a_100000210711_100000210202 [1,0,0,0,0,0|2,0,1]=4 1457 B12R0.5 CCCCCCCCCCSCC 62a_100000210202_100000210320 [1,0,0,0,0,0|2,0,1]=4 1458 B12R0.5 CCCCCCCCCNCCC 2230a_100000212291_100000210303 [1,0,0,0,0,0|2,0,0]=3 1459 B12R0.5 CCCCCCCCCNCCC 34a_100000212291_100000210303 [1,0,0,0,0,0|2,0,0]=3 1460 B12R0.5 CCCCCCCCCNCCF 2230a_100000212291_100011217306 [1,0,0,0,0,0|3,0,0]=4 1461 B12R0.5 CCCCCCCCCNCCF 34a_100000212291_100011217306 [1,0,0,0,0,0|3,0,0]=4 1462 B12R0.5 CCCCCCCCCNCCF 34a_100000724931_100011214924 [1,0,0,0,0,0|3,0,0]=4 1463 B12R0.5 CCCCCCCCCNCCO 2230a_100000212291_100000211926 [1,0,0,0,0,0|3,0,0]=4 1464 B12R0.5 CCCCCCCCCNCCO 2230a_100016997473_100011214924 [1,0,0,0,0,0|3,0,0]=4 1465 B12R0.5 CCCCCCCCCNCCO 34a_100000212291_100000211926 [1,0,0,0,0,0|3,0,0]=4 1466 B12R0.5 CCCCCCCCCNCCO 34a_100016990907_100011214924 [1,0,0,0,0,0|3,0,0]=4 1467 B12R0.5 CCCCCCCCCNCOC 2230a_100000212291_100000766300 [1,0,0,0,0,0|3,0,0]=4 1468 B12R0.5 CCCCCCCCCNCSC 2230a_100000212291_100011218213 [1,0,0,0,0,0|3,0,0]=4 1469 B12R0.5 CCCCCCCCCNCSC 34a_100000212291_100011218213 [1,0,0,0,0,0|3,0,0]=4 1470 B12R0.5 CCCCCCCCCOCCBr 34a_100000211926_100011214924 [1,0,0,0,0,0|3,0,0]=4 1471 B12R0.5 CCCCCCCCCOCCC 34a_100000210258_100011214924 [1,0,0,0,0,0|2,0,0]=3 1472 B12R0.5 CCCCCCCCCOCCC 34a_100000210712_100000210303 [1,0,0,0,0,0|2,0,0]=3 1473 B12R0.5 CCCCCCCCCOCCC 7a_100000210712_100000210303 [1,0,0,0,0,0|2,0,0]=3 1474 B12R0.5 CCCCCCCCCOCCF 34a_100000210712_100011217306 [1,0,0,0,0,0|3,0,0]=4 1475 B12R0.5 CCCCCCCCCOCCF 7a_100000210712_100011217306 [1,0,0,0,0,0|3,0,0]=4 1476 B12R0.5 CCCCCCCCCOCCN 34a_100000210304_100011214924 [1,0,0,0,0,0|3,0,0]=4 1477 B12R0.5 CCCCCCCCCOCCO 34a_100000210712_100000211926 [1,0,0,0,0,0|3,0,0]=4 1478 B12R0.5 CCCCCCCCCOCCO 7a_100000210712_100000211926 [1,0,0,0,0,0|3,0,0]=4 1479 B12R0.5 CCCCCCCCCOCSC 34a_100000210712_100011218213 [1,0,0,0,0,0|3,0,0]=4 1480 B12R0.5 CCCCCCCCCSCCC 62a_100000210303_100000210670 [1,0,0,0,0,0|2,0,0]=3 1481 B12R0.5 CCCCCCCCCSCCF 62a_100011217306_100000210670 [1,0,0,0,0,0|3,0,0]=4 1482 B12R0.5 CCCCCCCCCSCCO 62a_100000211926_100000210670 [1,0,0,0,0,0|3,0,0]=4 1483 B12R0.5 CCCCCCCCCSCOC 62a_100000766300_100000210670 [1,0,0,0,0,0|3,0,0]=4 1484 B12R0.5 CCCCCCCCCSCSC 62a_100011218213_100000210670 [1,0,0,0,0,0|3,0,0]=4 1485 B12R0.5 CCCCCCCCNCCCC 2230a_100000102301_100000210759 [1,0,0,0,0,0|1,0,1]=3 1486 B12R0.5 CCCCCCCCNCCCC 2230a_100000229939_100000210211 [1,0,0,0,0,0|1,0,1]=3 1487 B12R0.5 CCCCCCCCNCCCC 34a_100000229939_100000210210 [1,0,0,0,0,0|1,0,1]=3 1488 B12R0.5 CCCCCCCCNCCCC 7a_106832991798_100000210759 [1,0,0,0,0,0|1,0,1]=3 1489 B12R0.5 CCCCCCCCNCCCF 2230a_100000229939_100011934791 [1,0,0,0,0,0|2,0,1]=4 1490 B12R0.5 CCCCCCCCNCCCF 2230a_100015189416_100000210759 [1,0,0,0,0,0|2,0,1]=4 1491 B12R0.5 CCCCCCCCNCCCF 34a_100000229939_100011934791 [1,0,0,0,0,0|2,0,1]=4 1492 B12R0.5 CCCCCCCCNCCCF 34a_100015189416_100000210759 [1,0,0,0,0,0|2,0,1]=4 1493 B12R0.5 CCCCCCCCNCCCO 2230a_100000229939_100000230001 [1,0,0,0,0,0|2,0,1]=4 1494 B12R0.5 CCCCCCCCNCCCO 34a_100000229939_100000230001 [1,0,0,0,0,0|2,0,1]=4 1495 B12R0.5 CCCCCCCCNCCOC 2230a_100000209980_100000210759 [1,0,0,0,0,0|2,0,1]=4 1496 B12R0.5 CCCCCCCCNCCOC 2230a_100000229939_100011201679 [1,0,0,0,0,0|2,0,1]=4 1497 B12R0.5 CCCCCCCCNCCOC 34a_100000229939_100011201679 [1,0,0,0,0,0|2,0,1]=4 1498 B12R0.5 CCCCCCCCNCCSC 2230a_100000229939_100000751147 [1,0,0,0,0,0|2,0,1]=4 1499 B12R0.5 CCCCCCCCNCCSC 2230a_100020590264_100000210759 [1,0,0,0,0,0|2,0,1]=4 1500 B12R0.5 CCCCCCCCNCCSC 34a_100000229939_100000212216 [1,0,0,0,0,0|2,0,1]=4 1501 B12R0.5 CCCCCCCCOCCC#N 7a_100000210232_100000184422 [1,0,0,0,0,0|1,0,2]=4 1502 B12R0.5 CCCCCCCCOCCCBr 34a_100011217188_100000210759 [1,0,0,0,0,0|1,0,1]=3 1503 B12R0.5 CCCCCCCCOCCCC 34a_100000210227_100000210759 [1,0,0,0,0,0|0,0,1]=2 1504 B12R0.5 CCCCCCCCOCCCC 34a_100000210232_100000210210 [1,0,0,0,0,0|0,0,1]=2 1505 B12R0.5 CCCCCCCCOCCCC 7a_100000210227_100000210759 [1,0,0,0,0,0|0,0,1]=2 1506 B12R0.5 CCCCCCCCOCCCC 7a_100000210232_100000210211 [1,0,0,0,0,0|0,0,1]=2 1507 B12R0.5 CCCCCCCCOCCCCl 34a_100000230001_100000210759 [1,0,0,0,0,0|1,0,1]=3 1508 B12R0.5 CCCCCCCCOCCCF 34a_100000210232_100011934791 [1,0,0,0,0,0|1,0,1]=3 1509 B12R0.5 CCCCCCCCOCCCF 34a_100000759539_100000210759 [1,0,0,0,0,0|1,0,1]=3 1510 B12R0.5 CCCCCCCCOCCCF 7a_100000210232_100011934791 [1,0,0,0,0,0|1,0,1]=3 1511 B12R0.5 CCCCCCCCOCCCN 34a_100000182051_100000210759 [1,0,0,0,0,0|1,0,1]=3 1512 B12R0.5 CCCCCCCCOCCCO 34a_100000210232_100000230001 [1,0,0,0,0,0|1,0,1]=3 1513 B12R0.5 CCCCCCCCOCCCO 7a_100000210232_100011215043 [1,0,0,0,0,0|1,0,1]=3 1514 B12R0.5 CCCCCCCCOCCOC 34a_100000210232_100011201679 [1,0,0,0,0,0|1,0,1]=3 1515 B12R0.5 CCCCCCCCOCCOC 34a_100000210237_100000210759 [1,0,0,0,0,0|1,0,1]=3 1516 B12R0.5 CCCCCCCCOCCOC 7a_100000210232_100000233755 [1,0,0,0,0,0|1,0,1]=3 1517 B12R0.5 CCCCCCCCOCCON 34a_100000700252_100000210759 [1,0,0,0,0,0|2,0,1]=4 1518 B12R0.5 CCCCCCCCOCCSC 34a_100000210232_100000212216 [1,0,0,0,0,0|1,0,1]=3 1519 B12R0.5 CCCCCCCCOCCSC 34a_100000230434_100000210759 [1,0,0,0,0,0|1,0,1]=3 1520 B12R0.5 CCCCCCCCOCCSC 7a_100000210232_100000212216 [1,0,0,0,0,0|1,0,1]=3 1521 B12R0.5 CCCCCCCCOCCSC 7a_100000230434_100000210759 [1,0,0,0,0,0|1,0,1]=3 1522 B12R0.5 CCCCCCCCSCCCC 62a_100000210211_100000210317 [1,0,0,0,0,0|0,1,1]=3 1523 B12R0.5 CCCCCCCCSCCCC 62a_100000210759_100000210210 [1,0,0,0,0,0|0,1,1]=3 1524 B12R0.5 CCCCCCCCSCCCF 62a_100000210759_100011934791 [1,0,0,0,0,0|1,1,1]=4 1525 B12R0.5 CCCCCCCCSCCCF 62a_100011934791_100000210317 [1,0,0,0,0,0|1,1,1]=4 1526 B12R0.5 CCCCCCCCSCCCO 62a_100000210759_100011215043 [1,0,0,0,0,0|1,1,1]=4 1527 B12R0.5 CCCCCCCCSCCCO 62a_100011215043_100000210317 [1,0,0,0,0,0|1,1,1]=4 1528 B12R0.5 CCCCCCCCSCCOC 62a_100000210759_100000233755 [1,0,0,0,0,0|1,1,1]=4 1529 B12R0.5 CCCCCCCCSCCOC 62a_100000233755_100000210317 [1,0,0,0,0,0|1,1,1]=4 1530 B12R0.5 CCCCCCCCSCCSC 62a_100000210759_100000751147 [1,0,0,0,0,0|1,1,1]=4 1531 B12R0.5 CCCCCCCCSCCSC 62a_100000212216_100000210317 [1,0,0,0,0,0|1,1,1]=4 1532 B12R0.5 CCCCCCCCSCOCC 62a_100000210759_100000739092 [1,0,0,0,0,0|1,1,1]=4 1533 B12R0.5 CCCCCCCCSCOCC 62a_100000739092_100000210317 [1,0,0,0,0,0|1,1,1]=4 1534 B12R0.5 CCCCCCCNCCCCC 2230a_100000209983_100000210681 [1,0,0,0,0,0|2,0,1]=4 1535 B12R0.5 CCCCCCCNCCCCC 2230a_100000229938_100000210326 [1,0,0,0,0,0|2,0,1]=4 1536 B12R0.5 CCCCCCCOCCCCC 34a_100000210253_100000210614 [1,0,0,0,0,0|2,0,1]=4 1537 B12R0.5 CCCCCCCOCCCCC 34a_100000210272_100000718602 [1,0,0,0,0,0|2,0,1]=4 1538 B12R0.5 CCCCCCCOCCCCC 7a_100000210253_100000210614 [1,0,0,0,0,0|2,0,1]=4 1539 B12R0.5 CCCCCCCOCCCCC 7a_100000210272_100000210326 [1,0,0,0,0,0|2,0,1]=4 1540 B12R0.5 CCCCCCCSCCCCC 62a_100000210326_100000210316 [1,0,0,0,0,0|2,0,1]=4 1541 B12R0.5 CCCCCCCSCCCCC 62a_100000210614_100000210326 [1,0,0,0,0,0|2,0,1]=4 1542 B12R0.5 CCCCCCNCCCCCC 2230a_100000210581_100000210314 [1,0,0,0,0,0|2,0,1]=4 1543 B12R0.5 CCCCCCNCCOCCC 2230a_100000210581_100011215938 [1,0,0,0,0,0|3,0,0]=4 1544 B12R0.5 CCCCCCNCCOCCC 2230a_100161115042_100000210314 [1,0,0,0,0,0|3,0,0]=4 1545 B12R0.5 CCCCCCNCCOCCC 34a_100161115042_100000210314 [1,0,0,0,0,0|3,0,0]=4 1546 B12R0.5 CCCCCCNCCSCCC 2230a_100020603323_100000210314 [1,0,0,0,0,0|3,0,0]=4 1547 B12R0.5 CCCCCCNCOCCCC 2230a_100000210581_100011995733 [1,0,0,0,0,0|1,0,1]=3 1548 B12R0.5 CCCCCCNCOCCOC 2230a_100000210581_100000231047 [1,0,0,0,0,0|2,0,1]=4 1549 B12R0.5 CCCCCCOCCCCCC 34a_100000210259_100000210314 [1,0,0,0,0,0|2,0,1]=4 1550 B12R0.5 CCCCCCOCCCCCC 7a_100000210259_100000210314 [1,0,0,0,0,0|2,0,1]=4 1551 B12R0.5 CCCCCCOCCOCCC 34a_100000210259_100011215938 [1,0,0,0,0,0|3,0,0]=4 1552 B12R0.5 CCCCCCOCCOCCC 34a_100000691444_100000210303 [1,0,0,0,0,0|3,0,0]=4 1553 B12R0.5 CCCCCCOCCOCCC 34a_100000752267_100000210314 [1,0,0,0,0,0|3,0,0]=4 1554 B12R0.5 CCCCCCOCCOCCC 7a_100000210259_100011215938 [1,0,0,0,0,0|3,0,0]=4 1555 B12R0.5 CCCCCCOCCOCCC 7a_100000691444_100000210303 [1,0,0,0,0,0|3,0,0]=4 1556 B12R0.5 CCCCCCOCCOCCC 7a_100000752267_100000210314 [1,0,0,0,0,0|3,0,0]=4 1557 B12R0.5 CCCCCCOCCSCCC 34a_200000230433_100000210314 [1,0,0,0,0,0|3,0,0]=4 1558 B12R0.5 CCCCCCOCCSCCC 7a_200000230433_100000210314 [1,0,0,0,0,0|3,0,0]=4 1559 B12R0.5 CCCCCCOCOCCCC 34a_100000210259_100011995733 [1,0,0,0,0,0|1,0,1]=3 1560 B12R0.5 CCCCCCSCCCCCC 62a_100000210314_100000210757 [1,0,0,0,0,0|2,0,1]=4 1561 B12R0.5 CCCCCCSCCOCCC 62a_100000210314_100011215938 [1,0,0,0,0,0|3,0,0]=4 1562 B12R0.5 CCCCCCSCCOCCC 62a_100011215938_100000210757 [1,0,0,0,0,0|3,0,0]=4 1563 B12R0.5 CCCCCCSCOCCCC 62a_100000210314_100011995733 [1,0,0,0,0,0|1,0,1]=3 1564 B12R0.5 CCCCCCSCOCCCC 62a_100011995733_100000210757 [1,0,0,0,0,0|1,0,1]=3 1565 B12R0.5 CCCCCCSCOCCOC 62a_100000210314_100000231047 [1,0,0,0,0,0|2,0,1]=4 1566 B12R0.5 CCCCCCSCOCCOC 62a_100000231047_100000210757 [1,0,0,0,0,0|2,0,1]=4 1567 B12R0.5 CCCCCNCCCOCCC 2230a_100011217757_100000210326 [1,0,0,0,0,0|3,0,0]=4 1568 B12R0.5 CCCCCNCCCOCCC 34a_100011217757_100000718602 [1,0,0,0,0,0|3,0,0]=4 1569 B12R0.5 CCCCCNCCOCCCC 2230a_100000209983_100000743108 [1,0,0,0,0,0|1,0,1]=3 1570 B12R0.5 CCCCCNCCOCCCC 34a_100000224656_100000210210 [1,0,0,0,0,0|1,0,1]=3 1571 B12R0.5 CCCCCNCCOCCCF 34a_100000224656_100011934791 [1,0,0,0,0,0|2,0,1]=4 1572 B12R0.5 CCCCCNCCOCCCO 34a_100000224656_100000230001 [1,0,0,0,0,0|2,0,1]=4 1573 B12R0.5 CCCCCNCCOCCOC 2230a_100000209983_100000695917 [1,0,0,0,0,0|2,0,1]=4 1574 B12R0.5 CCCCCNCCOCCOC 2230a_100000745349_100000210326 [1,0,0,0,0,0|2,0,1]=4 1575 B12R0.5 CCCCCNCCOCCOC 34a_100000224656_100011201679 [1,0,0,0,0,0|2,0,1]=4 1576 B12R0.5 CCCCCNCCOCCOC 34a_100000745349_100000718602 [1,0,0,0,0,0|2,0,1]=4 1577 B12R0.5 CCCCCNCCOCCSC 34a_100000224656_100000212216 [1,0,0,0,0,0|2,0,1]=4 1578 B12R0.5 CCCCCNCCSCCCC 2230a_100025743550_100000210326 [1,0,0,0,0,0|1,1,1]=4 1579 B12R0.5 CCCCCOCCOCCCC 34a_100000210238_100000718602 [1,0,0,0,0,0|1,0,1]=3 1580 B12R0.5 CCCCCOCCOCCCC 34a_100000210253_100000743108 [1,0,0,0,0,0|1,0,1]=3 1581 B12R0.5 CCCCCOCCOCCCC 34a_100011215259_100000210210 [1,0,0,0,0,0|1,0,1]=3 1582 B12R0.5 CCCCCOCCOCCCC 7a_100000210238_100000210326 [1,0,0,0,0,0|1,0,1]=3 1583 B12R0.5 CCCCCOCCOCCCC 7a_100000210253_100000743108 [1,0,0,0,0,0|1,0,1]=3 1584 B12R0.5 CCCCCOCCOCCCC 7a_100011215259_100000210211 [1,0,0,0,0,0|1,0,1]=3 1585 B12R0.5 CCCCCOCCOCCCF 34a_100011215259_100011934791 [1,0,0,0,0,0|2,0,1]=4 1586 B12R0.5 CCCCCOCCOCCCF 7a_100011215259_100011934791 [1,0,0,0,0,0|2,0,1]=4 1587 B12R0.5 CCCCCOCCOCCCO 34a_100011215259_100000230001 [1,0,0,0,0,0|2,0,1]=4 1588 B12R0.5 CCCCCOCCOCCCO 7a_100011215259_100011215043 [1,0,0,0,0,0|2,0,1]=4 1589 B12R0.5 CCCCCOCCOCCNC 34a_100000228057_100000718602 [1,0,0,0,0,0|2,0,1]=4 1590 B12R0.5 CCCCCOCCOCCOC 34a_100000210253_100000695917 [1,0,0,0,0,0|2,0,1]=4 1591 B12R0.5 CCCCCOCCOCCOC 34a_100011215163_100000718602 [1,0,0,0,0,0|2,0,1]=4 1592 B12R0.5 CCCCCOCCOCCOC 34a_100011215259_100011201679 [1,0,0,0,0,0|2,0,1]=4 1593 B12R0.5 CCCCCOCCOCCOC 7a_100000210253_100000695917 [1,0,0,0,0,0|2,0,1]=4 1594 B12R0.5 CCCCCOCCOCCOC 7a_100011215163_100000210326 [1,0,0,0,0,0|2,0,1]=4 1595 B12R0.5 CCCCCOCCOCCOC 7a_100011215259_100000233755 [1,0,0,0,0,0|2,0,1]=4 1596 B12R0.5 CCCCCOCCOCCSC 34a_100011215259_100000212216 [1,0,0,0,0,0|2,0,1]=4 1597 B12R0.5 CCCCCOCCOCCSC 7a_100011215259_100000212216 [1,0,0,0,0,0|2,0,1]=4 1598 B12R0.5 CCCCCOCCSCCCC 34a_200000230436_100000718602 [1,0,0,0,0,0|1,1,1]=4 1599 B12R0.5 CCCCCOCCSCCCC 7a_200000230436_100000210326 [1,0,0,0,0,0|1,1,1]=4 1600 B12R0.5 CCCCCSCCOCCCC 62a_100000210326_100000743108 [1,0,0,0,0,0|1,0,1]=3 1601 B12R0.5 CCCCCSCCOCCCC 62a_100000743108_100000210326 [1,0,0,0,0,0|1,0,1]=3 1602 B12R0.5 CCCCCSCCOCCOC 62a_100000210326_100000695917 [1,0,0,0,0,0|2,0,1]=4 1603 B12R0.5 CCCCCSCCOCCOC 62a_100000695917_100000210326 [1,0,0,0,0,0|2,0,1]=4 1604 B12R0.5 CCCCNCCCCCCCO 2230a_100000102301_100000760002 [1,0,0,0,0,0|2,0,1]=4 1605 B12R0.5 CCCCNCCCCCCCO 2230a_100011996573_100000210211 [1,0,0,0,0,0|2,0,1]=4 1606 B12R0.5 CCCCNCCCCCCCO 34a_100011996573_100000210210 [1,0,0,0,0,0|2,0,1]=4 1607 B12R0.5 CCCCNCCCCCCCO 7a_106832991798_100000760002 [1,0,0,0,0,0|2,0,1]=4 1608 B12R0.5 CCCCNCCCCCCOC 2230a_100000102301_100011998445 [1,0,0,0,0,0|2,0,1]=4 1609 B12R0.5 CCCCNCCCCCCOC 7a_106832991798_100011998445 [1,0,0,0,0,0|2,0,1]=4 1610 B12R0.5 CCCCNCCCCOCCC 34a_200011216965_100000210303 [1,0,0,0,0,0|2,0,1]=4 1611 B12R0.5 CCCCNCCCOCCCC 2230a_200000211371_100000210211 [1,0,0,0,0,0|1,0,1]=3 1612 B12R0.5 CCCCNCCCOCCCC 34a_200000211371_100000210210 [1,0,0,0,0,0|1,0,1]=3 1613 B12R0.5 CCCCNCCCOCCCO 2230a_100011310245_100000210211 [1,0,0,0,0,0|2,0,1]=4 1614 B12R0.5 CCCCNCCCOCCCO 34a_100011310245_100000210210 [1,0,0,0,0,0|2,0,1]=4 1615 B12R0.5 CCCCNCCCOCCOC 2230a_100000102301_100011216529 [1,0,0,0,0,0|2,0,1]=4 1616 B12R0.5 CCCCNCCCOCCOC 2230a_100000206027_100000210211 [1,0,0,0,0,0|2,0,1]=4 1617 B12R0.5 CCCCNCCCOCCOC 34a_100000206027_100000210210 [1,0,0,0,0,0|2,0,1]=4 1618 B12R0.5 CCCCNCCCOCCOC 7a_106832991798_100011216529 [1,0,0,0,0,0|2,0,1]=4 1619 B12R0.5 CCCCOCCCCCCC#N 7a_100000210227_100009813337 [1,0,0,0,0,0|1,0,2]=4 1620 B12R0.5 CCCCOCCCCCCCBr 34a_100000760002_100000210210 [1,0,0,0,0,0|1,0,1]=3 1621 B12R0.5 CCCCOCCCCCCCBr 7a_100000760002_100000210211 [1,0,0,0,0,0|1,0,1]=3 1622 B12R0.5 CCCCOCCCCCCCN 34a_100011996573_100000210210 [1,0,0,0,0,0|1,0,1]=3 1623 B12R0.5 CCCCOCCCCCCCO 34a_100000210227_100000760002 [1,0,0,0,0,0|1,0,1]=3 1624 B12R0.5 CCCCOCCCCCCCO 7a_100000210227_100000760002 [1,0,0,0,0,0|1,0,1]=3 1625 B12R0.5 CCCCOCCCCCCOC 34a_100000210227_100011998445 [1,0,0,0,0,0|1,0,1]=3 1626 B12R0.5 CCCCOCCCCCCOC 34a_200012092642_100000210210 [1,0,0,0,0,0|1,0,1]=3 1627 B12R0.5 CCCCOCCCCCCOC 7a_100000210227_100011998445 [1,0,0,0,0,0|1,0,1]=3 1628 B12R0.5 CCCCOCCCCCCOC 7a_200012092642_100000210211 [1,0,0,0,0,0|1,0,1]=3 1629 B12R0.5 CCCCOCCCCOCCC 34a_200000760531_100000210303 [1,0,0,0,0,0|1,0,1]=3 1630 B12R0.5 CCCCOCCCCOCCC 7a_200000760531_100000210303 [1,0,0,0,0,0|1,0,1]=3 1631 B12R0.5 CCCCOCCCCOCCF 34a_200000760531_100011217306 [1,0,0,0,0,0|2,0,1]=4 1632 B12R0.5 CCCCOCCCCOCCF 7a_200000760531_100011217306 [1,0,0,0,0,0|2,0,1]=4 1633 B12R0.5 CCCCOCCCCOCCO 34a_200000760531_100000211926 [1,0,0,0,0,0|2,0,1]=4 1634 B12R0.5 CCCCOCCCCOCCO 7a_200000760531_100000211926 [1,0,0,0,0,0|2,0,1]=4 1635 B12R0.5 CCCCOCCCCOCSC 34a_200000760531_100011218213 [1,0,0,0,0,0|2,0,1]=4 1636 B12R0.5 CCCCOCCCNCCCF 2230a_200000211371_100011934791 [1,0,0,0,0,0|2,0,1]=4 1637 B12R0.5 CCCCOCCCNCCCF 34a_200000211371_100011934791 [1,0,0,0,0,0|2,0,1]=4 1638 B12R0.5 CCCCOCCCNCCCO 2230a_200000211371_100000230001 [1,0,0,0,0,0|2,0,1]=4 1639 B12R0.5 CCCCOCCCNCCCO 34a_200000211371_100000230001 [1,0,0,0,0,0|2,0,1]=4 1640 B12R0.5 CCCCOCCCNCCOC 2230a_200000211371_100011201679 [1,0,0,0,0,0|2,0,1]=4 1641 B12R0.5 CCCCOCCCNCCOC 34a_200000211371_100011201679 [1,0,0,0,0,0|2,0,1]=4 1642 B12R0.5 CCCCOCCCNCCSC 2230a_200000211371_100000751147 [1,0,0,0,0,0|2,0,1]=4 1643 B12R0.5 CCCCOCCCNCCSC 34a_200000211371_100000212216 [1,0,0,0,0,0|2,0,1]=4 1644 B12R0.5 CCCCOCCCOCCCC 34a_200011215613_100000210210 [1,0,0,0,0,0|1,0,1]=3 1645 B12R0.5 CCCCOCCCOCCCC 7a_200011215613_100000210211 [1,0,0,0,0,0|1,0,1]=3 1646 B12R0.5 CCCCOCCCOCCCF 34a_200011215613_100011934791 [1,0,0,0,0,0|2,0,1]=4 1647 B12R0.5 CCCCOCCCOCCCF 7a_200011215613_100011934791 [1,0,0,0,0,0|2,0,1]=4 1648 B12R0.5 CCCCOCCCOCCCN 34a_100011310245_100000210210 [1,0,0,0,0,0|2,0,1]=4 1649 B12R0.5 CCCCOCCCOCCCO 34a_200011215613_100000230001 [1,0,0,0,0,0|2,0,1]=4 1650 B12R0.5 CCCCOCCCOCCCO 7a_200011215613_100011215043 [1,0,0,0,0,0|2,0,1]=4 1651 B12R0.5 CCCCOCCCOCCOC 34a_100000210227_100011216529 [1,0,0,0,0,0|2,0,1]=4 1652 B12R0.5 CCCCOCCCOCCOC 34a_200011215613_100011201679 [1,0,0,0,0,0|2,0,1]=4 1653 B12R0.5 CCCCOCCCOCCOC 7a_100000210227_100011216529 [1,0,0,0,0,0|2,0,1]=4 1654 B12R0.5 CCCCOCCCOCCOC 7a_200011215613_100000233755 [1,0,0,0,0,0|2,0,1]=4 1655 B12R0.5 CCCCOCCCOCCSC 34a_200011215613_100000212216 [1,0,0,0,0,0|2,0,1]=4 1656 B12R0.5 CCCCOCCCOCCSC 7a_200011215613_100000212216 [1,0,0,0,0,0|2,0,1]=4 1657 B12R0.5 CCCCOCCNCCCCO 2230a_100000750430_100000743108 [1,0,0,0,0,0|2,0,1]=4 1658 B12R0.5 CCCCOCCNCCCCO 34a_100000750430_100000743108 [1,0,0,0,0,0|2,0,1]=4 1659 B12R0.5 CCCCOCCNCCCOC 34a_100150723488_100000743108 [1,0,0,0,0,0|2,0,1]=4 1660 B12R0.5 CCCCOCCNCCCSC 2230a_100000749238_100000743108 [1,0,0,0,0,0|2,0,1]=4 1661 B12R0.5 CCCCOCCNCCOCC 2230a_102516460346_100000743108 [1,0,0,0,0,0|2,0,1]=4 1662 B12R0.5 CCCCOCCNCCOCC 34a_102516460346_100000743108 [1,0,0,0,0,0|2,0,1]=4 1663 B12R0.5 CCCCOCCNCCSCC 2230a_100000106463_100000743108 [1,0,0,0,0,0|2,0,1]=4 1664 B12R0.5 CCCCOCCOCCCCBr 34a_100011216708_100000743108 [1,0,0,0,0,0|2,0,1]=4 1665 B12R0.5 CCCCOCCOCCCCCl 34a_100000210776_100000743108 [1,0,0,0,0,0|2,0,1]=4 1666 B12R0.5 CCCCOCCOCCCCCl 7a_100000210776_100000743108 [1,0,0,0,0,0|2,0,1]=4 1667 B12R0.5 CCCCOCCOCCCCF 34a_100000210238_100000729493 [1,0,0,0,0,0|2,0,1]=4 1668 B12R0.5 CCCCOCCOCCCCF 34a_100011995726_100000743108 [1,0,0,0,0,0|2,0,1]=4 1669 B12R0.5 CCCCOCCOCCCCF 7a_100000210238_100000729493 [1,0,0,0,0,0|2,0,1]=4 1670 B12R0.5 CCCCOCCOCCCCF 7a_100011995726_100000743108 [1,0,0,0,0,0|2,0,1]=4 1671 B12R0.5 CCCCOCCOCCCCI 34a_200012148704_100000743108 [1,0,0,0,0,0|2,0,1]=4 1672 B12R0.5 CCCCOCCOCCCCN 34a_100000750430_100000743108 [1,0,0,0,0,0|2,0,1]=4 1673 B12R0.5 CCCCOCCOCCCCO 34a_100000210238_100011216708 [1,0,0,0,0,0|2,0,1]=4 1674 B12R0.5 CCCCOCCOCCCCO 7a_100000210238_100000210776 [1,0,0,0,0,0|2,0,1]=4 1675 B12R0.5 CCCCOCCOCCCNC 34a_100000213112_100000743108 [1,0,0,0,0,0|2,0,1]=4 1676 B12R0.5 CCCCOCCOCCCOC 34a_100000210238_100000740836 [1,0,0,0,0,0|2,0,1]=4 1677 B12R0.5 CCCCOCCOCCCOC 34a_100000740835_100000743108 [1,0,0,0,0,0|2,0,1]=4 1678 B12R0.5 CCCCOCCOCCCOC 7a_100000210238_100000740836 [1,0,0,0,0,0|2,0,1]=4 1679 B12R0.5 CCCCOCCOCCCSC 34a_100000690336_100000743108 [1,0,0,0,0,0|2,0,1]=4 1680 B12R0.5 CCCCOCCOCCCSC 7a_100000690336_100000743108 [1,0,0,0,0,0|2,0,1]=4 1681 B12R0.5 CCCCOCCOCCOCC 34a_100000210136_100000743108 [1,0,0,0,0,0|2,0,1]=4 1682 B12R0.5 CCCCOCCOCCOCC 34a_100000210227_100011211534 [1,0,0,0,0,0|2,0,1]=4 1683 B12R0.5 CCCCOCCOCCOCC 34a_100000210238_100000210147 [1,0,0,0,0,0|2,0,1]=4 1684 B12R0.5 CCCCOCCOCCOCC 34a_100000210240_100000210210 [1,0,0,0,0,0|2,0,1]=4 1685 B12R0.5 CCCCOCCOCCOCC 34a_100011215186_100000210202 [1,0,0,0,0,0|2,0,1]=4 1686 B12R0.5 CCCCOCCOCCOCC 7a_100000210136_100000743108 [1,0,0,0,0,0|2,0,1]=4 1687 B12R0.5 CCCCOCCOCCOCC 7a_100000210227_100011211534 [1,0,0,0,0,0|2,0,1]=4 1688 B12R0.5 CCCCOCCOCCOCC 7a_100000210238_100011215890 [1,0,0,0,0,0|2,0,1]=4 1689 B12R0.5 CCCCOCCOCCOCC 7a_100000210240_100000210211 [1,0,0,0,0,0|2,0,1]=4 1690 B12R0.5 CCCCOCCOCCOCC 7a_100011215186_100000210202 [1,0,0,0,0,0|2,0,1]=4 1691 B12R0.5 CCCCOCCOCCSCC 34a_100000210238_100000757381 [1,0,0,0,0,0|2,0,1]=4 1692 B12R0.5 CCCCOCCOCCSCC 34a_100000212035_100000743108 [1,0,0,0,0,0|2,0,1]=4 1693 B12R0.5 CCCCOCCOCCSCC 7a_100000210238_100000757381 [1,0,0,0,0,0|2,0,1]=4 1694 B12R0.5 CCCCOCCOCCSCC 7a_100000212035_100000743108 [1,0,0,0,0,0|2,0,1]=4 1695 B12R0.5 CCCCOCCSCCCCF 62a_100000729493_100000743108 [1,0,0,0,0,0|2,0,1]=4 1696 B12R0.5 CCCCOCCSCCCCF 62a_100000743108_100000729493 [1,0,0,0,0,0|2,0,1]=4 1697 B12R0.5 CCCCOCCSCCCCO 62a_100000210776_100000743108 [1,0,0,0,0,0|2,0,1]=4 1698 B12R0.5 CCCCOCCSCCCCO 62a_100000743108_100000210776 [1,0,0,0,0,0|2,0,1]=4 1699 B12R0.5 CCCCOCCSCCCOC 62a_100000709357_100000743108 [1,0,0,0,0,0|2,0,1]=4 1700 B12R0.5 CCCCOCCSCCCOC 62a_100000743108_100000709357 [1,0,0,0,0,0|2,0,1]=4 1701 B12R0.5 CCCCOCCSCCOCC 62a_100000210147_100000743108 [1,0,0,0,0,0|2,0,1]=4 1702 B12R0.5 CCCCOCCSCCOCC 62a_100000743108_100011215890 [1,0,0,0,0,0|2,0,1]=4 1703 B12R0.5 CCCCOCCSCCSCC 62a_100000743108_100000757381 [1,0,0,0,0,0|2,0,1]=4 1704 B12R0.5 CCCCOCCSCCSCC 62a_100000757381_100000743108 [1,0,0,0,0,0|2,0,1]=4 1705 B12R0.5 CCCCOCNCCCCCO 2230a_100000762737_100011995733 [1,0,0,0,0,0|2,0,1]=4 1706 B12R0.5 CCCCOCNCCCCCO 34a_100000762737_100011995733 [1,0,0,0,0,0|2,0,1]=4 1707 B12R0.5 CCCCOCNCCCOCC 2230a_100000210961_100011995733 [1,0,0,0,0,0|2,0,1]=4 1708 B12R0.5 CCCCOCNCCCOCC 34a_100000210961_100011995733 [1,0,0,0,0,0|2,0,1]=4 1709 B12R0.5 CCCCOCNCCOCCC 2230a_100161115042_100011995733 [1,0,0,0,0,0|2,0,1]=4 1710 B12R0.5 CCCCOCNCCOCCC 34a_100161115042_100011995733 [1,0,0,0,0,0|2,0,1]=4 1711 B12R0.5 CCCCOCNCCSCCC 2230a_100020603323_100011995733 [1,0,0,0,0,0|2,0,1]=4 1712 B12R0.5 CCCCOCOCCCCCBr 34a_100000746331_100011995733 [1,0,0,0,0,0|2,0,1]=4 1713 B12R0.5 CCCCOCOCCCCCCl 34a_100000746330_100011995733 [1,0,0,0,0,0|2,0,1]=4 1714 B12R0.5 CCCCOCOCCCCCI 34a_200012148887_100011995733 [1,0,0,0,0,0|2,0,1]=4 1715 B12R0.5 CCCCOCOCCCCCN 34a_100000762737_100011995733 [1,0,0,0,0,0|2,0,1]=4 1716 B12R0.5 CCCCOCOCCCCOC 34a_100000740925_100011995733 [1,0,0,0,0,0|2,0,1]=4 1717 B12R0.5 CCCCOCOCCCCSC 34a_100011217163_100011995733 [1,0,0,0,0,0|2,0,1]=4 1718 B12R0.5 CCCCOCOCCCOCC 34a_100000757476_100011995733 [1,0,0,0,0,0|2,0,1]=4 1719 B12R0.5 CCCCOCOCCCSCC 34a_100011216438_100011995733 [1,0,0,0,0,0|2,0,1]=4 1720 B12R0.5 CCCCOCOCCOCCC 34a_100000752267_100011995733 [1,0,0,0,0,0|2,0,1]=4 1721 B12R0.5 CCCCOCOCCSCCC 34a_200000230433_100011995733 [1,0,0,0,0,0|2,0,1]=4 1722 B12R0.5 CCCCOCSCCCCCF 62a_100000729378_100011995733 [1,0,0,0,0,0|2,0,1]=4 1723 B12R0.5 CCCCOCSCCCCCF 62a_100011995733_100000729378 [1,0,0,0,0,0|2,0,1]=4 1724 B12R0.5 CCCCOCSCCCCCO 62a_100000746330_100011995733 [1,0,0,0,0,0|2,0,1]=4 1725 B12R0.5 CCCCOCSCCCCCO 62a_100011995733_100000746330 [1,0,0,0,0,0|2,0,1]=4 1726 B12R0.5 CCCCOCSCCCCOC 62a_100000730899_100011995733 [1,0,0,0,0,0|2,0,1]=4 1727 B12R0.5 CCCCOCSCCCCOC 62a_100011995733_100000730899 [1,0,0,0,0,0|2,0,1]=4 1728 B12R0.5 CCCCOCSCCCOCC 62a_100011995733_100012232248 [1,0,0,0,0,0|2,0,1]=4 1729 B12R0.5 CCCCOCSCCCOCC 62a_100012232248_100011995733 [1,0,0,0,0,0|2,0,1]=4 1730 B12R0.5 CCCCOCSCCOCCC 62a_100011215938_100011995733 [1,0,0,0,0,0|2,0,1]=4 1731 B12R0.5 CCCCOCSCCOCCC 62a_100011995733_100011215938 [1,0,0,0,0,0|2,0,1]=4 1732 B12R0.5 CCCCOCSCOCCCC 62a_100011995733_100011995733 [1,0,0,0,0,0|2,0,1]=4 1733 B12R0.5 CCCCSCCCCCCCO 62a_100000210211_100000760002 [1,0,0,0,0,0|1,1,1]=4 1734 B12R0.5 CCCCSCCCCCCCO 62a_100000760002_100000210210 [1,0,0,0,0,0|1,1,1]=4 1735 B12R0.5 CCCCSCCCCCCOC 62a_100000210211_100011998445 [1,0,0,0,0,0|1,1,1]=4 1736 B12R0.5 CCCCSCCCCCCOC 62a_100011998445_100000210210 [1,0,0,0,0,0|1,1,1]=4 1737 B12R0.5 CCCCSCCCOCCOC 62a_100000210211_100011216529 [1,0,0,0,0,0|2,0,1]=4 1738 B12R0.5 CCCCSCCCOCCOC 62a_100011216529_100000210210 [1,0,0,0,0,0|2,0,1]=4 1739 B12R0.5 CCCNCCCCCCCCO 2230a_102515433106_100000210303 [1,0,0,0,0,0|3,0,0]=4 1740 B12R0.5 CCCNCCCCCCCCO 34a_102515433106_100000210303 [1,0,0,0,0,0|3,0,0]=4 1741 B12R0.5 CCCOCCCCCCCCBr 34a_100009813846_100000210303 [1,0,0,0,0,0|3,0,0]=4 1742 B12R0.5 CCCOCCCCCCCCBr 7a_100009813846_100000210303 [1,0,0,0,0,0|3,0,0]=4 1743 B12R0.5 CCCOCCCCCCCCCl 34a_100000033203_100000210303 [1,0,0,0,0,0|3,0,0]=4 1744 B12R0.5 CCCOCCCCCCCCCl 7a_100000033203_100000210303 [1,0,0,0,0,0|3,0,0]=4 1745 B12R0.5 CCCOCCCCCCCCN 34a_102515433106_100000210303 [1,0,0,0,0,0|3,0,0]=4 1746 B12R0.5 CCCOCCCCCCCCO 34a_100000210258_100000033203 [1,0,0,0,0,0|3,0,0]=4 1747 B12R0.5 CCCSCCCCCCCCO 62a_100000033203_100000210303 [1,0,0,0,0,0|3,0,0]=4 1748 B12R0.5 CCCSCCCCCCCCO 62a_100000210303_100000033203 [1,0,0,0,0,0|3,0,0]=4 1749 B12R0.5 COCCCCCCOCCCBr 34a_100011217188_100011998445 [1,0,0,0,0,0|2,0,1]=4 1750 B12R0.5 COCCCCCCOCCCCl 34a_100000230001_100011998445 [1,0,0,0,0,0|2,0,1]=4 1751 B12R0.5 COCCCCCCOCCCF 34a_100000759539_100011998445 [1,0,0,0,0,0|2,0,1]=4 1752 B12R0.5 COCCCCCCOCCCF 34a_200012092642_100011934791 [1,0,0,0,0,0|2,0,1]=4 1753 B12R0.5 COCCCCCCOCCCF 7a_200012092642_100011934791 [1,0,0,0,0,0|2,0,1]=4 1754 B12R0.5 COCCCCCCOCCCN 34a_100000182051_100011998445 [1,0,0,0,0,0|2,0,1]=4 1755 B12R0.5 COCCCCCCOCCCO 34a_200012092642_100000230001 [1,0,0,0,0,0|2,0,1]=4 1756 B12R0.5 COCCCCCCOCCCO 7a_200012092642_100011215043 [1,0,0,0,0,0|2,0,1]=4 1757 B12R0.5 COCCCCCCOCCOC 34a_100000210237_100011998445 [1,0,0,0,0,0|2,0,1]=4 1758 B12R0.5 COCCCCCCOCCOC 34a_200012092642_100011201679 [1,0,0,0,0,0|2,0,1]=4 1759 B12R0.5 COCCCCCCOCCOC 7a_200012092642_100000233755 [1,0,0,0,0,0|2,0,1]=4 1760 B12R0.5 COCCCCCCOCCSC 34a_100000230434_100011998445 [1,0,0,0,0,0|2,0,1]=4 1761 B12R0.5 COCCCCCCOCCSC 34a_200012092642_100000212216 [1,0,0,0,0,0|2,0,1]=4 1762 B12R0.5 COCCCCCCOCCSC 7a_100000230434_100011998445 [1,0,0,0,0,0|2,0,1]=4 1763 B12R0.5 COCCCCCCOCCSC 7a_200012092642_100000212216 [1,0,0,0,0,0|2,0,1]=4 1764 B12R0.5 COCCOCCCCCCCBr 34a_100000760002_100011201679 [1,0,0,0,0,0|2,0,1]=4 1765 B12R0.5 COCCOCCCCCCCBr 7a_100000760002_100000233755 [1,0,0,0,0,0|2,0,1]=4 1766 B12R0.5 COCCOCCCCCCCN 34a_100011996573_100011201679 [1,0,0,0,0,0|2,0,1]=4 1767 B12R0.5 COCCOCCCCCCCO 34a_100000210237_100000760002 [1,0,0,0,0,0|2,0,1]=4 1768 B12R0.5 CSCCOCCCCCCCBr 34a_100000760002_100000212216 [1,0,0,0,0,0|2,0,1]=4 1769 B12R0.5 CSCCOCCCCCCCBr 7a_100000760002_100000212216 [1,0,0,0,0,0|2,0,1]=4 1770 B12R0.5 CSCCOCCCCCCCN 34a_100011996573_100000212216 [1,0,0,0,0,0|2,0,1]=4 1771 B12R0.5 CSCCOCCCCCCCO 34a_100000230434_100000760002 [1,0,0,0,0,0|2,0,1]=4 1772 B12R0.5 CSCCOCCCCCCCO 7a_100000230434_100000760002 [1,0,0,0,0,0|2,0,1]=4 1773 B12R0.5 FCCCOCCCCCCCBr 34a_100000760002_100011934791 [1,0,0,0,0,0|2,0,1]=4 1774 B12R0.5 FCCCOCCCCCCCBr 7a_100000760002_100011934791 [1,0,0,0,0,0|2,0,1]=4 1775 B12R0.5 NCCCCCCCOCCCF 34a_100011996573_100011934791 [1,0,0,0,0,0|2,0,1]=4 1776 B12R0.5 NCCCCCCCOCCCO 34a_100011996573_100000230001 [1,0,0,0,0,0|2,0,1]=4 1777 B12R0.5 NCCCOCCCCCCCO 34a_100000182051_100000760002 [1,0,0,0,0,0|2,0,1]=4 1778 B12R0.5 OCCCCCCCOCCCBr 34a_100011217188_100000760002 [1,0,0,0,0,0|2,0,1]=4 1779 B12R0.5 OCCCCCCCOCCCCl 34a_100000230001_100000760002 [1,0,0,0,0,0|2,0,1]=4 1780 B12R0.5 OCCCCCCCOCCCF 34a_100000759539_100000760002 [1,0,0,0,0,0|2,0,1]=4 1781 B12R0.5 OCCCOCCCCCCCBr 34a_100000760002_100000230001 [1,0,0,0,0,0|2,0,1]=4 1782 B12R0.5 OCCCOCCCCCCCBr 7a_100000760002_100011215043 [1,0,0,0,0,0|2,0,1]=4 1783 B12R0.248 C#CC(=O)CCCCCCCCC 1458a_100000211873_100000210670 [1,0,0,0,0,0|1,0,2]=4 1784 B12R0.248 C#CCCCCCCCC(=O)CC 1458a_100000087357_100000210202 [1,0,0,0,0,0|1,0,2]=4 1785 B12R0.248 C#CCCCCCCCC(=O)CC 1458a_100000210414_100153394163 [1,0,0,0,0,0|1,0,2]=4 1786 B12R0.248 C#CCCCOCCOC(=O)CC 7a_200000031056_100011215417 [1,0,0,0,0,0|1,0,2]=4 1787 B12R0.248 C=CC(=O)CCCCCCCCC 1458a_100000185746_100000210670 [1,0,0,0,0,0|1,0,2]=4 1788 B12R0.248 C=CC(=O)NCCCCCCCC 1626a_100000229939_100000185746 [1,0,0,0,0,0|1,0,2]=4 1789 B12R0.248 C=CC(=O)NCCCCCCCC 240690a_100000229939_200121576911 [1,0,0,0,0,0|1,0,2]=4 1790 B12R0.248 C=CC(=O)OCCCCCCNC 2230a_106832991635_100009894100 [1,0,0,0,0,0|1,0,2]=4 1791 B12R0.248 C=CC(=O)OCCCCCCNC 34a_100102657272_100009894100 [1,0,0,0,0,0|1,0,2]=4 1792 B12R0.248 C=CC(=O)OCCCCCCNC 7a_106832991635_100009894100 [1,0,0,0,0,0|1,0,2]=4 1793 B12R0.248 C=CC(=O)OCCCCCCOC 34a_100138415774_100009894100 [1,0,0,0,0,0|1,0,2]=4 1794 B12R0.248 C=CC(=O)OCCCCCCSC 62a_100009894100_200000210301 [1,0,0,0,0,0|1,0,2]=4 1795 B12R0.248 C=CC(=O)OCCCCCCSC 62a_200000210301_100009894100 [1,0,0,0,0,0|1,0,2]=4 1796 B12R0.248 C=CC(=O)OCCCCCCS[13CH3] 62a_100009894100_200025704644 [1,0,0,0,0,0|1,0,2]=4 1797 B12R0.248 C=CC(=O)OCCCCCCS[13CH3] 62a_200025704644_100009894100 [1,0,0,0,0,0|1,0,2]=4 1798 B12R0.248 C=CC(=O)OCCCCCOCC 7a_200011023508_100000210202 [1,0,0,0,0,0|1,0,2]=4 1799 B12R0.248 C=CC(=O)OCCNCCCCC 2230a_100000209983_100009813456 [1,0,0,0,0,0|1,0,2]=4 1800 B12R0.248 C=CC(=O)OCCOCCCCC 34a_100000210253_100009813456 [1,0,0,0,0,0|1,0,2]=4 1801 B12R0.248 C=CC(=O)OCCOCCCCC 7a_100000210253_100009813456 [1,0,0,0,0,0|1,0,2]=4 1802 B12R0.248 C=CC(=O)OCCSCCCCC 62a_100000210326_100009813456 [1,0,0,0,0,0|1,0,2]=4 1803 B12R0.248 C=CC(=O)OCCSCCCCC 62a_100009813456_100000210326 [1,0,0,0,0,0|1,0,2]=4 1804 B12R0.248 C=CCCCCCCCC(=O)CC 1458a_100000210414_100012355270 [1,0,0,0,0,0|1,0,2]=4 1805 B12R0.248 C=CCCCCCCCC(=O)CC 1458a_100011216160_100000210202 [1,0,0,0,0,0|1,0,2]=4 1806 B12R0.248 C=CCCCOCCOC(=O)CC 7a_200000031056_100000757094 [1,0,0,0,0,0|1,0,2]=4 1807 B12R0.248 CC/C=C\COCCOC(=O)CC 7a_200000031056_100103147603 [1,0,0,0,0,0|1,0,2]=4 1808 B12R0.248 CCC#CCOCCOC(=O)CC 7a_200000031056_100009813939 [1,0,0,0,0,0|1,0,2]=4 1809 B12R0.248 CCC(=O)CCCCCCCCO 1458a_100000210414_100000033203 [1,0,0,0,0,0|2,0,0]=3 1810 B12R0.248 CCC(=O)COCCCCCCBr 7a_100011215345_100000747405 [1,0,0,0,0,0|3,0,0]=4 1811 B12R0.248 CCC(=O)COCCCCCCCl 7a_100000766143_100000747405 [1,0,0,0,0,0|3,0,0]=4 1812 B12R0.248 CCC(=O)COCCCCCCF 34a_100000725409_100015922095 [1,0,0,0,0,0|3,0,0]=4 1813 B12R0.248 CCC(=O)COCCCCCCF 7a_100000732779_100000747405 [1,0,0,0,0,0|3,0,0]=4 1814 B12R0.248 CCC(=O)COCCCCCCO 34a_100000725409_100000766143 [1,0,0,0,0,0|3,0,0]=4 1815 B12R0.248 CCC(=O)CSCCCCCCF 62a_100000747405_100015922095 [1,0,0,0,0,0|3,0,0]=4 1816 B12R0.248 CCC(=O)CSCCCCCCF 62a_100015922095_100000747405 [1,0,0,0,0,0|3,0,0]=4 1817 B12R0.248 CCC(=O)CSCCCCCCO 62a_100000747405_100000766143 [1,0,0,0,0,0|3,0,0]=4 1818 B12R0.248 CCC(=O)CSCCCCCCO 62a_100000766143_100000747405 [1,0,0,0,0,0|3,0,0]=4 1819 B12R0.248 CCC(=O)NCCCCCCCO 240690a_100011996573_100000210414 [1,0,0,0,0,0|2,0,0]=3 1820 B12R0.248 CCC(=O)NCCCOCCCO 240690a_100011310245_100000210414 [1,0,0,0,0,0|3,0,0]=4 1821 B12R0.248 CCC(=O)NCCCOCCOC 1626a_100000206027_100000210414 [1,0,0,0,0,0|3,0,0]=4 1822 B12R0.248 CCC(=O)NCCCOCCOC 240690a_100000206027_100000210414 [1,0,0,0,0,0|3,0,0]=4 1823 B12R0.248 CCC(=O)NCCNCCCCF 34a_100132302217_100000729493 [1,0,0,0,0,0|3,0,0]=4 1824 B12R0.248 CCC(=O)NCCNCCCCO 34a_100132302217_100011216708 [1,0,0,0,0,0|3,0,0]=4 1825 B12R0.248 CCC(=O)NCCNCCCOC 34a_100132302217_100000740836 [1,0,0,0,0,0|3,0,0]=4 1826 B12R0.248 CCC(=O)NCCOCCCCF 34a_200000158885_100000729493 [1,0,0,0,0,0|3,0,0]=4 1827 B12R0.248 CCC(=O)NCCOCCCCF 7a_200000158885_100000729493 [1,0,0,0,0,0|3,0,0]=4 1828 B12R0.248 CCC(=O)NCCOCCCCO 34a_200000158885_100011216708 [1,0,0,0,0,0|3,0,0]=4 1829 B12R0.248 CCC(=O)NCCOCCCCO 7a_200000158885_100000210776 [1,0,0,0,0,0|3,0,0]=4 1830 B12R0.248 CCC(=O)NCCOCCCOC 34a_200000158885_100000740836 [1,0,0,0,0,0|3,0,0]=4 1831 B12R0.248 CCC(=O)NCCOCCCOC 7a_200000158885_100000740836 [1,0,0,0,0,0|3,0,0]=4 1832 B12R0.248 CCC(=O)OCCOCCCC#N 7a_200000031056_100000687738 [1,0,0,0,0,0|2,0,1]=4 1833 B12R0.248 CCC(=O)OCCOCCCC=O 7a_200000031056_200011292268 [1,0,0,0,0,0|2,0,1]=4 1834 B12R0.248 CCC(=O)OCCOCCCCF 7a_200000031056_100000729493 [1,0,0,0,0,0|2,0,0]=3 1835 B12R0.248 CCC(=O)OCCOCCCCO 7a_200000031056_100000210776 [1,0,0,0,0,0|2,0,0]=3 1836 B12R0.248 CCC(=O)OCCOCCCOC 7a_200000031056_100000740836 [1,0,0,0,0,0|2,0,0]=3 1837 B12R0.248 CCC(C)OCCCCCCCBr 34a_100000760002_100011215416 [1,0,0,0,0,0|2,0,1]=4 1838 B12R0.248 CCC(C)OCCCCCCCBr 7a_100000760002_100000758301 [1,0,0,0,0,0|2,0,1]=4 1839 B12R0.248 CCC(C)OCCCCCCCN 34a_100011996573_100011215416 [1,0,0,0,0,0|2,0,1]=4 1840 B12R0.248 CCC(C)OCCCCCCCO 7a_100000210228_100000760002 [1,0,0,0,0,0|2,0,1]=4 1841 B12R0.248 CCC(C)OCCCCCCOC 34a_200012092642_100011215416 [1,0,0,0,0,0|2,0,1]=4 1842 B12R0.248 CCC(C)OCCCCCCOC 7a_100000210228_100011998445 [1,0,0,0,0,0|2,0,1]=4 1843 B12R0.248 CCC(C)OCCCCCCOC 7a_200012092642_100000758301 [1,0,0,0,0,0|2,0,1]=4 1844 B12R0.248 CCCCC#CCCCC(=O)CC 1458a_100000210414_200000047210 [1,0,0,0,0,0|1,0,2]=4 1845 B12R0.248 CCCCC/C=C/CCC(=O)CC 1458a_200015255902_100000210202 [1,0,0,0,0,0|1,0,2]=4 1846 B12R0.248 CCCCCC/C=C/CC(=O)CC 1458a_100020681715_100000210202 [1,0,0,0,0,0|1,0,2]=4 1847 B12R0.248 CCCCCCC=NNC(=O)CC 4a_100000183195_100000234349 [1,0,0,0,0,0|2,0,1]=4 1848 B12R0.248 CCCCCCCC=CC(=O)CC 1458a_200015332781_100000210202 [1,0,0,0,0,0|1,0,1]=3 1849 B12R0.248 CCCCCCCC=CC(=O)CF 1458a_200015332781_100015361967 [1,0,0,0,0,0|2,0,1]=4 1850 B12R0.248 CCCCCCCC=CC(=O)NC 11a_106832991635_200015332781 [1,0,0,0,0,0|2,0,1]=4 1851 B12R0.248 CCCCCCCC=CC(=O)NC 1626a_100102657272_200015332781 [1,0,0,0,0,0|2,0,1]=4 1852 B12R0.248 CCCCCCCC=CC(=O)NC 240690a_100102657272_200015332781 [1,0,0,0,0,0|2,0,1]=4 1853 B12R0.248 CCCCCCCCCC(=O)CC 1458a_100000210414_100000210670 [1,0,0,0,0,0|1,0,0]=2 1854 B12R0.248 CCCCCCCCCC(=O)CC 1458a_100000210558_100000210202 [1,0,0,0,0,0|1,0,0]=2 1855 B12R0.248 CCCCCCCCCC(=O)CF 1458a_100000210558_100015361967 [1,0,0,0,0,0|2,0,0]=3 1856 B12R0.248 CCCCCCCCCC(=O)CO 1458a_100000210174_100000210670 [1,0,0,0,0,0|2,0,0]=3 1857 B12R0.248 CCCCCCCCCC(=O)NC 11a_106832991635_100000210558 [1,0,0,0,0,0|2,0,0]=3 1858 B12R0.248 CCCCCCCCCC(=O)NC 1626a_100102657272_100000210558 [1,0,0,0,0,0|2,0,0]=3 1859 B12R0.248 CCCCCCCCCC(=O)NC 240690a_100102657272_100000210558 [1,0,0,0,0,0|2,0,0]=3 1860 B12R0.248 CCCCCCCCCC(=O)NC 527a_100102657272_100000210558 [1,0,0,0,0,0|2,0,0]=3 1861 B12R0.248 CCCCCCCCCN(C)CC 2230a_100000225621_100011214924 [1,0,0,0,0,0|3,0,0]=4 1862 B12R0.248 CCCCCCCCCN(C)CC 2230a_100000232482_100000210202 [1,0,0,0,0,0|3,0,0]=4 1863 B12R0.248 CCCCCCCCCN(C)CC 269982a_100000225621_100000210670 [1,0,0,0,0,0|3,0,0]=4 1864 B12R0.248 CCCCCCCCCN(C)CC 269982a_100000232482_100000204670 [1,0,0,0,0,0|3,0,0]=4 1865 B12R0.248 CCCCCCCCNC(=O)CC 11a_100000229939_100000210414 [1,0,0,0,0,0|1,0,0]=2 1866 B12R0.248 CCCCCCCCNC(=O)CC 1626a_100000229939_100000210414 [1,0,0,0,0,0|1,0,0]=2 1867 B12R0.248 CCCCCCCCNC(=O)CC 240690a_100000229939_100000210414 [1,0,0,0,0,0|1,0,0]=2 1868 B12R0.248 CCCCCCCCNC(=O)CC 527a_100000229939_100000210414 [1,0,0,0,0,0|1,0,0]=2 1869 B12R0.248 CCCCCCCCNC(=O)CO 240690a_100000229939_100000210174 [1,0,0,0,0,0|2,0,0]=3 1870 B12R0.248 CCCCCCCCNC(=O)CO 527a_100000229939_100000210174 [1,0,0,0,0,0|2,0,0]=3 1871 B12R0.248 CCCCCCCCNC(=O)NC 2708a_100000229939_106832991635 [1,0,0,0,0,0|2,0,0]=3 1872 B12R0.248 CCCCCCCCNC(=O)NC 2708a_100102657272_100000229939 [1,0,0,0,0,0|2,0,0]=3 1873 B12R0.248 CCCCCCCCNC(=O)NC 273464a_100000229939_100102657272 [1,0,0,0,0,0|2,0,0]=3 1874 B12R0.248 CCCCCCCCNC(=O)NC 273464a_100102657272_100000229939 [1,0,0,0,0,0|2,0,0]=3 1875 B12R0.248 CCCCCCCCNC(=O)NC 512a_100000229939_100102657272 [1,0,0,0,0,0|2,0,0]=3 1876 B12R0.248 CCCCCCCCNC(=O)NC 512a_106832991638_100000229939 [1,0,0,0,0,0|2,0,0]=3 1877 B12R0.248 CCCCCCCCNC(C)CC 2230a_100000209981_100000210759 [1,0,0,0,0,0|2,0,1]=4 1878 B12R0.248 CCCCCCCCNC(C)CC 2230a_100000229939_100000758301 [1,0,0,0,0,0|2,0,1]=4 1879 B12R0.248 CCCCCCCCNC(C)CC 34a_100000229939_100011215416 [1,0,0,0,0,0|2,0,1]=4 1880 B12R0.248 CCCCCCCCOC(C)CC 34a_100000210232_100011215416 [1,0,0,0,0,0|1,0,1]=3 1881 B12R0.248 CCCCCCCCOC(C)CC 7a_100000210228_100000210759 [1,0,0,0,0,0|1,0,1]=3 1882 B12R0.248 CCCCCCCCOC(C)CC 7a_100000210232_100000758301 [1,0,0,0,0,0|1,0,1]=3 1883 B12R0.248 CCCCCCCCOC(C)CF 34a_100016041109_100000210759 [1,0,0,0,0,0|2,0,1]=4 1884 B12R0.248 CCCCCCCCOC(C)CF 7a_100016041109_100000210759 [1,0,0,0,0,0|2,0,1]=4 1885 B12R0.248 CCCCCCCCOC(C)CN 34a_100000210904_100000210759 [1,0,0,0,0,0|2,0,1]=4 1886 B12R0.248 CCCCCCCCOC(C)CO 34a_100000210232_100012180447 [1,0,0,0,0,0|2,0,1]=4 1887 B12R0.248 CCCCCCCCOC(C)CO 7a_100000210232_100012180447 [1,0,0,0,0,0|2,0,1]=4 1888 B12R0.248 CCCCCCCCSC(C)CC 62a_100000210759_100000758301 [1,0,0,0,0,0|1,1,1]=4 1889 B12R0.248 CCCCCCCCSC(C)CC 62a_100000758301_100000210317 [1,0,0,0,0,0|1,1,1]=4 1890 B12R0.248 CCCCCCCNCC(=O)NC 2230a_100000229938_100000183359 [1,0,0,0,0,0|3,0,0]=4 1891 B12R0.248 CCCCCCCNCC(=O)NC 2230a_100000693194_100000210681 [1,0,0,0,0,0|3,0,0]=4 1892 B12R0.248 CCCCCCCNCC(=O)OC 2230a_100000229938_100000747449 [1,0,0,0,0,0|3,0,0]=4 1893 B12R0.248 CCCCCCCOCC(=O)CC 34a_100000725409_100000210614 [1,0,0,0,0,0|2,0,0]=3 1894 B12R0.248 CCCCCCCOCC(=O)CC 7a_100000210272_100000747405 [1,0,0,0,0,0|2,0,0]=3 1895 B12R0.248 CCCCCCCOCC(=O)NC 34a_100000210272_100000183359 [1,0,0,0,0,0|3,0,0]=4 1896 B12R0.248 CCCCCCCOCC(=O)NC 34a_100000750040_100000210614 [1,0,0,0,0,0|3,0,0]=4 1897 B12R0.248 CCCCCCCOCC(=O)NC 7a_100000210272_100000183359 [1,0,0,0,0,0|3,0,0]=4 1898 B12R0.248 CCCCCCCOCC(=O)OC 34a_100000210272_100000747449 [1,0,0,0,0,0|3,0,0]=4 1899 B12R0.248 CCCCCCCOCC(=O)OC 7a_100000210272_100000747449 [1,0,0,0,0,0|3,0,0]=4 1900 B12R0.248 CCCCCCCSCC(=O)CC 62a_100000210614_100000747405 [1,0,0,0,0,0|2,0,0]=3 1901 B12R0.248 CCCCCCCSCC(=O)CC 62a_100000747405_100000210316 [1,0,0,0,0,0|2,0,0]=3 1902 B12R0.248 CCCCCCCSCC(=O)NC 62a_100000183359_100000210316 [1,0,0,0,0,0|3,0,0]=4 1903 B12R0.248 CCCCCCCSCC(=O)NC 62a_100000210614_100000183359 [1,0,0,0,0,0|3,0,0]=4 1904 B12R0.248 CCCCCCCSCC(=O)OC 62a_100000210614_100000747449 [1,0,0,0,0,0|3,0,0]=4 1905 B12R0.248 CCCCCCCSCC(=O)OC 62a_100000747449_100000210316 [1,0,0,0,0,0|3,0,0]=4 1906 B12R0.248 CCCCCCNCCC(=O)NC 2230a_100000210581_100000737683 [1,0,0,0,0,0|3,0,0]=4 1907 B12R0.248 CCCCCCNCCC(=O)NC 2230a_100000738227_100000210314 [1,0,0,0,0,0|3,0,0]=4 1908 B12R0.248 CCCCCCNCCC(=O)NC 34a_100000738227_100000210314 [1,0,0,0,0,0|3,0,0]=4 1909 B12R0.248 CCCCCCNCCC(=O)OC 2230a_100000210581_100000204255 [1,0,0,0,0,0|3,0,0]=4 1910 B12R0.248 CCCCCCOCCC(=O)NC 34a_100000210259_100012179268 [1,0,0,0,0,0|3,0,0]=4 1911 B12R0.248 CCCCCCOCCC(=O)NC 34a_100000754576_100000210314 [1,0,0,0,0,0|3,0,0]=4 1912 B12R0.248 CCCCCCOCCC(=O)NC 7a_100000210259_100000737683 [1,0,0,0,0,0|3,0,0]=4 1913 B12R0.248 CCCCCCOCCC(=O)OC 34a_100000210259_100000742370 [1,0,0,0,0,0|3,0,0]=4 1914 B12R0.248 CCCCCCOCCC(=O)OC 7a_100000210259_100000204255 [1,0,0,0,0,0|3,0,0]=4 1915 B12R0.248 CCCCCCSCCC(=O)NC 62a_100000210314_100000737683 [1,0,0,0,0,0|3,0,0]=4 1916 B12R0.248 CCCCCCSCCC(=O)NC 62a_100000737683_100000210757 [1,0,0,0,0,0|3,0,0]=4 1917 B12R0.248 CCCCCCSCCC(=O)OC 62a_100000204255_100000210757 [1,0,0,0,0,0|3,0,0]=4 1918 B12R0.248 CCCCCCSCCC(=O)OC 62a_100000210314_100000204255 [1,0,0,0,0,0|3,0,0]=4 1919 B12R0.248 CCCCCCSCOC(=O)OC 62a_100000210314_100000139417 [1,0,0,0,0,0|2,0,0]=3 1920 B12R0.248 CCCCCNCCCC(=O)NC 2230a_100000209983_100000741757 [1,0,0,0,0,0|3,0,0]=4 1921 B12R0.248 CCCCCNCCCC(=O)NC 2230a_100000740002_100000210326 [1,0,0,0,0,0|3,0,0]=4 1922 B12R0.248 CCCCCNCCCC(=O)NC 34a_100000740002_100000718602 [1,0,0,0,0,0|3,0,0]=4 1923 B12R0.248 CCCCCNCCCC(=O)OC 2230a_100000209983_100011218270 [1,0,0,0,0,0|3,0,0]=4 1924 B12R0.248 CCCCCNCCNC(=O)CC 34a_100132302217_100000718602 [1,0,0,0,0,0|2,0,0]=3 1925 B12R0.248 CCCCCNCCNC(=O)NC 34a_100015205895_100000718602 [1,0,0,0,0,0|3,0,0]=4 1926 B12R0.248 CCCCCNCCOC(C)CC 34a_100000224656_100011215416 [1,0,0,0,0,0|2,0,1]=4 1927 B12R0.248 CCCCCOCCCC(=O)NC 34a_100000210253_100000741757 [1,0,0,0,0,0|3,0,0]=4 1928 B12R0.248 CCCCCOCCCC(=O)NC 7a_100000210253_100000741757 [1,0,0,0,0,0|3,0,0]=4 1929 B12R0.248 CCCCCOCCCC(=O)OC 34a_100000210253_100000742333 [1,0,0,0,0,0|3,0,0]=4 1930 B12R0.248 CCCCCOCCCC(=O)OC 7a_100000210253_100011218270 [1,0,0,0,0,0|3,0,0]=4 1931 B12R0.248 CCCCCOCCNC(=O)CC 34a_200000158885_100000718602 [1,0,0,0,0,0|2,0,0]=3 1932 B12R0.248 CCCCCOCCNC(=O)CC 7a_200000158885_100000210326 [1,0,0,0,0,0|2,0,0]=3 1933 B12R0.248 CCCCCOCCNC(=O)OC 34a_100000757965_100000718602 [1,0,0,0,0,0|3,0,0]=4 1934 B12R0.248 CCCCCOCCOC(=O)CC 7a_200000031056_100000210326 [1,0,0,0,0,0|1,0,0]=2 1935 B12R0.248 CCCCCOCCOC(=O)NC 34a_100000210253_200011997002 [1,0,0,0,0,0|2,0,0]=3 1936 B12R0.248 CCCCCOCCOC(=O)NC 7a_100000210253_200011997002 [1,0,0,0,0,0|2,0,0]=3 1937 B12R0.248 CCCCCOCCOC(=O)OC 34a_100010262106_100000718602 [1,0,0,0,0,0|2,0,0]=3 1938 B12R0.248 CCCCCOCCOC(C)CC 34a_100011215259_100011215416 [1,0,0,0,0,0|2,0,1]=4 1939 B12R0.248 CCCCCOCCOC(C)CC 7a_100011215259_100000758301 [1,0,0,0,0,0|2,0,1]=4 1940 B12R0.248 CCCCCSCCCC(=O)NC 62a_100000210326_100000741757 [1,0,0,0,0,0|3,0,0]=4 1941 B12R0.248 CCCCCSCCCC(=O)NC 62a_100000741757_100000210326 [1,0,0,0,0,0|3,0,0]=4 1942 B12R0.248 CCCCCSCCCC(=O)OC 62a_100000210326_100011218270 [1,0,0,0,0,0|3,0,0]=4 1943 B12R0.248 CCCCCSCCCC(=O)OC 62a_100011218270_100000210326 [1,0,0,0,0,0|3,0,0]=4 1944 B12R0.248 CCCCCSCCOC(=O)NC 62a_100000210326_200011997002 [1,0,0,0,0,0|2,0,0]=3 1945 B12R0.248 CCCCCSCCOC(=O)NC 62a_200011997002_100000210326 [1,0,0,0,0,0|2,0,0]=3 1946 B12R0.248 CCCCNCCCCC(=O)OC 2230a_100000102301_100000204269 [1,0,0,0,0,0|3,0,0]=4 1947 B12R0.248 CCCCNCCCCC(=O)OC 7a_106832991798_100000204269 [1,0,0,0,0,0|3,0,0]=4 1948 B12R0.248 CCCCOCCCCC(=O)OC 34a_100000059025_100000210210 [1,0,0,0,0,0|3,0,0]=4 1949 B12R0.248 CCCCOCCCCC(=O)OC 34a_100000210227_100000204269 [1,0,0,0,0,0|3,0,0]=4 1950 B12R0.248 CCCCOCCCCC(=O)OC 7a_100000059025_100000210211 [1,0,0,0,0,0|3,0,0]=4 1951 B12R0.248 CCCCOCCCCC(=O)OC 7a_100000210227_100000204269 [1,0,0,0,0,0|3,0,0]=4 1952 B12R0.248 CCCCOCCCNC(=O)CC 1626a_200000211371_100000210414 [1,0,0,0,0,0|2,0,0]=3 1953 B12R0.248 CCCCOCCCNC(=O)CC 240690a_200000211371_100000210414 [1,0,0,0,0,0|2,0,0]=3 1954 B12R0.248 CCCCOCCCNC(=O)CC 527a_200000211371_100000210414 [1,0,0,0,0,0|2,0,0]=3 1955 B12R0.248 CCCCOCCCNC(=O)CO 240690a_200000211371_100000210174 [1,0,0,0,0,0|3,0,0]=4 1956 B12R0.248 CCCCOCCCNC(=O)CO 527a_200000211371_100000210174 [1,0,0,0,0,0|3,0,0]=4 1957 B12R0.248 CCCCOCCCNC(=O)NC 2708a_100102657272_200000211371 [1,0,0,0,0,0|3,0,0]=4 1958 B12R0.248 CCCCOCCCNC(=O)NC 2708a_200000211371_106832991635 [1,0,0,0,0,0|3,0,0]=4 1959 B12R0.248 CCCCOCCCNC(=O)NC 273464a_100102657272_200000211371 [1,0,0,0,0,0|3,0,0]=4 1960 B12R0.248 CCCCOCCCNC(=O)NC 273464a_200000211371_100102657272 [1,0,0,0,0,0|3,0,0]=4 1961 B12R0.248 CCCCOCCCNC(=O)NC 512a_106832991638_200000211371 [1,0,0,0,0,0|3,0,0]=4 1962 B12R0.248 CCCCOCCCNC(=O)NC 512a_200000211371_100102657272 [1,0,0,0,0,0|3,0,0]=4 1963 B12R0.248 CCCCOCCCOC(C)CC 34a_200011215613_100011215416 [1,0,0,0,0,0|2,0,1]=4 1964 B12R0.248 CCCCOCCCOC(C)CC 7a_200011215613_100000758301 [1,0,0,0,0,0|2,0,1]=4 1965 B12R0.248 CCCCOCCOCC(=O)CC 1458a_100011216887_100000210202 [1,0,0,0,0,0|3,0,0]=4 1966 B12R0.248 CCCCOCCOCC(=O)CC 34a_100000725409_100000743108 [1,0,0,0,0,0|3,0,0]=4 1967 B12R0.248 CCCCOCCOCC(=O)CC 7a_100000210238_100000747405 [1,0,0,0,0,0|3,0,0]=4 1968 B12R0.248 CCCCOCCSCC(=O)CC 62a_100000743108_100000747405 [1,0,0,0,0,0|3,0,0]=4 1969 B12R0.248 CCCCOCCSCC(=O)CC 62a_100000747405_100000743108 [1,0,0,0,0,0|3,0,0]=4 1970 B12R0.248 CCCCOCSCOC(=O)OC 62a_100011995733_100000139417 [1,0,0,0,0,0|3,0,0]=4 1971 B12R0.248 CCCCSCCCCC(=O)OC 62a_100000204269_100000210210 [1,0,0,0,0,0|3,0,0]=4 1972 B12R0.248 CCCCSCCCCC(=O)OC 62a_100000210211_100000204269 [1,0,0,0,0,0|3,0,0]=4 1973 B12R0.248 CCCCSCCOCC(=O)CC 7a_200000230436_100000747405 [1,0,0,0,0,0|3,0,0]=4 1974 B12R0.248 CCCOCCCCCC(=O)OC 34a_100000074720_100000210303 [1,0,0,0,0,0|3,0,0]=4 1975 B12R0.248 CCCOCCCCCC(=O)OC 34a_100000210258_100009816466 [1,0,0,0,0,0|3,0,0]=4 1976 B12R0.248 CCCOCCCCCC(=O)OC 7a_100000074720_100000210303 [1,0,0,0,0,0|3,0,0]=4 1977 B12R0.248 CCCOCCSCOC(=O)OC 62a_100011215938_100000139417 [1,0,0,0,0,0|3,0,0]=4 1978 B12R0.248 CCCSCCCCCC(=O)OC 62a_100000210303_100009816466 [1,0,0,0,0,0|3,0,0]=4 1979 B12R0.248 CCCSCCCCCC(=O)OC 62a_100009816466_100000210303 [1,0,0,0,0,0|3,0,0]=4 1980 B12R0.248 CCNCCCCCCC(=O)OC 2230a_100015525214_100009815986 [1,0,0,0,0,0|3,0,0]=4 1981 B12R0.248 CCOCCCCCCC(=O)OC 34a_100009863599_100000210202 [1,0,0,0,0,0|3,0,0]=4 1982 B12R0.248 CCOCCCCCCC(=O)OC 34a_100121572206_100009815986 [1,0,0,0,0,0|3,0,0]=4 1983 B12R0.248 CCOCCCCCCC(=O)OC 7a_100009863599_100000210202 [1,0,0,0,0,0|3,0,0]=4 1984 B12R0.248 CCOCCCSCOC(=O)OC 62a_100012232248_100000139417 [1,0,0,0,0,0|3,0,0]=4 1985 B12R0.248 CCOCCNCCNC(=O)CC 34a_100132302217_100000210147 [1,0,0,0,0,0|3,0,0]=4 1986 B12R0.248 CCOCCNCCOC(=O)NC 34a_102516460346_200011997002 [1,0,0,0,0,0|3,0,0]=4 1987 B12R0.248 CCOCCOCCNC(=O)CC 11a_100102712874_100000210414 [1,0,0,0,0,0|3,0,0]=4 1988 B12R0.248 CCOCCOCCNC(=O)CC 1626a_100102712874_100000210414 [1,0,0,0,0,0|3,0,0]=4 1989 B12R0.248 CCOCCOCCNC(=O)CC 240690a_100102712874_100000210414 [1,0,0,0,0,0|3,0,0]=4 1990 B12R0.248 CCOCCOCCNC(=O)CC 34a_200000158885_100000210147 [1,0,0,0,0,0|3,0,0]=4 1991 B12R0.248 CCOCCOCCNC(=O)CC 527a_100102712874_100000210414 [1,0,0,0,0,0|3,0,0]=4 1992 B12R0.248 CCOCCOCCNC(=O)CC 7a_200000158885_100011215890 [1,0,0,0,0,0|3,0,0]=4 1993 B12R0.248 CCOCCOCCOC(=O)CC 7a_200000031056_100011215890 [1,0,0,0,0,0|2,0,0]=3 1994 B12R0.248 CCOCCOCCOC(=O)NC 34a_100000210136_200011997002 [1,0,0,0,0,0|3,0,0]=4 1995 B12R0.248 CCOCCOCCOC(=O)NC 7a_100000210136_200011997002 [1,0,0,0,0,0|3,0,0]=4 1996 B12R0.248 CCOCCOCCOC(=O)OC 34a_100010262106_100000210147 [1,0,0,0,0,0|3,0,0]=4 1997 B12R0.248 CCOCCSCCOC(=O)NC 62a_100000210147_200011997002 [1,0,0,0,0,0|3,0,0]=4 1998 B12R0.248 CCOCCSCCOC(=O)NC 62a_200011997002_100011215890 [1,0,0,0,0,0|3,0,0]=4 1999 B12R0.248 CCSCCCCCCC(=O)OC 62a_100000210202_100009815986 [1,0,0,0,0,0|3,0,0]=4 2000 B12R0.248 CCSCCCCCCC(=O)OC 62a_100009815986_100000210202 [1,0,0,0,0,0|3,0,0]=4 2001 B12R0.248 CCSCCNCCNC(=O)CC 34a_100132302217_100000757381 [1,0,0,0,0,0|3,0,0]=4 2002 B12R0.248 CCSCCOCCNC(=O)CC 34a_200000158885_100000757381 [1,0,0,0,0,0|3,0,0]=4 2003 B12R0.248 CCSCCOCCNC(=O)CC 7a_200000158885_100000757381 [1,0,0,0,0,0|3,0,0]=4 2004 B12R0.248 CCSCCOCCOC(=O)CC 7a_200000031056_100000757381 [1,0,0,0,0,0|2,0,0]=3 2005 B12R0.248 CCSCCOCCOC(=O)NC 34a_100000212035_200011997002 [1,0,0,0,0,0|3,0,0]=4 2006 B12R0.248 CCSCCOCCOC(=O)NC 7a_100000212035_200011997002 [1,0,0,0,0,0|3,0,0]=4 2007 B12R0.248 CCSCCOCCOC(=O)OC 34a_100010262106_100000757381 [1,0,0,0,0,0|3,0,0]=4 2008 B12R0.248 CCSCCSCCOC(=O)NC 62a_100000757381_200011997002 [1,0,0,0,0,0|3,0,0]=4 2009 B12R0.248 CCSCCSCCOC(=O)NC 62a_200011997002_100000757381 [1,0,0,0,0,0|3,0,0]=4 2010 B12R0.248 CNC(=O)CCCCCCCCO 240690a_100102657272_100000015970 [1,0,0,0,0,0|3,0,0]=4 2011 B12R0.248 CNC(=O)NCCCCCCCO 2708a_100011996573_106832991635 [1,0,0,0,0,0|3,0,0]=4 2012 B12R0.248 CNC(=O)NCCCCCCCO 2708a_100102657272_100011996573 [1,0,0,0,0,0|3,0,0]=4 2013 B12R0.248 CNC(=O)NCCCCCCCO 273464a_100011996573_100102657272 [1,0,0,0,0,0|3,0,0]=4 2014 B12R0.248 CNC(=O)NCCCCCCCO 273464a_100102657272_100011996573 [1,0,0,0,0,0|3,0,0]=4 2015 B12R0.248 CNC(=O)NCCCCCCCO 512a_100011996573_100102657272 [1,0,0,0,0,0|3,0,0]=4 2016 B12R0.248 CNC(=O)NCCCCCCCO 512a_106832991638_100011996573 [1,0,0,0,0,0|3,0,0]=4 2017 B12R0.248 CNC(=O)OCCNCCCCO 34a_100000750430_200011997002 [1,0,0,0,0,0|3,0,0]=4 2018 B12R0.248 CNC(=O)OCCNCCCOC 34a_100150723488_200011997002 [1,0,0,0,0,0|3,0,0]=4 2019 B12R0.248 CNC(=O)OCCOCCCCBr 34a_100011216708_200011997002 [1,0,0,0,0,0|3,0,0]=4 2020 B12R0.248 CNC(=O)OCCOCCCCCl 34a_100000210776_200011997002 [1,0,0,0,0,0|3,0,0]=4 2021 B12R0.248 CNC(=O)OCCOCCCCCl 7a_100000210776_200011997002 [1,0,0,0,0,0|3,0,0]=4 2022 B12R0.248 CNC(=O)OCCOCCCCF 34a_100011995726_200011997002 [1,0,0,0,0,0|3,0,0]=4 2023 B12R0.248 CNC(=O)OCCOCCCCF 7a_100011995726_200011997002 [1,0,0,0,0,0|3,0,0]=4 2024 B12R0.248 CNC(=O)OCCOCCCCI 34a_200012148704_200011997002 [1,0,0,0,0,0|3,0,0]=4 2025 B12R0.248 CNC(=O)OCCOCCCCN 34a_100000750430_200011997002 [1,0,0,0,0,0|3,0,0]=4 2026 B12R0.248 CNC(=O)OCCOCCCOC 34a_100000740835_200011997002 [1,0,0,0,0,0|3,0,0]=4 2027 B12R0.248 CNC(=O)OCCOCCCSC 34a_100000690336_200011997002 [1,0,0,0,0,0|3,0,0]=4 2028 B12R0.248 CNC(=O)OCCOCCCSC 7a_100000690336_200011997002 [1,0,0,0,0,0|3,0,0]=4 2029 B12R0.248 CNC(=O)OCCSCCCCF 62a_100000729493_200011997002 [1,0,0,0,0,0|3,0,0]=4 2030 B12R0.248 CNC(=O)OCCSCCCCF 62a_200011997002_100000729493 [1,0,0,0,0,0|3,0,0]=4 2031 B12R0.248 CNC(=O)OCCSCCCCO 62a_100000210776_200011997002 [1,0,0,0,0,0|3,0,0]=4 2032 B12R0.248 CNC(=O)OCCSCCCCO 62a_200011997002_100000210776 [1,0,0,0,0,0|3,0,0]=4 2033 B12R0.248 CNC(=O)OCCSCCCOC 62a_100000709357_200011997002 [1,0,0,0,0,0|3,0,0]=4 2034 B12R0.248 CNC(=O)OCCSCCCOC 62a_200011997002_100000709357 [1,0,0,0,0,0|3,0,0]=4 2035 B12R0.248 CNCCCCCCCC(=O)OC 2230a_106832991635_100010004213 [1,0,0,0,0,0|3,0,0]=4 2036 B12R0.248 CNCCCCCCCC(=O)OC 34a_100102657272_100010004213 [1,0,0,0,0,0|3,0,0]=4 2037 B12R0.248 CNCCCCCCCC(=O)OC 7a_106832991635_100010004213 [1,0,0,0,0,0|3,0,0]=4 2038 B12R0.248 CNCCCOCCOC(=O)NC 34a_100000213112_200011997002 [1,0,0,0,0,0|3,0,0]=4 2039 B12R0.248 COC(=O)CCCCCCCO[13CH3] 34a_100011022521_200025704644 [1,0,0,0,0,0|3,0,0]=4 2040 B12R0.248 COC(=O)CCCCCCCO[13CH3] 7a_100011022521_200025704644 [1,0,0,0,0,0|3,0,0]=4 2041 B12R0.248 COC(=O)CCCCCCCSC 62a_100010004213_200000210301 [1,0,0,0,0,0|3,0,0]=4 2042 B12R0.248 COC(=O)CCCCCCCSC 62a_200000210301_100010004213 [1,0,0,0,0,0|3,0,0]=4 2043 B12R0.248 COC(=O)CCCCCCCS[13CH3] 62a_100010004213_200025704644 [1,0,0,0,0,0|3,0,0]=4 2044 B12R0.248 COC(=O)CCCCCCCS[13CH3] 62a_200025704644_100010004213 [1,0,0,0,0,0|3,0,0]=4 2045 B12R0.248 COC(=O)OCCOCCCCF 34a_100010262106_100000729493 [1,0,0,0,0,0|3,0,0]=4 2046 B12R0.248 COC(=O)OCCOCCCCO 34a_100010262106_100011216708 [1,0,0,0,0,0|3,0,0]=4 2047 B12R0.248 COC(=O)OCSCCCCCF 62a_100000729378_100000139417 [1,0,0,0,0,0|3,0,0]=4 2048 B12R0.248 COC(=O)OCSCCCCCO 62a_100000746330_100000139417 [1,0,0,0,0,0|3,0,0]=4 2049 B12R0.248 COCCCCCCCC(=O)OC 34a_100011022521_200000210301 [1,0,0,0,0,0|3,0,0]=4 2050 B12R0.248 COCCCCCCCC(=O)OC 34a_100138415774_100010004213 [1,0,0,0,0,0|3,0,0]=4 2051 B12R0.248 COCCCCCCCC(=O)OC 7a_100011022521_200000210301 [1,0,0,0,0,0|3,0,0]=4 2052 B12R0.248 COCCCCSCOC(=O)OC 62a_100000730899_100000139417 [1,0,0,0,0,0|3,0,0]=4 2053 B12R0.248 COCCCOCCOC(=O)OC 34a_100010262106_100000740836 [1,0,0,0,0,0|3,0,0]=4 2054 B12R0.248 O=C(CO)CCCCCCCCO 1458a_100000210174_100000033203 [1,0,0,0,0,0|3,0,0]=4 2055 B12R0.248 O=C(CO)NCCCCCCCO 240690a_100011996573_100000210174 [1,0,0,0,0,0|3,0,0]=4 2056 B14R0.1 CCCC(=O)CCCCCC(=O)OCC 1458a_100000037472_100000210303 [0,1,0,0,0,0|2,0,1]=4 2057 B14R0.1 CCCC(=O)CCCCCC(=O)OCC 1458a_100000211992_100000755133 [0,1,0,0,0,0|2,0,1]=4 2058 B14R0.1 CCCC(=O)COCCCC(C)CCC 7a_100011713154_100000747444 [0,1,0,0,0,0|2,0,0]=3 2059 B14R0.1 CCCC(=O)NCCCCC(=O)OCC 188690a_100000718961_100000211992 [0,1,0,0,0,0|2,0,1]=4 2060 B14R0.1 CCCC(=O)OCNCCC(=O)NCC 34a_100025743525_100000034017 [0,1,0,0,0,0|2,0,1]=4 2061 B14R0.1 CCCC(=O)OCOCCC(C)CCC 34a_100011217855_100000034017 [0,1,0,0,0,0|1,0,0]=2 2062 B14R0.1 CCCC(=O)OCOCC[C@@H](N)CCC 34a_100015193777_100000034017 [0,1,0,0,0,0|1,0,0]=2 2063 B14R0.1 CCCC(=O)OCSCCC(=O)NCC 62a_100000737597_100000034017 [0,1,0,0,0,0|2,0,1]=4 2064 B14R0.1 CCCC(=O)OCSCCC(=O)OCC 62a_100000765890_100000034017 [0,1,0,0,0,0|2,0,1]=4 2065 B14R0.1 CCCC(C)CCCOCC(=O)NCC 34a_100011713154_100000183381 [0,1,0,0,0,0|3,0,0]=4 2066 B14R0.1 CCCC(C)CCCOCC(=O)NCC 7a_100011713154_100000183381 [0,1,0,0,0,0|3,0,0]=4 2067 B14R0.1 CCCC(C)CCCOCC(=O)OCC 34a_100011713154_100000188475 [0,1,0,0,0,0|3,0,0]=4 2068 B14R0.1 CCCC(C)CCCOCC(=O)OCC 7a_100011713154_100000188475 [0,1,0,0,0,0|3,0,0]=4 2069 B14R0.1 CCCC(C)CCOCCC(=O)NCC 7a_100011217855_100000737597 [0,1,0,0,0,0|3,0,0]=4 2070 B14R0.1 CCCC(C)CCOCCC(=O)OCC 34a_100011217855_100000765890 [0,1,0,0,0,0|3,0,0]=4 2071 B14R0.1 CCCC(C)CCOCCC(=O)OCC 7a_100011217855_100011206558 [0,1,0,0,0,0|3,0,0]=4 2072 B14R0.1 CCCC(C)COCCCC(=O)OCC 34a_100000688023_100009991533 [0,1,0,0,0,0|3,0,0]=4 2073 B14R0.1 CCCC(C)COCCCC(=O)OCC 7a_100000688023_100011215271 [0,1,0,0,0,0|3,0,0]=4 2074 B14R0.1 CCCC(C)COCCCC(=O)OCC 7a_100012001163_100011216630 [0,1,0,0,0,0|3,0,0]=4 2075 B14R0.1 CCCC(C)COCCNC(=O)OCC 34a_100000158857_100011216630 [0,1,0,0,0,0|3,0,0]=4 2076 B14R0.1 CCCC(C)COCCNC(=O)OCC 7a_100000688023_200011445536 [0,1,0,0,0,0|3,0,0]=4 2077 B14R0.1 CCCC(C)CSCCCC(=O)OCC 62a_100009991533_100011216630 [0,1,0,0,0,0|3,0,0]=4 2078 B14R0.1 CCCC(C)CSCCCC(=O)OCC 62a_100011216630_100009991533 [0,1,0,0,0,0|3,0,0]=4 2079 B14R0.1 CCCC(C)CSCCNC(=O)OCC 62a_100011216630_200011445536 [0,1,0,0,0,0|3,0,0]=4 2080 B14R0.1 CCCC(C)NCCCCC(=O)OCC 2230a_100000741246_100000750268 [0,1,0,0,0,0|3,0,0]=4 2081 B14R0.1 CCCC(C)OCCCCC(=O)OCC 34a_100000764384_100000750268 [0,1,0,0,0,0|3,0,0]=4 2082 B14R0.1 CCCC(C)OCCCCC(=O)OCC 7a_100000764384_100000750268 [0,1,0,0,0,0|3,0,0]=4 2083 B14R0.1 CCCC(C)SCCCCC(=O)OCC 62a_100000750268_100000766640 [0,1,0,0,0,0|3,0,0]=4 2084 B14R0.1 CCCC(C)SCCCCC(=O)OCC 62a_100000766640_100000750268 [0,1,0,0,0,0|3,0,0]=4 2085 B14R0.1 CCCN(C)CCCCCC(=O)OCC 2230a_100000747261_100000755133 [0,1,0,0,0,0|3,0,0]=4 2086 B14R0.1 CCCN(C)CCCCCC(=O)OCC 269982a_100000747261_100000755133 [0,1,0,0,0,0|3,0,0]=4 2087 B14R0.1 CCC[C@H](N)CCOCCC(=O)OCC 34a_100015193777_100000765890 [0,1,0,0,0,0|3,0,0]=4 2088 B14R0.1 CCC[C@H](N)COCCCC(=O)OCC 34a_100000732646_100009991533 [0,1,0,0,0,0|3,0,0]=4 2089 B14R0.32 CCC(C)CCCCCOC(C)CCO 7a_200000035636_100009893172 [0,1,0,0,0,0|2,0,1]=4 2090 B14R0.32 CCC(C)CCCCCOC(C)COC 7a_200000035636_100000765312 [0,1,0,0,0,0|2,0,1]=4 2091 B14R0.32 CCCC(=O)CCCCCCC(=O)OC 1458a_100000036694_100000210303 [0,1,0,0,0,0|2,0,1]=4 2092 B14R0.32 CCCC(=O)CCCCCCC(=O)OC 1458a_100000211992_100009815986 [0,1,0,0,0,0|2,0,1]=4 2093 B14R0.32 CCCC(=O)NCCCCCC(=O)OC 188690a_100000184999_100000211992 [0,1,0,0,0,0|2,0,1]=4 2094 B14R0.32 CCCC(=O)OCNCCCC(=O)NC 2230a_100000740002_100000034017 [0,1,0,0,0,0|2,0,1]=4 2095 B14R0.32 CCCC(=O)OCNCCCC(=O)NC 34a_100000740002_100000034017 [0,1,0,0,0,0|2,0,1]=4 2096 B14R0.32 CCCC(=O)OCNCCNC(=O)CC 34a_100132302217_100000034017 [0,1,0,0,0,0|2,0,1]=4 2097 B14R0.32 CCCC(=O)OCOCCC[C@@H](C)CN 34a_100160569302_100000034017 [0,1,0,0,0,0|2,0,0]=3 2098 B14R0.32 CCCC(=O)OCOCCNC(=O)CC 34a_200000158885_100000034017 [0,1,0,0,0,0|2,0,1]=4 2099 B14R0.32 CCCC(=O)OCSCCCC(=O)NC 62a_100000741757_100000034017 [0,1,0,0,0,0|2,0,1]=4 2100 B14R0.32 CCCC(=O)OCSCCCC(=O)OC 62a_100011218270_100000034017 [0,1,0,0,0,0|2,0,1]=4 2101 B14R0.32 CCCC(C)OCCCCCC(C)CC 7a_200000035636_100000766640 [0,1,0,0,0,0|1,0,1]=3 2102 B14R0.32 CCNC(=O)CCOCCCC(C)CC 7a_100011216074_100000737597 [0,1,0,0,0,0|3,0,0]=4 2103 B14R0.32 CCOC(=O)CCCCCCC(=O)CC 1458a_100000031895_100000210202 [0,1,0,0,0,0|2,0,1]=4 2104 B14R0.32 CCOC(=O)CCCCCCC(=O)CC 1458a_100000210414_100009814379 [0,1,0,0,0,0|2,0,1]=4 2105 B14R0.32 CCOC(=O)CCCCCCN(C)CC 2230a_100000225621_100009814379 [0,1,0,0,0,0|3,0,0]=4 2106 B14R0.32 CCOC(=O)CCCCCCN(C)CC 269982a_100000225621_100009814379 [0,1,0,0,0,0|3,0,0]=4 2107 B14R0.32 CCOC(=O)CCCCCNC(C)CC 2230a_100000209981_100000755133 [0,1,0,0,0,0|3,0,0]=4 2108 B14R0.32 CCOC(=O)CCCCCOC(C)CC 7a_100000210228_100000755133 [0,1,0,0,0,0|3,0,0]=4 2109 B14R0.32 CCOC(=O)CCCCCOC(C)CC 7a_100011214988_100000758301 [0,1,0,0,0,0|3,0,0]=4 2110 B14R0.32 CCOC(=O)CCCCCSC(C)CC 62a_100000755133_100000758301 [0,1,0,0,0,0|3,0,0]=4 2111 B14R0.32 CCOC(=O)CCCCCSC(C)CC 62a_100000758301_100000755133 [0,1,0,0,0,0|3,0,0]=4 2112 B14R0.32 CCOC(=O)CCCCNCC(C)CC 2230a_100020588543_100000750268 [0,1,0,0,0,0|3,0,0]=4 2113 B14R0.32 CCOC(=O)CCCCNCC(O)CC 2230a_100011218483_100000750268 [0,1,0,0,0,0|3,0,0]=4 2114 B14R0.32 CCOC(=O)CCCCOC[C@@H](C)CC 7a_100009816381_100000750268 [0,1,0,0,0,0|3,0,0]=4 2115 B14R0.32 CCOC(=O)CCCCSCC(C)CC 62a_100000748023_100000750268 [0,1,0,0,0,0|3,0,0]=4 2116 B14R0.32 CCOC(=O)CCCCSCC(C)CC 62a_100000750268_100000748023 [0,1,0,0,0,0|3,0,0]=4 2117 B14R0.32 CCOC(=O)CCCCSCC(O)CC 62a_100000750268_100011218378 [0,1,0,0,0,0|3,0,0]=4 2118 B14R0.32 CCOC(=O)CCCCSCC(O)CC 62a_100011218378_100000750268 [0,1,0,0,0,0|3,0,0]=4 2119 B14R0.32 CCOC(=O)CCCCSC[C@@H](C)CC 62a_100000750268_100009816398 [0,1,0,0,0,0|3,0,0]=4 2120 B14R0.32 CCOC(=O)CCCCSC[C@@H](C)CC 62a_100009816398_100000750268 [0,1,0,0,0,0|3,0,0]=4 2121 B14R0.32 CCOC(=O)CCCNCCC(C)CC 2230a_100020591266_100009991533 [0,1,0,0,0,0|3,0,0]=4 2122 B14R0.32 CCOC(=O)CCCOCCC(C)CC 7a_100011215188_100011215271 [0,1,0,0,0,0|3,0,0]=4 2123 B14R0.32 CCOC(=O)CCOCCCC(C)CC 7a_100011216074_100011206558 [0,1,0,0,0,0|3,0,0]=4 2124 B14R0.32 CCOC(=O)NCCOCCC(C)CC 7a_100011215188_200011445536 [0,1,0,0,0,0|3,0,0]=4 2125 B14R0.73 C#CCC(=O)CC(O)CCCCCCC 1458a_200011667753_100000184674 [0,1,0,0,0,0|1,0,2]=4 2126 B14R0.73 C=C(CCC)CC(=O)CCCCCCC 1458a_100000138376_100000210614 [0,1,0,0,0,0|2,0,1]=4 2127 B14R0.73 C=CCC(=O)CC(O)CCCCCCC 1458a_200011667753_100000210623 [0,1,0,0,0,0|1,0,2]=4 2128 B14R0.73 CCCC(=O)CC(=O)CCCCCCO 1458a_100011996774_100000747444 [0,1,0,0,0,0|2,0,1]=4 2129 B14R0.73 CCCC(=O)CC(=O)CCCCCOC 1458a_100011935119_100000747444 [0,1,0,0,0,0|2,0,1]=4 2130 B14R0.73 CCCCCCCC(=O)C=C(C)CCC 1458a_100020676950_100000210614 [0,1,0,0,0,0|2,0,1]=4 2131 B14R0.73 CCCCCCCC(=O)CC(=O)CCC 1458a_100000211969_100000747444 [0,1,0,0,0,0|1,0,1]=3 2132 B14R0.73 CCCCCCCC(=O)CC(=O)NCC 1458a_100000211969_100000183381 [0,1,0,0,0,0|2,0,1]=4 2133 B14R0.73 CCCCCCCC(=O)CC(=O)OCC 1458a_100000211969_100000188475 [0,1,0,0,0,0|2,0,1]=4 2134 B14R0.73 CCCCCCCC(=O)CC(=O)OCC 1458a_100000243816_100000210614 [0,1,0,0,0,0|2,0,1]=4 2135 B14R0.73 CCCCCCCC(=O)CS(=O)CCC 1458a_100011387404_100000210614 [0,1,0,0,0,0|2,0,1]=4 2136 B14R0.73 CCCCCCCC(C)NC(C)CCC 2230a_100000741246_200011218727 [0,1,0,0,0,0|2,0,1]=4 2137 B14R0.73 CCCCCCCC(C)NC(C)CCC 270004a_100000741246_100000210596 [0,1,0,0,0,0|2,0,1]=4 2138 B14R0.73 CCCCCCCC(C)OC(C)CCBr 34a_100012276601_200011218727 [0,1,0,0,0,0|2,0,1]=4 2139 B14R0.73 CCCCCCCC(C)OC(C)CCC 34a_100000764384_200011218727 [0,1,0,0,0,0|1,0,1]=3 2140 B14R0.73 CCCCCCCC(C)OC(C)CCC 34a_200011215852_100000766640 [0,1,0,0,0,0|1,0,1]=3 2141 B14R0.73 CCCCCCCC(C)OC(C)CCC 7a_100000764384_200011218727 [0,1,0,0,0,0|1,0,1]=3 2142 B14R0.73 CCCCCCCC(C)OC(C)CCC 7a_200011215852_100000766640 [0,1,0,0,0,0|1,0,1]=3 2143 B14R0.73 CCCCCCCC(C)OC(C)CCO 34a_200011215852_100009893172 [0,1,0,0,0,0|2,0,1]=4 2144 B14R0.73 CCCCCCCC(C)OC(C)CCO 7a_200011215852_100009893172 [0,1,0,0,0,0|2,0,1]=4 2145 B14R0.73 CCCCCCCC(C)OC(C)COC 34a_200011215852_100000765312 [0,1,0,0,0,0|2,0,1]=4 2146 B14R0.73 CCCCCCCC(C)OC(C)COC 7a_200011215852_100000765312 [0,1,0,0,0,0|2,0,1]=4 2147 B14R0.73 CCCCCCCC(C)O[C@H](C)COC 34a_100011934205_200011218727 [0,1,0,0,0,0|2,0,1]=4 2148 B14R0.73 CCCCCCCC(C)SC(C)CCC 62a_100000766640_200011218727 [0,1,0,0,0,0|1,1,1]=4 2149 B14R0.73 CCCCCCCC(C)SC(C)CCC 62a_200011218727_100000766640 [0,1,0,0,0,0|1,1,1]=4 2150 B14R0.73 CCCCCCCC(O)CC(=O)CC#N 1458a_200011667753_100011214920 [0,1,0,0,0,0|2,0,1]=4 2151 B14R0.73 CCCCCCCC(O)CC(=O)CCC 1458a_200011667753_100000210303 [0,1,0,0,0,0|1,0,0]=2 2152 B14R0.73 CCCCCCCC(O)CC(=O)CCF 1458a_200011667753_100011217306 [0,1,0,0,0,0|2,0,0]=3 2153 B14R0.73 CCCCCCCC(O)CC(=O)CCO 1458a_200011667753_100000211926 [0,1,0,0,0,0|2,0,0]=3 2154 B14R0.73 CCCCCCCC(O)CC(=O)NCC 240690a_100015525214_200011667753 [0,1,0,0,0,0|2,0,0]=3 2155 B14R0.73 CCCCCCCC(O)CC(=O)NNC 22a_100016993582_200011667753 [0,1,0,0,0,0|3,0,0]=4 2156 B14R0.73 CCCCCCCN(C)CC(=O)CCC 2230a_100000228206_100000747444 [0,1,0,0,0,0|2,0,0]=3 2157 B14R0.73 CCCCCCCN(C)CC(=O)CCC 269982a_100000228206_100000747444 [0,1,0,0,0,0|2,0,0]=3 2158 B14R0.73 CCCCCCCN(C)CC(=O)NCC 2230a_100000228206_100000183381 [0,1,0,0,0,0|3,0,0]=4 2159 B14R0.73 CCCCCCCN(C)CC(=O)NCC 2230a_100000741943_100000210681 [0,1,0,0,0,0|3,0,0]=4 2160 B14R0.73 CCCCCCCN(C)CC(=O)NCC 269982a_100000228206_100000183381 [0,1,0,0,0,0|3,0,0]=4 2161 B14R0.73 CCCCCCCN(C)CC(=O)NCC 269982a_100000741943_100000210681 [0,1,0,0,0,0|3,0,0]=4 2162 B14R0.73 CCCCCCCN(C)CC(=O)OCC 2230a_100000220588_100000210681 [0,1,0,0,0,0|3,0,0]=4 2163 B14R0.73 CCCCCCCN(C)CC(=O)OCC 2230a_100000228206_100000188475 [0,1,0,0,0,0|3,0,0]=4 2164 B14R0.73 CCCCCCCN(C)CC(=O)OCC 269982a_100000228206_100000188475 [0,1,0,0,0,0|3,0,0]=4 2165 B14R0.73 CCCCCCNC(=O)CC(=O)CCC 1458a_100000211992_100000230325 [0,1,0,0,0,0|2,0,1]=4 2166 B14R0.73 CCCCCCNC(C)CC(=O)OCC 2230a_100000210581_100009817359 [0,1,0,0,0,0|3,0,0]=4 2167 B14R0.73 CCCCCCOC(C)CC(=O)OCC 7a_100000210259_100009817359 [0,1,0,0,0,0|3,0,0]=4 2168 B14R0.73 CCCCCCO[C@H](C)CC(=O)OCC 7a_100009816390_100000210314 [0,1,0,0,0,0|3,0,0]=4 2169 B14R0.73 CCCCCCSC(C)CC(=O)OCC 62a_100000210314_100009817359 [0,1,0,0,0,0|3,0,0]=4 2170 B14R0.73 CCCCCCSC(C)CC(=O)OCC 62a_100009817359_100000210757 [0,1,0,0,0,0|3,0,0]=4 2171 B14R0.73 CCCCCCSC(C)OC(=O)OCC 62a_100000036008_100000210757 [0,1,0,0,0,0|2,0,0]=3 2172 B14R0.73 CCCCCCSC(C)OC(=O)OCC 62a_100000210314_100000036008 [0,1,0,0,0,0|2,0,0]=3 2173 B14R0.73 CCCCCOC[C@@H](O)CC(=O)OCC 34a_100000210253_100000688340 [0,1,0,0,0,0|3,0,0]=4 2174 B14R0.73 CCCCCOC[C@@H](O)CC(=O)OCC 7a_100000210253_100000688340 [0,1,0,0,0,0|3,0,0]=4 2175 B14R0.73 CCCCCSC[C@@H](O)CC(=O)OCC 62a_100000210326_100000688340 [0,1,0,0,0,0|3,0,0]=4 2176 B14R0.73 CCCCCSC[C@@H](O)CC(=O)OCC 62a_100000688340_100000210326 [0,1,0,0,0,0|3,0,0]=4 2177 B14R0.73 CCCCOCSC(C)OC(=O)OCC 62a_100000036008_100011995733 [0,1,0,0,0,0|3,0,0]=4 2178 B14R0.73 CCCCOCSC(C)OC(=O)OCC 62a_100011995733_100000036008 [0,1,0,0,0,0|3,0,0]=4 2179 B14R0.73 CCCOCCSC(C)OC(=O)OCC 62a_100000036008_100011215938 [0,1,0,0,0,0|3,0,0]=4 2180 B14R0.73 CCCOCCSC(C)OC(=O)OCC 62a_100011215938_100000036008 [0,1,0,0,0,0|3,0,0]=4 2181 B14R0.73 CCOC(=O)OC(C)SCCCCCF 62a_100000036008_100000729378 [0,1,0,0,0,0|3,0,0]=4 2182 B14R0.73 CCOC(=O)OC(C)SCCCCCF 62a_100000729378_100000036008 [0,1,0,0,0,0|3,0,0]=4 2183 B14R0.73 CCOC(=O)OC(C)SCCCCCO 62a_100000036008_100000746330 [0,1,0,0,0,0|3,0,0]=4 2184 B14R0.73 CCOC(=O)OC(C)SCCCCCO 62a_100000746330_100000036008 [0,1,0,0,0,0|3,0,0]=4 2185 B14R0.73 CCOC(=O)OC(C)SCCCCOC 62a_100000036008_100000730899 [0,1,0,0,0,0|3,0,0]=4 2186 B14R0.73 CCOC(=O)OC(C)SCCCCOC 62a_100000730899_100000036008 [0,1,0,0,0,0|3,0,0]=4 2187 B14R0.73 CCOCCCSC(C)OC(=O)OCC 62a_100000036008_100012232248 [0,1,0,0,0,0|3,0,0]=4 2188 B14R0.73 CCOCCCSC(C)OC(=O)OCC 62a_100012232248_100000036008 [0,1,0,0,0,0|3,0,0]=4 2189 B14R0.83 C#CCC(=O)C(O)CCCCCCCC 1458a_200011995895_100000184674 [0,1,0,0,0,0|1,0,2]=4 2190 B14R0.83 C#CCC(=O)N(C)CCCCCCCC 1626a_100000207567_100011220946 [0,1,0,0,0,0|1,0,2]=4 2191 B14R0.83 C#CCC(=O)N(C)CCCCCCCC 527a_100000207567_100011220946 [0,1,0,0,0,0|1,0,2]=4 2192 B14R0.83 C=C(COCCCCCC)C(=O)OCC 34a_100000210259_100000755967 [0,1,0,0,0,0|3,0,0]=4 2193 B14R0.83 C=C(COCCCCCC)C(=O)OCC 7a_100000210259_100000755967 [0,1,0,0,0,0|3,0,0]=4 2194 B14R0.83 C=C(CSCCCCCC)C(=O)OCC 62a_100000210314_100000755967 [0,1,0,0,0,0|3,0,0]=4 2195 B14R0.83 C=C(CSCCCCCC)C(=O)OCC 62a_100000755967_100000210757 [0,1,0,0,0,0|3,0,0]=4 2196 B14R0.83 C=CCC(=O)C(O)CCCCCCCC 1458a_200011995895_100000210623 [0,1,0,0,0,0|1,0,2]=4 2197 B14R0.83 C=CCC(=O)N(C)CCCCCCCC 11a_100000207567_100000210193 [0,1,0,0,0,0|1,0,2]=4 2198 B14R0.83 C=CCC(=O)N(C)CCCCCCCC 1626a_100000207567_100000210193 [0,1,0,0,0,0|1,0,2]=4 2199 B14R0.83 C=CCC(=O)N(C)CCCCCCCC 240690a_100000207567_100000210193 [0,1,0,0,0,0|1,0,2]=4 2200 B14R0.83 C=CCC(=O)N(C)CCCCCCCC 527a_100000207567_100000210193 [0,1,0,0,0,0|1,0,2]=4 2201 B14R0.83 CC/C=C(\C)/C(=O)CCCCCCCC 1458a_100016988807_100000210759 [0,1,0,0,0,0|2,0,1]=4 2202 B14R0.83 CC=CC(=O)N(C)CCCCCCCC 11a_100000207567_100000210699 [0,1,0,0,0,0|1,0,2]=4 2203 B14R0.83 CC=CC(=O)N(C)CCCCCCCC 1626a_100000207567_100000210699 [0,1,0,0,0,0|1,0,2]=4 2204 B14R0.83 CC=CC(=O)N(C)CCCCCCCC 240690a_100000207567_100000210699 [0,1,0,0,0,0|1,0,2]=4 2205 B14R0.83 CCCCCCCCC(=O)C(=O)NCC 1458a_200011297158_100000210759 [0,1,0,0,0,0|2,0,0]=3 2206 B14R0.83 CCCCCCCCC(=O)C(C)CCC 1458a_100000210188_100000766640 [0,1,0,0,0,0|2,0,1]=4 2207 B14R0.83 CCCCCCCCC(=O)C(C)CCC 1458a_100000210906_100000210759 [0,1,0,0,0,0|2,0,1]=4 2208 B14R0.83 CCCCCCCCC(=O)N(C)CCC 11a_100000747261_100000210188 [0,1,0,0,0,0|3,0,0]=4 2209 B14R0.83 CCCCCCCCC(=O)N(C)CCC 1626a_100000747261_100000210188 [0,1,0,0,0,0|3,0,0]=4 2210 B14R0.83 CCCCCCCCC(=O)N(C)CCC 240690a_100000747261_100000210188 [0,1,0,0,0,0|3,0,0]=4 2211 B14R0.83 CCCCCCCCC(=O)N(C)CCC 527a_100000747261_100000210188 [0,1,0,0,0,0|3,0,0]=4 2212 B14R0.83 CCCCCCCCC(=O)[C@@H](O)CCC 1458a_100009822183_100000210759 [0,1,0,0,0,0|1,0,2]=4 2213 B14R0.83 CCCCCCCCC(C)N(C)CCC 270004a_100000747261_100011216694 [0,1,0,0,0,0|3,0,0]=4 2214 B14R0.83 CCCCCCCCC(O)C(=O)CC#N 1458a_200011995895_100011214920 [0,1,0,0,0,0|2,0,1]=4 2215 B14R0.83 CCCCCCCCC(O)C(=O)CCC 1458a_200011995895_100000210303 [0,1,0,0,0,0|1,0,0]=2 2216 B14R0.83 CCCCCCCCC(O)C(=O)CCF 1458a_200011995895_100011217306 [0,1,0,0,0,0|2,0,0]=3 2217 B14R0.83 CCCCCCCCC(O)C(=O)CCO 1458a_200011995895_100000211926 [0,1,0,0,0,0|2,0,0]=3 2218 B14R0.83 CCCCCCCCC(O)C(=O)NCC 240690a_100015525214_200011995895 [0,1,0,0,0,0|2,0,0]=3 2219 B14R0.83 CCCCCCCCC(O)C(=O)NNC 22a_100016993582_200011995895 [0,1,0,0,0,0|3,0,0]=4 2220 B14R0.83 CCCCCCCCN(C)C(=O)CC#N 1626a_100000207567_100051588842 [0,1,0,0,0,0|2,0,1]=4 2221 B14R0.83 CCCCCCCCN(C)C(=O)CC#N 240690a_100000207567_100051588842 [0,1,0,0,0,0|2,0,1]=4 2222 B14R0.83 CCCCCCCCN(C)C(=O)CCC 11a_100000207567_100000211992 [0,1,0,0,0,0|1,0,0]=2 2223 B14R0.83 CCCCCCCCN(C)C(=O)CCC 1626a_100000207567_100000211992 [0,1,0,0,0,0|1,0,0]=2 2224 B14R0.83 CCCCCCCCN(C)C(=O)CCC 240690a_100000207567_100000211992 [0,1,0,0,0,0|1,0,0]=2 2225 B14R0.83 CCCCCCCCN(C)C(=O)CCC 527a_100000207567_100000211992 [0,1,0,0,0,0|1,0,0]=2 2226 B14R0.83 CCCCCCCCN(C)C(=O)CCO 240690a_100000207567_100011216618 [0,1,0,0,0,0|2,0,0]=3 2227 B14R0.83 CCCCCCCCN(C)C(=O)COC 11a_100000207567_100000210968 [0,1,0,0,0,0|2,0,0]=3 2228 B14R0.83 CCCCCCCCN(C)C(=O)COC 1626a_100000207567_100000210968 [0,1,0,0,0,0|2,0,0]=3 2229 B14R0.83 CCCCCCCCN(C)C(=O)COC 240690a_100000207567_100000210968 [0,1,0,0,0,0|2,0,0]=3 2230 B14R0.83 CCCCCCCCN(C)C(=O)COC 527a_100000207567_100000210968 [0,1,0,0,0,0|2,0,0]=3 2231 B14R0.83 CCCCCCCCN(C)C(=O)CSC 11a_100000207567_100000184570 [0,1,0,0,0,0|2,0,0]=3 2232 B14R0.83 CCCCCCCCN(C)C(=O)CSC 1626a_100000207567_100000184570 [0,1,0,0,0,0|2,0,0]=3 2233 B14R0.83 CCCCCCCCN(C)C(=O)CSC 240690a_100000207567_100000184570 [0,1,0,0,0,0|2,0,0]=3 2234 B14R0.83 CCCCCCCCN(C)C(=O)CSC 527a_100000207567_100000184570 [0,1,0,0,0,0|2,0,0]=3 2235 B14R0.83 CCCCCCCCN(C)C(=O)NCC 2708a_100015525214_100000207567 [0,1,0,0,0,0|2,0,0]=3 2236 B14R0.83 CCCCCCCCN(C)C(=O)NCC 273464a_100015525214_100000207567 [0,1,0,0,0,0|2,0,0]=3 2237 B14R0.83 CCCCCCCCN(C)C(C)CCC 2230a_100000207567_100000766640 [0,1,0,0,0,0|2,0,1]=4 2238 B14R0.83 CCCCCCCCN(C)C(C)CCC 269982a_100000207567_100000766640 [0,1,0,0,0,0|2,0,1]=4 2239 B14R0.83 CCCCCCCCN(C)C(C)CCC 270004a_100000207567_100000211909 [0,1,0,0,0,0|2,0,1]=4 2240 B14R0.83 CCCCCCCNC(=O)C(=O)NCC 1626a_100000229938_200011297158 [0,1,0,0,0,0|3,0,0]=4 2241 B14R0.83 CCCCCCCNC(=O)C(=O)NCC 240690a_100000229938_200011297158 [0,1,0,0,0,0|3,0,0]=4 2242 B14R0.83 CCCCCCCNC(=O)C(=O)NCC 527a_100000229938_200011297158 [0,1,0,0,0,0|3,0,0]=4 2243 B14R0.83 CCCCCCCNC(=O)C(=O)OCC 11a_100000229938_100014798877 [0,1,0,0,0,0|3,0,0]=4 2244 B14R0.83 CCCCCCCNC(=O)C(=O)OCC 1626a_100000229938_100014798877 [0,1,0,0,0,0|3,0,0]=4 2245 B14R0.83 CCCCCCCNC(=O)C(=O)OCC 240690a_100000229938_100014798877 [0,1,0,0,0,0|3,0,0]=4 2246 B14R0.83 CCCCCCCNC(C)C(=O)NCC 2230a_100000229938_100000230173 [0,1,0,0,0,0|3,0,0]=4 2247 B14R0.83 CCCCCCCNC(C)C(=O)NCC 2230a_100000736553_100000210681 [0,1,0,0,0,0|3,0,0]=4 2248 B14R0.83 CCCCCCCNC(C)C(=O)NCC 34a_100000736553_100000210614 [0,1,0,0,0,0|3,0,0]=4 2249 B14R0.83 CCCCCCCNC(C)C(=O)OCC 2230a_100000229938_100011215307 [0,1,0,0,0,0|3,0,0]=4 2250 B14R0.83 CCCCCCCNC(F)C(=O)OCC 2230a_100000229938_100000760018 [0,1,0,0,0,0|3,0,0]=4 2251 B14R0.83 CCCCCCCN[C@@H](C)C(=O)SCC 2230a_100103168634_100000210681 [0,1,0,0,0,0|3,0,0]=4 2252 B14R0.83 CCCCCCCOC(C)C(=O)NCC 34a_100000210272_100000230173 [0,1,0,0,0,0|3,0,0]=4 2253 B14R0.83 CCCCCCCOC(C)C(=O)NCC 7a_100000210272_100000230173 [0,1,0,0,0,0|3,0,0]=4 2254 B14R0.83 CCCCCCCOC(C)C(=O)OCC 34a_100000210272_100011216346 [0,1,0,0,0,0|3,0,0]=4 2255 B14R0.83 CCCCCCCOC(C)C(=O)OCC 7a_100000210272_100011216346 [0,1,0,0,0,0|3,0,0]=4 2256 B14R0.83 CCCCCCCOC(F)C(=O)OCC 34a_100000210272_100000760018 [0,1,0,0,0,0|3,0,0]=4 2257 B14R0.83 CCCCCCCOC(F)C(=O)OCC 7a_100000210272_100000040065 [0,1,0,0,0,0|3,0,0]=4 2258 B14R0.83 CCCCCCCO[C@@H](C)C(=O)OCC 7a_100000751109_100000210614 [0,1,0,0,0,0|3,0,0]=4 2259 B14R0.83 CCCCCCCSC(C)C(=O)NCC 62a_100000210614_100000230173 [0,1,0,0,0,0|3,0,0]=4 2260 B14R0.83 CCCCCCCSC(C)C(=O)NCC 62a_100000230173_100000210316 [0,1,0,0,0,0|3,0,0]=4 2261 B14R0.83 CCCCCCCSC(C)C(=O)OCC 62a_100000210614_100011216346 [0,1,0,0,0,0|3,0,0]=4 2262 B14R0.83 CCCCCCCSC(C)C(=O)OCC 62a_100011216346_100000210316 [0,1,0,0,0,0|3,0,0]=4 2263 B14R0.83 CCCCCCCSC(F)C(=O)OCC 62a_100000210614_100000760018 [0,1,0,0,0,0|3,0,0]=4 2264 B14R0.83 CCCCCCCSC(F)C(=O)OCC 62a_100000760018_100000210316 [0,1,0,0,0,0|3,0,0]=4 2265 B14R0.83 CCCCCCSCC(=O)C(=O)OCC 62a_100000210314_100000211299 [0,1,0,0,0,0|3,0,0]=4 2266 B14R0.83 CCCCCCSCC(=O)C(=O)OCC 62a_100000211299_100000210757 [0,1,0,0,0,0|3,0,0]=4 2267 B14R0.83 CCNC(=O)C(=O)CCCCCCCO 1458a_200011297158_100000760002 [0,1,0,0,0,0|3,0,0]=4 2268 B14R0.83 CCNC(=O)C(=O)CCCCCCOC 1458a_200011297158_100011998445 [0,1,0,0,0,0|3,0,0]=4 2269 B14R0.83 CCNCCCCCC(=O)C(=O)OCC 2230a_100015525214_100000068741 [0,1,0,0,0,0|3,0,0]=4 2270 B14R0.83 CCOC(=O)C(=O)CCCCCSCC 62a_100000210202_100000068741 [0,1,0,0,0,0|3,0,0]=4 2271 B14R0.90 C#CC(CCC)OCCCCCCCC 34a_200011217317_100000210759 [0,1,0,0,0,0|1,0,1]=3 2272 B14R0.90 C#CC(CCC)OCCCCCCCC 7a_200011217317_100000210759 [0,1,0,0,0,0|1,0,1]=3 2273 B14R0.90 C#CC(CCC)OCCCCCCCO 34a_200011217317_100000760002 [0,1,0,0,0,0|2,0,1]=4 2274 B14R0.90 C#CC(CCC)OCCCCCCCO 7a_200011217317_100000760002 [0,1,0,0,0,0|2,0,1]=4 2275 B14R0.90 C#CC(CCC)OCCCCCCOC 34a_200011217317_100011998445 [0,1,0,0,0,0|2,0,1]=4 2276 B14R0.90 C#CC(CCC)OCCCCCCOC 7a_200011217317_100011998445 [0,1,0,0,0,0|2,0,1]=4 2277 B14R0.90 C=CC(CCC)OCCCCCCCC 34a_100011216692_100000210759 [0,1,0,0,0,0|1,0,1]=3 2278 B14R0.90 C=CC(CCC)OCCCCCCCC 7a_100011216692_100000210759 [0,1,0,0,0,0|1,0,1]=3 2279 B14R0.90 C=CC(CCC)OCCCCCCCO 34a_100011216692_100000760002 [0,1,0,0,0,0|2,0,1]=4 2280 B14R0.90 C=CC(CCC)OCCCCCCCO 7a_100011216692_100000760002 [0,1,0,0,0,0|2,0,1]=4 2281 B14R0.90 C=CC(CCC)OCCCCCCOC 34a_100011216692_100011998445 [0,1,0,0,0,0|2,0,1]=4 2282 B14R0.90 C=CC(CCC)OCCCCCCOC 7a_100011216692_100011998445 [0,1,0,0,0,0|2,0,1]=4 2283 B14R0.90 CCCC(C#N)OCCCCCCCO 34a_100000686963_100000760002 [0,1,0,0,0,0|2,0,1]=4 2284 B14R0.90 CCCC(C#N)OCCCCCCCO 7a_100000686963_100000760002 [0,1,0,0,0,0|2,0,1]=4 2285 B14R0.90 CCCC(C#N)OCCCCCCOC 34a_100000686963_100011998445 [0,1,0,0,0,0|2,0,1]=4 2286 B14R0.90 CCCC(C#N)OCCCCCCOC 7a_100000686963_100011998445 [0,1,0,0,0,0|2,0,1]=4 2287 B14R0.90 CCCC(CC)OCCCCCCCBr 7a_100000760002_100011219200 [0,1,0,0,0,0|2,0,1]=4 2288 B14R0.90 CCCC(CC)OCCCCCCCO 34a_100000687864_100000760002 [0,1,0,0,0,0|2,0,1]=4 2289 B14R0.90 CCCC(CC)OCCCCCCCO 7a_100000687864_100000760002 [0,1,0,0,0,0|2,0,1]=4 2290 B14R0.90 CCCC(CC)OCCCCCCOC 34a_100000687864_100011998445 [0,1,0,0,0,0|2,0,1]=4 2291 B14R0.90 CCCC(CC)OCCCCCCOC 7a_100000687864_100011998445 [0,1,0,0,0,0|2,0,1]=4 2292 B14R0.90 CCCC(CC)OCCCCCCOC 7a_200012092642_100011219200 [0,1,0,0,0,0|2,0,1]=4 2293 B14R0.90 CCCCCCCCCN(CC)CCC 2230a_100000226822_100011214924 [0,1,0,0,0,0|3,0,0]=4 2294 B14R0.90 CCCCCCCCCN(CC)CCC 269982a_100000226822_100000210670 [0,1,0,0,0,0|3,0,0]=4 2295 B14R0.90 CCCCCCCCNC(CC)CCC 2230a_100000747048_100000210759 [0,1,0,0,0,0|2,0,1]=4 2296 B14R0.90 CCCCCCCCNC(CC)CCC 270004a_100000229939_100000687865 [0,1,0,0,0,0|2,0,1]=4 2297 B14R0.90 CCCCCCCCN[C@H](CO)CCC 2230a_100000732646_100000210759 [0,1,0,0,0,0|1,0,2]=4 2298 B14R0.90 CCCCCCCCN[C@H](CO)CCC 34a_100000732646_100000210759 [0,1,0,0,0,0|1,0,2]=4 2299 B14R0.90 CCCCCCCCOC(C#N)CCC 34a_100000686963_100000210759 [0,1,0,0,0,0|1,0,1]=3 2300 B14R0.90 CCCCCCCCOC(C#N)CCC 7a_100000686963_100000210759 [0,1,0,0,0,0|1,0,1]=3 2301 B14R0.90 CCCCCCCCOC(CC)CCC 34a_100000687864_100000210759 [0,1,0,0,0,0|1,0,1]=3 2302 B14R0.90 CCCCCCCCOC(CC)CCC 7a_100000210232_100011219200 [0,1,0,0,0,0|1,0,1]=3 2303 B14R0.90 CCCCCCCCOC(CC)CCC 7a_100000687864_100000210759 [0,1,0,0,0,0|1,0,1]=3 2304 B14R0.90 CCCCCCCCOC(CC)COC 7a_200011214946_100000210759 [0,1,0,0,0,0|2,0,1]=4 2305 B14R0.90 CCCCCCCCOC(CCl)COC 34a_100011215053_100000210759 [0,1,0,0,0,0|2,0,1]=4 2306 B14R0.90 CCCCCCCCOC(CN)COC 34a_100000756049_100000210759 [0,1,0,0,0,0|2,0,1]=4 2307 B14R0.90 CCCCCCCCSC(CC)CCC 62a_100000210759_100011219200 [0,1,0,0,0,0|1,1,1]=4 2308 B14R0.90 CCCCCCCCSC(CC)CCC 62a_100011219200_100000210317 [0,1,0,0,0,0|1,1,1]=4 2309 B14R0.90 CCCCCOCCOC(CC)CCC 7a_100011215259_100011219200 [0,1,0,0,0,0|2,0,1]=4 2310 B14R0.90 CCCCOCCCOC(CC)CCC 7a_200011215613_100011219200 [0,1,0,0,0,0|2,0,1]=4 2311 B14R0.163 CCCC(=O)OCNCC(O)COCC 2230a_102515437182_100000034017 [0,1,0,0,0,0|2,0,0]=3 2312 B14R0.163 CCCC(=O)OCNCC(O)COCC 34a_102515437182_100000034017 [0,1,0,0,0,0|2,0,0]=3 2313 B14R0.163 CCCC(=O)OCNC[C@H](C)CCCO 2230a_100160569302_100000034017 [0,1,0,0,0,0|2,0,0]=3 2314 B14R0.163 CCCC(=O)OCNC[C@H](C)CCCO 34a_100160569302_100000034017 [0,1,0,0,0,0|2,0,0]=3 2315 B14R0.163 CCCC(=O)OCOC[C@@H](C)OCOC 34a_100016172286_100000034017 [0,1,0,0,0,0|3,0,0]=4 2316 B14R0.163 CCCC(=O)OCOC[C@@H](N)CCSC 34a_100011827619_100000034017 [0,1,0,0,0,0|2,0,0]=3 2317 B14R0.163 CCCCC(=O)CCCCC(=O)OCC 1458a_100000210183_100000750268 [0,1,0,0,0,0|2,0,1]=4 2318 B14R0.163 CCCCC(=O)CCCCC(=O)OCC 1458a_100011217402_100000210211 [0,1,0,0,0,0|2,0,1]=4 2319 B14R0.163 CCCCC(C)COCCC(=O)NCC 7a_100011995851_100000737597 [0,1,0,0,0,0|3,0,0]=4 2320 B14R0.163 CCCCC(C)COCCC(=O)OCC 34a_100011995851_100000765890 [0,1,0,0,0,0|3,0,0]=4 2321 B14R0.163 CCCCC(C)COCCC(=O)OCC 7a_100011995851_100011206558 [0,1,0,0,0,0|3,0,0]=4 2322 B14R0.163 CCCCC(C)COCOC(=O)CCC 34a_100011995851_100000034017 [0,1,0,0,0,0|1,0,0]=2 2323 B14R0.163 CCCCC(C)NCCCC(=O)OCC 2230a_100000126638_100009991533 [0,1,0,0,0,0|3,0,0]=4 2324 B14R0.163 CCCCC(C)OCCCC(=O)OCC 34a_100000687866_100009991533 [0,1,0,0,0,0|3,0,0]=4 2325 B14R0.163 CCCCC(C)OCCCC(=O)OCC 7a_100000687866_100011215271 [0,1,0,0,0,0|3,0,0]=4 2326 B14R0.163 CCCCC(C)OCCCC(=O)OCC 7a_100012001163_200011215066 [0,1,0,0,0,0|3,0,0]=4 2327 B14R0.163 CCCCC(C)OCCNC(=O)OCC 34a_100000158857_200011215066 [0,1,0,0,0,0|3,0,0]=4 2328 B14R0.163 CCCCC(C)OCCNC(=O)OCC 7a_100000687866_200011445536 [0,1,0,0,0,0|3,0,0]=4 2329 B14R0.163 CCCCC(C)SCCCC(=O)OCC 62a_100009991533_200011215066 [0,1,0,0,0,0|3,0,0]=4 2330 B14R0.163 CCCCC(C)SCCCC(=O)OCC 62a_200011215066_100009991533 [0,1,0,0,0,0|3,0,0]=4 2331 B14R0.163 CCCCC(C)SCCNC(=O)OCC 62a_200011215066_200011445536 [0,1,0,0,0,0|3,0,0]=4 2332 B14R0.163 CCCCN(C)CCCCC(=O)OCC 2230a_100000207549_100000750268 [0,1,0,0,0,0|3,0,0]=4 2333 B14R0.163 CCCCN(C)CCCCC(=O)OCC 269982a_100000207549_100000750268 [0,1,0,0,0,0|3,0,0]=4 2334 B14R0.163 CCCC[C@H](N)COCCC(=O)OCC 34a_100011934283_100000765890 [0,1,0,0,0,0|3,0,0]=4 2335 B14R0.163 CCCC[C@H](N)COCOC(=O)CCC 34a_100011934283_100000034017 [0,1,0,0,0,0|1,0,0]=2 2336 B14R0.163 CCCNC(=O)CNCOC(=O)CCC 2230a_100000174927_100000034017 [0,1,0,0,0,0|2,0,1]=4 2337 B14R0.163 CCCNC(=O)CSCOC(=O)CCC 62a_100000183358_100000034017 [0,1,0,0,0,0|2,0,1]=4 2338 B14R0.163 CCCOC(=O)CSCOC(=O)CCC 62a_200011215008_100000034017 [0,1,0,0,0,0|2,0,1]=4 2339 B14R0.163 CCCOC(C)CNCOC(=O)CCC 2230a_100015185124_100000034017 [0,1,0,0,0,0|2,0,0]=3 2340 B14R0.163 CCCOC(C)CNCOC(=O)CCC 34a_100015185124_100000034017 [0,1,0,0,0,0|2,0,0]=3 2341 B14R0.181 C#CC(C)C(=O)CCCCCCCCC 1458a_100000210558_200000035995 [0,1,0,0,0,0|1,0,2]=4 2342 B14R0.181 C#CCCCCCCCC(=O)C(C)CC 1458a_100000087357_100000758301 [0,1,0,0,0,0|1,0,2]=4 2343 B14R0.181 C#CCCCCCCCC(=O)C(C)CC 1458a_100011192722_100153394163 [0,1,0,0,0,0|1,0,2]=4 2344 B14R0.181 C#CCCCCCCCC(=O)C(O)CC 1458a_100011196387_100153394163 [0,1,0,0,0,0|1,0,2]=4 2345 B14R0.181 C/C=C(\C)/C(=O)CCCCCCCCC 1458a_100020587367_100000210670 [0,1,0,0,0,0|1,0,2]=4 2346 B14R0.181 C/C=C(\C)/C(=O)NCCCCCCCC 11a_100000229939_100020587367 [0,1,0,0,0,0|1,0,2]=4 2347 B14R0.181 C/C=C(\C)/C(=O)NCCCCCCCC 1626a_100000229939_100020587367 [0,1,0,0,0,0|1,0,2]=4 2348 B14R0.181 C=CC(C)C(=O)CCCCCCCCC 1458a_100011216780_100000210670 [0,1,0,0,0,0|1,0,2]=4 2349 B14R0.181 C=CC(C)C(=O)NCCCCCCCC 11a_100000229939_100011216780 [0,1,0,0,0,0|1,0,2]=4 2350 B14R0.181 C=CC(C)C(=O)NCCCCCCCC 1626a_100000229939_100011216780 [0,1,0,0,0,0|1,0,2]=4 2351 B14R0.181 C=CC(C)C(=O)NCCCCCCCC 240690a_100000229939_100011216780 [0,1,0,0,0,0|1,0,2]=4 2352 B14R0.181 C=CC(C)C(=O)NCCCCCCCC 527a_100000229939_100011216780 [0,1,0,0,0,0|1,0,2]=4 2353 B14R0.181 C=CCCCCCCCC(=O)C(C)CC 1458a_100011192722_100012355270 [0,1,0,0,0,0|1,0,2]=4 2354 B14R0.181 C=CCCCCCCCC(=O)C(C)CC 1458a_100011216160_100000758301 [0,1,0,0,0,0|1,0,2]=4 2355 B14R0.181 C=CCCCCCCCC(=O)C(O)CC 1458a_100011196387_100012355270 [0,1,0,0,0,0|1,0,2]=4 2356 B14R0.181 CCC(C)C(=O)CCCCCCCCO 1458a_100011192722_100000033203 [0,1,0,0,0,0|2,0,0]=3 2357 B14R0.181 CCC(C)C(=O)NCCCCCCCO 240690a_100011996573_100011192722 [0,1,0,0,0,0|2,0,0]=3 2358 B14R0.181 CCC(C)C(=O)NCCCOCCCO 240690a_100011310245_100011192722 [0,1,0,0,0,0|3,0,0]=4 2359 B14R0.181 CCC(C)C(=O)NCCCOCCOC 1626a_100000206027_100011192722 [0,1,0,0,0,0|3,0,0]=4 2360 B14R0.181 CCC(C)C(=O)NCCCOCCOC 240690a_100000206027_100011192722 [0,1,0,0,0,0|3,0,0]=4 2361 B14R0.181 CCC(C)C(C)OCCCCCCCO 7a_100011215189_100000760002 [0,1,0,0,0,0|2,0,1]=4 2362 B14R0.181 CCC(C)C(C)OCCCCCCOC 7a_100011215189_100011998445 [0,1,0,0,0,0|2,0,1]=4 2363 B14R0.181 CCC(O)C(=O)CCCCCCCCO 1458a_100011196387_100000033203 [0,1,0,0,0,0|2,0,0]=3 2364 B14R0.181 CCC(O)C(=O)NCCCCCCCO 240690a_100011996573_100011196387 [0,1,0,0,0,0|2,0,0]=3 2365 B14R0.181 CCC(O)C(=O)NCCCOCCCO 240690a_100011310245_100011196387 [0,1,0,0,0,0|3,0,0]=4 2366 B14R0.181 CCC(O)C(=O)NCCCOCCOC 240690a_100000206027_100011196387 [0,1,0,0,0,0|3,0,0]=4 2367 B14R0.181 CCCCC#CCCCC(=O)C(C)CC 1458a_100011192722_200000047210 [0,1,0,0,0,0|1,0,2]=4 2368 B14R0.181 CCCCC#CCCCC(=O)C(O)CC 1458a_100011196387_200000047210 [0,1,0,0,0,0|1,0,2]=4 2369 B14R0.181 CCCCC/C=C/CCC(=O)C(C)CC 1458a_200015255902_100000758301 [0,1,0,0,0,0|1,0,2]=4 2370 B14R0.181 CCCCCC/C=C/CC(=O)C(C)CC 1458a_100020681715_100000758301 [0,1,0,0,0,0|1,0,2]=4 2371 B14R0.181 CCCCCCC=NNC(=O)C(C)CC 4a_100000740736_100000234349 [0,1,0,0,0,0|2,0,1]=4 2372 B14R0.181 CCCCCCCC=CC(=O)C(C)CC 1458a_200015332781_100000758301 [0,1,0,0,0,0|1,0,1]=3 2373 B14R0.181 CCCCCCCC=CC(=O)N(C)CC 11a_100000225621_200015332781 [0,1,0,0,0,0|2,0,1]=4 2374 B14R0.181 CCCCCCCC=CC(=O)N(C)CC 1626a_100000225621_200015332781 [0,1,0,0,0,0|2,0,1]=4 2375 B14R0.181 CCCCCCCC=CC(=O)N(C)CC 240690a_100000225621_200015332781 [0,1,0,0,0,0|2,0,1]=4 2376 B14R0.181 CCCCCCCCCC(=O)C(=O)NC 1458a_100011218921_100000210670 [0,1,0,0,0,0|2,0,1]=4 2377 B14R0.181 CCCCCCCCCC(=O)C(C)C#N 1458a_100000210558_100000703298 [0,1,0,0,0,0|2,0,1]=4 2378 B14R0.181 CCCCCCCCCC(=O)C(C)C#N 1458a_100000753662_100000210670 [0,1,0,0,0,0|2,0,1]=4 2379 B14R0.181 CCCCCCCCCC(=O)C(C)CC 1458a_100000210558_100000758301 [0,1,0,0,0,0|1,0,0]=2 2380 B14R0.181 CCCCCCCCCC(=O)C(C)CC 1458a_100011192722_100000210670 [0,1,0,0,0,0|1,0,0]=2 2381 B14R0.181 CCCCCCCCCC(=O)C(C)OC 1458a_100000743197_100000210670 [0,1,0,0,0,0|2,0,0]=3 2382 B14R0.181 CCCCCCCCCC(=O)C(C)SC 1458a_100000149566_100000210670 [0,1,0,0,0,0|2,0,0]=3 2383 B14R0.181 CCCCCCCCCC(=O)C(O)CC 1458a_100011196387_100000210670 [0,1,0,0,0,0|1,0,0]=2 2384 B14R0.181 CCCCCCCCCC(=O)C(O)CO 1458a_100011215603_100000210670 [0,1,0,0,0,0|2,0,0]=3 2385 B14R0.181 CCCCCCCCCC(=O)N(C)CC 11a_100000225621_100000210558 [0,1,0,0,0,0|2,0,0]=3 2386 B14R0.181 CCCCCCCCCC(=O)N(C)CC 1626a_100000225621_100000210558 [0,1,0,0,0,0|2,0,0]=3 2387 B14R0.181 CCCCCCCCCC(=O)N(C)CC 240690a_100000225621_100000210558 [0,1,0,0,0,0|2,0,0]=3 2388 B14R0.181 CCCCCCCCCC(=O)N(C)CC 527a_100000225621_100000210558 [0,1,0,0,0,0|2,0,0]=3 2389 B14R0.181 CCCCCCCCCN(C)C(C)CC 2230a_100000232482_100000758301 [0,1,0,0,0,0|3,0,0]=4 2390 B14R0.181 CCCCCCCCCN(C)C(C)CC 2230a_100000741768_100011214924 [0,1,0,0,0,0|3,0,0]=4 2391 B14R0.181 CCCCCCCCCN(C)C(C)CC 269982a_100000232482_100000758301 [0,1,0,0,0,0|3,0,0]=4 2392 B14R0.181 CCCCCCCCCN(C)C(C)CC 269982a_100000741768_100000210670 [0,1,0,0,0,0|3,0,0]=4 2393 B14R0.181 CCCCCCCCNC(=O)C(=O)NC 1626a_100000229939_100011218921 [0,1,0,0,0,0|2,0,1]=4 2394 B14R0.181 CCCCCCCCNC(=O)C(=O)NC 240690a_100000229939_100011218921 [0,1,0,0,0,0|2,0,1]=4 2395 B14R0.181 CCCCCCCCNC(=O)C(=O)NC 527a_100000229939_100011218921 [0,1,0,0,0,0|2,0,1]=4 2396 B14R0.181 CCCCCCCCNC(=O)C(=O)OC 11a_100000229939_100000024059 [0,1,0,0,0,0|2,0,1]=4 2397 B14R0.181 CCCCCCCCNC(=O)C(=O)OC 1626a_100000229939_100000024059 [0,1,0,0,0,0|2,0,1]=4 2398 B14R0.181 CCCCCCCCNC(=O)C(=O)OC 240690a_100000229939_100000024059 [0,1,0,0,0,0|2,0,1]=4 2399 B14R0.181 CCCCCCCCNC(=O)C(=O)OC 527a_100000229939_100000024059 [0,1,0,0,0,0|2,0,1]=4 2400 B14R0.181 CCCCCCCCNC(=O)C(C)C#N 11a_100000229939_100000753662 [0,1,0,0,0,0|2,0,1]=4 2401 B14R0.181 CCCCCCCCNC(=O)C(C)C#N 1626a_100000229939_100000753662 [0,1,0,0,0,0|2,0,1]=4 2402 B14R0.181 CCCCCCCCNC(=O)C(C)C#N 240690a_100000229939_100000753662 [0,1,0,0,0,0|2,0,1]=4 2403 B14R0.181 CCCCCCCCNC(=O)C(C)C#N 527a_100000229939_100000753662 [0,1,0,0,0,0|2,0,1]=4 2404 B14R0.181 CCCCCCCCNC(=O)C(C)CC 11a_100000229939_100011192722 [0,1,0,0,0,0|1,0,0]=2 2405 B14R0.181 CCCCCCCCNC(=O)C(C)CC 1626a_100000229939_100011192722 [0,1,0,0,0,0|1,0,0]=2 2406 B14R0.181 CCCCCCCCNC(=O)C(C)CC 240690a_100000229939_100011192722 [0,1,0,0,0,0|1,0,0]=2 2407 B14R0.181 CCCCCCCCNC(=O)C(C)CC 527a_100000229939_100011192722 [0,1,0,0,0,0|1,0,0]=2 2408 B14R0.181 CCCCCCCCNC(=O)C(C)OC 11a_100000229939_100000743197 [0,1,0,0,0,0|2,0,0]=3 2409 B14R0.181 CCCCCCCCNC(=O)C(C)OC 1626a_100000229939_100000743197 [0,1,0,0,0,0|2,0,0]=3 2410 B14R0.181 CCCCCCCCNC(=O)C(C)OC 240690a_100000229939_100000743197 [0,1,0,0,0,0|2,0,0]=3 2411 B14R0.181 CCCCCCCCNC(=O)C(C)OC 527a_100000229939_100000743197 [0,1,0,0,0,0|2,0,0]=3 2412 B14R0.181 CCCCCCCCNC(=O)C(C)SC 11a_100000229939_100000149566 [0,1,0,0,0,0|2,0,0]=3 2413 B14R0.181 CCCCCCCCNC(=O)C(C)SC 1626a_100000229939_100000149566 [0,1,0,0,0,0|2,0,0]=3 2414 B14R0.181 CCCCCCCCNC(=O)C(C)SC 240690a_100000229939_100000149566 [0,1,0,0,0,0|2,0,0]=3 2415 B14R0.181 CCCCCCCCNC(=O)C(C)SC 527a_100000229939_100000149566 [0,1,0,0,0,0|2,0,0]=3 2416 B14R0.181 CCCCCCCCNC(=O)C(O)CC 240690a_100000229939_100011196387 [0,1,0,0,0,0|1,0,0]=2 2417 B14R0.181 CCCCCCCCNC(=O)C(O)CO 240690a_100000229939_100011215603 [0,1,0,0,0,0|2,0,0]=3 2418 B14R0.181 CCCCCCCCNC(=O)N(C)CC 2708a_100000229939_100000225621 [0,1,0,0,0,0|2,0,0]=3 2419 B14R0.181 CCCCCCCCNC(=O)N(C)CC 273464a_100000229939_100000225621 [0,1,0,0,0,0|2,0,0]=3 2420 B14R0.181 CCCCCCCCNC(C)C(C)CC 269862a_100000229939_100000210599 [0,1,0,0,0,0|2,0,1]=4 2421 B14R0.181 CCCCCCCCNC(C)C(C)CC 270004a_100000229939_100000210599 [0,1,0,0,0,0|2,0,1]=4 2422 B14R0.181 CCCCCCCCOC(C)C(=O)CC 7a_100000210232_100000742827 [0,1,0,0,0,0|1,0,2]=4 2423 B14R0.181 CCCCCCCCOC(C)C(C)CC 7a_100011215189_100000210759 [0,1,0,0,0,0|1,0,1]=3 2424 B14R0.181 CCCCCCCNCC(=O)N(C)CC 2230a_100000229938_100000738999 [0,1,0,0,0,0|3,0,0]=4 2425 B14R0.181 CCCCCCCOCC(=O)N(C)CC 34a_100000210272_100000738999 [0,1,0,0,0,0|3,0,0]=4 2426 B14R0.181 CCCCCCCOCC(=O)N(C)CC 7a_100000210272_100000738999 [0,1,0,0,0,0|3,0,0]=4 2427 B14R0.181 CCCCCCCSCC(=O)N(C)CC 62a_100000210614_100000738999 [0,1,0,0,0,0|3,0,0]=4 2428 B14R0.181 CCCCCCCSCC(=O)N(C)CC 62a_100000738999_100000210316 [0,1,0,0,0,0|3,0,0]=4 2429 B14R0.181 CCCCOCCCNC(=O)C(C)CC 1626a_200000211371_100011192722 [0,1,0,0,0,0|2,0,0]=3 2430 B14R0.181 CCCCOCCCNC(=O)C(C)CC 240690a_200000211371_100011192722 [0,1,0,0,0,0|2,0,0]=3 2431 B14R0.181 CCCCOCCCNC(=O)C(C)CC 527a_200000211371_100011192722 [0,1,0,0,0,0|2,0,0]=3 2432 B14R0.181 CCCCOCCCNC(=O)C(C)OC 1626a_200000211371_100000743197 [0,1,0,0,0,0|3,0,0]=4 2433 B14R0.181 CCCCOCCCNC(=O)C(C)OC 240690a_200000211371_100000743197 [0,1,0,0,0,0|3,0,0]=4 2434 B14R0.181 CCCCOCCCNC(=O)C(C)OC 527a_200000211371_100000743197 [0,1,0,0,0,0|3,0,0]=4 2435 B14R0.181 CCCCOCCCNC(=O)C(C)SC 1626a_200000211371_100000149566 [0,1,0,0,0,0|3,0,0]=4 2436 B14R0.181 CCCCOCCCNC(=O)C(C)SC 240690a_200000211371_100000149566 [0,1,0,0,0,0|3,0,0]=4 2437 B14R0.181 CCCCOCCCNC(=O)C(C)SC 527a_200000211371_100000149566 [0,1,0,0,0,0|3,0,0]=4 2438 B14R0.181 CCCCOCCCNC(=O)C(O)CC 240690a_200000211371_100011196387 [0,1,0,0,0,0|2,0,0]=3 2439 B14R0.181 CCCCOCCCNC(=O)C(O)CO 240690a_200000211371_100011215603 [0,1,0,0,0,0|3,0,0]=4 2440 B14R0.181 CCCCOCCCNC(=O)N(C)CC 2708a_200000211371_100000225621 [0,1,0,0,0,0|3,0,0]=4 2441 B14R0.181 CCCCOCCCNC(=O)N(C)CC 273464a_200000211371_100000225621 [0,1,0,0,0,0|3,0,0]=4 2442 B14R0.181 CCCCOCCOCC(=O)C(C)CC 1458a_100011216887_100000758301 [0,1,0,0,0,0|3,0,0]=4 2443 B14R0.181 CCN(C)C(=O)CCCCCCCCO 240690a_100000225621_100000015970 [0,1,0,0,0,0|3,0,0]=4 2444 B14R0.181 CCN(C)C(=O)NCCCCCCCO 2708a_100011996573_100000225621 [0,1,0,0,0,0|3,0,0]=4 2445 B14R0.181 CCN(C)C(=O)NCCCCCCCO 273464a_100011996573_100000225621 [0,1,0,0,0,0|3,0,0]=4 2446 B14R0.181 CCOCCOCCNC(=O)C(C)CC 11a_100102712874_100011192722 [0,1,0,0,0,0|3,0,0]=4 2447 B14R0.181 CCOCCOCCNC(=O)C(C)CC 1626a_100102712874_100011192722 [0,1,0,0,0,0|3,0,0]=4 2448 B14R0.181 CCOCCOCCNC(=O)C(C)CC 240690a_100102712874_100011192722 [0,1,0,0,0,0|3,0,0]=4 2449 B14R0.181 CCOCCOCCNC(=O)C(C)CC 527a_100102712874_100011192722 [0,1,0,0,0,0|3,0,0]=4 2450 B14R0.181 CCOCCOCCNC(=O)C(O)CC 240690a_100102712874_100011196387 [0,1,0,0,0,0|3,0,0]=4 2451 B14R0.181 COC(C)C(=O)CCCCCCCCO 1458a_100000743197_100000033203 [0,1,0,0,0,0|3,0,0]=4 2452 B14R0.181 COC(C)C(=O)NCCCCCCCO 240690a_100011996573_100000743197 [0,1,0,0,0,0|3,0,0]=4 2453 B14R0.181 CSC(C)C(=O)CCCCCCCCO 1458a_100000149566_100000033203 [0,1,0,0,0,0|3,0,0]=4 2454 B14R0.181 CSC(C)C(=O)NCCCCCCCO 240690a_100011996573_100000149566 [0,1,0,0,0,0|3,0,0]=4 2455 B14R0.181 O=C(CCCCCCCCO)C(O)CO 1458a_100011215603_100000033203 [0,1,0,0,0,0|3,0,0]=4 2456 B14R0.181 O=C(NCCCCCCCO)C(O)CO 240690a_100011996573_100011215603 [0,1,0,0,0,0|3,0,0]=4 2457 B14R0.199 C#CCCCCC(=O)COC(=O)CCC 1458a_100000696528_100000034017 [0,1,0,0,0,0|0,0,3]=4 2458 B14R0.199 C=CCCCCC(=O)COC(=O)CCC 1458a_100011215552_100000034017 [0,1,0,0,0,0|0,0,3]=4 2459 B14R0.199 C=CCCCCN(C)COC(=O)CCC 2230a_100012000471_100000034017 [0,1,0,0,0,0|1,0,2]=4 2460 B14R0.199 C=CCCCCN(C)COC(=O)CCC 269982a_100012000471_100000034017 [0,1,0,0,0,0|1,0,2]=4 2461 B14R0.199 CCC/C=C/CC(=O)COC(=O)CCC 1458a_200016266809_100000034017 [0,1,0,0,0,0|0,0,3]=4 2462 B14R0.199 CCCC(=O)OCC(=O)CCCCCO 1458a_100102619762_100000034017 [0,1,0,0,0,0|1,0,1]=3 2463 B14R0.199 CCCC(=O)OCC(=O)CCOCCO 1458a_100011229844_100000034017 [0,1,0,0,0,0|2,0,1]=4 2464 B14R0.199 CCCC(=O)OCC(=O)COCCOC 1458a_100000211095_100000034017 [0,1,0,0,0,0|2,0,1]=4 2465 B14R0.199 CCCC(=O)OCN(C)CCCCCO 2230a_100000722520_100000034017 [0,1,0,0,0,0|2,0,0]=3 2466 B14R0.199 CCCC(=O)OCN(C)CCCCCO 269982a_100000722520_100000034017 [0,1,0,0,0,0|2,0,0]=3 2467 B14R0.199 CCCC(=O)OCN(C)CCOCCO 2230a_100000228057_100000034017 [0,1,0,0,0,0|3,0,0]=4 2468 B14R0.199 CCCC(=O)OCN(C)CCOCCO 269982a_100000228057_100000034017 [0,1,0,0,0,0|3,0,0]=4 2469 B14R0.199 CCCCC=CC(=O)COC(=O)CCC 1458a_100016266645_100000034017 [0,1,0,0,0,0|0,0,3]=4 2470 B14R0.199 CCCCCCC(=NNC(=O)CCC)C 4a_100000189770_100000210826 [0,1,0,0,0,0|2,0,1]=4 2471 B14R0.199 CCCCCCC(=O)CCC(=O)NCC 1458a_100000199579_100000210757 [0,1,0,0,0,0|2,0,1]=4 2472 B14R0.199 CCCCCCC(=O)CCC(=O)OCC 1458a_100000183558_100000210757 [0,1,0,0,0,0|2,0,1]=4 2473 B14R0.199 CCCCCCC(=O)CNC(=O)OCC 1458a_100000190774_100000210757 [0,1,0,0,0,0|2,0,1]=4 2474 B14R0.199 CCCCCCC(=O)COC(=O)CCC 1458a_100102632555_100000034017 [0,1,0,0,0,0|0,0,1]=2 2475 B14R0.199 CCCCCCC(=O)NNC(=O)CCC 22a_100000189770_100102632555 [0,1,0,0,0,0|2,0,1]=4 2476 B14R0.199 CCCCCCC(=O)NNC(=O)CCC 22a_100011221127_100000211992 [0,1,0,0,0,0|2,0,1]=4 2477 B14R0.199 CCCCCCC(C)NCC(=O)CCC 2230a_100000210919_100000747444 [0,1,0,0,0,0|2,0,0]=3 2478 B14R0.199 CCCCCCC(C)NCC(=O)NCC 2230a_100000210919_100000183381 [0,1,0,0,0,0|3,0,0]=4 2479 B14R0.199 CCCCCCC(C)NCC(=O)NCC 2230a_100016988866_100011215978 [0,1,0,0,0,0|3,0,0]=4 2480 B14R0.199 CCCCCCC(C)NCC(=O)NCC 270004a_100016988866_100000210826 [0,1,0,0,0,0|3,0,0]=4 2481 B14R0.199 CCCCCCC(C)NCC(=O)NCC 34a_100000210919_100000183381 [0,1,0,0,0,0|3,0,0]=4 2482 B14R0.199 CCCCCCC(C)NCC(=O)OCC 2230a_100000210919_100000188475 [0,1,0,0,0,0|3,0,0]=4 2483 B14R0.199 CCCCCCC(C)NCC(=O)OCC 34a_100000210919_100000188475 [0,1,0,0,0,0|3,0,0]=4 2484 B14R0.199 CCCCCCC(C)OCC(=O)CCC 7a_100000210265_100000747444 [0,1,0,0,0,0|2,0,0]=3 2485 B14R0.199 CCCCCCC(C)OCC(=O)NCC 34a_100000210265_100000183381 [0,1,0,0,0,0|3,0,0]=4 2486 B14R0.199 CCCCCCC(C)OCC(=O)NCC 7a_100000210265_100000183381 [0,1,0,0,0,0|3,0,0]=4 2487 B14R0.199 CCCCCCC(C)OCC(=O)OCC 34a_100000210265_100000188475 [0,1,0,0,0,0|3,0,0]=4 2488 B14R0.199 CCCCCCC(C)OCC(=O)OCC 7a_100000210265_100000188475 [0,1,0,0,0,0|3,0,0]=4 2489 B14R0.199 CCCCCCC(C)SCC(=O)CCC 62a_100000747444_100011215978 [0,1,0,0,0,0|2,0,0]=3 2490 B14R0.199 CCCCCCC(C)SCC(=O)CCC 62a_100011215978_100000747444 [0,1,0,0,0,0|2,0,0]=3 2491 B14R0.199 CCCCCCC(C)SCC(=O)NCC 62a_100000183381_100011215978 [0,1,0,0,0,0|3,0,0]=4 2492 B14R0.199 CCCCCCC(C)SCC(=O)NCC 62a_100011215978_100000183381 [0,1,0,0,0,0|3,0,0]=4 2493 B14R0.199 CCCCCCC(C)SCC(=O)OCC 62a_100000188475_100011215978 [0,1,0,0,0,0|3,0,0]=4 2494 B14R0.199 CCCCCCC(C)SCC(=O)OCC 62a_100011215978_100000188475 [0,1,0,0,0,0|3,0,0]=4 2495 B14R0.199 CCCCCCN(C)CCC(=O)NCC 2230a_106256046315_100000737597 [0,1,0,0,0,0|3,0,0]=4 2496 B14R0.199 CCCCCCN(C)CCC(=O)NCC 269982a_106256046315_100000737597 [0,1,0,0,0,0|3,0,0]=4 2497 B14R0.199 CCCCCCN(C)CCC(=O)OCC 2230a_100000745921_100000210314 [0,1,0,0,0,0|3,0,0]=4 2498 B14R0.199 CCCCCCN(C)CCC(=O)OCC 2230a_106256046315_100011206558 [0,1,0,0,0,0|3,0,0]=4 2499 B14R0.199 CCCCCCN(C)CCC(=O)OCC 269982a_100000745921_100000210757 [0,1,0,0,0,0|3,0,0]=4 2500 B14R0.199 CCCCCCN(C)CCC(=O)OCC 269982a_106256046315_100011206558 [0,1,0,0,0,0|3,0,0]=4 2501 B14R0.199 CCCCCCN(C)COC(=O)CCC 2230a_106256046315_100000034017 [0,1,0,0,0,0|1,0,0]=2 2502 B14R0.199 CCCCCCN(C)COC(=O)CCC 269982a_106256046315_100000034017 [0,1,0,0,0,0|1,0,0]=2 2503 B14R0.199 CCCCCNC(C)CCC(=O)OCC 2230a_100000209983_100000748298 [0,1,0,0,0,0|3,0,0]=4 2504 B14R0.199 CCCCCOC(C)CCC(=O)OCC 34a_100000210253_100000748298 [0,1,0,0,0,0|3,0,0]=4 2505 B14R0.199 CCCCCOC(C)CCC(=O)OCC 7a_100000210253_100000748298 [0,1,0,0,0,0|3,0,0]=4 2506 B14R0.199 CCCCCSC(C)CCC(=O)OCC 62a_100000210326_100000748298 [0,1,0,0,0,0|3,0,0]=4 2507 B14R0.199 CCCCCSC(C)CCC(=O)OCC 62a_100000748298_100000210326 [0,1,0,0,0,0|3,0,0]=4 2508 B14R0.199 CCCCOCC(=O)COC(=O)CCC 1458a_100000757543_100000034017 [0,1,0,0,0,0|1,0,1]=3 2509 B14R0.199 CCCCOCC(C)OCC(=O)CCC 7a_100011217071_100000747444 [0,1,0,0,0,0|3,0,0]=4 2510 B14R0.199 CCCCSCC(=O)COC(=O)CCC 1458a_100000191162_100000034017 [0,1,0,0,0,0|1,0,1]=3 2511 B14R0.391 C#CCCCCCCCC(=O)CC(C)C 1458a_100000087357_100000210624 [0,1,0,0,0,0|1,0,2]=4 2512 B14R0.391 C#CCCCCCCCC(=O)CC(C)C 1458a_100000210554_100153394163 [0,1,0,0,0,0|1,0,2]=4 2513 B14R0.391 C#CCCCCCCCC(=O)CC(C)O 1458a_100000087357_100011218427 [0,1,0,0,0,0|1,0,2]=4 2514 B14R0.391 C#CCCCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100153394163 [0,1,0,0,0,0|1,0,2]=4 2515 B14R0.391 C=C(C)CC(=O)C=CCCCCCCC 1458a_200015332781_100000748629 [0,1,0,0,0,0|1,0,2]=4 2516 B14R0.391 C=C(C)CC(=O)CCCCCCCCC 1458a_100000210558_100000748629 [0,1,0,0,0,0|1,0,1]=3 2517 B14R0.391 C=C(F)CC(=O)CCCCCCCCC 1458a_100000210558_100009893438 [0,1,0,0,0,0|1,0,2]=4 2518 B14R0.391 C=CCCCCCCCC(=O)CC(C)C 1458a_100000210554_100012355270 [0,1,0,0,0,0|1,0,2]=4 2519 B14R0.391 C=CCCCCCCCC(=O)CC(C)C 1458a_100011216160_100000210624 [0,1,0,0,0,0|1,0,2]=4 2520 B14R0.391 C=CCCCCCCCC(=O)CC(C)O 1458a_100011216160_100011218427 [0,1,0,0,0,0|1,0,2]=4 2521 B14R0.391 C=CCCCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100012355270 [0,1,0,0,0,0|1,0,2]=4 2522 B14R0.391 CC(=O)CC(=O)OCCNCCCCO 34a_100000750430_100000102702 [0,1,0,0,0,0|2,0,1]=4 2523 B14R0.391 CC(=O)CC(=O)OCCOCCCCBr 34a_100011216708_100000102702 [0,1,0,0,0,0|2,0,1]=4 2524 B14R0.391 CC(=O)CC(=O)OCCOCCCCCl 34a_100000210776_100000102702 [0,1,0,0,0,0|2,0,1]=4 2525 B14R0.391 CC(=O)CC(=O)OCCOCCCCF 34a_100011995726_100000102702 [0,1,0,0,0,0|2,0,1]=4 2526 B14R0.391 CC(=O)CC(=O)OCCOCCCCI 34a_200012148704_100000102702 [0,1,0,0,0,0|2,0,1]=4 2527 B14R0.391 CC(=O)CC(=O)OCCOCCCCN 34a_100000750430_100000102702 [0,1,0,0,0,0|2,0,1]=4 2528 B14R0.391 CC(=O)CC(=O)OCCSCCCCF 62a_100000102702_100000729493 [0,1,0,0,0,0|2,0,1]=4 2529 B14R0.391 CC(=O)CC(=O)OCCSCCCCF 62a_100000729493_100000102702 [0,1,0,0,0,0|2,0,1]=4 2530 B14R0.391 CC(=O)CC(=O)OCCSCCCCO 62a_100000102702_100000210776 [0,1,0,0,0,0|2,0,1]=4 2531 B14R0.391 CC(=O)CC(=O)OCCSCCCCO 62a_100000210776_100000102702 [0,1,0,0,0,0|2,0,1]=4 2532 B14R0.391 CC(C)CC(=O)CCCCCCCCO 1458a_100000210554_100000033203 [0,1,0,0,0,0|2,0,0]=3 2533 B14R0.391 CC(C)CC(=O)NCCCCCCCO 240690a_100011996573_100000210554 [0,1,0,0,0,0|2,0,0]=3 2534 B14R0.391 CC(C)CC(=O)NCCCOCCCO 240690a_100011310245_100000210554 [0,1,0,0,0,0|3,0,0]=4 2535 B14R0.391 CC(C)CC(C)OCCCCCCCBr 34a_100000760002_100000731052 [0,1,0,0,0,0|2,0,1]=4 2536 B14R0.391 CC(C)CC(C)OCCCCCCCBr 7a_100000760002_100000731052 [0,1,0,0,0,0|2,0,1]=4 2537 B14R0.391 CC(C)CC(C)OCCCCCCCN 34a_100011996573_100000731052 [0,1,0,0,0,0|2,0,1]=4 2538 B14R0.391 CC(C)CC(C)OCCCCCCCO 34a_100000211805_100000760002 [0,1,0,0,0,0|2,0,1]=4 2539 B14R0.391 CC(C)CC(C)OCCCCCCCO 7a_100000211805_100000760002 [0,1,0,0,0,0|2,0,1]=4 2540 B14R0.391 CC(C)NC(=O)CCCCCCCCO 240690a_100138425928_100000015970 [0,1,0,0,0,0|3,0,0]=4 2541 B14R0.391 CC(C)NC(=O)NCCCCCCCO 2708a_100011996573_100138425928 [0,1,0,0,0,0|3,0,0]=4 2542 B14R0.391 CC(C)NC(=O)NCCCCCCCO 2708a_100138425928_100011996573 [0,1,0,0,0,0|3,0,0]=4 2543 B14R0.391 CC(C)NC(=O)NCCCCCCCO 273464a_100138425928_100011996573 [0,1,0,0,0,0|3,0,0]=4 2544 B14R0.391 CC(C)NC(=O)NCCCCCCCO 512a_100011996573_100138425928 [0,1,0,0,0,0|3,0,0]=4 2545 B14R0.391 CC(C)NC(=O)NCCCCCCCO 512a_100138425928_100011996573 [0,1,0,0,0,0|3,0,0]=4 2546 B14R0.391 CC(C)OC(=O)OCSCCCCCF 62a_100000003507_100000729378 [0,1,0,0,0,0|3,0,0]=4 2547 B14R0.391 CC(C)OC(=O)OCSCCCCCF 62a_100000729378_100000003507 [0,1,0,0,0,0|3,0,0]=4 2548 B14R0.391 CC(C)OC(=O)OCSCCCCCO 62a_100000003507_100000746330 [0,1,0,0,0,0|3,0,0]=4 2549 B14R0.391 CC(C)OC(=O)OCSCCCCCO 62a_100000746330_100000003507 [0,1,0,0,0,0|3,0,0]=4 2550 B14R0.391 CCCCC#CCCCC(=O)CC(C)C 1458a_100000210554_200000047210 [0,1,0,0,0,0|1,0,2]=4 2551 B14R0.391 CCCCC#CCCCC(=O)C[C@@H](C)O 1458a_100011933948_200000047210 [0,1,0,0,0,0|1,0,2]=4 2552 B14R0.391 CCCCC/C=C/CCC(=O)CC(C)C 1458a_200015255902_100000210624 [0,1,0,0,0,0|1,0,2]=4 2553 B14R0.391 CCCCC/C=C/CCC(=O)CC(C)O 1458a_200015255902_100011218427 [0,1,0,0,0,0|1,0,2]=4 2554 B14R0.391 CCCCCC/C=C/CC(=O)CC(C)C 1458a_100020681715_100000210624 [0,1,0,0,0,0|1,0,2]=4 2555 B14R0.391 CCCCCC/C=C/CC(=O)CC(C)O 1458a_100020681715_100011218427 [0,1,0,0,0,0|1,0,2]=4 2556 B14R0.391 CCCCCCC=NNC(=O)CC(C)C 4a_100000189787_100000234349 [0,1,0,0,0,0|2,0,1]=4 2557 B14R0.391 CCCCCCCC=CC(=O)CC(C)C 1458a_200015332781_100000210624 [0,1,0,0,0,0|1,0,1]=3 2558 B14R0.391 CCCCCCCC=CC(=O)CC(C)O 1458a_200015332781_100011218427 [0,1,0,0,0,0|1,0,1]=3 2559 B14R0.391 CCCCCCCC=CC(=O)CC(F)F 1458a_200015332781_100011934356 [0,1,0,0,0,0|2,0,1]=4 2560 B14R0.391 CCCCCCCC=CC(=O)NC(C)C 11a_100138425928_200015332781 [0,1,0,0,0,0|2,0,1]=4 2561 B14R0.391 CCCCCCCC=CC(=O)NC(C)C 1626a_100138425928_200015332781 [0,1,0,0,0,0|2,0,1]=4 2562 B14R0.391 CCCCCCCC=CC(=O)NC(C)C 240690a_100138425928_200015332781 [0,1,0,0,0,0|2,0,1]=4 2563 B14R0.391 CCCCCCCCCC(=O)C=C(C)C 1458a_100000211388_100000210670 [0,1,0,0,0,0|1,0,2]=4 2564 B14R0.391 CCCCCCCCCC(=O)C=C(C)Cl 1458a_200042562850_100000210670 [0,1,0,0,0,0|1,0,2]=4 2565 B14R0.391 CCCCCCCCCC(=O)C=C(C)I 1458a_100025716642_100000210670 [0,1,0,0,0,0|1,0,2]=4 2566 B14R0.391 CCCCCCCCCC(=O)CC(=O)N 1458a_100000210558_100000187820 [0,1,0,0,0,0|2,0,1]=4 2567 B14R0.391 CCCCCCCCCC(=O)CC(=O)N 1458a_100134613110_100000210670 [0,1,0,0,0,0|2,0,1]=4 2568 B14R0.391 CCCCCCCCCC(=O)CC(=O)[O-] 1458a_100000210558_100020667443 [0,1,0,0,0,0|2,0,1]=4 2569 B14R0.391 CCCCCCCCCC(=O)CC(C)C 1458a_100000210554_100000210670 [0,1,0,0,0,0|1,0,0]=2 2570 B14R0.391 CCCCCCCCCC(=O)CC(C)C 1458a_100000210558_100000210624 [0,1,0,0,0,0|1,0,0]=2 2571 B14R0.391 CCCCCCCCCC(=O)CC(C)O 1458a_100000210558_100011218427 [0,1,0,0,0,0|1,0,0]=2 2572 B14R0.391 CCCCCCCCCC(=O)CC(F)F 1458a_100000210558_100011934356 [0,1,0,0,0,0|2,0,0]=3 2573 B14R0.391 CCCCCCCCCC(=O)CN(C)C 1458a_100000750896_100000210670 [0,1,0,0,0,0|2,0,0]=3 2574 B14R0.391 CCCCCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210670 [0,1,0,0,0,0|1,0,0]=2 2575 B14R0.391 CCCCCCCCCC(=O)C[N+](=O)[O-] 1458a_100000210558_100000761209 [0,1,0,0,0,0|3,0,0]=4 2576 B14R0.391 CCCCCCCCCC(=O)C[S+](C)C 1458a_200159257847_100000210670 [0,1,0,0,0,0|2,0,0]=3 2577 B14R0.391 CCCCCCCCCC(=O)NC(C)C 11a_100138425928_100000210558 [0,1,0,0,0,0|2,0,0]=3 2578 B14R0.391 CCCCCCCCCC(=O)NC(C)C 1626a_100138425928_100000210558 [0,1,0,0,0,0|2,0,0]=3 2579 B14R0.391 CCCCCCCCCC(=O)NC(C)C 240690a_100138425928_100000210558 [0,1,0,0,0,0|2,0,0]=3 2580 B14R0.391 CCCCCCCCCC(=O)NC(C)C 527a_100138425928_100000210558 [0,1,0,0,0,0|2,0,0]=3 2581 B14R0.391 CCCCCCCCCN(C)CC(C)C 2230a_100000232482_100000210760 [0,1,0,0,0,0|3,0,0]=4 2582 B14R0.391 CCCCCCCCCN(C)CC(C)C 2230a_100000747067_100011214924 [0,1,0,0,0,0|3,0,0]=4 2583 B14R0.391 CCCCCCCCCN(C)CC(C)C 269982a_100000232482_100000210624 [0,1,0,0,0,0|3,0,0]=4 2584 B14R0.391 CCCCCCCCCN(C)CC(C)C 269982a_100000747067_100000210670 [0,1,0,0,0,0|3,0,0]=4 2585 B14R0.391 CCCCCCCCCN(C)CC(C)C 270004a_100000232482_100000210432 [0,1,0,0,0,0|3,0,0]=4 2586 B14R0.391 CCCCCCCCCN(C)CC(C)O 2230a_100000227577_100011214924 [0,1,0,0,0,0|3,0,0]=4 2587 B14R0.391 CCCCCCCCCN(C)CC(C)O 2230a_100000232482_100011218427 [0,1,0,0,0,0|3,0,0]=4 2588 B14R0.391 CCCCCCCCCN(C)CC(C)O 269982a_100000227577_100000210670 [0,1,0,0,0,0|3,0,0]=4 2589 B14R0.391 CCCCCCCCCN(C)CC(C)O 269982a_100000232482_100011218427 [0,1,0,0,0,0|3,0,0]=4 2590 B14R0.391 CCCCCCCCCN(C)C[C@@H](C)O 2230a_100000232482_100009817552 [0,1,0,0,0,0|3,0,0]=4 2591 B14R0.391 CCCCCCCCCN(C)C[C@@H](C)O 269982a_100000232482_100009817552 [0,1,0,0,0,0|3,0,0]=4 2592 B14R0.391 CCCCCCCCNC(=O)C=C(C)C 11a_100000229939_100000211388 [0,1,0,0,0,0|1,0,2]=4 2593 B14R0.391 CCCCCCCCNC(=O)C=C(C)C 1626a_100000229939_100000211388 [0,1,0,0,0,0|1,0,2]=4 2594 B14R0.391 CCCCCCCCNC(=O)C=C(C)C 240690a_100000229939_100000211388 [0,1,0,0,0,0|1,0,2]=4 2595 B14R0.391 CCCCCCCCNC(=O)C=C(C)Cl 11a_100000229939_200042562850 [0,1,0,0,0,0|1,0,2]=4 2596 B14R0.391 CCCCCCCCNC(=O)C=C(C)Cl 1626a_100000229939_200042562850 [0,1,0,0,0,0|1,0,2]=4 2597 B14R0.391 CCCCCCCCNC(=O)C=C(C)Cl 240690a_100000229939_200042562850 [0,1,0,0,0,0|1,0,2]=4 2598 B14R0.391 CCCCCCCCNC(=O)C=C(C)I 11a_100000229939_100025716642 [0,1,0,0,0,0|1,0,2]=4 2599 B14R0.391 CCCCCCCCNC(=O)C=C(C)I 1626a_100000229939_100025716642 [0,1,0,0,0,0|1,0,2]=4 2600 B14R0.391 CCCCCCCCNC(=O)CC(=O)N 240690a_100000229939_100134613110 [0,1,0,0,0,0|2,0,1]=4 2601 B14R0.391 CCCCCCCCNC(=O)CC(=O)N 527a_100000229939_100134613110 [0,1,0,0,0,0|2,0,1]=4 2602 B14R0.391 CCCCCCCCNC(=O)CC(C)C 11a_100000229939_100000210554 [0,1,0,0,0,0|1,0,0]=2 2603 B14R0.391 CCCCCCCCNC(=O)CC(C)C 1626a_100000229939_100000210554 [0,1,0,0,0,0|1,0,0]=2 2604 B14R0.391 CCCCCCCCNC(=O)CC(C)C 240690a_100000229939_100000210554 [0,1,0,0,0,0|1,0,0]=2 2605 B14R0.391 CCCCCCCCNC(=O)CC(C)C 527a_100000229939_100000210554 [0,1,0,0,0,0|1,0,0]=2 2606 B14R0.391 CCCCCCCCNC(=O)CN(C)C 11a_100000229939_100000750896 [0,1,0,0,0,0|2,0,0]=3 2607 B14R0.391 CCCCCCCCNC(=O)CN(C)C 240690a_100000229939_100000750896 [0,1,0,0,0,0|2,0,0]=3 2608 B14R0.391 CCCCCCCCNC(=O)CN(C)C 527a_100000229939_100000750896 [0,1,0,0,0,0|2,0,0]=3 2609 B14R0.391 CCCCCCCCNC(=O)C[C@@H](C)O 240690a_100000229939_100011933948 [0,1,0,0,0,0|1,0,0]=2 2610 B14R0.391 CCCCCCCCNC(=O)C[S+](C)C 11a_100000229939_200159257847 [0,1,0,0,0,0|2,0,0]=3 2611 B14R0.391 CCCCCCCCNC(=O)C[S+](C)C 1626a_100000229939_200159257847 [0,1,0,0,0,0|2,0,0]=3 2612 B14R0.391 CCCCCCCCNC(=O)C[S+](C)C 240690a_100000229939_200159257847 [0,1,0,0,0,0|2,0,0]=3 2613 B14R0.391 CCCCCCCCNC(=O)C[S+](C)C 527a_100000229939_200159257847 [0,1,0,0,0,0|2,0,0]=3 2614 B14R0.391 CCCCCCCCNC(=O)NC(C)C 2708a_100000229939_100138425928 [0,1,0,0,0,0|2,0,0]=3 2615 B14R0.391 CCCCCCCCNC(=O)NC(C)C 2708a_100138425928_100000229939 [0,1,0,0,0,0|2,0,0]=3 2616 B14R0.391 CCCCCCCCNC(=O)NC(C)C 273464a_100138425928_100000229939 [0,1,0,0,0,0|2,0,0]=3 2617 B14R0.391 CCCCCCCCNC(=O)NC(C)C 512a_100000229939_100138425928 [0,1,0,0,0,0|2,0,0]=3 2618 B14R0.391 CCCCCCCCNC(=O)NC(C)C 512a_100138425928_100000229939 [0,1,0,0,0,0|2,0,0]=3 2619 B14R0.391 CCCCCCCCNC(C)CC(C)C 2230a_100000229939_100000731052 [0,1,0,0,0,0|2,0,1]=4 2620 B14R0.391 CCCCCCCCNC(C)CC(C)C 2230a_100000692259_100000210759 [0,1,0,0,0,0|2,0,1]=4 2621 B14R0.391 CCCCCCCCNC(C)CC(C)C 34a_100000229939_100000731052 [0,1,0,0,0,0|2,0,1]=4 2622 B14R0.391 CCCCCCCCOC(C)CC(C)C 34a_100000210232_100000731052 [0,1,0,0,0,0|1,0,1]=3 2623 B14R0.391 CCCCCCCCOC(C)CC(C)C 34a_100000211805_100000210759 [0,1,0,0,0,0|1,0,1]=3 2624 B14R0.391 CCCCCCCCOC(C)CC(C)C 7a_100000210232_100000731052 [0,1,0,0,0,0|1,0,1]=3 2625 B14R0.391 CCCCCCCCOC(C)CC(C)C 7a_100000211805_100000210759 [0,1,0,0,0,0|1,0,1]=3 2626 B14R0.391 CCCCCCCCSC(C)CC(C)C 62a_100000210759_100000731052 [0,1,0,0,0,0|1,1,1]=4 2627 B14R0.391 CCCCCCCCSC(C)CC(C)C 62a_100000731052_100000210317 [0,1,0,0,0,0|1,1,1]=4 2628 B14R0.391 CCCCCCCNCC(=O)NC(C)C 2230a_100000168517_100000210681 [0,1,0,0,0,0|3,0,0]=4 2629 B14R0.391 CCCCCCCNCC(=O)NC(C)C 2230a_100000229938_100000183996 [0,1,0,0,0,0|3,0,0]=4 2630 B14R0.391 CCCCCCCNCC(=O)OC(C)C 2230a_100000229938_100011215430 [0,1,0,0,0,0|3,0,0]=4 2631 B14R0.391 CCCCCCCOCC(=O)NC(C)C 34a_100000210272_100000183996 [0,1,0,0,0,0|3,0,0]=4 2632 B14R0.391 CCCCCCCOCC(=O)NC(C)C 7a_100000210272_100000183996 [0,1,0,0,0,0|3,0,0]=4 2633 B14R0.391 CCCCCCCOCC(=O)OC(C)C 34a_100000210272_100011215430 [0,1,0,0,0,0|3,0,0]=4 2634 B14R0.391 CCCCCCCOCC(=O)OC(C)C 7a_100000210272_100011215430 [0,1,0,0,0,0|3,0,0]=4 2635 B14R0.391 CCCCCCCSCC(=O)NC(C)C 62a_100000183996_100000210316 [0,1,0,0,0,0|3,0,0]=4 2636 B14R0.391 CCCCCCCSCC(=O)NC(C)C 62a_100000210614_100000183996 [0,1,0,0,0,0|3,0,0]=4 2637 B14R0.391 CCCCCCCSCC(=O)OC(C)C 62a_100000210614_100011215430 [0,1,0,0,0,0|3,0,0]=4 2638 B14R0.391 CCCCCCCSCC(=O)OC(C)C 62a_100011215430_100000210316 [0,1,0,0,0,0|3,0,0]=4 2639 B14R0.391 CCCCCCNCCC(=O)NC(C)C 2230a_100000210581_100000737564 [0,1,0,0,0,0|3,0,0]=4 2640 B14R0.391 CCCCCCNCCC(=O)OC(C)C 2230a_100000210581_100000760027 [0,1,0,0,0,0|3,0,0]=4 2641 B14R0.391 CCCCCCOCCC(=O)NC(C)C 7a_100000210259_100000737564 [0,1,0,0,0,0|3,0,0]=4 2642 B14R0.391 CCCCCCOCCC(=O)OC(C)C 7a_100000210259_100000760027 [0,1,0,0,0,0|3,0,0]=4 2643 B14R0.391 CCCCCCSCCC(=O)NC(C)C 62a_100000210314_100000737564 [0,1,0,0,0,0|3,0,0]=4 2644 B14R0.391 CCCCCCSCCC(=O)NC(C)C 62a_100000737564_100000210757 [0,1,0,0,0,0|3,0,0]=4 2645 B14R0.391 CCCCCCSCCC(=O)OC(C)C 62a_100000210314_100000760027 [0,1,0,0,0,0|3,0,0]=4 2646 B14R0.391 CCCCCCSCCC(=O)OC(C)C 62a_100000760027_100000210757 [0,1,0,0,0,0|3,0,0]=4 2647 B14R0.391 CCCCCCSCOC(=O)OC(C)C 62a_100000003507_100000210757 [0,1,0,0,0,0|2,0,0]=3 2648 B14R0.391 CCCCCCSCOC(=O)OC(C)C 62a_100000210314_100000003507 [0,1,0,0,0,0|2,0,0]=3 2649 B14R0.391 CCCCCNCCOC(C)CC(C)C 34a_100000224656_100000731052 [0,1,0,0,0,0|2,0,1]=4 2650 B14R0.391 CCCCCOCCOC(=O)CC(=O)C 34a_100000210253_100000102702 [0,1,0,0,0,0|1,0,1]=3 2651 B14R0.391 CCCCCOCCOC(C)CC(C)C 34a_100011215259_100000731052 [0,1,0,0,0,0|2,0,1]=4 2652 B14R0.391 CCCCCOCCOC(C)CC(C)C 7a_100011215259_100000731052 [0,1,0,0,0,0|2,0,1]=4 2653 B14R0.391 CCCCCSCCOC(=O)CC(=O)C 62a_100000102702_100000210326 [0,1,0,0,0,0|1,0,1]=3 2654 B14R0.391 CCCCCSCCOC(=O)CC(=O)C 62a_100000210326_100000102702 [0,1,0,0,0,0|1,0,1]=3 2655 B14R0.391 CCCCOCCCNC(=O)CC(C)C 1626a_200000211371_100000210554 [0,1,0,0,0,0|2,0,0]=3 2656 B14R0.391 CCCCOCCCNC(=O)CC(C)C 240690a_200000211371_100000210554 [0,1,0,0,0,0|2,0,0]=3 2657 B14R0.391 CCCCOCCCNC(=O)CC(C)C 527a_200000211371_100000210554 [0,1,0,0,0,0|2,0,0]=3 2658 B14R0.391 CCCCOCCCNC(=O)CN(C)C 240690a_200000211371_100000750896 [0,1,0,0,0,0|3,0,0]=4 2659 B14R0.391 CCCCOCCCNC(=O)CN(C)C 527a_200000211371_100000750896 [0,1,0,0,0,0|3,0,0]=4 2660 B14R0.391 CCCCOCCCNC(=O)C[C@@H](C)O 240690a_200000211371_100011933948 [0,1,0,0,0,0|2,0,0]=3 2661 B14R0.391 CCCCOCCCNC(=O)C[S+](C)C 1626a_200000211371_200159257847 [0,1,0,0,0,0|3,0,0]=4 2662 B14R0.391 CCCCOCCCNC(=O)C[S+](C)C 240690a_200000211371_200159257847 [0,1,0,0,0,0|3,0,0]=4 2663 B14R0.391 CCCCOCCCNC(=O)C[S+](C)C 527a_200000211371_200159257847 [0,1,0,0,0,0|3,0,0]=4 2664 B14R0.391 CCCCOCCCNC(=O)NC(C)C 2708a_100138425928_200000211371 [0,1,0,0,0,0|3,0,0]=4 2665 B14R0.391 CCCCOCCCNC(=O)NC(C)C 2708a_200000211371_100138425928 [0,1,0,0,0,0|3,0,0]=4 2666 B14R0.391 CCCCOCCCNC(=O)NC(C)C 273464a_100138425928_200000211371 [0,1,0,0,0,0|3,0,0]=4 2667 B14R0.391 CCCCOCCCNC(=O)NC(C)C 512a_100138425928_200000211371 [0,1,0,0,0,0|3,0,0]=4 2668 B14R0.391 CCCCOCCCNC(=O)NC(C)C 512a_200000211371_100138425928 [0,1,0,0,0,0|3,0,0]=4 2669 B14R0.391 CCCCOCCCOC(C)CC(C)C 34a_200011215613_100000731052 [0,1,0,0,0,0|2,0,1]=4 2670 B14R0.391 CCCCOCCCOC(C)CC(C)C 7a_200011215613_100000731052 [0,1,0,0,0,0|2,0,1]=4 2671 B14R0.391 CCCCOCCOCC(=O)CC(C)C 1458a_100011216887_100000210624 [0,1,0,0,0,0|3,0,0]=4 2672 B14R0.391 CCCCOCCOCC(=O)CC(C)O 1458a_100011216887_100011218427 [0,1,0,0,0,0|3,0,0]=4 2673 B14R0.391 CCCCOCSCOC(=O)OC(C)C 62a_100000003507_100011995733 [0,1,0,0,0,0|3,0,0]=4 2674 B14R0.391 CCCCOCSCOC(=O)OC(C)C 62a_100011995733_100000003507 [0,1,0,0,0,0|3,0,0]=4 2675 B14R0.391 CCCOCCCCCC(=O)OC(C)C 34a_100000210258_200010986244 [0,1,0,0,0,0|3,0,0]=4 2676 B14R0.391 CCCOCCSCOC(=O)OC(C)C 62a_100000003507_100011215938 [0,1,0,0,0,0|3,0,0]=4 2677 B14R0.391 CCCOCCSCOC(=O)OC(C)C 62a_100011215938_100000003507 [0,1,0,0,0,0|3,0,0]=4 2678 B14R0.391 CCCSCCCCCC(=O)OC(C)C 62a_100000210303_200010986244 [0,1,0,0,0,0|3,0,0]=4 2679 B14R0.391 CCCSCCCCCC(=O)OC(C)C 62a_200010986244_100000210303 [0,1,0,0,0,0|3,0,0]=4 2680 B14R0.391 CCOCCCSCOC(=O)OC(C)C 62a_100000003507_100012232248 [0,1,0,0,0,0|3,0,0]=4 2681 B14R0.391 CCOCCCSCOC(=O)OC(C)C 62a_100012232248_100000003507 [0,1,0,0,0,0|3,0,0]=4 2682 B14R0.391 CCOCCNCCOC(=O)CC(=O)C 34a_102516460346_100000102702 [0,1,0,0,0,0|2,0,1]=4 2683 B14R0.391 CCOCCOCCNC(=O)CC(C)C 11a_100102712874_100000210554 [0,1,0,0,0,0|3,0,0]=4 2684 B14R0.391 CCOCCOCCNC(=O)CC(C)C 1626a_100102712874_100000210554 [0,1,0,0,0,0|3,0,0]=4 2685 B14R0.391 CCOCCOCCNC(=O)CC(C)C 240690a_100102712874_100000210554 [0,1,0,0,0,0|3,0,0]=4 2686 B14R0.391 CCOCCOCCNC(=O)CC(C)C 527a_100102712874_100000210554 [0,1,0,0,0,0|3,0,0]=4 2687 B14R0.391 CCOCCOCCNC(=O)C[C@@H](C)O 240690a_100102712874_100011933948 [0,1,0,0,0,0|3,0,0]=4 2688 B14R0.391 CCOCCOCCOC(=O)CC(=O)C 34a_100000210136_100000102702 [0,1,0,0,0,0|2,0,1]=4 2689 B14R0.391 CCOCCSCCOC(=O)CC(=O)C 62a_100000102702_100011215890 [0,1,0,0,0,0|2,0,1]=4 2690 B14R0.391 CCOCCSCCOC(=O)CC(=O)C 62a_100000210147_100000102702 [0,1,0,0,0,0|2,0,1]=4 2691 B14R0.391 CCSCCOCCOC(=O)CC(=O)C 34a_100000212035_100000102702 [0,1,0,0,0,0|2,0,1]=4 2692 B14R0.391 CCSCCSCCOC(=O)CC(=O)C 62a_100000102702_100000757381 [0,1,0,0,0,0|2,0,1]=4 2693 B14R0.391 CCSCCSCCOC(=O)CC(=O)C 62a_100000757381_100000102702 [0,1,0,0,0,0|2,0,1]=4 2694 B14R0.391 CN(C)CC(=O)CCCCCCCCO 1458a_100000750896_100000033203 [0,1,0,0,0,0|3,0,0]=4 2695 B14R0.391 CN(C)CC(=O)NCCCCCCCO 240690a_100011996573_100000750896 [0,1,0,0,0,0|3,0,0]=4 2696 B14R0.391 CNCCCOCCOC(=O)CC(=O)C 34a_100000213112_100000102702 [0,1,0,0,0,0|2,0,1]=4 2697 B14R0.391 COCCCCCCOC(C)CC(C)C 34a_100000211805_100011998445 [0,1,0,0,0,0|2,0,1]=4 2698 B14R0.391 COCCCCCCOC(C)CC(C)C 34a_200012092642_100000731052 [0,1,0,0,0,0|2,0,1]=4 2699 B14R0.391 COCCCCCCOC(C)CC(C)C 7a_100000211805_100011998445 [0,1,0,0,0,0|2,0,1]=4 2700 B14R0.391 COCCCCCCOC(C)CC(C)C 7a_200012092642_100000731052 [0,1,0,0,0,0|2,0,1]=4 2701 B14R0.391 COCCCCSCOC(=O)OC(C)C 62a_100000003507_100000730899 [0,1,0,0,0,0|3,0,0]=4 2702 B14R0.391 COCCCCSCOC(=O)OC(C)C 62a_100000730899_100000003507 [0,1,0,0,0,0|3,0,0]=4 2703 B14R0.391 COCCCNCCOC(=O)CC(=O)C 34a_100150723488_100000102702 [0,1,0,0,0,0|2,0,1]=4 2704 B14R0.391 COCCCOCCOC(=O)CC(=O)C 34a_100000740835_100000102702 [0,1,0,0,0,0|2,0,1]=4 2705 B14R0.391 COCCCSCCOC(=O)CC(=O)C 62a_100000102702_100000709357 [0,1,0,0,0,0|2,0,1]=4 2706 B14R0.391 COCCCSCCOC(=O)CC(=O)C 62a_100000709357_100000102702 [0,1,0,0,0,0|2,0,1]=4 2707 B14R0.391 COCCOCCCNC(=O)CC(C)C 1626a_100000206027_100000210554 [0,1,0,0,0,0|3,0,0]=4 2708 B14R0.391 COCCOCCCNC(=O)CC(C)C 240690a_100000206027_100000210554 [0,1,0,0,0,0|3,0,0]=4 2709 B14R0.391 COCCOCCCNC(=O)C[C@@H](C)O 240690a_100000206027_100011933948 [0,1,0,0,0,0|3,0,0]=4 2710 B14R0.391 CSCCCOCCOC(=O)CC(=O)C 34a_100000690336_100000102702 [0,1,0,0,0,0|2,0,1]=4 2711 B14R0.391 C[C@@H](O)CC(=O)CCCCCCCCO 1458a_100011933948_100000033203 [0,1,0,0,0,0|2,0,0]=3 2712 B14R0.391 C[C@@H](O)CC(=O)NCCCCCCCO 240690a_100011996573_100011933948 [0,1,0,0,0,0|2,0,0]=3 2713 B14R0.391 C[C@@H](O)CC(=O)NCCCOCCCO 240690a_100011310245_100011933948 [0,1,0,0,0,0|3,0,0]=4 2714 B14R0.391 C[S+](C)CC(=O)CCCCCCCCO 1458a_200159257847_100000033203 [0,1,0,0,0,0|3,0,0]=4 2715 B14R0.391 C[S+](C)CC(=O)NCCCCCCCO 240690a_100011996573_200159257847 [0,1,0,0,0,0|3,0,0]=4 2716 B14R0.393 C#CCC(=O)C=CCCCCCCCC 1458a_100015345288_100000184674 [0,1,0,0,0,0|1,0,2]=4 2717 B14R0.393 C#CCC(=O)CCCCCCCCCC 1458a_100000210375_100000184674 [0,1,0,0,0,0|1,0,2]=4 2718 B14R0.393 C#CCC(=O)CCCCCCCCCC 1458a_100011220946_100000210319 [0,1,0,0,0,0|1,0,2]=4 2719 B14R0.393 C#CCC(=O)CCCCCCCCCF 1458a_200009909015_100000184674 [0,1,0,0,0,0|1,0,2]=4 2720 B14R0.393 C#CCC(=O)CCCCCCCCCO 1458a_100011220946_100009813782 [0,1,0,0,0,0|1,0,2]=4 2721 B14R0.393 C#CCC(=O)COCCCCCCCC 1458a_100000759886_100000184674 [0,1,0,0,0,0|0,0,2]=3 2722 B14R0.393 C#CCC(=O)NCCCCCCCCC 1626a_100000212291_100011220946 [0,1,0,0,0,0|1,0,2]=4 2723 B14R0.393 C#CCC(=O)NCCCCCCCCC 527a_100000212291_100011220946 [0,1,0,0,0,0|1,0,2]=4 2724 B14R0.393 C#CCCCCCCCCC(=O)CCC 1458a_100000029693_100000210303 [0,1,0,0,0,0|1,0,1]=3 2725 B14R0.393 C#CCCCCCCCCC(=O)CCF 1458a_100000029693_100011217306 [0,1,0,0,0,0|2,0,1]=4 2726 B14R0.393 C#CCCCCCCCCC(=O)CCO 1458a_100000029693_100000211926 [0,1,0,0,0,0|2,0,1]=4 2727 B14R0.393 C#CCCCCCCCCC(=O)NCC 11a_100015525214_100000029693 [0,1,0,0,0,0|2,0,1]=4 2728 B14R0.393 C#CCCCCCCCCC(=O)NCC 240690a_100015525214_100000029693 [0,1,0,0,0,0|2,0,1]=4 2729 B14R0.393 C#CCCCCCCCCC(=O)NCC 527a_100015525214_100000029693 [0,1,0,0,0,0|2,0,1]=4 2730 B14R0.393 C#CCCCCCCCOC(C)CCC 34a_100000054614_100000766640 [0,1,0,0,0,0|1,0,2]=4 2731 B14R0.393 C#CCCCCCCCOC(C)CCC 34a_100000764384_100153394163 [0,1,0,0,0,0|1,0,2]=4 2732 B14R0.393 C#CCCCCCCCOC(C)CCC 7a_100000054614_100000766640 [0,1,0,0,0,0|1,0,2]=4 2733 B14R0.393 C#CCCCCCCCOC(C)CCC 7a_100000764384_100153394163 [0,1,0,0,0,0|1,0,2]=4 2734 B14R0.393 C#CCCCCCCOCC(=O)CCC 7a_100011217361_100000747444 [0,1,0,0,0,0|0,0,2]=3 2735 B14R0.393 C#CCCCCCCOCC(=O)NCC 34a_100011217361_100000183381 [0,1,0,0,0,0|1,0,2]=4 2736 B14R0.393 C#CCCCCCCOCC(=O)NCC 7a_100011217361_100000183381 [0,1,0,0,0,0|1,0,2]=4 2737 B14R0.393 C#CCCCCCCOCC(=O)OCC 34a_100011217361_100000188475 [0,1,0,0,0,0|1,0,2]=4 2738 B14R0.393 C#CCCCCCCOCC(=O)OCC 7a_100011217361_100000188475 [0,1,0,0,0,0|1,0,2]=4 2739 B14R0.393 C#CCCCCCCSCC(=O)CCC 62a_100000747444_100012276617 [0,1,0,0,0,0|0,1,2]=4 2740 B14R0.393 C#CCCCCCCSCC(=O)CCC 62a_100012276617_100000747444 [0,1,0,0,0,0|0,1,2]=4 2741 B14R0.393 C#CCCCCCOCOC(=O)CCC 34a_100000766912_100000034017 [0,1,0,0,0,0|0,0,2]=3 2742 B14R0.393 C#CCCCCCSCOC(=O)CCC 62a_100012094781_100000034017 [0,1,0,0,0,0|0,0,2]=3 2743 B14R0.393 C#CCCCCCSCOC(=O)OCC 62a_100012094781_100000075025 [0,1,0,0,0,0|1,0,2]=4 2744 B14R0.393 C=CCC(=O)C=CCCCCCCCC 1458a_100015345288_100000210623 [0,1,0,0,0,0|1,0,2]=4 2745 B14R0.393 C=CCC(=O)CCCCCCCCCC 1458a_100000210193_100000210319 [0,1,0,0,0,0|1,0,2]=4 2746 B14R0.393 C=CCC(=O)CCCCCCCCCC 1458a_100000210375_100000210623 [0,1,0,0,0,0|1,0,2]=4 2747 B14R0.393 C=CCC(=O)CCCCCCCCCF 1458a_200009909015_100000210623 [0,1,0,0,0,0|1,0,2]=4 2748 B14R0.393 C=CCC(=O)CCCCCCCCCO 1458a_100000210193_100009813782 [0,1,0,0,0,0|1,0,2]=4 2749 B14R0.393 C=CCC(=O)COCCCCCCCC 1458a_100000759886_100000210623 [0,1,0,0,0,0|0,0,2]=3 2750 B14R0.393 C=CCC(=O)NCCCCCCCCC 11a_100000212291_100000210193 [0,1,0,0,0,0|1,0,2]=4 2751 B14R0.393 C=CCC(=O)NCCCCCCCCC 1626a_100000212291_100000210193 [0,1,0,0,0,0|1,0,2]=4 2752 B14R0.393 C=CCC(=O)NCCCCCCCCC 240690a_100000212291_100000210193 [0,1,0,0,0,0|1,0,2]=4 2753 B14R0.393 C=CCC(=O)NCCCCCCCCC 527a_100000212291_100000210193 [0,1,0,0,0,0|1,0,2]=4 2754 B14R0.393 C=CCC(=O)NCCCCCCCCO 240690a_102515433106_100000210193 [0,1,0,0,0,0|1,0,2]=4 2755 B14R0.393 C=CCCCCCCCCC(=O)CCC 1458a_100000211349_100000210303 [0,1,0,0,0,0|1,0,1]=3 2756 B14R0.393 C=CCCCCCCCCC(=O)CCC 1458a_100000211992_100011933949 [0,1,0,0,0,0|1,0,1]=3 2757 B14R0.393 C=CCCCCCCCCC(=O)CCF 1458a_100000211349_100011217306 [0,1,0,0,0,0|2,0,1]=4 2758 B14R0.393 C=CCCCCCCCCC(=O)CCO 1458a_100000211349_100000211926 [0,1,0,0,0,0|2,0,1]=4 2759 B14R0.393 C=CCCCCCCCCC(=O)CCO 1458a_100011216618_100011933949 [0,1,0,0,0,0|2,0,1]=4 2760 B14R0.393 C=CCCCCCCCCC(=O)COC 1458a_100000210968_100011933949 [0,1,0,0,0,0|2,0,1]=4 2761 B14R0.393 C=CCCCCCCCCC(=O)CSC 1458a_100000184570_100011933949 [0,1,0,0,0,0|2,0,1]=4 2762 B14R0.393 C=CCCCCCCCCC(=O)NCC 11a_100015525214_100000211349 [0,1,0,0,0,0|2,0,1]=4 2763 B14R0.393 C=CCCCCCCCCC(=O)NCC 240690a_100015525214_100000211349 [0,1,0,0,0,0|2,0,1]=4 2764 B14R0.393 C=CCCCCCCCCC(=O)NCC 527a_100015525214_100000211349 [0,1,0,0,0,0|2,0,1]=4 2765 B14R0.393 C=CCCCCCCCOC(C)CCC 34a_100000730831_100000766640 [0,1,0,0,0,0|1,0,2]=4 2766 B14R0.393 C=CCCCCCCCOC(C)CCC 34a_100000764384_100012355270 [0,1,0,0,0,0|1,0,2]=4 2767 B14R0.393 C=CCCCCCCCOC(C)CCC 7a_100000730831_100000766640 [0,1,0,0,0,0|1,0,2]=4 2768 B14R0.393 C=CCCCCCCCOC(C)CCC 7a_100000764384_100012355270 [0,1,0,0,0,0|1,0,2]=4 2769 B14R0.393 C=CCCCCCCOCC(=O)CCC 7a_200011216477_100000747444 [0,1,0,0,0,0|0,0,2]=3 2770 B14R0.393 C=CCCCCCCOCC(=O)NCC 34a_200011216477_100000183381 [0,1,0,0,0,0|1,0,2]=4 2771 B14R0.393 C=CCCCCCCOCC(=O)NCC 7a_200011216477_100000183381 [0,1,0,0,0,0|1,0,2]=4 2772 B14R0.393 C=CCCCCCCOCC(=O)OCC 34a_200011216477_100000188475 [0,1,0,0,0,0|1,0,2]=4 2773 B14R0.393 C=CCCCCCCOCC(=O)OCC 7a_200011216477_100000188475 [0,1,0,0,0,0|1,0,2]=4 2774 B14R0.393 C=CCCCCCCSCC(=O)CCC 62a_100000747444_100011215473 [0,1,0,0,0,0|0,1,2]=4 2775 B14R0.393 C=CCCCCCCSCC(=O)CCC 62a_100011215473_100000747444 [0,1,0,0,0,0|0,1,2]=4 2776 B14R0.393 C=CCCCCCOCOC(=O)CCC 34a_100011216702_100000034017 [0,1,0,0,0,0|0,0,2]=3 2777 B14R0.393 C=CCCCCCSCOC(=O)CCC 62a_100000700193_100000034017 [0,1,0,0,0,0|0,0,2]=3 2778 B14R0.393 C=CCCCCCSCOC(=O)OCC 62a_100000700193_100000075025 [0,1,0,0,0,0|1,0,2]=4 2779 B14R0.393 C=COC(=O)COCCCCCCCC 34a_100000210232_100000036128 [0,1,0,0,0,0|1,0,2]=4 2780 B14R0.393 C=COCCCCOCOC(=O)CCC 34a_100000031558_100000034017 [0,1,0,0,0,0|1,0,2]=4 2781 B14R0.393 CC#CC(=O)CCCCCCCCCC 1458a_100000763181_100000210319 [0,1,0,0,0,0|1,0,2]=4 2782 B14R0.393 CC#CC(=O)CCCCCCCCCO 1458a_100000763181_100009813782 [0,1,0,0,0,0|1,0,2]=4 2783 B14R0.393 CC#CCCCCCCCC(=O)CCC 1458a_100000066323_100000210303 [0,1,0,0,0,0|1,0,1]=3 2784 B14R0.393 CC#CCCCCCCCC(=O)CCF 1458a_100000066323_100011217306 [0,1,0,0,0,0|2,0,1]=4 2785 B14R0.393 CC#CCCCCCCCC(=O)CCO 1458a_100000066323_100000211926 [0,1,0,0,0,0|2,0,1]=4 2786 B14R0.393 CC#CCCCCCCCC(=O)NCC 11a_100015525214_100000066323 [0,1,0,0,0,0|2,0,1]=4 2787 B14R0.393 CC#CCCCCCCCC(=O)NCC 240690a_100015525214_100000066323 [0,1,0,0,0,0|2,0,1]=4 2788 B14R0.393 CC#CCCCCCCCC(=O)NCC 527a_100015525214_100000066323 [0,1,0,0,0,0|2,0,1]=4 2789 B14R0.393 CC(CCBr)OCCCCCCCCO 34a_100012276601_100000033203 [0,1,0,0,0,0|2,0,1]=4 2790 B14R0.393 CC(CCO)OCCCCCCCCBr 34a_100009813846_100009893172 [0,1,0,0,0,0|2,0,1]=4 2791 B14R0.393 CC(CCO)OCCCCCCCCBr 7a_100009813846_100009893172 [0,1,0,0,0,0|2,0,1]=4 2792 B14R0.393 CC(CCO)OCCCCCCCCCl 34a_100000033203_100009893172 [0,1,0,0,0,0|2,0,1]=4 2793 B14R0.393 CC(CCO)OCCCCCCCCCl 7a_100000033203_100009893172 [0,1,0,0,0,0|2,0,1]=4 2794 B14R0.393 CC(CCO)OCCCCCCCCN 34a_102515433106_100009893172 [0,1,0,0,0,0|2,0,1]=4 2795 B14R0.393 CC/C=C/CCCOCOC(=O)CCC 34a_100016287902_100000034017 [0,1,0,0,0,0|0,0,2]=3 2796 B14R0.393 CC/C=C\CCCCCOC(C)CCC 34a_100016268722_100000766640 [0,1,0,0,0,0|1,0,2]=4 2797 B14R0.393 CC/C=C\CCCCCOC(C)CCC 7a_100016268722_100000766640 [0,1,0,0,0,0|1,0,2]=4 2798 B14R0.393 CC/C=C\CCCCOCC(=O)CCC 7a_100016287862_100000747444 [0,1,0,0,0,0|0,0,2]=3 2799 B14R0.393 CC/C=C\CCCCOCC(=O)NCC 34a_100016287862_100000183381 [0,1,0,0,0,0|1,0,2]=4 2800 B14R0.393 CC/C=C\CCCCOCC(=O)NCC 7a_100016287862_100000183381 [0,1,0,0,0,0|1,0,2]=4 2801 B14R0.393 CC/C=C\CCCCOCC(=O)OCC 34a_100016287862_100000188475 [0,1,0,0,0,0|1,0,2]=4 2802 B14R0.393 CC/C=C\CCCCOCC(=O)OCC 7a_100016287862_100000188475 [0,1,0,0,0,0|1,0,2]=4 2803 B14R0.393 CC=CC(=O)CCCCCCCCCC 1458a_100000210699_100000210319 [0,1,0,0,0,0|1,0,2]=4 2804 B14R0.393 CC=CC(=O)CCCCCCCCCO 1458a_100000210699_100009813782 [0,1,0,0,0,0|1,0,2]=4 2805 B14R0.393 CC=CC(=O)NCCCCCCCCC 11a_100000212291_100000210699 [0,1,0,0,0,0|1,0,2]=4 2806 B14R0.393 CC=CC(=O)NCCCCCCCCC 1626a_100000212291_100000210699 [0,1,0,0,0,0|1,0,2]=4 2807 B14R0.393 CC=CC(=O)NCCCCCCCCC 240690a_100000212291_100000210699 [0,1,0,0,0,0|1,0,2]=4 2808 B14R0.393 CC=CC(=O)NCCCCCCCCO 240690a_102515433106_100000210699 [0,1,0,0,0,0|1,0,2]=4 2809 B14R0.393 CCC#CCCCCCCC(=O)CCC 1458a_100000211992_200000036426 [0,1,0,0,0,0|1,0,1]=3 2810 B14R0.393 CCC#CCCCCCCC(=O)CCO 1458a_100011216618_200000036426 [0,1,0,0,0,0|2,0,1]=4 2811 B14R0.393 CCC#CCCCCCCC(=O)COC 1458a_100000210968_200000036426 [0,1,0,0,0,0|2,0,1]=4 2812 B14R0.393 CCC#CCCCCCCC(=O)CSC 1458a_100000184570_200000036426 [0,1,0,0,0,0|2,0,1]=4 2813 B14R0.393 CCCC#CCCOCOC(=O)CCC 34a_100000042726_100000034017 [0,1,0,0,0,0|0,0,2]=3 2814 B14R0.393 CCCC(=O)CCCCCCCCCF 1458a_200009909015_100000210303 [0,1,0,0,0,0|1,0,0]=2 2815 B14R0.393 CCCC(=O)CCCCCCCCCO 1458a_100000211992_100009813782 [0,1,0,0,0,0|1,0,0]=2 2816 B14R0.393 CCCC(=O)CCOCCOCCOC 1458a_100000211992_100013367474 [0,1,0,0,0,0|3,0,0]=4 2817 B14R0.393 CCCC(=O)CCOCCOCCOC 1458a_100012278103_100000210303 [0,1,0,0,0,0|3,0,0]=4 2818 B14R0.393 CCCC(=O)CNCCCCCCCO 2230a_100011996573_100000747444 [0,1,0,0,0,0|2,0,0]=3 2819 B14R0.393 CCCC(=O)CNCCCOCCCO 2230a_100011310245_100000747444 [0,1,0,0,0,0|3,0,0]=4 2820 B14R0.393 CCCC(=O)CNCCCOCCOC 2230a_100000206027_100000747444 [0,1,0,0,0,0|3,0,0]=4 2821 B14R0.393 CCCC(=O)CNCCOCCOCC 2230a_100102712874_100000747444 [0,1,0,0,0,0|3,0,0]=4 2822 B14R0.393 CCCC(=O)COCCCCCCCBr 7a_100000760002_100000747444 [0,1,0,0,0,0|1,0,0]=2 2823 B14R0.393 CCCC(=O)COCCCCCCOC 7a_200012092642_100000747444 [0,1,0,0,0,0|1,0,0]=2 2824 B14R0.393 CCCC(=O)COCCOCCOCC 7a_100000210240_100000747444 [0,1,0,0,0,0|2,0,0]=3 2825 B14R0.393 CCCC(=O)CSCCCCCCC#N 62a_100000747444_100009813337 [0,1,0,0,0,0|1,1,1]=4 2826 B14R0.393 CCCC(=O)CSCCCCCCC#N 62a_100009813337_100000747444 [0,1,0,0,0,0|1,1,1]=4 2827 B14R0.393 CCCC(=O)CSCCCCCCCO 62a_100000747444_100000760002 [0,1,0,0,0,0|1,1,0]=3 2828 B14R0.393 CCCC(=O)CSCCCCCCCO 62a_100000760002_100000747444 [0,1,0,0,0,0|1,1,0]=3 2829 B14R0.393 CCCC(=O)CSCCCCCCOC 62a_100000747444_100011998445 [0,1,0,0,0,0|1,1,0]=3 2830 B14R0.393 CCCC(=O)CSCCCCCCOC 62a_100011998445_100000747444 [0,1,0,0,0,0|1,1,0]=3 2831 B14R0.393 CCCC(=O)CSCCCOCCOC 62a_100000747444_100011216529 [0,1,0,0,0,0|2,1,0]=4 2832 B14R0.393 CCCC(=O)CSCCCOCCOC 62a_100011216529_100000747444 [0,1,0,0,0,0|2,1,0]=4 2833 B14R0.393 CCCC(=O)CSCCOCCOCC 62a_100000747444_100011211534 [0,1,0,0,0,0|2,1,0]=4 2834 B14R0.393 CCCC(=O)CSCCOCCOCC 62a_100011211534_100000747444 [0,1,0,0,0,0|2,1,0]=4 2835 B14R0.393 CCCC(=O)NCCCCCCCCO 240690a_102515433106_100000211992 [0,1,0,0,0,0|1,0,0]=2 2836 B14R0.393 CCCC(=O)NCCCCCCN=[N+]=[N-] 240690a_200000049180_100000211992 [0,1,0,0,0,0|3,0,0]=4 2837 B14R0.393 CCCC(=O)NCCOCCOCCO 240690a_100011998139_100000211992 [0,1,0,0,0,0|3,0,0]=4 2838 B14R0.393 CCCC(=O)OCNCCCCCCO 2230a_100000686447_100000034017 [0,1,0,0,0,0|1,0,0]=2 2839 B14R0.393 CCCC(=O)OCNCCCCCCO 34a_100000686447_100000034017 [0,1,0,0,0,0|1,0,0]=2 2840 B14R0.393 CCCC(=O)OCNCCCCCOC 2230a_100000747528_100000034017 [0,1,0,0,0,0|1,0,0]=2 2841 B14R0.393 CCCC(=O)OCNCCCCCOC 34a_100000747528_100000034017 [0,1,0,0,0,0|1,0,0]=2 2842 B14R0.393 CCCC(=O)OCNCCCCN=[N+]=[N-] 2230a_100000101370_100000034017 [0,1,0,0,0,0|3,0,0]=4 2843 B14R0.393 CCCC(=O)OCNCCOCCOC 2230a_100000745349_100000034017 [0,1,0,0,0,0|2,0,0]=3 2844 B14R0.393 CCCC(=O)OCNCCOCCOC 34a_100000745349_100000034017 [0,1,0,0,0,0|2,0,0]=3 2845 B14R0.393 CCCC(=O)OCOCCCCCCBr 34a_100011215345_100000034017 [0,1,0,0,0,0|1,0,0]=2 2846 B14R0.393 CCCC(=O)OCOCCCCCCCl 34a_100000766143_100000034017 [0,1,0,0,0,0|1,0,0]=2 2847 B14R0.393 CCCC(=O)OCOCCCCCCF 34a_100000732779_100000034017 [0,1,0,0,0,0|1,0,0]=2 2848 B14R0.393 CCCC(=O)OCOCCCCCCN 34a_100000686447_100000034017 [0,1,0,0,0,0|1,0,0]=2 2849 B14R0.393 CCCC(=O)OCOCCCCCNC 34a_100000722520_100000034017 [0,1,0,0,0,0|1,0,0]=2 2850 B14R0.393 CCCC(=O)OCOCCOCCNC 34a_100000228057_100000034017 [0,1,0,0,0,0|2,0,0]=3 2851 B14R0.393 CCCC(=O)OCOCCOCCOC 34a_100011215163_100000034017 [0,1,0,0,0,0|2,0,0]=3 2852 B14R0.393 CCCC(=O)OCSCCCCCC#N 62a_100009813376_100000034017 [0,1,0,0,0,0|1,0,1]=3 2853 B14R0.393 CCCC(=O)OCSCCCCCC=O 62a_100000139337_100000034017 [0,1,0,0,0,0|1,0,1]=3 2854 B14R0.393 CCCC(=O)OCSCCCCCCF 62a_100015922095_100000034017 [0,1,0,0,0,0|1,0,0]=2 2855 B14R0.393 CCCC(=O)OCSCCCCCCO 62a_100000766143_100000034017 [0,1,0,0,0,0|1,0,0]=2 2856 B14R0.393 CCCC(=O)OCSCCOCCOC 62a_100000695917_100000034017 [0,1,0,0,0,0|2,0,0]=3 2857 B14R0.393 CCCC(C)COCCCCCCCBr 34a_100000760002_100011216630 [0,1,0,0,0,0|2,0,1]=4 2858 B14R0.393 CCCC(C)COCCCCCCCBr 7a_100000760002_100011216630 [0,1,0,0,0,0|2,0,1]=4 2859 B14R0.393 CCCC(C)COCCCCCCCN 34a_100011996573_100011216630 [0,1,0,0,0,0|2,0,1]=4 2860 B14R0.393 CCCC(C)COCCCCCCCO 34a_100000688023_100000760002 [0,1,0,0,0,0|2,0,1]=4 2861 B14R0.393 CCCC(C)COCCCCCCCO 7a_100000688023_100000760002 [0,1,0,0,0,0|2,0,1]=4 2862 B14R0.393 CCCC(C)COCCCCCCOC 34a_100000688023_100011998445 [0,1,0,0,0,0|2,0,1]=4 2863 B14R0.393 CCCC(C)COCCCCCCOC 34a_200012092642_100011216630 [0,1,0,0,0,0|2,0,1]=4 2864 B14R0.393 CCCC(C)COCCCCCCOC 7a_100000688023_100011998445 [0,1,0,0,0,0|2,0,1]=4 2865 B14R0.393 CCCC(C)COCCCCCCOC 7a_200012092642_100011216630 [0,1,0,0,0,0|2,0,1]=4 2866 B14R0.393 CCCC(C)NCCCCCCCCO 2230a_100000741246_100000033203 [0,1,0,0,0,0|2,0,1]=4 2867 B14R0.393 CCCC(C)NCCCCCCCCO 2230a_102515433106_100000766640 [0,1,0,0,0,0|2,0,1]=4 2868 B14R0.393 CCCC(C)NCCCCCCCCO 270004a_102515433106_100000211909 [0,1,0,0,0,0|2,0,1]=4 2869 B14R0.393 CCCC(C)NCCCCCCCCO 34a_102515433106_100000766640 [0,1,0,0,0,0|2,0,1]=4 2870 B14R0.393 CCCC(C)OCCCCCCCCBr 34a_100009813846_100000766640 [0,1,0,0,0,0|1,0,1]=3 2871 B14R0.393 CCCC(C)OCCCCCCCCBr 7a_100009813846_100000766640 [0,1,0,0,0,0|1,0,1]=3 2872 B14R0.393 CCCC(C)OCCCCCCCCCl 34a_100000033203_100000766640 [0,1,0,0,0,0|1,0,1]=3 2873 B14R0.393 CCCC(C)OCCCCCCCCCl 7a_100000033203_100000766640 [0,1,0,0,0,0|1,0,1]=3 2874 B14R0.393 CCCC(C)OCCCCCCCCN 34a_102515433106_100000766640 [0,1,0,0,0,0|1,0,1]=3 2875 B14R0.393 CCCC(C)OCCCCCCCCO 34a_100000764384_100000033203 [0,1,0,0,0,0|1,0,1]=3 2876 B14R0.393 CCCC(C)OCCCCCCCCO 7a_100000764384_100000033203 [0,1,0,0,0,0|1,0,1]=3 2877 B14R0.393 CCCC(C)OCCCCCNCCN 34a_103619048469_100000766640 [0,1,0,0,0,0|2,0,1]=4 2878 B14R0.393 CCCC(C)OCCCOCCCOC 34a_200011215475_100000766640 [0,1,0,0,0,0|2,0,1]=4 2879 B14R0.393 CCCC(C)OCCCOCCCOC 7a_200011215475_100000766640 [0,1,0,0,0,0|2,0,1]=4 2880 B14R0.393 CCCC(C)SCCCCCCCCO 62a_100000033203_100000766640 [0,1,0,0,0,0|1,1,1]=4 2881 B14R0.393 CCCC(C)SCCCCCCCCO 62a_100000766640_100000033203 [0,1,0,0,0,0|1,1,1]=4 2882 B14R0.393 CCCC/C=C/COCOC(=O)CCC 34a_200016272032_100000034017 [0,1,0,0,0,0|0,0,2]=3 2883 B14R0.393 CCCC/C=C\CCOCC(=O)CCC 7a_200016286491_100000747444 [0,1,0,0,0,0|0,0,2]=3 2884 B14R0.393 CCCC/C=C\CCOCC(=O)NCC 34a_200016286491_100000183381 [0,1,0,0,0,0|1,0,2]=4 2885 B14R0.393 CCCC/C=C\CCOCC(=O)NCC 7a_200016286491_100000183381 [0,1,0,0,0,0|1,0,2]=4 2886 B14R0.393 CCCC/C=C\CCOCC(=O)OCC 34a_200016286491_100000188475 [0,1,0,0,0,0|1,0,2]=4 2887 B14R0.393 CCCC/C=C\CCOCC(=O)OCC 7a_200016286491_100000188475 [0,1,0,0,0,0|1,0,2]=4 2888 B14R0.393 CCCCC#CCCCOC(C)CCC 34a_100000764384_200000047210 [0,1,0,0,0,0|1,0,2]=4 2889 B14R0.393 CCCCC#CCCCOC(C)CCC 7a_100000764384_200000047210 [0,1,0,0,0,0|1,0,2]=4 2890 B14R0.393 CCCCC#CCCOCC(=O)CCC 7a_100000037610_100000747444 [0,1,0,0,0,0|0,0,2]=3 2891 B14R0.393 CCCCC#CCCOCC(=O)NCC 34a_100000037610_100000183381 [0,1,0,0,0,0|1,0,2]=4 2892 B14R0.393 CCCCC#CCCOCC(=O)NCC 7a_100000037610_100000183381 [0,1,0,0,0,0|1,0,2]=4 2893 B14R0.393 CCCCC#CCCOCC(=O)OCC 34a_100000037610_100000188475 [0,1,0,0,0,0|1,0,2]=4 2894 B14R0.393 CCCCC#CCCOCC(=O)OCC 7a_100000037610_100000188475 [0,1,0,0,0,0|1,0,2]=4 2895 B14R0.393 CCCCC#CCOCOC(=O)CCC 34a_200000034558_100000034017 [0,1,0,0,0,0|0,0,2]=3 2896 B14R0.393 CCCCC/C=C/COCC(=O)CCC 7a_100016258190_100000747444 [0,1,0,0,0,0|0,0,2]=3 2897 B14R0.393 CCCCC/C=C/COCC(=O)NCC 34a_100016258190_100000183381 [0,1,0,0,0,0|1,0,2]=4 2898 B14R0.393 CCCCC/C=C/COCC(=O)NCC 7a_100016258190_100000183381 [0,1,0,0,0,0|1,0,2]=4 2899 B14R0.393 CCCCC/C=C/COCC(=O)OCC 34a_100016258190_100000188475 [0,1,0,0,0,0|1,0,2]=4 2900 B14R0.393 CCCCC/C=C/COCC(=O)OCC 7a_100016258190_100000188475 [0,1,0,0,0,0|1,0,2]=4 2901 B14R0.393 CCCCC/C=C\CCOC(C)CCC 34a_100016277358_100000766640 [0,1,0,0,0,0|1,0,2]=4 2902 B14R0.393 CCCCC/C=C\CCOC(C)CCC 7a_100016277358_100000766640 [0,1,0,0,0,0|1,0,2]=4 2903 B14R0.393 CCCCCC#CCCOC(C)CCC 34a_200000042877_100000766640 [0,1,0,0,0,0|1,0,2]=4 2904 B14R0.393 CCCCCC#CCCOC(C)CCC 7a_200000042877_100000766640 [0,1,0,0,0,0|1,0,2]=4 2905 B14R0.393 CCCCCC#CCOCC(=O)CCC 7a_200000033628_100000747444 [0,1,0,0,0,0|0,0,2]=3 2906 B14R0.393 CCCCCC#CCOCC(=O)NCC 34a_200000033628_100000183381 [0,1,0,0,0,0|1,0,2]=4 2907 B14R0.393 CCCCCC#CCOCC(=O)NCC 7a_200000033628_100000183381 [0,1,0,0,0,0|1,0,2]=4 2908 B14R0.393 CCCCCC#CCOCC(=O)OCC 34a_200000033628_100000188475 [0,1,0,0,0,0|1,0,2]=4 2909 B14R0.393 CCCCCC#CCOCC(=O)OCC 7a_200000033628_100000188475 [0,1,0,0,0,0|1,0,2]=4 2910 B14R0.393 CCCCCC#CCSCC(=O)CCC 62a_100000747444_100009816472 [0,1,0,0,0,0|0,1,2]=4 2911 B14R0.393 CCCCCC#CCSCC(=O)CCC 62a_100009816472_100000747444 [0,1,0,0,0,0|0,1,2]=4 2912 B14R0.393 CCCCCC/C=C/COC(C)CCC 34a_200016276170_100000766640 [0,1,0,0,0,0|1,0,2]=4 2913 B14R0.393 CCCCCC/C=C/COC(C)CCC 7a_200016276170_100000766640 [0,1,0,0,0,0|1,0,2]=4 2914 B14R0.393 CCCCCCC#CCOC(C)CCC 34a_200000037284_100000766640 [0,1,0,0,0,0|1,0,2]=4 2915 B14R0.393 CCCCCCC#CCOC(C)CCC 7a_200000037284_100000766640 [0,1,0,0,0,0|1,0,2]=4 2916 B14R0.393 CCCCCCCC=NNC(=O)CCC 4a_100000189770_100000210592 [0,1,0,0,0,0|1,0,1]=3 2917 B14R0.393 CCCCCCCC=NNC(=O)COC 4a_100000216845_100000210592 [0,1,0,0,0,0|2,0,1]=4 2918 B14R0.393 CCCCCCCCC=CC(=O)CC#N 1458a_100015345288_100011214920 [0,1,0,0,0,0|2,0,1]=4 2919 B14R0.393 CCCCCCCCC=CC(=O)CCC 1458a_100015345288_100000210303 [0,1,0,0,0,0|1,0,0]=2 2920 B14R0.393 CCCCCCCCC=CC(=O)CCF 1458a_100015345288_100011217306 [0,1,0,0,0,0|2,0,0]=3 2921 B14R0.393 CCCCCCCCC=CC(=O)CCO 1458a_100015345288_100000211926 [0,1,0,0,0,0|2,0,0]=3 2922 B14R0.393 CCCCCCCCC=CC(=O)NCC 11a_100015525214_100015345288 [0,1,0,0,0,0|2,0,0]=3 2923 B14R0.393 CCCCCCCCC=CC(=O)NCC 240690a_100015525214_100015345288 [0,1,0,0,0,0|2,0,0]=3 2924 B14R0.393 CCCCCCCCC=CC(=O)NNC 22a_100016993582_100015345288 [0,1,0,0,0,0|3,0,0]=4 2925 B14R0.393 CCCCCCCCCCC(=O)CC#N 1458a_100000210375_100011214920 [0,1,0,0,0,0|2,0,1]=4 2926 B14R0.393 CCCCCCCCCCC(=O)CC#N 1458a_100051588842_100000210319 [0,1,0,0,0,0|2,0,1]=4 2927 B14R0.393 CCCCCCCCCCC(=O)CCC 1458a_100000210375_100000210303 [0,1,0,0,0,0|1,0,0]=2 2928 B14R0.393 CCCCCCCCCCC(=O)CCC 1458a_100000211992_100000210319 [0,1,0,0,0,0|1,0,0]=2 2929 B14R0.393 CCCCCCCCCCC(=O)CCF 1458a_100000210375_100011217306 [0,1,0,0,0,0|2,0,0]=3 2930 B14R0.393 CCCCCCCCCCC(=O)CCO 1458a_100000210375_100000211926 [0,1,0,0,0,0|2,0,0]=3 2931 B14R0.393 CCCCCCCCCCC(=O)CCO 1458a_100011216618_100000210319 [0,1,0,0,0,0|2,0,0]=3 2932 B14R0.393 CCCCCCCCCCC(=O)COC 1458a_100000210968_100000210319 [0,1,0,0,0,0|2,0,0]=3 2933 B14R0.393 CCCCCCCCCCC(=O)CSC 1458a_100000184570_100000210319 [0,1,0,0,0,0|2,0,0]=3 2934 B14R0.393 CCCCCCCCCCC(=O)NCC 11a_100015525214_100000210375 [0,1,0,0,0,0|2,0,0]=3 2935 B14R0.393 CCCCCCCCCCC(=O)NCC 240690a_100015525214_100000210375 [0,1,0,0,0,0|2,0,0]=3 2936 B14R0.393 CCCCCCCCCCC(=O)NNC 22a_100016993582_100000210375 [0,1,0,0,0,0|3,0,0]=4 2937 B14R0.393 CCCCCCCCCCN(C)CCC 2230a_100000207566_100000210303 [0,1,0,0,0,0|3,0,0]=4 2938 B14R0.393 CCCCCCCCCCN(C)CCC 2230a_100000747261_100000210320 [0,1,0,0,0,0|3,0,0]=4 2939 B14R0.393 CCCCCCCCCCN(C)CCC 269982a_100000207566_100000210303 [0,1,0,0,0,0|3,0,0]=4 2940 B14R0.393 CCCCCCCCCCN(C)CCC 269982a_100000747261_100000210320 [0,1,0,0,0,0|3,0,0]=4 2941 B14R0.393 CCCCCCCCCNC(=O)CC#N 1626a_100000212291_100051588842 [0,1,0,0,0,0|2,0,1]=4 2942 B14R0.393 CCCCCCCCCNC(=O)CC#N 240690a_100000212291_100051588842 [0,1,0,0,0,0|2,0,1]=4 2943 B14R0.393 CCCCCCCCCNC(=O)CCC 11a_100000212291_100000211992 [0,1,0,0,0,0|1,0,0]=2 2944 B14R0.393 CCCCCCCCCNC(=O)CCC 1626a_100000212291_100000211992 [0,1,0,0,0,0|1,0,0]=2 2945 B14R0.393 CCCCCCCCCNC(=O)CCC 240690a_100000212291_100000211992 [0,1,0,0,0,0|1,0,0]=2 2946 B14R0.393 CCCCCCCCCNC(=O)CCC 527a_100000212291_100000211992 [0,1,0,0,0,0|1,0,0]=2 2947 B14R0.393 CCCCCCCCCNC(=O)CCO 240690a_100000212291_100011216618 [0,1,0,0,0,0|2,0,0]=3 2948 B14R0.393 CCCCCCCCCNC(=O)COC 11a_100000212291_100000210968 [0,1,0,0,0,0|2,0,0]=3 2949 B14R0.393 CCCCCCCCCNC(=O)COC 1626a_100000212291_100000210968 [0,1,0,0,0,0|2,0,0]=3 2950 B14R0.393 CCCCCCCCCNC(=O)COC 240690a_100000212291_100000210968 [0,1,0,0,0,0|2,0,0]=3 2951 B14R0.393 CCCCCCCCCNC(=O)COC 527a_100000212291_100000210968 [0,1,0,0,0,0|2,0,0]=3 2952 B14R0.393 CCCCCCCCCNC(=O)CSC 11a_100000212291_100000184570 [0,1,0,0,0,0|2,0,0]=3 2953 B14R0.393 CCCCCCCCCNC(=O)CSC 1626a_100000212291_100000184570 [0,1,0,0,0,0|2,0,0]=3 2954 B14R0.393 CCCCCCCCCNC(=O)CSC 240690a_100000212291_100000184570 [0,1,0,0,0,0|2,0,0]=3 2955 B14R0.393 CCCCCCCCCNC(=O)CSC 527a_100000212291_100000184570 [0,1,0,0,0,0|2,0,0]=3 2956 B14R0.393 CCCCCCCCCNC(=O)NCC 2708a_100000212291_100015525214 [0,1,0,0,0,0|2,0,0]=3 2957 B14R0.393 CCCCCCCCCNC(=O)NCC 2708a_100015525214_100000212291 [0,1,0,0,0,0|2,0,0]=3 2958 B14R0.393 CCCCCCCCCNC(=O)NCC 273464a_100000212291_100015525214 [0,1,0,0,0,0|2,0,0]=3 2959 B14R0.393 CCCCCCCCCNC(=O)NCC 273464a_100015525214_100000212291 [0,1,0,0,0,0|2,0,0]=3 2960 B14R0.393 CCCCCCCCCNC(=O)NCC 512a_100000212291_100015525214 [0,1,0,0,0,0|2,0,0]=3 2961 B14R0.393 CCCCCCCCCNC(=O)NCC 512a_100015525214_100000212291 [0,1,0,0,0,0|2,0,0]=3 2962 B14R0.393 CCCCCCCCCNC(=O)NNC 273464a_100000212291_100016993582 [0,1,0,0,0,0|3,0,0]=4 2963 B14R0.393 CCCCCCCCCNC(=O)NNC 512a_100000212291_100016993582 [0,1,0,0,0,0|3,0,0]=4 2964 B14R0.393 CCCCCCCCCNC(=O)NNC 512a_100016993582_100000212291 [0,1,0,0,0,0|3,0,0]=4 2965 B14R0.393 CCCCCCCCCNC(C)CCC 2230a_100000212291_100000766640 [0,1,0,0,0,0|2,0,1]=4 2966 B14R0.393 CCCCCCCCCNC(C)CCC 2230a_100000741246_100011214924 [0,1,0,0,0,0|2,0,1]=4 2967 B14R0.393 CCCCCCCCCNC(C)CCC 270004a_100000212291_100000211909 [0,1,0,0,0,0|2,0,1]=4 2968 B14R0.393 CCCCCCCCCNC(C)CCC 34a_100000212291_100000766640 [0,1,0,0,0,0|2,0,1]=4 2969 B14R0.393 CCCCCCCCCOC(C)CCBr 34a_100012276601_100011214924 [0,1,0,0,0,0|2,0,1]=4 2970 B14R0.393 CCCCCCCCCOC(C)CCC 34a_100000210712_100000766640 [0,1,0,0,0,0|1,0,1]=3 2971 B14R0.393 CCCCCCCCCOC(C)CCC 34a_100000764384_100011214924 [0,1,0,0,0,0|1,0,1]=3 2972 B14R0.393 CCCCCCCCCOC(C)CCC 7a_100000210712_100000766640 [0,1,0,0,0,0|1,0,1]=3 2973 B14R0.393 CCCCCCCCCOC(C)CCC 7a_100000764384_100000210328 [0,1,0,0,0,0|1,0,1]=3 2974 B14R0.393 CCCCCCCCCOC(C)CCO 34a_100000210712_100009893172 [0,1,0,0,0,0|2,0,1]=4 2975 B14R0.393 CCCCCCCCCOC(C)CCO 7a_100000210712_100009893172 [0,1,0,0,0,0|2,0,1]=4 2976 B14R0.393 CCCCCCCCCOC(C)COC 34a_100000210712_100000765312 [0,1,0,0,0,0|2,0,1]=4 2977 B14R0.393 CCCCCCCCCOC(C)COC 7a_100000210712_100000765312 [0,1,0,0,0,0|2,0,1]=4 2978 B14R0.393 CCCCCCCCCO[C@H](C)COC 34a_100011934205_100011214924 [0,1,0,0,0,0|2,0,1]=4 2979 B14R0.393 CCCCCCCCCSC(C)CCC 62a_100000766640_100000210670 [0,1,0,0,0,0|1,1,1]=4 2980 B14R0.393 CCCCCCCCNCC(=O)CCC 2230a_100000229939_100000747444 [0,1,0,0,0,0|1,0,0]=2 2981 B14R0.393 CCCCCCCCNCC(=O)NCC 2230a_100000229939_100000183381 [0,1,0,0,0,0|2,0,0]=3 2982 B14R0.393 CCCCCCCCNCC(=O)NCC 2230a_100016988866_100000210759 [0,1,0,0,0,0|2,0,0]=3 2983 B14R0.393 CCCCCCCCNCC(=O)NCC 34a_100000229939_100000183381 [0,1,0,0,0,0|2,0,0]=3 2984 B14R0.393 CCCCCCCCNCC(=O)NCO 2230a_100000229939_100000185155 [0,1,0,0,0,0|3,0,0]=4 2985 B14R0.393 CCCCCCCCNCC(=O)NCO 34a_100000229939_100000185155 [0,1,0,0,0,0|3,0,0]=4 2986 B14R0.393 CCCCCCCCNCC(=O)OCC 2230a_100000229939_100000188475 [0,1,0,0,0,0|2,0,0]=3 2987 B14R0.393 CCCCCCCCNCC(=O)OCC 34a_100000229939_100000188475 [0,1,0,0,0,0|2,0,0]=3 2988 B14R0.393 CCCCCCCCNCC(C)CCC 2230a_100000229939_100011216630 [0,1,0,0,0,0|2,0,1]=4 2989 B14R0.393 CCCCCCCCNCC(C)CCC 270004a_100000229939_100000243154 [0,1,0,0,0,0|2,0,1]=4 2990 B14R0.393 CCCCCCCCNCC(C)CCC 34a_100000229939_100011216630 [0,1,0,0,0,0|2,0,1]=4 2991 B14R0.393 CCCCCCCCOCC(=O)CC#N 1458a_100000759886_100011214920 [0,1,0,0,0,0|1,0,1]=3 2992 B14R0.393 CCCCCCCCOCC(=O)CCC 1458a_100000759886_100000210303 [0,1,0,0,0,0|0,0,0]=1 2993 B14R0.393 CCCCCCCCOCC(=O)CCC 7a_100000210232_100000747444 [0,1,0,0,0,0|0,0,0]=1 2994 B14R0.393 CCCCCCCCOCC(=O)CCF 1458a_100000759886_100011217306 [0,1,0,0,0,0|1,0,0]=2 2995 B14R0.393 CCCCCCCCOCC(=O)CCO 1458a_100000759886_100000211926 [0,1,0,0,0,0|1,0,0]=2 2996 B14R0.393 CCCCCCCCOCC(=O)NCC 11a_100015525214_100000759886 [0,1,0,0,0,0|1,0,0]=2 2997 B14R0.393 CCCCCCCCOCC(=O)NCC 240690a_100015525214_100000759886 [0,1,0,0,0,0|1,0,0]=2 2998 B14R0.393 CCCCCCCCOCC(=O)NCC 34a_100000210232_100000183381 [0,1,0,0,0,0|1,0,0]=2 2999 B14R0.393 CCCCCCCCOCC(=O)NCC 527a_100015525214_100000759886 [0,1,0,0,0,0|1,0,0]=2 3000 B14R0.393 CCCCCCCCOCC(=O)NCC 7a_100000210232_100000183381 [0,1,0,0,0,0|1,0,0]=2 3001 B14R0.393 CCCCCCCCOCC(=O)NCO 34a_100000210232_100000185155 [0,1,0,0,0,0|2,0,0]=3 3002 B14R0.393 CCCCCCCCOCC(=O)NCO 7a_100000210232_100000185155 [0,1,0,0,0,0|2,0,0]=3 3003 B14R0.393 CCCCCCCCOCC(=O)NNC 22a_100016993582_100000759886 [0,1,0,0,0,0|2,0,0]=3 3004 B14R0.393 CCCCCCCCOCC(=O)OCC 34a_100000210232_100000188475 [0,1,0,0,0,0|1,0,0]=2 3005 B14R0.393 CCCCCCCCOCC(=O)OCC 7a_100000210232_100000188475 [0,1,0,0,0,0|1,0,0]=2 3006 B14R0.393 CCCCCCCCOCC(C)CCC 34a_100000210232_100011216630 [0,1,0,0,0,0|1,0,1]=3 3007 B14R0.393 CCCCCCCCOCC(C)CCC 34a_100000688023_100000210759 [0,1,0,0,0,0|1,0,1]=3 3008 B14R0.393 CCCCCCCCOCC(C)CCC 7a_100000210232_100011216630 [0,1,0,0,0,0|1,0,1]=3 3009 B14R0.393 CCCCCCCCOCC(C)CCC 7a_100000688023_100000210759 [0,1,0,0,0,0|1,0,1]=3 3010 B14R0.393 CCCCCCCCOCC(C)CCN 34a_106354213184_100000210759 [0,1,0,0,0,0|2,0,1]=4 3011 B14R0.393 CCCCCCCCOCC(N)COC 34a_100000724102_100000210759 [0,1,0,0,0,0|2,0,1]=4 3012 B14R0.393 CCCCCCCCOCC(O)COC 34a_100000210232_100011215053 [0,1,0,0,0,0|1,0,2]=4 3013 B14R0.393 CCCCCCCCOCC(O)COC 7a_100000210232_100011215053 [0,1,0,0,0,0|1,0,2]=4 3014 B14R0.393 CCCCCCCCOC[C@@H](N)CCC 34a_100000732646_100000210759 [0,1,0,0,0,0|1,0,1]=3 3015 B14R0.393 CCCCCCCCSCC(=O)CCC 62a_100000210759_100000747444 [0,1,0,0,0,0|0,1,0]=2 3016 B14R0.393 CCCCCCCCSCC(=O)CCC 62a_100000747444_100000210317 [0,1,0,0,0,0|0,1,0]=2 3017 B14R0.393 CCCCCCCCSCC(=O)NCC 62a_100000183381_100000210317 [0,1,0,0,0,0|1,1,0]=3 3018 B14R0.393 CCCCCCCCSCC(=O)NCC 62a_100000210759_100000183381 [0,1,0,0,0,0|1,1,0]=3 3019 B14R0.393 CCCCCCCCSCC(=O)NCO 62a_100000185155_100000210317 [0,1,0,0,0,0|2,1,0]=4 3020 B14R0.393 CCCCCCCCSCC(=O)NCO 62a_100000210759_100000185155 [0,1,0,0,0,0|2,1,0]=4 3021 B14R0.393 CCCCCCCCSCC(=O)OCC 62a_100000188475_100000210317 [0,1,0,0,0,0|1,1,0]=3 3022 B14R0.393 CCCCCCCCSCC(=O)OCC 62a_100000210759_100000188475 [0,1,0,0,0,0|1,1,0]=3 3023 B14R0.393 CCCCCCCCSCC(C)CCC 62a_100000210759_100011216630 [0,1,0,0,0,0|1,1,1]=4 3024 B14R0.393 CCCCCCCCSCC(C)CCC 62a_100011216630_100000210317 [0,1,0,0,0,0|1,1,1]=4 3025 B14R0.393 CCCCCCCNCCC(=O)NCC 2230a_100000229938_100000737597 [0,1,0,0,0,0|2,0,0]=3 3026 B14R0.393 CCCCCCCNCCC(=O)NCC 34a_100025743525_100000210614 [0,1,0,0,0,0|2,0,0]=3 3027 B14R0.393 CCCCCCCNCCC(=O)OCC 2230a_100000229938_100011206558 [0,1,0,0,0,0|2,0,0]=3 3028 B14R0.393 CCCCCCCNCOC(=O)CCC 2230a_100000229938_100000034017 [0,1,0,0,0,0|0,0,0]=1 3029 B14R0.393 CCCCCCCOCCC(=O)NCC 7a_100000210272_100000737597 [0,1,0,0,0,0|2,0,0]=3 3030 B14R0.393 CCCCCCCOCCC(=O)OCC 34a_100000210272_100000765890 [0,1,0,0,0,0|2,0,0]=3 3031 B14R0.393 CCCCCCCOCCC(=O)OCC 7a_100000210272_100011206558 [0,1,0,0,0,0|2,0,0]=3 3032 B14R0.393 CCCCCCCOCCC(C)CCC 34a_100011217855_100000210614 [0,1,0,0,0,0|2,0,1]=4 3033 B14R0.393 CCCCCCCOCCC(C)CCC 7a_100011217855_100000210614 [0,1,0,0,0,0|2,0,1]=4 3034 B14R0.393 CCCCCCCOCC[C@@H](N)CCC 34a_100015193777_100000210614 [0,1,0,0,0,0|2,0,1]=4 3035 B14R0.393 CCCCCCCOCOC(=O)CCC 34a_100000210272_100000034017 [0,1,0,0,0,0|0,0,0]=1 3036 B14R0.393 CCCCCCCSCCC(=O)NCC 62a_100000210614_100000737597 [0,1,0,0,0,0|2,0,0]=3 3037 B14R0.393 CCCCCCCSCCC(=O)NCC 62a_100000737597_100000210316 [0,1,0,0,0,0|2,0,0]=3 3038 B14R0.393 CCCCCCCSCCC(=O)OCC 62a_100000210614_100000765890 [0,1,0,0,0,0|2,0,0]=3 3039 B14R0.393 CCCCCCCSCCC(=O)OCC 62a_100000765890_100000210316 [0,1,0,0,0,0|2,0,0]=3 3040 B14R0.393 CCCCCCCSCOC(=O)CCC 62a_100000210614_100000034017 [0,1,0,0,0,0|0,0,0]=1 3041 B14R0.393 CCCCCCCSCOC(=O)OCC 62a_100000210614_100000075025 [0,1,0,0,0,0|1,0,0]=2 3042 B14R0.393 CCCCCCNC/C=C/C(=O)OCC 2230a_100000210581_100016267167 [0,1,0,0,0,0|2,0,1]=4 3043 B14R0.393 CCCCCCNCCCC(=O)OCC 2230a_100000210581_100009991533 [0,1,0,0,0,0|2,0,0]=3 3044 B14R0.393 CCCCCCOC/C=C/C(=O)OCC 34a_100000210259_100016267167 [0,1,0,0,0,0|2,0,1]=4 3045 B14R0.393 CCCCCCOC/C=C/C(=O)OCC 7a_100000210259_100016267167 [0,1,0,0,0,0|2,0,1]=4 3046 B14R0.393 CCCCCCOCCCC(=O)OCC 34a_100000210259_100009991533 [0,1,0,0,0,0|2,0,0]=3 3047 B14R0.393 CCCCCCOCCCC(=O)OCC 7a_100000210259_100011215271 [0,1,0,0,0,0|2,0,0]=3 3048 B14R0.393 CCCCCCOCCCC(=O)OCC 7a_100012001163_100000210314 [0,1,0,0,0,0|2,0,0]=3 3049 B14R0.393 CCCCCCOCCCC(C)CCC 34a_100011713154_100000210314 [0,1,0,0,0,0|2,0,1]=4 3050 B14R0.393 CCCCCCOCCCC(C)CCC 7a_100011713154_100000210314 [0,1,0,0,0,0|2,0,1]=4 3051 B14R0.393 CCCCCCOCCNC(=O)OCC 34a_100000158857_100000210314 [0,1,0,0,0,0|2,0,0]=3 3052 B14R0.393 CCCCCCOCCNC(=O)OCC 7a_100000210259_200011445536 [0,1,0,0,0,0|2,0,0]=3 3053 B14R0.393 CCCCCCOCCOC(C)CCC 34a_100000691444_100000766640 [0,1,0,0,0,0|1,0,1]=3 3054 B14R0.393 CCCCCCOCCOC(C)CCC 7a_100000691444_100000766640 [0,1,0,0,0,0|1,0,1]=3 3055 B14R0.393 CCCCCCOCCOC(C)CCO 34a_100000691444_100009893172 [0,1,0,0,0,0|2,0,1]=4 3056 B14R0.393 CCCCCCOCCOC(C)CCO 7a_100000691444_100009893172 [0,1,0,0,0,0|2,0,1]=4 3057 B14R0.393 CCCCCCOCCOC(C)COC 34a_100000691444_100000765312 [0,1,0,0,0,0|2,0,1]=4 3058 B14R0.393 CCCCCCOCCOC(C)COC 7a_100000691444_100000765312 [0,1,0,0,0,0|2,0,1]=4 3059 B14R0.393 CCCCCCSC/C=C/C(=O)OCC 62a_100000210314_100016267167 [0,1,0,0,0,0|2,0,1]=4 3060 B14R0.393 CCCCCCSC/C=C/C(=O)OCC 62a_100016267167_100000210757 [0,1,0,0,0,0|2,0,1]=4 3061 B14R0.393 CCCCCCSCCCC(=O)OCC 62a_100000210314_100009991533 [0,1,0,0,0,0|2,0,0]=3 3062 B14R0.393 CCCCCCSCCCC(=O)OCC 62a_100009991533_100000210757 [0,1,0,0,0,0|2,0,0]=3 3063 B14R0.393 CCCCCCSCCNC(=O)OCC 62a_100000210314_200011445536 [0,1,0,0,0,0|2,0,0]=3 3064 B14R0.393 CCCCCNCCCCC(=O)OCC 2230a_100000209983_100000750268 [0,1,0,0,0,0|2,0,0]=3 3065 B14R0.393 CCCCCNCCOCC(=O)NCC 34a_100000224656_100000183381 [0,1,0,0,0,0|2,0,0]=3 3066 B14R0.393 CCCCCNCCOCC(=O)NCO 34a_100000224656_100000185155 [0,1,0,0,0,0|3,0,0]=4 3067 B14R0.393 CCCCCNCCOCC(=O)OCC 2230a_100000209983_100000088970 [0,1,0,0,0,0|2,0,0]=3 3068 B14R0.393 CCCCCNCCOCC(=O)OCC 34a_100000224656_100000188475 [0,1,0,0,0,0|2,0,0]=3 3069 B14R0.393 CCCCCNCCOCC(C)CCC 34a_100000224656_100011216630 [0,1,0,0,0,0|2,0,1]=4 3070 B14R0.393 CCCCCOCCCCC(=O)OCC 34a_100000210253_100000750268 [0,1,0,0,0,0|2,0,0]=3 3071 B14R0.393 CCCCCOCCCCC(=O)OCC 7a_100000210253_100000750268 [0,1,0,0,0,0|2,0,0]=3 3072 B14R0.393 CCCCCOCCOCC(=O)CCC 7a_100011215259_100000747444 [0,1,0,0,0,0|1,0,0]=2 3073 B14R0.393 CCCCCOCCOCC(=O)NCC 34a_100011215259_100000183381 [0,1,0,0,0,0|2,0,0]=3 3074 B14R0.393 CCCCCOCCOCC(=O)NCC 7a_100011215259_100000183381 [0,1,0,0,0,0|2,0,0]=3 3075 B14R0.393 CCCCCOCCOCC(=O)NCO 34a_100011215259_100000185155 [0,1,0,0,0,0|3,0,0]=4 3076 B14R0.393 CCCCCOCCOCC(=O)NCO 7a_100011215259_100000185155 [0,1,0,0,0,0|3,0,0]=4 3077 B14R0.393 CCCCCOCCOCC(=O)OCC 34a_100000210253_100000088970 [0,1,0,0,0,0|2,0,0]=3 3078 B14R0.393 CCCCCOCCOCC(=O)OCC 34a_100011215259_100000188475 [0,1,0,0,0,0|2,0,0]=3 3079 B14R0.393 CCCCCOCCOCC(=O)OCC 7a_100000210253_100000088970 [0,1,0,0,0,0|2,0,0]=3 3080 B14R0.393 CCCCCOCCOCC(=O)OCC 7a_100011215259_100000188475 [0,1,0,0,0,0|2,0,0]=3 3081 B14R0.393 CCCCCOCCOCC(C)CCC 34a_100011215259_100011216630 [0,1,0,0,0,0|2,0,1]=4 3082 B14R0.393 CCCCCOCCOCC(C)CCC 7a_100011215259_100011216630 [0,1,0,0,0,0|2,0,1]=4 3083 B14R0.393 CCCCCOCCSCC(=O)OCC 7a_200000230590_100000210326 [0,1,0,0,0,0|2,1,0]=4 3084 B14R0.393 CCCCCSCCCCC(=O)OCC 62a_100000210326_100000750268 [0,1,0,0,0,0|2,0,0]=3 3085 B14R0.393 CCCCCSCCCCC(=O)OCC 62a_100000750268_100000210326 [0,1,0,0,0,0|2,0,0]=3 3086 B14R0.393 CCCCCSCCOCC(=O)OCC 62a_100000088970_100000210326 [0,1,0,0,0,0|2,0,0]=3 3087 B14R0.393 CCCCCSCCOCC(=O)OCC 62a_100000210326_100000088970 [0,1,0,0,0,0|2,0,0]=3 3088 B14R0.393 CCCCNCCCCCC(=O)OCC 2230a_100000102301_100000755133 [0,1,0,0,0,0|2,0,0]=3 3089 B14R0.393 CCCCNCCCCCC(=O)OCC 7a_106832991798_100000755133 [0,1,0,0,0,0|2,0,0]=3 3090 B14R0.393 CCCCNCCCCOC(C)CCC 34a_200011216965_100000766640 [0,1,0,0,0,0|1,0,1]=3 3091 B14R0.393 CCCCNCCCCOC(C)CCO 34a_200011216965_100009893172 [0,1,0,0,0,0|2,0,1]=4 3092 B14R0.393 CCCCNCCCCOC(C)COC 34a_200011216965_100000765312 [0,1,0,0,0,0|2,0,1]=4 3093 B14R0.393 CCCCNCCCOCC(=O)OCC 2230a_100000102301_100009893628 [0,1,0,0,0,0|2,0,0]=3 3094 B14R0.393 CCCCNCCCOCC(=O)OCC 7a_106832991798_100009893628 [0,1,0,0,0,0|2,0,0]=3 3095 B14R0.393 CCCCOCCCCCC(=O)OCC 34a_100000210227_100000755133 [0,1,0,0,0,0|2,0,0]=3 3096 B14R0.393 CCCCOCCCCCC(=O)OCC 7a_100000210227_100000755133 [0,1,0,0,0,0|2,0,0]=3 3097 B14R0.393 CCCCOCCCCCC(=O)OCC 7a_100011214988_100000210211 [0,1,0,0,0,0|2,0,0]=3 3098 B14R0.393 CCCCOCCCCOC(C)CCC 34a_200000760531_100000766640 [0,1,0,0,0,0|1,0,1]=3 3099 B14R0.393 CCCCOCCCCOC(C)CCC 7a_200000760531_100000766640 [0,1,0,0,0,0|1,0,1]=3 3100 B14R0.393 CCCCOCCCCOC(C)CCO 34a_200000760531_100009893172 [0,1,0,0,0,0|2,0,1]=4 3101 B14R0.393 CCCCOCCCCOC(C)CCO 7a_200000760531_100009893172 [0,1,0,0,0,0|2,0,1]=4 3102 B14R0.393 CCCCOCCCCOC(C)COC 34a_200000760531_100000765312 [0,1,0,0,0,0|2,0,1]=4 3103 B14R0.393 CCCCOCCCCOC(C)COC 7a_200000760531_100000765312 [0,1,0,0,0,0|2,0,1]=4 3104 B14R0.393 CCCCOCCCNCC(=O)CCC 2230a_200000211371_100000747444 [0,1,0,0,0,0|2,0,0]=3 3105 B14R0.393 CCCCOCCCNCC(=O)NCC 2230a_200000211371_100000183381 [0,1,0,0,0,0|3,0,0]=4 3106 B14R0.393 CCCCOCCCNCC(=O)NCC 34a_200000211371_100000183381 [0,1,0,0,0,0|3,0,0]=4 3107 B14R0.393 CCCCOCCCNCC(=O)OCC 2230a_200000211371_100000188475 [0,1,0,0,0,0|3,0,0]=4 3108 B14R0.393 CCCCOCCCNCC(=O)OCC 34a_200000211371_100000188475 [0,1,0,0,0,0|3,0,0]=4 3109 B14R0.393 CCCCOCCCOCC(=O)CCC 7a_200011215613_100000747444 [0,1,0,0,0,0|1,0,0]=2 3110 B14R0.393 CCCCOCCCOCC(=O)NCC 34a_200011215613_100000183381 [0,1,0,0,0,0|2,0,0]=3 3111 B14R0.393 CCCCOCCCOCC(=O)NCC 7a_200011215613_100000183381 [0,1,0,0,0,0|2,0,0]=3 3112 B14R0.393 CCCCOCCCOCC(=O)NCO 34a_200011215613_100000185155 [0,1,0,0,0,0|3,0,0]=4 3113 B14R0.393 CCCCOCCCOCC(=O)NCO 7a_200011215613_100000185155 [0,1,0,0,0,0|3,0,0]=4 3114 B14R0.393 CCCCOCCCOCC(=O)OCC 34a_100000210227_100009893628 [0,1,0,0,0,0|2,0,0]=3 3115 B14R0.393 CCCCOCCCOCC(=O)OCC 34a_200011215613_100000188475 [0,1,0,0,0,0|2,0,0]=3 3116 B14R0.393 CCCCOCCCOCC(=O)OCC 7a_100000210227_100009893628 [0,1,0,0,0,0|2,0,0]=3 3117 B14R0.393 CCCCOCCCOCC(=O)OCC 7a_200011215613_100000188475 [0,1,0,0,0,0|2,0,0]=3 3118 B14R0.393 CCCCOCCCOCC(C)CCC 34a_200011215613_100011216630 [0,1,0,0,0,0|2,0,1]=4 3119 B14R0.393 CCCCOCCCOCC(C)CCC 7a_200011215613_100011216630 [0,1,0,0,0,0|2,0,1]=4 3120 B14R0.393 CCCCOCCNCCC(=O)NCC 34a_100025743525_100000743108 [0,1,0,0,0,0|3,0,0]=4 3121 B14R0.393 CCCCOCCOCCC(=O)NCC 7a_100000210238_100000737597 [0,1,0,0,0,0|3,0,0]=4 3122 B14R0.393 CCCCOCCOCCC(=O)OCC 34a_100000210238_100000765890 [0,1,0,0,0,0|3,0,0]=4 3123 B14R0.393 CCCCOCCOCCC(=O)OCC 7a_100000210238_100011206558 [0,1,0,0,0,0|3,0,0]=4 3124 B14R0.393 CCCCOCCOCOC(=O)CCC 34a_100000210238_100000034017 [0,1,0,0,0,0|1,0,0]=2 3125 B14R0.393 CCCCOCCSCCC(=O)NCC 62a_100000737597_100000743108 [0,1,0,0,0,0|3,0,0]=4 3126 B14R0.393 CCCCOCCSCCC(=O)NCC 62a_100000743108_100000737597 [0,1,0,0,0,0|3,0,0]=4 3127 B14R0.393 CCCCOCCSCCC(=O)OCC 62a_100000743108_100000765890 [0,1,0,0,0,0|3,0,0]=4 3128 B14R0.393 CCCCOCCSCCC(=O)OCC 62a_100000765890_100000743108 [0,1,0,0,0,0|3,0,0]=4 3129 B14R0.393 CCCCOCCSCOC(=O)CCC 62a_100000743108_100000034017 [0,1,0,0,0,0|1,0,0]=2 3130 B14R0.393 CCCCOCCSCOC(=O)OCC 62a_100000743108_100000075025 [0,1,0,0,0,0|2,0,0]=3 3131 B14R0.393 CCCCOCOCCNC(=O)OCC 34a_100000158857_100011995733 [0,1,0,0,0,0|3,0,0]=4 3132 B14R0.393 CCCCOCSCCCC(=O)OCC 62a_100009991533_100011995733 [0,1,0,0,0,0|3,0,0]=4 3133 B14R0.393 CCCCOCSCCCC(=O)OCC 62a_100011995733_100009991533 [0,1,0,0,0,0|3,0,0]=4 3134 B14R0.393 CCCCOCSCCNC(=O)OCC 62a_100011995733_200011445536 [0,1,0,0,0,0|3,0,0]=4 3135 B14R0.393 CCCCSCCCCCC(=O)OCC 62a_100000210211_100000755133 [0,1,0,0,0,0|2,0,0]=3 3136 B14R0.393 CCCCSCCCCCC(=O)OCC 62a_100000755133_100000210210 [0,1,0,0,0,0|2,0,0]=3 3137 B14R0.393 CCCCSCCCOCC(=O)OCC 62a_100000210211_100009893628 [0,1,0,0,0,0|2,0,0]=3 3138 B14R0.393 CCCCSCCCOCC(=O)OCC 62a_100009893628_100000210210 [0,1,0,0,0,0|2,0,0]=3 3139 B14R0.393 CCCCSCCNCCC(=O)NCC 2230a_100025743550_100000737597 [0,1,0,0,0,0|3,0,0]=4 3140 B14R0.393 CCCCSCCNCCC(=O)OCC 2230a_100025743550_100011206558 [0,1,0,0,0,0|3,0,0]=4 3141 B14R0.393 CCCCSCCNCOC(=O)CCC 2230a_100025743550_100000034017 [0,1,0,0,0,0|1,0,0]=2 3142 B14R0.393 CCCCSCCOCCC(=O)NCC 7a_200000230436_100000737597 [0,1,0,0,0,0|3,0,0]=4 3143 B14R0.393 CCCCSCCOCCC(=O)OCC 34a_200000230436_100000765890 [0,1,0,0,0,0|3,0,0]=4 3144 B14R0.393 CCCCSCCOCCC(=O)OCC 7a_200000230436_100011206558 [0,1,0,0,0,0|3,0,0]=4 3145 B14R0.393 CCCCSCCOCOC(=O)CCC 34a_200000230436_100000034017 [0,1,0,0,0,0|1,0,0]=2 3146 B14R0.393 CCCN(C)CCCCCCCCCO 2230a_100000747261_100009813782 [0,1,0,0,0,0|3,0,0]=4 3147 B14R0.393 CCCN(C)CCCCCCCCCO 269982a_100000747261_100009813782 [0,1,0,0,0,0|3,0,0]=4 3148 B14R0.393 CCCOCCCCCCC(=O)OCC 34a_100000210258_100009814379 [0,1,0,0,0,0|2,0,0]=3 3149 B14R0.393 CCCOCCCNCCC(=O)NCC 2230a_100011217757_100000737597 [0,1,0,0,0,0|3,0,0]=4 3150 B14R0.393 CCCOCCCNCCC(=O)OCC 2230a_100011217757_100011206558 [0,1,0,0,0,0|3,0,0]=4 3151 B14R0.393 CCCOCCCNCCC(=O)OCC 34a_100011217757_100000765890 [0,1,0,0,0,0|3,0,0]=4 3152 B14R0.393 CCCOCCCNCOC(=O)CCC 2230a_100011217757_100000034017 [0,1,0,0,0,0|1,0,0]=2 3153 B14R0.393 CCCOCCCNCOC(=O)CCC 34a_100011217757_100000034017 [0,1,0,0,0,0|1,0,0]=2 3154 B14R0.393 CCCOCCNCCCC(=O)OCC 2230a_100161115042_100009991533 [0,1,0,0,0,0|3,0,0]=4 3155 B14R0.393 CCCOCCNCCCC(=O)OCC 34a_100161115042_100009991533 [0,1,0,0,0,0|3,0,0]=4 3156 B14R0.393 CCCOCCOCCCC(=O)OCC 34a_100000752267_100009991533 [0,1,0,0,0,0|3,0,0]=4 3157 B14R0.393 CCCOCCOCCCC(=O)OCC 7a_100000752267_100011215271 [0,1,0,0,0,0|3,0,0]=4 3158 B14R0.393 CCCOCCOCCCC(=O)OCC 7a_100012001163_100011215938 [0,1,0,0,0,0|3,0,0]=4 3159 B14R0.393 CCCOCCOCCNC(=O)CCC 11a_200011904461_100000211992 [0,1,0,0,0,0|2,0,0]=3 3160 B14R0.393 CCCOCCOCCNC(=O)CCC 1626a_200011904461_100000211992 [0,1,0,0,0,0|2,0,0]=3 3161 B14R0.393 CCCOCCOCCNC(=O)CCC 240690a_200011904461_100000211992 [0,1,0,0,0,0|2,0,0]=3 3162 B14R0.393 CCCOCCOCCNC(=O)CCO 240690a_200011904461_100011216618 [0,1,0,0,0,0|3,0,0]=4 3163 B14R0.393 CCCOCCOCCNC(=O)COC 11a_200011904461_100000210968 [0,1,0,0,0,0|3,0,0]=4 3164 B14R0.393 CCCOCCOCCNC(=O)COC 1626a_200011904461_100000210968 [0,1,0,0,0,0|3,0,0]=4 3165 B14R0.393 CCCOCCOCCNC(=O)COC 240690a_200011904461_100000210968 [0,1,0,0,0,0|3,0,0]=4 3166 B14R0.393 CCCOCCOCCNC(=O)CSC 11a_200011904461_100000184570 [0,1,0,0,0,0|3,0,0]=4 3167 B14R0.393 CCCOCCOCCNC(=O)CSC 1626a_200011904461_100000184570 [0,1,0,0,0,0|3,0,0]=4 3168 B14R0.393 CCCOCCOCCNC(=O)CSC 240690a_200011904461_100000184570 [0,1,0,0,0,0|3,0,0]=4 3169 B14R0.393 CCCOCCOCCNC(=O)NCC 2708a_100015525214_200011904461 [0,1,0,0,0,0|3,0,0]=4 3170 B14R0.393 CCCOCCOCCNC(=O)NCC 2708a_200011904461_100015525214 [0,1,0,0,0,0|3,0,0]=4 3171 B14R0.393 CCCOCCOCCNC(=O)NCC 273464a_100015525214_200011904461 [0,1,0,0,0,0|3,0,0]=4 3172 B14R0.393 CCCOCCOCCNC(=O)NCC 273464a_200011904461_100015525214 [0,1,0,0,0,0|3,0,0]=4 3173 B14R0.393 CCCOCCOCCNC(=O)NCC 512a_200011904461_100015525214 [0,1,0,0,0,0|3,0,0]=4 3174 B14R0.393 CCCOCCOCCNC(=O)OCC 34a_100000158857_100011215938 [0,1,0,0,0,0|3,0,0]=4 3175 B14R0.393 CCCOCCOCCNC(=O)OCC 7a_100000752267_200011445536 [0,1,0,0,0,0|3,0,0]=4 3176 B14R0.393 CCCOCCSCCCC(=O)OCC 62a_100009991533_100011215938 [0,1,0,0,0,0|3,0,0]=4 3177 B14R0.393 CCCOCCSCCCC(=O)OCC 62a_100011215938_100009991533 [0,1,0,0,0,0|3,0,0]=4 3178 B14R0.393 CCCOCCSCCNC(=O)OCC 62a_100011215938_200011445536 [0,1,0,0,0,0|3,0,0]=4 3179 B14R0.393 CCCSCCCCCCC(=O)OCC 62a_100000210303_100009814379 [0,1,0,0,0,0|2,0,0]=3 3180 B14R0.393 CCCSCCNCCCC(=O)OCC 2230a_100020603323_100009991533 [0,1,0,0,0,0|3,0,0]=4 3181 B14R0.393 CCCSCCOCCCC(=O)OCC 34a_200000230433_100009991533 [0,1,0,0,0,0|3,0,0]=4 3182 B14R0.393 CCCSCCOCCCC(=O)OCC 7a_200000230433_100011215271 [0,1,0,0,0,0|3,0,0]=4 3183 B14R0.393 CCCSCCOCCNC(=O)OCC 7a_200000230433_200011445536 [0,1,0,0,0,0|3,0,0]=4 3184 B14R0.393 CCC[C@H](N)COCCCCCCCO 34a_100000732646_100000760002 [0,1,0,0,0,0|2,0,1]=4 3185 B14R0.393 CCC[C@H](N)COCCCCCCOC 34a_100000732646_100011998445 [0,1,0,0,0,0|2,0,1]=4 3186 B14R0.393 CCNC(=O)C=CCCCCCCCO 240690a_100015525214_100016988705 [0,1,0,0,0,0|2,0,1]=4 3187 B14R0.393 CCNC(=O)CCCCCCCCCF 11a_100015525214_200009909015 [0,1,0,0,0,0|2,0,0]=3 3188 B14R0.393 CCNC(=O)CCCCCCCCCF 240690a_100015525214_200009909015 [0,1,0,0,0,0|2,0,0]=3 3189 B14R0.393 CCNC(=O)CCCCCCCCCF 527a_100015525214_200009909015 [0,1,0,0,0,0|2,0,0]=3 3190 B14R0.393 CCNC(=O)CCCCCCCCCO 240690a_100015525214_100000032657 [0,1,0,0,0,0|2,0,0]=3 3191 B14R0.393 CCNC(=O)CCNCCCCCCF 34a_100025743525_100015922095 [0,1,0,0,0,0|3,0,0]=4 3192 B14R0.393 CCNC(=O)CCNCCCCCCO 2230a_100000686447_100000737597 [0,1,0,0,0,0|3,0,0]=4 3193 B14R0.393 CCNC(=O)CCNCCCCCCO 34a_100025743525_100000766143 [0,1,0,0,0,0|3,0,0]=4 3194 B14R0.393 CCNC(=O)CCNCCCCCOC 2230a_100000747528_100000737597 [0,1,0,0,0,0|3,0,0]=4 3195 B14R0.393 CCNC(=O)CCOCCCCCCBr 7a_100011215345_100000737597 [0,1,0,0,0,0|3,0,0]=4 3196 B14R0.393 CCNC(=O)CCOCCCCCCCl 7a_100000766143_100000737597 [0,1,0,0,0,0|3,0,0]=4 3197 B14R0.393 CCNC(=O)CCOCCCCCCF 7a_100000732779_100000737597 [0,1,0,0,0,0|3,0,0]=4 3198 B14R0.393 CCNC(=O)CCSCCCCCCF 62a_100000737597_100015922095 [0,1,0,0,0,0|3,0,0]=4 3199 B14R0.393 CCNC(=O)CCSCCCCCCF 62a_100015922095_100000737597 [0,1,0,0,0,0|3,0,0]=4 3200 B14R0.393 CCNC(=O)CCSCCCCCCO 62a_100000737597_100000766143 [0,1,0,0,0,0|3,0,0]=4 3201 B14R0.393 CCNC(=O)CCSCCCCCCO 62a_100000766143_100000737597 [0,1,0,0,0,0|3,0,0]=4 3202 B14R0.393 CCNC(=O)CNCCCCCCCO 2230a_100011996573_100000183381 [0,1,0,0,0,0|3,0,0]=4 3203 B14R0.393 CCNC(=O)CNCCCCCCCO 2230a_100016988866_100000760002 [0,1,0,0,0,0|3,0,0]=4 3204 B14R0.393 CCNC(=O)CNCCCCCCCO 34a_100011996573_100000183381 [0,1,0,0,0,0|3,0,0]=4 3205 B14R0.393 CCNC(=O)CNCCCCCCOC 2230a_100016988866_100011998445 [0,1,0,0,0,0|3,0,0]=4 3206 B14R0.393 CCNC(=O)COCCCCCCCBr 34a_100000760002_100000183381 [0,1,0,0,0,0|2,0,0]=3 3207 B14R0.393 CCNC(=O)COCCCCCCCBr 7a_100000760002_100000183381 [0,1,0,0,0,0|2,0,0]=3 3208 B14R0.393 CCNC(=O)COCCCCCCCN 34a_100011996573_100000183381 [0,1,0,0,0,0|2,0,0]=3 3209 B14R0.393 CCNC(=O)COCCCCCCOC 34a_200012092642_100000183381 [0,1,0,0,0,0|2,0,0]=3 3210 B14R0.393 CCNC(=O)COCCCCCCOC 7a_200012092642_100000183381 [0,1,0,0,0,0|2,0,0]=3 3211 B14R0.393 CCNC(=O)COCCCOCCCN 34a_100011310245_100000183381 [0,1,0,0,0,0|3,0,0]=4 3212 B14R0.393 CCNC(=O)COCCOCCOCC 34a_100000210240_100000183381 [0,1,0,0,0,0|3,0,0]=4 3213 B14R0.393 CCNC(=O)COCCOCCOCC 7a_100000210240_100000183381 [0,1,0,0,0,0|3,0,0]=4 3214 B14R0.393 CCNC(=O)CSCCCCCCCO 62a_100000183381_100000760002 [0,1,0,0,0,0|2,1,0]=4 3215 B14R0.393 CCNC(=O)CSCCCCCCCO 62a_100000760002_100000183381 [0,1,0,0,0,0|2,1,0]=4 3216 B14R0.393 CCNC(=O)CSCCCCCCOC 62a_100000183381_100011998445 [0,1,0,0,0,0|2,1,0]=4 3217 B14R0.393 CCNC(=O)CSCCCCCCOC 62a_100011998445_100000183381 [0,1,0,0,0,0|2,1,0]=4 3218 B14R0.393 CCNC(=O)NCCCCCCCCO 2708a_100015525214_102515433106 [0,1,0,0,0,0|2,0,0]=3 3219 B14R0.393 CCNC(=O)NCCCCCCCCO 2708a_102515433106_100015525214 [0,1,0,0,0,0|2,0,0]=3 3220 B14R0.393 CCNC(=O)NCCCCCCCCO 273464a_100015525214_102515433106 [0,1,0,0,0,0|2,0,0]=3 3221 B14R0.393 CCNC(=O)NCCCCCCCCO 273464a_102515433106_100015525214 [0,1,0,0,0,0|2,0,0]=3 3222 B14R0.393 CCNC(=O)NCCCCCCCCO 512a_100015525214_102515433106 [0,1,0,0,0,0|2,0,0]=3 3223 B14R0.393 CCNC(=O)NCCCCCCCCO 512a_102515433106_100015525214 [0,1,0,0,0,0|2,0,0]=3 3224 B14R0.393 CCNCCCCCCCC(=O)OCC 2230a_100015525214_100009991516 [0,1,0,0,0,0|2,0,0]=3 3225 B14R0.393 CCOC(=O)CCCCCCCCNC 2230a_106832991635_100010175975 [0,1,0,0,0,0|2,0,0]=3 3226 B14R0.393 CCOC(=O)CCCCCCCCNC 34a_100102657272_100010175975 [0,1,0,0,0,0|2,0,0]=3 3227 B14R0.393 CCOC(=O)CCCCCCCCNC 7a_106832991635_100010175975 [0,1,0,0,0,0|2,0,0]=3 3228 B14R0.393 CCOC(=O)CCCCCCCCOC 34a_100138415774_100010175975 [0,1,0,0,0,0|2,0,0]=3 3229 B14R0.393 CCOC(=O)CCCCCCCCSC 62a_200000210301_100010175975 [0,1,0,0,0,0|2,0,0]=3 3230 B14R0.393 CCOC(=O)CCCCCCCCS[13CH3] 62a_200025704644_100010175975 [0,1,0,0,0,0|2,0,0]=3 3231 B14R0.393 CCOC(=O)CCCCCCCSCC 62a_100000210202_100009991516 [0,1,0,0,0,0|2,0,0]=3 3232 B14R0.393 CCOC(=O)CCCCCCCSCF 62a_100015361967_100009991516 [0,1,0,0,0,0|3,0,0]=4 3233 B14R0.393 CCOC(=O)CCCCCCNCCF 34a_100000724931_100009814379 [0,1,0,0,0,0|3,0,0]=4 3234 B14R0.393 CCOC(=O)CCCCCCNCCO 2230a_100016997473_100009814379 [0,1,0,0,0,0|3,0,0]=4 3235 B14R0.393 CCOC(=O)CCCCCCNCCO 34a_100016990907_100009814379 [0,1,0,0,0,0|3,0,0]=4 3236 B14R0.393 CCOC(=O)CCCCCCOCCBr 34a_100000211926_100009814379 [0,1,0,0,0,0|3,0,0]=4 3237 B14R0.393 CCOC(=O)CCCCCCOCCN 34a_100000210304_100009814379 [0,1,0,0,0,0|3,0,0]=4 3238 B14R0.393 CCOC(=O)CCCCCCSCCF 62a_100011217306_100009814379 [0,1,0,0,0,0|3,0,0]=4 3239 B14R0.393 CCOC(=O)CCCCCCSCCO 62a_100000211926_100009814379 [0,1,0,0,0,0|3,0,0]=4 3240 B14R0.393 CCOC(=O)CCCCCCSCOC 62a_100000766300_100009814379 [0,1,0,0,0,0|3,0,0]=4 3241 B14R0.393 CCOC(=O)CCCCCCSCSC 62a_100011218213_100009814379 [0,1,0,0,0,0|3,0,0]=4 3242 B14R0.393 CCOC(=O)CCCCCNCCCF 2230a_100015189416_100000755133 [0,1,0,0,0,0|3,0,0]=4 3243 B14R0.393 CCOC(=O)CCCCCNCCCF 34a_100015189416_100000755133 [0,1,0,0,0,0|3,0,0]=4 3244 B14R0.393 CCOC(=O)CCCCCNCCOC 2230a_100000209980_100000755133 [0,1,0,0,0,0|3,0,0]=4 3245 B14R0.393 CCOC(=O)CCCCCNCCSC 2230a_100020590264_100000755133 [0,1,0,0,0,0|3,0,0]=4 3246 B14R0.393 CCOC(=O)CCCCCOCCCBr 34a_100011217188_100000755133 [0,1,0,0,0,0|3,0,0]=4 3247 B14R0.393 CCOC(=O)CCCCCOCCCCl 34a_100000230001_100000755133 [0,1,0,0,0,0|3,0,0]=4 3248 B14R0.393 CCOC(=O)CCCCCOCCCF 34a_100000759539_100000755133 [0,1,0,0,0,0|3,0,0]=4 3249 B14R0.393 CCOC(=O)CCCCCOCCCF 7a_100011214988_100011934791 [0,1,0,0,0,0|3,0,0]=4 3250 B14R0.393 CCOC(=O)CCCCCOCCCN 34a_100000182051_100000755133 [0,1,0,0,0,0|3,0,0]=4 3251 B14R0.393 CCOC(=O)CCCCCOCCCO 7a_100011214988_100011215043 [0,1,0,0,0,0|3,0,0]=4 3252 B14R0.393 CCOC(=O)CCCCCOCCOC 34a_100000210237_100000755133 [0,1,0,0,0,0|3,0,0]=4 3253 B14R0.393 CCOC(=O)CCCCCOCCOC 7a_100011214988_100000233755 [0,1,0,0,0,0|3,0,0]=4 3254 B14R0.393 CCOC(=O)CCCCCOCCSC 34a_100000230434_100000755133 [0,1,0,0,0,0|3,0,0]=4 3255 B14R0.393 CCOC(=O)CCCCCOCCSC 7a_100000230434_100000755133 [0,1,0,0,0,0|3,0,0]=4 3256 B14R0.393 CCOC(=O)CCCCCOCCSC 7a_100011214988_100000212216 [0,1,0,0,0,0|3,0,0]=4 3257 B14R0.393 CCOC(=O)CCCCCSCCCF 62a_100000755133_100011934791 [0,1,0,0,0,0|3,0,0]=4 3258 B14R0.393 CCOC(=O)CCCCCSCCCF 62a_100011934791_100000755133 [0,1,0,0,0,0|3,0,0]=4 3259 B14R0.393 CCOC(=O)CCCCCSCCCO 62a_100000755133_100011215043 [0,1,0,0,0,0|3,0,0]=4 3260 B14R0.393 CCOC(=O)CCCCCSCCCO 62a_100011215043_100000755133 [0,1,0,0,0,0|3,0,0]=4 3261 B14R0.393 CCOC(=O)CCCCCSCCOC 62a_100000233755_100000755133 [0,1,0,0,0,0|3,0,0]=4 3262 B14R0.393 CCOC(=O)CCCCCSCCOC 62a_100000755133_100000233755 [0,1,0,0,0,0|3,0,0]=4 3263 B14R0.393 CCOC(=O)CCCCCSCCSC 62a_100000212216_100000755133 [0,1,0,0,0,0|3,0,0]=4 3264 B14R0.393 CCOC(=O)CCCCCSCCSC 62a_100000755133_100000751147 [0,1,0,0,0,0|3,0,0]=4 3265 B14R0.393 CCOC(=O)CCCCNCCCCO 2230a_100000750430_100000750268 [0,1,0,0,0,0|3,0,0]=4 3266 B14R0.393 CCOC(=O)CCCCNCCCCO 34a_100000750430_100000750268 [0,1,0,0,0,0|3,0,0]=4 3267 B14R0.393 CCOC(=O)CCCCNCCCOC 34a_100150723488_100000750268 [0,1,0,0,0,0|3,0,0]=4 3268 B14R0.393 CCOC(=O)CCCCNCCCSC 2230a_100000749238_100000750268 [0,1,0,0,0,0|3,0,0]=4 3269 B14R0.393 CCOC(=O)CCCCNCCSCC 2230a_100000106463_100000750268 [0,1,0,0,0,0|3,0,0]=4 3270 B14R0.393 CCOC(=O)CCCCOCCCCBr 34a_100011216708_100000750268 [0,1,0,0,0,0|3,0,0]=4 3271 B14R0.393 CCOC(=O)CCCCOCCCCCl 34a_100000210776_100000750268 [0,1,0,0,0,0|3,0,0]=4 3272 B14R0.393 CCOC(=O)CCCCOCCCCCl 7a_100000210776_100000750268 [0,1,0,0,0,0|3,0,0]=4 3273 B14R0.393 CCOC(=O)CCCCOCCCCF 34a_100011995726_100000750268 [0,1,0,0,0,0|3,0,0]=4 3274 B14R0.393 CCOC(=O)CCCCOCCCCF 7a_100011995726_100000750268 [0,1,0,0,0,0|3,0,0]=4 3275 B14R0.393 CCOC(=O)CCCCOCCCCI 34a_200012148704_100000750268 [0,1,0,0,0,0|3,0,0]=4 3276 B14R0.393 CCOC(=O)CCCCOCCCCN 34a_100000750430_100000750268 [0,1,0,0,0,0|3,0,0]=4 3277 B14R0.393 CCOC(=O)CCCCOCCCNC 34a_100000213112_100000750268 [0,1,0,0,0,0|3,0,0]=4 3278 B14R0.393 CCOC(=O)CCCCOCCCOC 34a_100000740835_100000750268 [0,1,0,0,0,0|3,0,0]=4 3279 B14R0.393 CCOC(=O)CCCCOCCCSC 34a_100000690336_100000750268 [0,1,0,0,0,0|3,0,0]=4 3280 B14R0.393 CCOC(=O)CCCCOCCCSC 7a_100000690336_100000750268 [0,1,0,0,0,0|3,0,0]=4 3281 B14R0.393 CCOC(=O)CCCCOCCSCC 34a_100000212035_100000750268 [0,1,0,0,0,0|3,0,0]=4 3282 B14R0.393 CCOC(=O)CCCCOCCSCC 7a_100000212035_100000750268 [0,1,0,0,0,0|3,0,0]=4 3283 B14R0.393 CCOC(=O)CCCCSCCCCF 62a_100000729493_100000750268 [0,1,0,0,0,0|3,0,0]=4 3284 B14R0.393 CCOC(=O)CCCCSCCCCF 62a_100000750268_100000729493 [0,1,0,0,0,0|3,0,0]=4 3285 B14R0.393 CCOC(=O)CCCCSCCCCO 62a_100000210776_100000750268 [0,1,0,0,0,0|3,0,0]=4 3286 B14R0.393 CCOC(=O)CCCCSCCCCO 62a_100000750268_100000210776 [0,1,0,0,0,0|3,0,0]=4 3287 B14R0.393 CCOC(=O)CCCCSCCCOC 62a_100000709357_100000750268 [0,1,0,0,0,0|3,0,0]=4 3288 B14R0.393 CCOC(=O)CCCCSCCCOC 62a_100000750268_100000709357 [0,1,0,0,0,0|3,0,0]=4 3289 B14R0.393 CCOC(=O)CCCCSCCSCC 62a_100000750268_100000757381 [0,1,0,0,0,0|3,0,0]=4 3290 B14R0.393 CCOC(=O)CCCCSCCSCC 62a_100000757381_100000750268 [0,1,0,0,0,0|3,0,0]=4 3291 B14R0.393 CCOC(=O)CCCNCCCCCO 2230a_100000762737_100009991533 [0,1,0,0,0,0|3,0,0]=4 3292 B14R0.393 CCOC(=O)CCCNCCCCCO 34a_100000762737_100009991533 [0,1,0,0,0,0|3,0,0]=4 3293 B14R0.393 CCOC(=O)CCCOCCCCCBr 34a_100000746331_100009991533 [0,1,0,0,0,0|3,0,0]=4 3294 B14R0.393 CCOC(=O)CCCOCCCCCBr 7a_100000746331_100011215271 [0,1,0,0,0,0|3,0,0]=4 3295 B14R0.393 CCOC(=O)CCCOCCCCCCl 34a_100000746330_100009991533 [0,1,0,0,0,0|3,0,0]=4 3296 B14R0.393 CCOC(=O)CCCOCCCCCCl 7a_100000746330_100011215271 [0,1,0,0,0,0|3,0,0]=4 3297 B14R0.393 CCOC(=O)CCCOCCCCCF 7a_100012001163_100000729378 [0,1,0,0,0,0|3,0,0]=4 3298 B14R0.393 CCOC(=O)CCCOCCCCCI 34a_200012148887_100009991533 [0,1,0,0,0,0|3,0,0]=4 3299 B14R0.393 CCOC(=O)CCCOCCCCCI 7a_200012148887_100011215271 [0,1,0,0,0,0|3,0,0]=4 3300 B14R0.393 CCOC(=O)CCCOCCCCCN 34a_100000762737_100009991533 [0,1,0,0,0,0|3,0,0]=4 3301 B14R0.393 CCOC(=O)CCCOCCCCCO 7a_100012001163_100000746330 [0,1,0,0,0,0|3,0,0]=4 3302 B14R0.393 CCOC(=O)CCCOCCCCOC 34a_100000740925_100009991533 [0,1,0,0,0,0|3,0,0]=4 3303 B14R0.393 CCOC(=O)CCCOCCCCOC 7a_100012001163_100000730899 [0,1,0,0,0,0|3,0,0]=4 3304 B14R0.393 CCOC(=O)CCCOCCCCSC 34a_100011217163_100009991533 [0,1,0,0,0,0|3,0,0]=4 3305 B14R0.393 CCOC(=O)CCCOCCCCSC 7a_100011217163_100011215271 [0,1,0,0,0,0|3,0,0]=4 3306 B14R0.393 CCOC(=O)CCCOCCCSCC 34a_100011216438_100009991533 [0,1,0,0,0,0|3,0,0]=4 3307 B14R0.393 CCOC(=O)CCCOCCCSCC 7a_100011216438_100011215271 [0,1,0,0,0,0|3,0,0]=4 3308 B14R0.393 CCOC(=O)CCCSCCCCCF 62a_100000729378_100009991533 [0,1,0,0,0,0|3,0,0]=4 3309 B14R0.393 CCOC(=O)CCCSCCCCCF 62a_100009991533_100000729378 [0,1,0,0,0,0|3,0,0]=4 3310 B14R0.393 CCOC(=O)CCCSCCCCCO 62a_100000746330_100009991533 [0,1,0,0,0,0|3,0,0]=4 3311 B14R0.393 CCOC(=O)CCCSCCCCCO 62a_100009991533_100000746330 [0,1,0,0,0,0|3,0,0]=4 3312 B14R0.393 CCOC(=O)CCCSCCCCOC 62a_100000730899_100009991533 [0,1,0,0,0,0|3,0,0]=4 3313 B14R0.393 CCOC(=O)CCCSCCCCOC 62a_100009991533_100000730899 [0,1,0,0,0,0|3,0,0]=4 3314 B14R0.393 CCOC(=O)CCNCCCCCCO 2230a_100000686447_100011206558 [0,1,0,0,0,0|3,0,0]=4 3315 B14R0.393 CCOC(=O)CCNCCCCCCO 34a_100000686447_100000765890 [0,1,0,0,0,0|3,0,0]=4 3316 B14R0.393 CCOC(=O)CCNCCCCCOC 2230a_100000747528_100011206558 [0,1,0,0,0,0|3,0,0]=4 3317 B14R0.393 CCOC(=O)CCNCCCCCOC 34a_100000747528_100000765890 [0,1,0,0,0,0|3,0,0]=4 3318 B14R0.393 CCOC(=O)CCOCCCCCCBr 34a_100011215345_100000765890 [0,1,0,0,0,0|3,0,0]=4 3319 B14R0.393 CCOC(=O)CCOCCCCCCBr 7a_100011215345_100011206558 [0,1,0,0,0,0|3,0,0]=4 3320 B14R0.393 CCOC(=O)CCOCCCCCCCl 34a_100000766143_100000765890 [0,1,0,0,0,0|3,0,0]=4 3321 B14R0.393 CCOC(=O)CCOCCCCCCCl 7a_100000766143_100011206558 [0,1,0,0,0,0|3,0,0]=4 3322 B14R0.393 CCOC(=O)CCOCCCCCCF 34a_100000732779_100000765890 [0,1,0,0,0,0|3,0,0]=4 3323 B14R0.393 CCOC(=O)CCOCCCCCCF 7a_100000732779_100011206558 [0,1,0,0,0,0|3,0,0]=4 3324 B14R0.393 CCOC(=O)CCOCCCCCCN 34a_100000686447_100000765890 [0,1,0,0,0,0|3,0,0]=4 3325 B14R0.393 CCOC(=O)CCOCCCCCNC 34a_100000722520_100000765890 [0,1,0,0,0,0|3,0,0]=4 3326 B14R0.393 CCOC(=O)CCSCCCCCCF 62a_100000765890_100015922095 [0,1,0,0,0,0|3,0,0]=4 3327 B14R0.393 CCOC(=O)CCSCCCCCCF 62a_100015922095_100000765890 [0,1,0,0,0,0|3,0,0]=4 3328 B14R0.393 CCOC(=O)CCSCCCCCCO 62a_100000765890_100000766143 [0,1,0,0,0,0|3,0,0]=4 3329 B14R0.393 CCOC(=O)CCSCCCCCCO 62a_100000766143_100000765890 [0,1,0,0,0,0|3,0,0]=4 3330 B14R0.393 CCOC(=O)CNCCCCCCCO 2230a_100011996573_100000188475 [0,1,0,0,0,0|3,0,0]=4 3331 B14R0.393 CCOC(=O)CNCCCCCCCO 34a_100011996573_100000188475 [0,1,0,0,0,0|3,0,0]=4 3332 B14R0.393 CCOC(=O)COCCCCCCCBr 34a_100000760002_100000188475 [0,1,0,0,0,0|2,0,0]=3 3333 B14R0.393 CCOC(=O)COCCCCCCCBr 7a_100000760002_100000188475 [0,1,0,0,0,0|2,0,0]=3 3334 B14R0.393 CCOC(=O)COCCCCCCCN 34a_100011996573_100000188475 [0,1,0,0,0,0|2,0,0]=3 3335 B14R0.393 CCOC(=O)COCCCCCCOC 34a_200012092642_100000188475 [0,1,0,0,0,0|2,0,0]=3 3336 B14R0.393 CCOC(=O)COCCCCCCOC 7a_200012092642_100000188475 [0,1,0,0,0,0|2,0,0]=3 3337 B14R0.393 CCOC(=O)COCCCNCCCF 2230a_100015189416_100009893628 [0,1,0,0,0,0|3,0,0]=4 3338 B14R0.393 CCOC(=O)COCCCNCCCF 34a_100015189416_100009893628 [0,1,0,0,0,0|3,0,0]=4 3339 B14R0.393 CCOC(=O)COCCCNCCOC 2230a_100000209980_100009893628 [0,1,0,0,0,0|3,0,0]=4 3340 B14R0.393 CCOC(=O)COCCCNCCSC 2230a_100020590264_100009893628 [0,1,0,0,0,0|3,0,0]=4 3341 B14R0.393 CCOC(=O)COCCCOCCCBr 34a_100011217188_100009893628 [0,1,0,0,0,0|3,0,0]=4 3342 B14R0.393 CCOC(=O)COCCCOCCCCl 34a_100000230001_100009893628 [0,1,0,0,0,0|3,0,0]=4 3343 B14R0.393 CCOC(=O)COCCCOCCCF 34a_100000759539_100009893628 [0,1,0,0,0,0|3,0,0]=4 3344 B14R0.393 CCOC(=O)COCCCOCCCN 34a_100000182051_100009893628 [0,1,0,0,0,0|3,0,0]=4 3345 B14R0.393 CCOC(=O)COCCCOCCCN 34a_100011310245_100000188475 [0,1,0,0,0,0|3,0,0]=4 3346 B14R0.393 CCOC(=O)COCCCOCCOC 34a_100000210237_100009893628 [0,1,0,0,0,0|3,0,0]=4 3347 B14R0.393 CCOC(=O)COCCCOCCSC 34a_100000230434_100009893628 [0,1,0,0,0,0|3,0,0]=4 3348 B14R0.393 CCOC(=O)COCCCOCCSC 7a_100000230434_100009893628 [0,1,0,0,0,0|3,0,0]=4 3349 B14R0.393 CCOC(=O)COCCCSCCCF 62a_100009893628_100011934791 [0,1,0,0,0,0|3,0,0]=4 3350 B14R0.393 CCOC(=O)COCCCSCCCF 62a_100011934791_100009893628 [0,1,0,0,0,0|3,0,0]=4 3351 B14R0.393 CCOC(=O)COCCCSCCCO 62a_100009893628_100011215043 [0,1,0,0,0,0|3,0,0]=4 3352 B14R0.393 CCOC(=O)COCCCSCCCO 62a_100011215043_100009893628 [0,1,0,0,0,0|3,0,0]=4 3353 B14R0.393 CCOC(=O)COCCCSCCOC 62a_100000233755_100009893628 [0,1,0,0,0,0|3,0,0]=4 3354 B14R0.393 CCOC(=O)COCCCSCCOC 62a_100009893628_100000233755 [0,1,0,0,0,0|3,0,0]=4 3355 B14R0.393 CCOC(=O)COCCCSCCSC 62a_100000212216_100009893628 [0,1,0,0,0,0|3,0,0]=4 3356 B14R0.393 CCOC(=O)COCCCSCCSC 62a_100009893628_100000751147 [0,1,0,0,0,0|3,0,0]=4 3357 B14R0.393 CCOC(=O)COCCNCCCCO 2230a_100000750430_100000088970 [0,1,0,0,0,0|3,0,0]=4 3358 B14R0.393 CCOC(=O)COCCNCCCCO 34a_100000750430_100000088970 [0,1,0,0,0,0|3,0,0]=4 3359 B14R0.393 CCOC(=O)COCCNCCCOC 34a_100150723488_100000088970 [0,1,0,0,0,0|3,0,0]=4 3360 B14R0.393 CCOC(=O)COCCNCCCSC 2230a_100000749238_100000088970 [0,1,0,0,0,0|3,0,0]=4 3361 B14R0.393 CCOC(=O)COCCNCCSCC 2230a_100000106463_100000088970 [0,1,0,0,0,0|3,0,0]=4 3362 B14R0.393 CCOC(=O)COCCOCCCCBr 34a_100011216708_100000088970 [0,1,0,0,0,0|3,0,0]=4 3363 B14R0.393 CCOC(=O)COCCOCCCCCl 34a_100000210776_100000088970 [0,1,0,0,0,0|3,0,0]=4 3364 B14R0.393 CCOC(=O)COCCOCCCCCl 7a_100000210776_100000088970 [0,1,0,0,0,0|3,0,0]=4 3365 B14R0.393 CCOC(=O)COCCOCCCCF 34a_100011995726_100000088970 [0,1,0,0,0,0|3,0,0]=4 3366 B14R0.393 CCOC(=O)COCCOCCCCF 7a_100011995726_100000088970 [0,1,0,0,0,0|3,0,0]=4 3367 B14R0.393 CCOC(=O)COCCOCCCCI 34a_200012148704_100000088970 [0,1,0,0,0,0|3,0,0]=4 3368 B14R0.393 CCOC(=O)COCCOCCCCN 34a_100000750430_100000088970 [0,1,0,0,0,0|3,0,0]=4 3369 B14R0.393 CCOC(=O)COCCOCCCNC 34a_100000213112_100000088970 [0,1,0,0,0,0|3,0,0]=4 3370 B14R0.393 CCOC(=O)COCCOCCCOC 34a_100000740835_100000088970 [0,1,0,0,0,0|3,0,0]=4 3371 B14R0.393 CCOC(=O)COCCOCCCSC 34a_100000690336_100000088970 [0,1,0,0,0,0|3,0,0]=4 3372 B14R0.393 CCOC(=O)COCCOCCCSC 7a_100000690336_100000088970 [0,1,0,0,0,0|3,0,0]=4 3373 B14R0.393 CCOC(=O)COCCOCCSCC 34a_100000212035_100000088970 [0,1,0,0,0,0|3,0,0]=4 3374 B14R0.393 CCOC(=O)COCCOCCSCC 7a_100000212035_100000088970 [0,1,0,0,0,0|3,0,0]=4 3375 B14R0.393 CCOC(=O)COCCSCCCCF 62a_100000088970_100000729493 [0,1,0,0,0,0|3,0,0]=4 3376 B14R0.393 CCOC(=O)COCCSCCCCF 62a_100000729493_100000088970 [0,1,0,0,0,0|3,0,0]=4 3377 B14R0.393 CCOC(=O)COCCSCCCCO 62a_100000088970_100000210776 [0,1,0,0,0,0|3,0,0]=4 3378 B14R0.393 CCOC(=O)COCCSCCCCO 62a_100000210776_100000088970 [0,1,0,0,0,0|3,0,0]=4 3379 B14R0.393 CCOC(=O)COCCSCCCOC 62a_100000088970_100000709357 [0,1,0,0,0,0|3,0,0]=4 3380 B14R0.393 CCOC(=O)COCCSCCCOC 62a_100000709357_100000088970 [0,1,0,0,0,0|3,0,0]=4 3381 B14R0.393 CCOC(=O)COCCSCCSCC 62a_100000088970_100000757381 [0,1,0,0,0,0|3,0,0]=4 3382 B14R0.393 CCOC(=O)COCCSCCSCC 62a_100000757381_100000088970 [0,1,0,0,0,0|3,0,0]=4 3383 B14R0.393 CCOC(=O)CSCCCCCCCO 62a_100000188475_100000760002 [0,1,0,0,0,0|2,1,0]=4 3384 B14R0.393 CCOC(=O)CSCCCCCCCO 62a_100000760002_100000188475 [0,1,0,0,0,0|2,1,0]=4 3385 B14R0.393 CCOC(=O)CSCCCCCCOC 62a_100000188475_100011998445 [0,1,0,0,0,0|2,1,0]=4 3386 B14R0.393 CCOC(=O)CSCCCCCCOC 62a_100011998445_100000188475 [0,1,0,0,0,0|2,1,0]=4 3387 B14R0.393 CCOC(=O)NCCOCCCCCBr 7a_100000746331_200011445536 [0,1,0,0,0,0|3,0,0]=4 3388 B14R0.393 CCOC(=O)NCCOCCCCCCl 7a_100000746330_200011445536 [0,1,0,0,0,0|3,0,0]=4 3389 B14R0.393 CCOC(=O)NCCOCCCCCF 34a_100000158857_100000729378 [0,1,0,0,0,0|3,0,0]=4 3390 B14R0.393 CCOC(=O)NCCOCCCCCI 7a_200012148887_200011445536 [0,1,0,0,0,0|3,0,0]=4 3391 B14R0.393 CCOC(=O)NCCOCCCCCO 34a_100000158857_100000746330 [0,1,0,0,0,0|3,0,0]=4 3392 B14R0.393 CCOC(=O)NCCOCCCCOC 34a_100000158857_100000755781 [0,1,0,0,0,0|3,0,0]=4 3393 B14R0.393 CCOC(=O)NCCOCCCCSC 7a_100011217163_200011445536 [0,1,0,0,0,0|3,0,0]=4 3394 B14R0.393 CCOC(=O)NCCOCCCSCC 7a_100011216438_200011445536 [0,1,0,0,0,0|3,0,0]=4 3395 B14R0.393 CCOC(=O)NCCSCCCCCF 62a_100000729378_200011445536 [0,1,0,0,0,0|3,0,0]=4 3396 B14R0.393 CCOC(=O)NCCSCCCCCO 62a_100000746330_200011445536 [0,1,0,0,0,0|3,0,0]=4 3397 B14R0.393 CCOC(=O)NCCSCCCCOC 62a_100000730899_200011445536 [0,1,0,0,0,0|3,0,0]=4 3398 B14R0.393 CCOC(=O)OCSCCCCCC#N 62a_100009813376_100000075025 [0,1,0,0,0,0|2,0,1]=4 3399 B14R0.393 CCOC(=O)OCSCCCCCC=O 62a_100000139337_100000075025 [0,1,0,0,0,0|2,0,1]=4 3400 B14R0.393 CCOC(=O)OCSCCCCCCF 62a_100015922095_100000075025 [0,1,0,0,0,0|2,0,0]=3 3401 B14R0.393 CCOC(=O)OCSCCCCCCO 62a_100000766143_100000075025 [0,1,0,0,0,0|2,0,0]=3 3402 B14R0.393 CCOC(=O)OCSCCOCCOC 62a_100000695917_100000075025 [0,1,0,0,0,0|3,0,0]=4 3403 B14R0.393 CCOCCCCCCCC(=O)OCC 34a_100121572206_100009991516 [0,1,0,0,0,0|2,0,0]=3 3404 B14R0.393 CCOCCCNCCCC(=O)OCC 2230a_100000210961_100009991533 [0,1,0,0,0,0|3,0,0]=4 3405 B14R0.393 CCOCCCNCCCC(=O)OCC 34a_100000210961_100009991533 [0,1,0,0,0,0|3,0,0]=4 3406 B14R0.393 CCOCCCOCCCC(=O)OCC 34a_100000757476_100009991533 [0,1,0,0,0,0|3,0,0]=4 3407 B14R0.393 CCOCCCOCCCC(=O)OCC 7a_100000757476_100011215271 [0,1,0,0,0,0|3,0,0]=4 3408 B14R0.393 CCOCCCOCCCC(=O)OCC 7a_100012001163_100012232248 [0,1,0,0,0,0|3,0,0]=4 3409 B14R0.393 CCOCCCOCCNC(=O)OCC 34a_100000158857_100012232248 [0,1,0,0,0,0|3,0,0]=4 3410 B14R0.393 CCOCCCOCCNC(=O)OCC 7a_100000757476_200011445536 [0,1,0,0,0,0|3,0,0]=4 3411 B14R0.393 CCOCCCSCCCC(=O)OCC 62a_100009991533_100012232248 [0,1,0,0,0,0|3,0,0]=4 3412 B14R0.393 CCOCCCSCCCC(=O)OCC 62a_100012232248_100009991533 [0,1,0,0,0,0|3,0,0]=4 3413 B14R0.393 CCOCCCSCCNC(=O)OCC 62a_100012232248_200011445536 [0,1,0,0,0,0|3,0,0]=4 3414 B14R0.393 CCOCCNCCCCC(=O)OCC 2230a_102516460346_100000750268 [0,1,0,0,0,0|3,0,0]=4 3415 B14R0.393 CCOCCNCCCCC(=O)OCC 34a_102516460346_100000750268 [0,1,0,0,0,0|3,0,0]=4 3416 B14R0.393 CCOCCNCCOCC(=O)OCC 2230a_102516460346_100000088970 [0,1,0,0,0,0|3,0,0]=4 3417 B14R0.393 CCOCCNCCOCC(=O)OCC 34a_102516460346_100000088970 [0,1,0,0,0,0|3,0,0]=4 3418 B14R0.393 CCOCCOCCCCC(=O)OCC 34a_100000210136_100000750268 [0,1,0,0,0,0|3,0,0]=4 3419 B14R0.393 CCOCCOCCCCC(=O)OCC 7a_100000210136_100000750268 [0,1,0,0,0,0|3,0,0]=4 3420 B14R0.393 CCOCCOCCOCC(=O)OCC 34a_100000210136_100000088970 [0,1,0,0,0,0|3,0,0]=4 3421 B14R0.393 CCOCCOCCOCC(=O)OCC 34a_100000210240_100000188475 [0,1,0,0,0,0|3,0,0]=4 3422 B14R0.393 CCOCCOCCOCC(=O)OCC 7a_100000210136_100000088970 [0,1,0,0,0,0|3,0,0]=4 3423 B14R0.393 CCOCCOCCOCC(=O)OCC 7a_100000210240_100000188475 [0,1,0,0,0,0|3,0,0]=4 3424 B14R0.393 CCOCCSCCCCC(=O)OCC 62a_100000210147_100000750268 [0,1,0,0,0,0|3,0,0]=4 3425 B14R0.393 CCOCCSCCCCC(=O)OCC 62a_100000750268_100011215890 [0,1,0,0,0,0|3,0,0]=4 3426 B14R0.393 CCOCCSCCOCC(=O)OCC 62a_100000088970_100011215890 [0,1,0,0,0,0|3,0,0]=4 3427 B14R0.393 CCOCCSCCOCC(=O)OCC 62a_100000210147_100000088970 [0,1,0,0,0,0|3,0,0]=4 3428 B14R0.393 CCOCSCCCCCC(=O)OCC 62a_100000739092_100000755133 [0,1,0,0,0,0|3,0,0]=4 3429 B14R0.393 CCOCSCCCCCC(=O)OCC 62a_100000755133_100000739092 [0,1,0,0,0,0|3,0,0]=4 3430 B14R0.393 CCOCSCCCOCC(=O)OCC 62a_100000739092_100009893628 [0,1,0,0,0,0|3,0,0]=4 3431 B14R0.393 CCOCSCCCOCC(=O)OCC 62a_100009893628_100000739092 [0,1,0,0,0,0|3,0,0]=4 3432 B14R0.393 CNNC(=O)CCCCCCCCCF 22a_100016993582_200009909015 [0,1,0,0,0,0|3,0,0]=4 3433 B14R0.393 CNNC(=O)CCCCCCCCCO 22a_100016993582_100000032657 [0,1,0,0,0,0|3,0,0]=4 3434 B14R0.393 CNNC(=O)NCCCCCCCCO 273464a_102515433106_100016993582 [0,1,0,0,0,0|3,0,0]=4 3435 B14R0.393 CNNC(=O)NCCCCCCCCO 512a_100016993582_102515433106 [0,1,0,0,0,0|3,0,0]=4 3436 B14R0.393 CNNC(=O)NCCCCCCCCO 512a_102515433106_100016993582 [0,1,0,0,0,0|3,0,0]=4 3437 B14R0.393 COCC(=O)CCCCCCCCCO 1458a_100000210968_100009813782 [0,1,0,0,0,0|2,0,0]=3 3438 B14R0.393 COCC(=O)NCCCCCCCCO 240690a_102515433106_100000210968 [0,1,0,0,0,0|2,0,0]=3 3439 B14R0.393 COCC(C)OCCCCCCCCBr 34a_100009813846_100000765312 [0,1,0,0,0,0|2,0,1]=4 3440 B14R0.393 COCC(C)OCCCCCCCCBr 7a_100009813846_100000765312 [0,1,0,0,0,0|2,0,1]=4 3441 B14R0.393 COCC(C)OCCCCCCCCCl 34a_100000033203_100000765312 [0,1,0,0,0,0|2,0,1]=4 3442 B14R0.393 COCC(C)OCCCCCCCCCl 7a_100000033203_100000765312 [0,1,0,0,0,0|2,0,1]=4 3443 B14R0.393 COCC(C)OCCCCCCCCN 34a_102515433106_100000765312 [0,1,0,0,0,0|2,0,1]=4 3444 B14R0.393 COCCCCCCOCC(=O)NCO 34a_200012092642_100000185155 [0,1,0,0,0,0|3,0,0]=4 3445 B14R0.393 COCCCCCCOCC(=O)NCO 7a_200012092642_100000185155 [0,1,0,0,0,0|3,0,0]=4 3446 B14R0.393 COC[C@@H](C)OCCCCCCCCO 34a_100011934205_100000033203 [0,1,0,0,0,0|2,0,1]=4 3447 B14R0.393 CSCC(=O)CCCCCCCCCO 1458a_100000184570_100009813782 [0,1,0,0,0,0|2,0,0]=3 3448 B14R0.393 CSCC(=O)NCCCCCCCCO 240690a_102515433106_100000184570 [0,1,0,0,0,0|2,0,0]=3 3449 B14R0.393 N#CCC(=O)CCCCCCCCCF 1458a_200009909015_100011214920 [0,1,0,0,0,0|2,0,1]=4 3450 B14R0.393 N#CCC(=O)CCCCCCCCCO 1458a_100051588842_100009813782 [0,1,0,0,0,0|2,0,1]=4 3451 B14R0.393 N#CCC(=O)NCCCCCCCCO 240690a_102515433106_100051588842 [0,1,0,0,0,0|2,0,1]=4 3452 B14R0.393 NCCCCCCCOCC(=O)NCO 34a_100011996573_100000185155 [0,1,0,0,0,0|3,0,0]=4 3453 B14R0.393 O=C(CCF)CCCCCCCCCF 1458a_200009909015_100011217306 [0,1,0,0,0,0|2,0,0]=3 3454 B14R0.393 O=C(CCO)CCCCCCCCCF 1458a_200009909015_100000211926 [0,1,0,0,0,0|2,0,0]=3 3455 B14R0.393 O=C(CCO)CCCCCCCCCO 1458a_100011216618_100009813782 [0,1,0,0,0,0|2,0,0]=3 3456 B14R0.393 O=C(CCO)NCCCCCCCCO 240690a_102515433106_100011216618 [0,1,0,0,0,0|2,0,0]=3 3457 B14R0.393 O=C(COCCCCCCCBr)NCO 34a_100000760002_100000185155 [0,1,0,0,0,0|3,0,0]=4 3458 B14R0.393 O=C(COCCCCCCCBr)NCO 7a_100000760002_100000185155 [0,1,0,0,0,0|3,0,0]=4 3459 B14R0.432 C#CCC(=O)NCCCCCCC(C)C 1626a_100000211014_100011220946 [0,1,0,0,0,0|1,0,2]=4 3460 B14R0.432 C#CCC(=O)NCCCCCCC(C)C 527a_100000211014_100011220946 [0,1,0,0,0,0|1,0,2]=4 3461 B14R0.432 C=CCC(=O)NCCCCCCC(C)C 11a_100000211014_100000210193 [0,1,0,0,0,0|1,0,2]=4 3462 B14R0.432 C=CCC(=O)NCCCCCCC(C)C 1626a_100000211014_100000210193 [0,1,0,0,0,0|1,0,2]=4 3463 B14R0.432 C=CCC(=O)NCCCCCCC(C)C 240690a_100000211014_100000210193 [0,1,0,0,0,0|1,0,2]=4 3464 B14R0.432 C=CCC(=O)NCCCCCCC(C)C 527a_100000211014_100000210193 [0,1,0,0,0,0|1,0,2]=4 3465 B14R0.432 CC(C)CCCCCCNC(=O)CC#N 1626a_100000211014_100051588842 [0,1,0,0,0,0|2,0,1]=4 3466 B14R0.432 CC(C)CCCCCCNC(=O)CC#N 240690a_100000211014_100051588842 [0,1,0,0,0,0|2,0,1]=4 3467 B14R0.432 CC(C)CCCCCCNC(=O)CCO 240690a_100000211014_100011216618 [0,1,0,0,0,0|2,0,0]=3 3468 B14R0.432 CC=CC(=O)NCCCCCCC(C)C 11a_100000211014_100000210699 [0,1,0,0,0,0|1,0,2]=4 3469 B14R0.432 CC=CC(=O)NCCCCCCC(C)C 1626a_100000211014_100000210699 [0,1,0,0,0,0|1,0,2]=4 3470 B14R0.432 CC=CC(=O)NCCCCCCC(C)C 240690a_100000211014_100000210699 [0,1,0,0,0,0|1,0,2]=4 3471 B14R0.432 CCCC(=O)CNCCCCCC(C)C 2230a_100011290863_100000747444 [0,1,0,0,0,0|2,0,0]=3 3472 B14R0.432 CCCC(=O)CNCCCOCC(C)C 2230a_100000205972_100000747444 [0,1,0,0,0,0|3,0,0]=4 3473 B14R0.432 CCCC(=O)COCCCCCC(C)C 7a_100011995859_100000747444 [0,1,0,0,0,0|2,0,0]=3 3474 B14R0.432 CCCC(=O)CSCCCCCC(C)C 62a_100000210682_100000747444 [0,1,0,0,0,0|2,0,0]=3 3475 B14R0.432 CCCC(=O)CSCCCCCC(C)C 62a_100000747444_100000210682 [0,1,0,0,0,0|2,0,0]=3 3476 B14R0.432 CCCC(=O)NCCCCCCC(C)C 11a_100000211014_100000211992 [0,1,0,0,0,0|1,0,0]=2 3477 B14R0.432 CCCC(=O)NCCCCCCC(C)C 1626a_100000211014_100000211992 [0,1,0,0,0,0|1,0,0]=2 3478 B14R0.432 CCCC(=O)NCCCCCCC(C)C 240690a_100000211014_100000211992 [0,1,0,0,0,0|1,0,0]=2 3479 B14R0.432 CCCC(=O)NCCCCCCC(C)C 527a_100000211014_100000211992 [0,1,0,0,0,0|1,0,0]=2 3480 B14R0.432 CCCC(=O)NCCCCCCN(C)C 240690a_200011233508_100000211992 [0,1,0,0,0,0|2,0,0]=3 3481 B14R0.432 CCCC(=O)NCCCCCNC(=O)C 1626a_200012022750_100000211992 [0,1,0,0,0,0|2,0,1]=4 3482 B14R0.432 CCCC(=O)NCCCCCNC(=O)C 240690a_200012022750_100000211992 [0,1,0,0,0,0|2,0,1]=4 3483 B14R0.432 CCCC(=O)NCCCCCNC(=O)C 527a_200012022750_100000211992 [0,1,0,0,0,0|2,0,1]=4 3484 B14R0.432 CCCC(=O)OCNCCCCC(=O)N 34a_100000696515_100000034017 [0,1,0,0,0,0|2,0,1]=4 3485 B14R0.432 CCCC(=O)OCNCCCNC(=O)C 34a_100000736810_100000034017 [0,1,0,0,0,0|2,0,1]=4 3486 B14R0.432 CCCC(=O)OCNCCCOC(C)C 2230a_100000737246_100000034017 [0,1,0,0,0,0|2,0,0]=3 3487 B14R0.432 CCCC(=O)OCNCCCOC(C)C 34a_100000737246_100000034017 [0,1,0,0,0,0|2,0,0]=3 3488 B14R0.432 CCCC(=O)OCOCCCCC(=O)N 34a_100012022536_100000034017 [0,1,0,0,0,0|2,0,1]=4 3489 B14R0.432 CCCC(=O)OCOCCCCC(C)C 34a_100011214890_100000034017 [0,1,0,0,0,0|1,0,0]=2 3490 B14R0.432 CCCC(=O)OCOCCCC[N+](=O)[O-] 34a_200015379883_100000034017 [0,1,0,0,0,0|3,0,0]=4 3491 B14R0.432 CCCC(=O)OCOCCCNC(=O)C 34a_100000752032_100000034017 [0,1,0,0,0,0|2,0,1]=4 3492 B14R0.432 CCCC(=O)OCOCCCNC(C)C 34a_100000182298_100000034017 [0,1,0,0,0,0|2,0,0]=3 3493 B14R0.432 CCCC(=O)OCOCCNCC(C)C 34a_100015185251_100000034017 [0,1,0,0,0,0|2,0,0]=3 3494 B14R0.432 CCCC(=O)OCOCCOCC(C)C 34a_100000703358_100000034017 [0,1,0,0,0,0|2,0,0]=3 3495 B14R0.432 CCCC(=O)OCOCCOCC(F)F 34a_100000704375_100000034017 [0,1,0,0,0,0|3,0,0]=4 3496 B14R0.432 CCCC(=O)OCOCCSCC(C)C 34a_200000230437_100000034017 [0,1,0,0,0,0|2,0,0]=3 3497 B14R0.432 CCCC(=O)OCSCCCCB(O)O 62a_200009817182_100000034017 [0,1,0,0,0,0|3,0,0]=4 3498 B14R0.432 CCCC(=O)OCSCCCCC(=O)C 62a_100000735457_100000034017 [0,1,0,0,0,0|1,0,1]=3 3499 B14R0.432 CCCC(=O)OCSCCCCC(C)C 62a_100011216152_100000034017 [0,1,0,0,0,0|1,0,0]=2 3500 B14R0.432 CCCC(=O)OCSCCCOC(=O)C 62a_100000042594_100000034017 [0,1,0,0,0,0|2,0,1]=4 3501 B14R0.432 CCCC(=O)OCSCCCOC(=S)C 62a_200135323944_100000034017 [0,1,0,0,0,0|2,0,1]=4 3502 B14R0.432 CCCC(=O)OCSCCCSC(=O)C 62a_100000038929_100000034017 [0,1,0,0,0,0|2,0,1]=4 3503 B14R0.432 CCCC(=O)OCSCCOCC(F)F 62a_200012177212_100000034017 [0,1,0,0,0,0|3,0,0]=4 3504 B14R0.432 CCCC(C)NCCCCCCC(C)C 2230a_100000211014_100000766640 [0,1,0,0,0,0|2,0,1]=4 3505 B14R0.432 CCCC(C)NCCCCCCC(C)C 270004a_100000211014_100000211909 [0,1,0,0,0,0|2,0,1]=4 3506 B14R0.432 CCCC(C)NCCCCCCC(C)C 34a_100000211014_100000766640 [0,1,0,0,0,0|2,0,1]=4 3507 B14R0.432 CCCC(C)OCCCCCNC(C)C 34a_100011629493_100000766640 [0,1,0,0,0,0|2,0,1]=4 3508 B14R0.432 CCNC(=O)CCNCCCCC(C)C 34a_100025743525_100011216152 [0,1,0,0,0,0|3,0,0]=4 3509 B14R0.432 CCNC(=O)CCOCCCCC(C)C 7a_100011214890_100000737597 [0,1,0,0,0,0|3,0,0]=4 3510 B14R0.432 CCNC(=O)CCSCCCCC(C)C 62a_100000737597_100011216152 [0,1,0,0,0,0|3,0,0]=4 3511 B14R0.432 CCNC(=O)CCSCCCCC(C)C 62a_100011216152_100000737597 [0,1,0,0,0,0|3,0,0]=4 3512 B14R0.432 CCNC(=O)CNCCCCCC(C)C 2230a_100011290863_100000183381 [0,1,0,0,0,0|3,0,0]=4 3513 B14R0.432 CCNC(=O)CNCCCCCC(C)C 2230a_100016988866_100000210682 [0,1,0,0,0,0|3,0,0]=4 3514 B14R0.432 CCNC(=O)CNCCCCCC(C)C 34a_100011290863_100000183381 [0,1,0,0,0,0|3,0,0]=4 3515 B14R0.432 CCNC(=O)COCCCCCC(C)C 34a_100011995859_100000183381 [0,1,0,0,0,0|3,0,0]=4 3516 B14R0.432 CCNC(=O)COCCCCCC(C)C 7a_100011995859_100000183381 [0,1,0,0,0,0|3,0,0]=4 3517 B14R0.432 CCNC(=O)CSCCCCCC(C)C 62a_100000183381_100000210682 [0,1,0,0,0,0|3,0,0]=4 3518 B14R0.432 CCNC(=O)CSCCCCCC(C)C 62a_100000210682_100000183381 [0,1,0,0,0,0|3,0,0]=4 3519 B14R0.432 CCNC(=O)NCCCCCCC(C)C 2708a_100000211014_100015525214 [0,1,0,0,0,0|2,0,0]=3 3520 B14R0.432 CCNC(=O)NCCCCCCC(C)C 2708a_100015525214_100000211014 [0,1,0,0,0,0|2,0,0]=3 3521 B14R0.432 CCNC(=O)NCCCCCCC(C)C 273464a_100000211014_100015525214 [0,1,0,0,0,0|2,0,0]=3 3522 B14R0.432 CCNC(=O)NCCCCCCC(C)C 273464a_100015525214_100000211014 [0,1,0,0,0,0|2,0,0]=3 3523 B14R0.432 CCNC(=O)NCCCCCCC(C)C 512a_100000211014_100015525214 [0,1,0,0,0,0|2,0,0]=3 3524 B14R0.432 CCNC(=O)NCCCCCCC(C)C 512a_100015525214_100000211014 [0,1,0,0,0,0|2,0,0]=3 3525 B14R0.432 CCNC(=O)NCCCCCCN(C)C 2708a_100015525214_200011233508 [0,1,0,0,0,0|3,0,0]=4 3526 B14R0.432 CCNC(=O)NCCCCCCN(C)C 2708a_200011233508_100015525214 [0,1,0,0,0,0|3,0,0]=4 3527 B14R0.432 CCNC(=O)NCCCCCCN(C)C 273464a_100015525214_200011233508 [0,1,0,0,0,0|3,0,0]=4 3528 B14R0.432 CCNC(=O)NCCCCCCN(C)C 273464a_200011233508_100015525214 [0,1,0,0,0,0|3,0,0]=4 3529 B14R0.432 CCNC(=O)NCCCCCCN(C)C 512a_100015525214_200011233508 [0,1,0,0,0,0|3,0,0]=4 3530 B14R0.432 CCNC(=O)NCCCCCCN(C)C 512a_200011233508_100015525214 [0,1,0,0,0,0|3,0,0]=4 3531 B14R0.432 CCOC(=O)CCCCCCCC(=O)C 1458a_100000070787_100009991516 [0,1,0,0,0,0|2,0,1]=4 3532 B14R0.432 CCOC(=O)CCCCCCCN(C)C 2230a_100102631434_100009991516 [0,1,0,0,0,0|3,0,0]=4 3533 B14R0.432 CCOC(=O)CCCCCCCN(C)C 269982a_100102631434_100009991516 [0,1,0,0,0,0|3,0,0]=4 3534 B14R0.432 CCOC(=O)CCCCCCNC(C)C 2230a_100138425928_100009814379 [0,1,0,0,0,0|3,0,0]=4 3535 B14R0.432 CCOC(=O)CCCCCCNC(C)C 34a_100138425928_100009814379 [0,1,0,0,0,0|3,0,0]=4 3536 B14R0.432 CCOC(=O)CCCCCCOC(C)C 34a_100000212225_100009814379 [0,1,0,0,0,0|3,0,0]=4 3537 B14R0.432 CCOC(=O)CCCCCCSC(C)C 62a_100000210206_100009814379 [0,1,0,0,0,0|3,0,0]=4 3538 B14R0.432 CCOC(=O)CCCCCNCC(C)C 2230a_100000210953_100000755133 [0,1,0,0,0,0|3,0,0]=4 3539 B14R0.432 CCOC(=O)CCCCCNCC(C)C 34a_100000210953_100000755133 [0,1,0,0,0,0|3,0,0]=4 3540 B14R0.432 CCOC(=O)CCCCCNCC(C)O 2230a_100000210904_100000755133 [0,1,0,0,0,0|3,0,0]=4 3541 B14R0.432 CCOC(=O)CCCCCNCC(C)O 34a_100000210904_100000755133 [0,1,0,0,0,0|3,0,0]=4 3542 B14R0.432 CCOC(=O)CCCCCOCC(C)Br 34a_100012180447_100000755133 [0,1,0,0,0,0|3,0,0]=4 3543 B14R0.432 CCOC(=O)CCCCCOCC(C)C 34a_100000210257_100000755133 [0,1,0,0,0,0|3,0,0]=4 3544 B14R0.432 CCOC(=O)CCCCCOCC(C)C 7a_100011214988_100000210760 [0,1,0,0,0,0|3,0,0]=4 3545 B14R0.432 CCOC(=O)CCCCCOCC(C)F 34a_100015925927_100000755133 [0,1,0,0,0,0|3,0,0]=4 3546 B14R0.432 CCOC(=O)CCCCCOCC(C)O 7a_100011214988_100011218427 [0,1,0,0,0,0|3,0,0]=4 3547 B14R0.432 CCOC(=O)CCCCCOC[C@@H](C)Cl 34a_100016084084_100000755133 [0,1,0,0,0,0|3,0,0]=4 3548 B14R0.432 CCOC(=O)CCCCCOC[C@@H](C)N 34a_100000737577_100000755133 [0,1,0,0,0,0|3,0,0]=4 3549 B14R0.432 CCOC(=O)CCCCCOC[C@@H](C)O 7a_100011214988_100009817552 [0,1,0,0,0,0|3,0,0]=4 3550 B14R0.432 CCOC(=O)CCCCCSCC(C)C 62a_100000210624_100000755133 [0,1,0,0,0,0|3,0,0]=4 3551 B14R0.432 CCOC(=O)CCCCCSCC(C)C 62a_100000755133_100000210760 [0,1,0,0,0,0|3,0,0]=4 3552 B14R0.432 CCOC(=O)CCCCCSCC(C)O 62a_100000755133_100011218427 [0,1,0,0,0,0|3,0,0]=4 3553 B14R0.432 CCOC(=O)CCCCCSCC(C)O 62a_100011218427_100000755133 [0,1,0,0,0,0|3,0,0]=4 3554 B14R0.432 CCOC(=O)CCCCCSC[C@@H](C)O 62a_100000755133_100009817552 [0,1,0,0,0,0|3,0,0]=4 3555 B14R0.432 CCOC(=O)CCCCCSC[C@@H](C)O 62a_100009817552_100000755133 [0,1,0,0,0,0|3,0,0]=4 3556 B14R0.432 CCOC(=O)CCCCNCCC(C)O 2230a_200000755665_100000750268 [0,1,0,0,0,0|3,0,0]=4 3557 B14R0.432 CCOC(=O)CCCCOCCC(C)Br 34a_100009893172_100000750268 [0,1,0,0,0,0|3,0,0]=4 3558 B14R0.432 CCOC(=O)CCCCOCCC(C)C 34a_100000210254_100000750268 [0,1,0,0,0,0|3,0,0]=4 3559 B14R0.432 CCOC(=O)CCCCOCCC(C)C 7a_100000210254_100000750268 [0,1,0,0,0,0|3,0,0]=4 3560 B14R0.432 CCOC(=O)CCCCOCC[C@@H](C)N 34a_100000706166_100000750268 [0,1,0,0,0,0|3,0,0]=4 3561 B14R0.432 CCOC(=O)CCCCSCCC(C)C 62a_100000210312_100000750268 [0,1,0,0,0,0|3,0,0]=4 3562 B14R0.432 CCOC(=O)CCCCSCCC(C)C 62a_100000750268_100000210312 [0,1,0,0,0,0|3,0,0]=4 3563 B14R0.432 CCOC(=O)CCCCSCCC(C)O 62a_100000750268_100012276601 [0,1,0,0,0,0|3,0,0]=4 3564 B14R0.432 CCOC(=O)CCCCSCCC(C)O 62a_100012276601_100000750268 [0,1,0,0,0,0|3,0,0]=4 3565 B14R0.432 CCOC(=O)CCCNCCCC(C)C 2230a_200000737386_100009991533 [0,1,0,0,0,0|3,0,0]=4 3566 B14R0.432 CCOC(=O)CCCNCCCC(C)C 34a_200000737386_100009991533 [0,1,0,0,0,0|3,0,0]=4 3567 B14R0.432 CCOC(=O)CCCOCCCC(C)C 34a_100000210774_100009991533 [0,1,0,0,0,0|3,0,0]=4 3568 B14R0.432 CCOC(=O)CCCOCCCC(C)C 7a_100000210774_100011215271 [0,1,0,0,0,0|3,0,0]=4 3569 B14R0.432 CCOC(=O)CCCOCCCC(C)C 7a_100012001163_100011214892 [0,1,0,0,0,0|3,0,0]=4 3570 B14R0.432 CCOC(=O)CCCOCCCC(C)O 7a_100012001163_200000718107 [0,1,0,0,0,0|3,0,0]=4 3571 B14R0.432 CCOC(=O)CCCSCCCC(C)C 62a_100009991533_100011214892 [0,1,0,0,0,0|3,0,0]=4 3572 B14R0.432 CCOC(=O)CCCSCCCC(C)C 62a_100011214892_100009991533 [0,1,0,0,0,0|3,0,0]=4 3573 B14R0.432 CCOC(=O)CCCSCCCC(C)O 62a_100009991533_200000718107 [0,1,0,0,0,0|3,0,0]=4 3574 B14R0.432 CCOC(=O)CCCSCCCC(C)O 62a_200000718107_100009991533 [0,1,0,0,0,0|3,0,0]=4 3575 B14R0.432 CCOC(=O)CCOCCCCC(C)C 34a_100011214890_100000765890 [0,1,0,0,0,0|3,0,0]=4 3576 B14R0.432 CCOC(=O)CCOCCCCC(C)C 7a_100011214890_100011206558 [0,1,0,0,0,0|3,0,0]=4 3577 B14R0.432 CCOC(=O)CCSCCCCC(C)C 62a_100000765890_100011216152 [0,1,0,0,0,0|3,0,0]=4 3578 B14R0.432 CCOC(=O)CCSCCCCC(C)C 62a_100011216152_100000765890 [0,1,0,0,0,0|3,0,0]=4 3579 B14R0.432 CCOC(=O)CNCCCCCC(C)C 2230a_100011290863_100000188475 [0,1,0,0,0,0|3,0,0]=4 3580 B14R0.432 CCOC(=O)CNCCCCCC(C)C 34a_100011290863_100000188475 [0,1,0,0,0,0|3,0,0]=4 3581 B14R0.432 CCOC(=O)COCCCCCC(C)C 34a_100011995859_100000188475 [0,1,0,0,0,0|3,0,0]=4 3582 B14R0.432 CCOC(=O)COCCCCCC(C)C 7a_100011995859_100000188475 [0,1,0,0,0,0|3,0,0]=4 3583 B14R0.432 CCOC(=O)CSCCCCCC(C)C 62a_100000188475_100000210682 [0,1,0,0,0,0|3,0,0]=4 3584 B14R0.432 CCOC(=O)CSCCCCCC(C)C 62a_100000210682_100000188475 [0,1,0,0,0,0|3,0,0]=4 3585 B14R0.432 CCOC(=O)NCCOCCCC(C)C 34a_100000158857_100011214892 [0,1,0,0,0,0|3,0,0]=4 3586 B14R0.432 CCOC(=O)NCCOCCCC(C)C 7a_100000210774_200011445536 [0,1,0,0,0,0|3,0,0]=4 3587 B14R0.432 CCOC(=O)NCCOCCCC(C)O 34a_100000158857_200000718107 [0,1,0,0,0,0|3,0,0]=4 3588 B14R0.432 CCOC(=O)NCCSCCCC(C)C 62a_100011214892_200011445536 [0,1,0,0,0,0|3,0,0]=4 3589 B14R0.432 CCOC(=O)NCCSCCCC(C)O 62a_200000718107_200011445536 [0,1,0,0,0,0|3,0,0]=4 3590 B14R0.432 CCOC(=O)OCSCCCCC(=O)C 62a_100000735457_100000075025 [0,1,0,0,0,0|2,0,1]=4 3591 B14R0.432 CCOC(=O)OCSCCCCC(C)C 62a_100011216152_100000075025 [0,1,0,0,0,0|2,0,0]=3 3592 B14R0.432 CN(C)CCCCCCNC(=O)CCO 240690a_200011233508_100011216618 [0,1,0,0,0,0|3,0,0]=4 3593 B14R0.432 CNNC(=O)NCCCCCCC(C)C 273464a_100000211014_100016993582 [0,1,0,0,0,0|3,0,0]=4 3594 B14R0.432 CNNC(=O)NCCCCCCC(C)C 512a_100000211014_100016993582 [0,1,0,0,0,0|3,0,0]=4 3595 B14R0.432 CNNC(=O)NCCCCCCC(C)C 512a_100016993582_100000211014 [0,1,0,0,0,0|3,0,0]=4 3596 B14R0.432 COCC(=O)NCCCCCCC(C)C 11a_100000211014_100000210968 [0,1,0,0,0,0|2,0,0]=3 3597 B14R0.432 COCC(=O)NCCCCCCC(C)C 1626a_100000211014_100000210968 [0,1,0,0,0,0|2,0,0]=3 3598 B14R0.432 COCC(=O)NCCCCCCC(C)C 240690a_100000211014_100000210968 [0,1,0,0,0,0|2,0,0]=3 3599 B14R0.432 COCC(=O)NCCCCCCC(C)C 527a_100000211014_100000210968 [0,1,0,0,0,0|2,0,0]=3 3600 B14R0.432 COCC(=O)NCCCCCCN(C)C 240690a_200011233508_100000210968 [0,1,0,0,0,0|3,0,0]=4 3601 B14R0.432 CSCC(=O)NCCCCCCC(C)C 11a_100000211014_100000184570 [0,1,0,0,0,0|2,0,0]=3 3602 B14R0.432 CSCC(=O)NCCCCCCC(C)C 1626a_100000211014_100000184570 [0,1,0,0,0,0|2,0,0]=3 3603 B14R0.432 CSCC(=O)NCCCCCCC(C)C 240690a_100000211014_100000184570 [0,1,0,0,0,0|2,0,0]=3 3604 B14R0.432 CSCC(=O)NCCCCCCC(C)C 527a_100000211014_100000184570 [0,1,0,0,0,0|2,0,0]=3 3605 B14R0.432 CSCC(=O)NCCCCCCN(C)C 240690a_200011233508_100000184570 [0,1,0,0,0,0|3,0,0]=4 3606 B14R0.493 C#CCCC(=O)C=CCCCCCCC 1458a_200015332781_100000753159 [0,1,0,0,0,0|1,0,2]=4 3607 B14R0.493 C#CCCC(=O)CCCCCCCCC 1458a_100000210558_100000753159 [0,1,0,0,0,0|1,0,1]=3 3608 B14R0.493 C#CCCC(=O)CCCCCCCCC 1458a_100000692101_100000210670 [0,1,0,0,0,0|1,0,1]=3 3609 B14R0.493 C#CCCC(=O)CCCCCCCCO 1458a_100000692101_100000033203 [0,1,0,0,0,0|2,0,1]=4 3610 B14R0.493 C#CCCC(=O)CCOCCCCCC 34a_100011064465_100000210314 [0,1,0,0,0,0|2,0,1]=4 3611 B14R0.493 C#CCCC(=O)CCOCCCCCC 7a_100011064465_100000210314 [0,1,0,0,0,0|2,0,1]=4 3612 B14R0.493 C#CCCC(=O)NCCCCCCCC 11a_100000229939_100000692101 [0,1,0,0,0,0|1,0,1]=3 3613 B14R0.493 C#CCCC(=O)NCCCCCCCC 1626a_100000229939_100000692101 [0,1,0,0,0,0|1,0,1]=3 3614 B14R0.493 C#CCCC(=O)NCCCCCCCC 240690a_100000229939_100000692101 [0,1,0,0,0,0|1,0,1]=3 3615 B14R0.493 C#CCCC(=O)NCCCCCCCC 527a_100000229939_100000692101 [0,1,0,0,0,0|1,0,1]=3 3616 B14R0.493 C#CCCC(=O)NCCCCCCCO 240690a_100011996573_100000692101 [0,1,0,0,0,0|2,0,1]=4 3617 B14R0.493 C#CCCC(=O)NCCCOCCCC 1626a_200000211371_100000692101 [0,1,0,0,0,0|2,0,1]=4 3618 B14R0.493 C#CCCC(=O)NCCCOCCCC 240690a_200000211371_100000692101 [0,1,0,0,0,0|2,0,1]=4 3619 B14R0.493 C#CCCC(=O)NCCCOCCCC 527a_200000211371_100000692101 [0,1,0,0,0,0|2,0,1]=4 3620 B14R0.493 C#CCCCCCCCC(=O)CCCC 1458a_100000087357_100000210211 [0,1,0,0,0,0|1,0,2]=4 3621 B14R0.493 C#CCCCCCCCC(=O)CCCC 1458a_100000210183_100153394163 [0,1,0,0,0,0|1,0,2]=4 3622 B14R0.493 C#CCCCCCCCC(=O)CCCF 1458a_100000087357_100011934791 [0,1,0,0,0,0|1,0,2]=4 3623 B14R0.493 C#CCCCCCCCC(=O)CCCO 1458a_100000087357_100011215043 [0,1,0,0,0,0|1,0,2]=4 3624 B14R0.493 C#CCCCCCCCC(=O)CCOC 1458a_100000087357_100000233755 [0,1,0,0,0,0|1,0,2]=4 3625 B14R0.493 C#CCCCCCCCC(=O)CCOC 1458a_100000749529_100153394163 [0,1,0,0,0,0|1,0,2]=4 3626 B14R0.493 C#CCCCCCCCC(=O)CCSC 1458a_100000087357_100000751147 [0,1,0,0,0,0|1,0,2]=4 3627 B14R0.493 C#CCCCCCCCC(=O)CCSC 1458a_100000174002_100153394163 [0,1,0,0,0,0|1,0,2]=4 3628 B14R0.493 C#CCCCCCCCC(=O)COCC 1458a_100000211967_100153394163 [0,1,0,0,0,0|1,0,2]=4 3629 B14R0.493 C#CCCCCCCCC(=O)CSCC 1458a_100000230394_100153394163 [0,1,0,0,0,0|1,0,2]=4 3630 B14R0.493 C#CCCCCCCCC(=O)NCCC 11a_100020643023_100000087357 [0,1,0,0,0,0|1,0,2]=4 3631 B14R0.493 C#CCCCCCCCC(=O)NCCC 1626a_100020643023_100000087357 [0,1,0,0,0,0|1,0,2]=4 3632 B14R0.493 C#CCCCCCCCC(=O)NCCC 240690a_100020643023_100000087357 [0,1,0,0,0,0|1,0,2]=4 3633 B14R0.493 C#CCCCCCCCC(=O)NCCC 527a_100020643023_100000087357 [0,1,0,0,0,0|1,0,2]=4 3634 B14R0.493 C#CCCCCNCOC(=O)OCCC 34a_100000706060_200000139673 [0,1,0,0,0,0|1,0,2]=4 3635 B14R0.493 C#CCCCCOCOC(=O)OCCC 34a_100000766709_200000139673 [0,1,0,0,0,0|1,0,2]=4 3636 B14R0.493 C#CCCCCOCOC(=O)OCCC 7a_100000766709_200000139673 [0,1,0,0,0,0|1,0,2]=4 3637 B14R0.493 C#CCCCCSCOC(=O)OCCC 62a_100010269958_200000139673 [0,1,0,0,0,0|1,0,2]=4 3638 B14R0.493 C#CCNC(=O)CCCCCCCCC 11a_100000212058_100000210558 [0,1,0,0,0,0|1,0,2]=4 3639 B14R0.493 C#CCNC(=O)CCCCCCCCC 1626a_100000212058_100000210558 [0,1,0,0,0,0|1,0,2]=4 3640 B14R0.493 C#CCNC(=O)CCCCCCCCC 240690a_100000212058_100000210558 [0,1,0,0,0,0|1,0,2]=4 3641 B14R0.493 C#CCNC(=O)CCCCCCCCC 527a_100000212058_100000210558 [0,1,0,0,0,0|1,0,2]=4 3642 B14R0.493 C#CCNC(=O)NCCCCCCCC 2708a_100000212058_100000229939 [0,1,0,0,0,0|1,0,2]=4 3643 B14R0.493 C#CCNC(=O)NCCCCCCCC 2708a_100000229939_100000212058 [0,1,0,0,0,0|1,0,2]=4 3644 B14R0.493 C#CCNC(=O)NCCCCCCCC 273464a_100000212058_100000229939 [0,1,0,0,0,0|1,0,2]=4 3645 B14R0.493 C#CCNC(=O)NCCCCCCCC 273464a_100000229939_100000212058 [0,1,0,0,0,0|1,0,2]=4 3646 B14R0.493 C#CCNC(=O)NCCCCCCCC 512a_100000212058_100000229939 [0,1,0,0,0,0|1,0,2]=4 3647 B14R0.493 C#CCNC(=O)NCCCCCCCC 512a_100000229939_100000212058 [0,1,0,0,0,0|1,0,2]=4 3648 B14R0.493 C/C=C/CC(=O)C=CCCCCCCC 1458a_200015332781_100102629194 [0,1,0,0,0,0|1,0,2]=4 3649 B14R0.493 C/C=C/CC(=O)CCCCCCCCC 1458a_100000210558_100102629194 [0,1,0,0,0,0|1,0,1]=3 3650 B14R0.493 C=CCCC(=O)C=CCCCCCCC 1458a_200015332781_100000754431 [0,1,0,0,0,0|1,0,2]=4 3651 B14R0.493 C=CCCC(=O)CCCCCCCCC 1458a_100000210558_100000754431 [0,1,0,0,0,0|1,0,1]=3 3652 B14R0.493 C=CCCC(=O)CCCCCCCCC 1458a_100000749702_100000210670 [0,1,0,0,0,0|1,0,1]=3 3653 B14R0.493 C=CCCC(=O)CCCCCCCCO 1458a_100000749702_100000033203 [0,1,0,0,0,0|2,0,1]=4 3654 B14R0.493 C=CCCC(=O)NCCCCCCCC 11a_100000229939_100000749702 [0,1,0,0,0,0|1,0,1]=3 3655 B14R0.493 C=CCCC(=O)NCCCCCCCC 1626a_100000229939_100000749702 [0,1,0,0,0,0|1,0,1]=3 3656 B14R0.493 C=CCCC(=O)NCCCCCCCC 240690a_100000229939_100000749702 [0,1,0,0,0,0|1,0,1]=3 3657 B14R0.493 C=CCCC(=O)NCCCCCCCC 527a_100000229939_100000749702 [0,1,0,0,0,0|1,0,1]=3 3658 B14R0.493 C=CCCC(=O)NCCCCCCCO 240690a_100011996573_100000749702 [0,1,0,0,0,0|2,0,1]=4 3659 B14R0.493 C=CCCC(=O)NCCCOCCCC 1626a_200000211371_100000749702 [0,1,0,0,0,0|2,0,1]=4 3660 B14R0.493 C=CCCC(=O)NCCCOCCCC 240690a_200000211371_100000749702 [0,1,0,0,0,0|2,0,1]=4 3661 B14R0.493 C=CCCC(=O)NCCCOCCCC 527a_200000211371_100000749702 [0,1,0,0,0,0|2,0,1]=4 3662 B14R0.493 C=CCCC(C)OCCCCCCCC 34a_100000765329_100000210759 [0,1,0,0,0,0|1,0,2]=4 3663 B14R0.493 C=CCCC(C)OCCCCCCCC 7a_100000765329_100000210759 [0,1,0,0,0,0|1,0,2]=4 3664 B14R0.493 C=CCCCCCCCC(=O)CCCC 1458a_100000210183_100012355270 [0,1,0,0,0,0|1,0,2]=4 3665 B14R0.493 C=CCCCCCCCC(=O)CCCC 1458a_100011216160_100000210211 [0,1,0,0,0,0|1,0,2]=4 3666 B14R0.493 C=CCCCCCCCC(=O)CCCF 1458a_100011216160_100011934791 [0,1,0,0,0,0|1,0,2]=4 3667 B14R0.493 C=CCCCCCCCC(=O)CCCO 1458a_100011216160_100011215043 [0,1,0,0,0,0|1,0,2]=4 3668 B14R0.493 C=CCCCCCCCC(=O)CCOC 1458a_100000749529_100012355270 [0,1,0,0,0,0|1,0,2]=4 3669 B14R0.493 C=CCCCCCCCC(=O)CCOC 1458a_100011216160_100000233755 [0,1,0,0,0,0|1,0,2]=4 3670 B14R0.493 C=CCCCCCCCC(=O)CCSC 1458a_100000174002_100012355270 [0,1,0,0,0,0|1,0,2]=4 3671 B14R0.493 C=CCCCCCCCC(=O)CCSC 1458a_100011216160_100000751147 [0,1,0,0,0,0|1,0,2]=4 3672 B14R0.493 C=CCCCCCCCC(=O)COCC 1458a_100000211967_100012355270 [0,1,0,0,0,0|1,0,2]=4 3673 B14R0.493 C=CCCCCCCCC(=O)CSCC 1458a_100000230394_100012355270 [0,1,0,0,0,0|1,0,2]=4 3674 B14R0.493 C=CCCCCCCCC(=O)NCCC 11a_100020643023_100011216160 [0,1,0,0,0,0|1,0,2]=4 3675 B14R0.493 C=CCCCCCCCC(=O)NCCC 1626a_100020643023_100011216160 [0,1,0,0,0,0|1,0,2]=4 3676 B14R0.493 C=CCCCCCCCC(=O)NCCC 240690a_100020643023_100011216160 [0,1,0,0,0,0|1,0,2]=4 3677 B14R0.493 C=CCCCCCCCC(=O)NCCC 527a_100020643023_100011216160 [0,1,0,0,0,0|1,0,2]=4 3678 B14R0.493 C=CCCCCNCOC(=O)OCCC 34a_100000703577_200000139673 [0,1,0,0,0,0|1,0,2]=4 3679 B14R0.493 C=CCCCCOCOC(=O)OCCC 34a_100000766645_200000139673 [0,1,0,0,0,0|1,0,2]=4 3680 B14R0.493 C=CCCCCOCOC(=O)OCCC 7a_100000766645_200000139673 [0,1,0,0,0,0|1,0,2]=4 3681 B14R0.493 C=CCCCCSCOC(=O)OCCC 62a_100011215482_200000139673 [0,1,0,0,0,0|1,0,2]=4 3682 B14R0.493 C=CCNC(=O)CCCCCCCCC 1626a_100020586998_100000210558 [0,1,0,0,0,0|1,0,2]=4 3683 B14R0.493 C=CCNC(=O)CCCCCCCCC 240690a_100020586998_100000210558 [0,1,0,0,0,0|1,0,2]=4 3684 B14R0.493 C=CCNC(=O)CCCCCCCCC 527a_100020586998_100000210558 [0,1,0,0,0,0|1,0,2]=4 3685 B14R0.493 C=CCNC(=O)NCCCCCCCC 2708a_100000229939_100020586998 [0,1,0,0,0,0|1,0,2]=4 3686 B14R0.493 C=CCNC(=O)NCCCCCCCC 273464a_100000229939_100020586998 [0,1,0,0,0,0|1,0,2]=4 3687 B14R0.493 C=CCNC(=O)NCCCCCCCC 273464a_100020586998_100000229939 [0,1,0,0,0,0|1,0,2]=4 3688 B14R0.493 C=CCNC(=O)NCCCCCCCC 512a_100000229939_100020586998 [0,1,0,0,0,0|1,0,2]=4 3689 B14R0.493 C=CCNC(=O)NCCCCCCCC 512a_100020586998_100000229939 [0,1,0,0,0,0|1,0,2]=4 3690 B14R0.493 CC#CCC(=O)C=CCCCCCCC 1458a_200015332781_100000748600 [0,1,0,0,0,0|1,0,2]=4 3691 B14R0.493 CC#CCC(=O)CCCCCCCCC 1458a_100000210558_100000748600 [0,1,0,0,0,0|1,0,1]=3 3692 B14R0.493 CC(CCCCl)OCCCCCCCO 34a_200000718107_100000760002 [0,1,0,0,0,0|2,0,1]=4 3693 B14R0.493 CC(CCCCl)OCCCCCCCO 7a_200000718107_100000760002 [0,1,0,0,0,0|2,0,1]=4 3694 B14R0.493 CC/C=C\CCOCOC(=O)OCCC 34a_100016288707_200000139673 [0,1,0,0,0,0|1,0,2]=4 3695 B14R0.493 CC/C=C\CCOCOC(=O)OCCC 7a_100016288707_200000139673 [0,1,0,0,0,0|1,0,2]=4 3696 B14R0.493 CC/C=C\CCSCOC(=O)OCCC 62a_100015370543_200000139673 [0,1,0,0,0,0|1,0,2]=4 3697 B14R0.493 CC=CCC(=O)C=CCCCCCCC 1458a_200015332781_100000070051 [0,1,0,0,0,0|1,0,2]=4 3698 B14R0.493 CC=CCC(=O)CCCCCCCCC 1458a_100000210558_100000070051 [0,1,0,0,0,0|1,0,1]=3 3699 B14R0.493 CC=CCC(=O)CCCCCCCCC 1458a_100121576822_100000210670 [0,1,0,0,0,0|1,0,1]=3 3700 B14R0.493 CC=CCC(=O)CCCCCCCCO 1458a_100121576822_100000033203 [0,1,0,0,0,0|2,0,1]=4 3701 B14R0.493 CC=CCC(=O)NCCCCCCCC 11a_100000229939_100121576822 [0,1,0,0,0,0|1,0,1]=3 3702 B14R0.493 CC=CCC(=O)NCCCCCCCC 1626a_100000229939_100121576822 [0,1,0,0,0,0|1,0,1]=3 3703 B14R0.493 CC=CCC(=O)NCCCCCCCC 240690a_100000229939_100121576822 [0,1,0,0,0,0|1,0,1]=3 3704 B14R0.493 CC=CCC(=O)NCCCCCCCC 527a_100000229939_100121576822 [0,1,0,0,0,0|1,0,1]=3 3705 B14R0.493 CC=CCC(=O)NCCCCCCCO 240690a_100011996573_100121576822 [0,1,0,0,0,0|2,0,1]=4 3706 B14R0.493 CC=CCC(=O)NCCCOCCCC 1626a_200000211371_100121576822 [0,1,0,0,0,0|2,0,1]=4 3707 B14R0.493 CC=CCC(=O)NCCCOCCCC 240690a_200000211371_100121576822 [0,1,0,0,0,0|2,0,1]=4 3708 B14R0.493 CC=CCC(=O)NCCCOCCCC 527a_200000211371_100121576822 [0,1,0,0,0,0|2,0,1]=4 3709 B14R0.493 CC=CCCCOCOC(=O)OCCC 34a_100020645299_200000139673 [0,1,0,0,0,0|1,0,2]=4 3710 B14R0.493 CC=NNC(=O)CCCCCCCCC 4a_100011221126_200000210099 [0,1,0,0,0,0|2,0,1]=4 3711 B14R0.493 CCC#CC(=O)CCCCCCCCC 1458a_100011827653_100000210670 [0,1,0,0,0,0|1,0,1]=3 3712 B14R0.493 CCC#CC(=O)CCCCCCCCO 1458a_100011827653_100000033203 [0,1,0,0,0,0|2,0,1]=4 3713 B14R0.493 CCC#CC(C)OCCCCCCCC 34a_100000033903_100000210759 [0,1,0,0,0,0|1,0,2]=4 3714 B14R0.493 CCC#CC(C)OCCCCCCCC 7a_100000033903_100000210759 [0,1,0,0,0,0|1,0,2]=4 3715 B14R0.493 CCC#CCCOCOC(=O)OCCC 34a_100000036655_200000139673 [0,1,0,0,0,0|1,0,2]=4 3716 B14R0.493 CCC#CCCOCOC(=O)OCCC 7a_100000036655_200000139673 [0,1,0,0,0,0|1,0,2]=4 3717 B14R0.493 CCC/C=C/COCOC(=O)OCCC 34a_100016278788_200000139673 [0,1,0,0,0,0|1,0,2]=4 3718 B14R0.493 CCC/C=C/COCOC(=O)OCCC 7a_100016278788_200000139673 [0,1,0,0,0,0|1,0,2]=4 3719 B14R0.493 CCC=CC(=O)CCCCCCCCC 1458a_100000212282_100000210670 [0,1,0,0,0,0|1,0,1]=3 3720 B14R0.493 CCC=CC(=O)CCCCCCCCO 1458a_100000212282_100000033203 [0,1,0,0,0,0|2,0,1]=4 3721 B14R0.493 CCC=CC(=O)NCCCCCCCC 11a_100000229939_100000212282 [0,1,0,0,0,0|1,0,1]=3 3722 B14R0.493 CCC=CC(=O)NCCCCCCCC 1626a_100000229939_100000212282 [0,1,0,0,0,0|1,0,1]=3 3723 B14R0.493 CCC=CC(=O)NCCCCCCCC 240690a_100000229939_100000212282 [0,1,0,0,0,0|1,0,1]=3 3724 B14R0.493 CCC=CC(=O)NCCCCCCCO 240690a_100011996573_100000212282 [0,1,0,0,0,0|2,0,1]=4 3725 B14R0.493 CCC=CC(=O)NCCCOCCCC 1626a_200000211371_100000212282 [0,1,0,0,0,0|2,0,1]=4 3726 B14R0.493 CCC=CC(=O)NCCCOCCCC 240690a_200000211371_100000212282 [0,1,0,0,0,0|2,0,1]=4 3727 B14R0.493 CCCC#CCOCOC(=O)OCCC 34a_100000034806_200000139673 [0,1,0,0,0,0|1,0,2]=4 3728 B14R0.493 CCCC#CCOCOC(=O)OCCC 7a_100000034806_200000139673 [0,1,0,0,0,0|1,0,2]=4 3729 B14R0.493 CCCCC#CCCCC(=O)CCCC 1458a_100000210183_200000047210 [0,1,0,0,0,0|1,0,2]=4 3730 B14R0.493 CCCCC#CCCCC(=O)CCOC 1458a_100000749529_200000047210 [0,1,0,0,0,0|1,0,2]=4 3731 B14R0.493 CCCCC#CCCCC(=O)CCSC 1458a_100000174002_200000047210 [0,1,0,0,0,0|1,0,2]=4 3732 B14R0.493 CCCCC#CCCCC(=O)COCC 1458a_100000211967_200000047210 [0,1,0,0,0,0|1,0,2]=4 3733 B14R0.493 CCCCC#CCCCC(=O)CSCC 1458a_100000230394_200000047210 [0,1,0,0,0,0|1,0,2]=4 3734 B14R0.493 CCCCC(=O)CCCCCCCCO 1458a_100000210183_100000033203 [0,1,0,0,0,0|2,0,0]=3 3735 B14R0.493 CCCCC(=O)NCCCCCCCO 240690a_100011996573_100000210183 [0,1,0,0,0,0|2,0,0]=3 3736 B14R0.493 CCCCC(=O)NCCCOCCCO 240690a_100011310245_100000210183 [0,1,0,0,0,0|3,0,0]=4 3737 B14R0.493 CCCCC(=O)NCCCOCCOC 1626a_100000206027_100000210183 [0,1,0,0,0,0|3,0,0]=4 3738 B14R0.493 CCCCC(=O)NCCCOCCOC 240690a_100000206027_100000210183 [0,1,0,0,0,0|3,0,0]=4 3739 B14R0.493 CCCCC(=O)NCCOCCOCC 11a_100102712874_100000210183 [0,1,0,0,0,0|3,0,0]=4 3740 B14R0.493 CCCCC(=O)NCCOCCOCC 1626a_100102712874_100000210183 [0,1,0,0,0,0|3,0,0]=4 3741 B14R0.493 CCCCC(=O)NCCOCCOCC 240690a_100102712874_100000210183 [0,1,0,0,0,0|3,0,0]=4 3742 B14R0.493 CCCCC(=O)NCCOCCOCC 527a_100102712874_100000210183 [0,1,0,0,0,0|3,0,0]=4 3743 B14R0.493 CCCCC(C)OCCCCCCCBr 34a_100000760002_200011215066 [0,1,0,0,0,0|2,0,1]=4 3744 B14R0.493 CCCCC(C)OCCCCCCCBr 7a_100000760002_200011215066 [0,1,0,0,0,0|2,0,1]=4 3745 B14R0.493 CCCCC(C)OCCCCCCCN 34a_100011996573_200011215066 [0,1,0,0,0,0|2,0,1]=4 3746 B14R0.493 CCCCC(C)OCCCCCCCO 34a_100000687866_100000760002 [0,1,0,0,0,0|2,0,1]=4 3747 B14R0.493 CCCCC(C)OCCCCCCCO 7a_100000687866_100000760002 [0,1,0,0,0,0|2,0,1]=4 3748 B14R0.493 CCCCC(C)OCCCCCCOC 34a_100000687866_100011998445 [0,1,0,0,0,0|2,0,1]=4 3749 B14R0.493 CCCCC(C)OCCCCCCOC 34a_200012092642_200011215066 [0,1,0,0,0,0|2,0,1]=4 3750 B14R0.493 CCCCC(C)OCCCCCCOC 7a_100000687866_100011998445 [0,1,0,0,0,0|2,0,1]=4 3751 B14R0.493 CCCCC(C)OCCCCCCOC 7a_200012092642_200011215066 [0,1,0,0,0,0|2,0,1]=4 3752 B14R0.493 CCCCC/C=C/CCC(=O)CCCC 1458a_200015255902_100000210211 [0,1,0,0,0,0|1,0,2]=4 3753 B14R0.493 CCCCC/C=C/CCC(=O)CCCF 1458a_200015255902_100011934791 [0,1,0,0,0,0|1,0,2]=4 3754 B14R0.493 CCCCC/C=C/CCC(=O)CCCO 1458a_200015255902_100011215043 [0,1,0,0,0,0|1,0,2]=4 3755 B14R0.493 CCCCC/C=C/CCC(=O)CCOC 1458a_200015255902_100000233755 [0,1,0,0,0,0|1,0,2]=4 3756 B14R0.493 CCCCC/C=C/CCC(=O)CCSC 1458a_200015255902_100000751147 [0,1,0,0,0,0|1,0,2]=4 3757 B14R0.493 CCCCC/C=C/CCC(=O)NCCC 11a_100020643023_200015255902 [0,1,0,0,0,0|1,0,2]=4 3758 B14R0.493 CCCCC/C=C/CCC(=O)NCCC 1626a_100020643023_200015255902 [0,1,0,0,0,0|1,0,2]=4 3759 B14R0.493 CCCCC/C=C/CCC(=O)NCCC 240690a_100020643023_200015255902 [0,1,0,0,0,0|1,0,2]=4 3760 B14R0.493 CCCCC/C=C/CCC(=O)NCCC 527a_100020643023_200015255902 [0,1,0,0,0,0|1,0,2]=4 3761 B14R0.493 CCCCCC/C=C/CC(=O)CCCC 1458a_100020681715_100000210211 [0,1,0,0,0,0|1,0,2]=4 3762 B14R0.493 CCCCCC/C=C/CC(=O)CCCF 1458a_100020681715_100011934791 [0,1,0,0,0,0|1,0,2]=4 3763 B14R0.493 CCCCCC/C=C/CC(=O)CCCO 1458a_100020681715_100011215043 [0,1,0,0,0,0|1,0,2]=4 3764 B14R0.493 CCCCCC/C=C/CC(=O)CCOC 1458a_100020681715_100000233755 [0,1,0,0,0,0|1,0,2]=4 3765 B14R0.493 CCCCCC/C=C/CC(=O)CCSC 1458a_100020681715_100000751147 [0,1,0,0,0,0|1,0,2]=4 3766 B14R0.493 CCCCCC/C=C/CC(=O)NCCC 11a_100020643023_100020681715 [0,1,0,0,0,0|1,0,2]=4 3767 B14R0.493 CCCCCC/C=C/CC(=O)NCCC 1626a_100020643023_100020681715 [0,1,0,0,0,0|1,0,2]=4 3768 B14R0.493 CCCCCC/C=C/CC(=O)NCCC 240690a_100020643023_100020681715 [0,1,0,0,0,0|1,0,2]=4 3769 B14R0.493 CCCCCCC=NNC(=O)CCCC 4a_100000189769_100000234349 [0,1,0,0,0,0|2,0,1]=4 3770 B14R0.493 CCCCCCC=NNC(=O)CCOC 4a_100011260505_100000234349 [0,1,0,0,0,0|2,0,1]=4 3771 B14R0.493 CCCCCCC=NNC(=O)COCC 4a_100000216846_100000234349 [0,1,0,0,0,0|2,0,1]=4 3772 B14R0.493 CCCCCCCC=CC(=O)CCC#N 1458a_200015332781_100011215226 [0,1,0,0,0,0|1,0,2]=4 3773 B14R0.493 CCCCCCCC=CC(=O)CCCC 1458a_200015332781_100000210211 [0,1,0,0,0,0|1,0,1]=3 3774 B14R0.493 CCCCCCCC=CC(=O)CCCF 1458a_200015332781_100011934791 [0,1,0,0,0,0|1,0,1]=3 3775 B14R0.493 CCCCCCCC=CC(=O)CCCO 1458a_200015332781_100011215043 [0,1,0,0,0,0|1,0,1]=3 3776 B14R0.493 CCCCCCCC=CC(=O)CCOC 1458a_200015332781_100000233755 [0,1,0,0,0,0|1,0,1]=3 3777 B14R0.493 CCCCCCCC=CC(=O)CCSC 1458a_200015332781_100000751147 [0,1,0,0,0,0|1,0,1]=3 3778 B14R0.493 CCCCCCCC=CC(=O)NCCC 11a_100020643023_200015332781 [0,1,0,0,0,0|1,0,1]=3 3779 B14R0.493 CCCCCCCC=CC(=O)NCCC 1626a_100020643023_200015332781 [0,1,0,0,0,0|1,0,1]=3 3780 B14R0.493 CCCCCCCC=CC(=O)NCCC 240690a_100020643023_200015332781 [0,1,0,0,0,0|1,0,1]=3 3781 B14R0.493 CCCCCCCC=CC(=O)NCCF 11a_100000724931_200015332781 [0,1,0,0,0,0|2,0,1]=4 3782 B14R0.493 CCCCCCCC=CC(=O)NCCF 1626a_100000724931_200015332781 [0,1,0,0,0,0|2,0,1]=4 3783 B14R0.493 CCCCCCCC=CC(=O)NCCF 240690a_100000724931_200015332781 [0,1,0,0,0,0|2,0,1]=4 3784 B14R0.493 CCCCCCCC=CC(=O)NCCO 240690a_100000210304_200015332781 [0,1,0,0,0,0|2,0,1]=4 3785 B14R0.493 CCCCCCCC=CC(=O)NNCC 22a_100000756455_200015332781 [0,1,0,0,0,0|2,0,1]=4 3786 B14R0.493 CCCCCCCCCC(=NNCC)C 4a_100000756455_100011215753 [0,1,0,0,0,0|3,0,0]=4 3787 B14R0.493 CCCCCCCCCC(=O)C#CCO 1458a_100000049017_100000210670 [0,1,0,0,0,0|1,0,2]=4 3788 B14R0.493 CCCCCCCCCC(=O)C=COC 1458a_100016268678_100000210670 [0,1,0,0,0,0|1,0,2]=4 3789 B14R0.493 CCCCCCCCCC(=O)CCC#N 1458a_100000210558_100011215226 [0,1,0,0,0,0|1,0,1]=3 3790 B14R0.493 CCCCCCCCCC(=O)CCC#N 1458a_100011934036_100000210670 [0,1,0,0,0,0|1,0,1]=3 3791 B14R0.493 CCCCCCCCCC(=O)CCCC 1458a_100000210183_100000210670 [0,1,0,0,0,0|1,0,0]=2 3792 B14R0.493 CCCCCCCCCC(=O)CCCC 1458a_100000210558_100000210211 [0,1,0,0,0,0|1,0,0]=2 3793 B14R0.493 CCCCCCCCCC(=O)CCCF 1458a_100000210558_100011934791 [0,1,0,0,0,0|1,0,0]=2 3794 B14R0.493 CCCCCCCCCC(=O)CCCO 1458a_100000210558_100011215043 [0,1,0,0,0,0|1,0,0]=2 3795 B14R0.493 CCCCCCCCCC(=O)CCOC 1458a_100000210558_100000233755 [0,1,0,0,0,0|1,0,0]=2 3796 B14R0.493 CCCCCCCCCC(=O)CCOC 1458a_100000749529_100000210670 [0,1,0,0,0,0|1,0,0]=2 3797 B14R0.493 CCCCCCCCCC(=O)CCSC 1458a_100000174002_100000210670 [0,1,0,0,0,0|1,0,0]=2 3798 B14R0.493 CCCCCCCCCC(=O)CCSC 1458a_100000210558_100000751147 [0,1,0,0,0,0|1,0,0]=2 3799 B14R0.493 CCCCCCCCCC(=O)COCC 1458a_100000211967_100000210670 [0,1,0,0,0,0|1,0,0]=2 3800 B14R0.493 CCCCCCCCCC(=O)CSCC 1458a_100000230394_100000210670 [0,1,0,0,0,0|1,0,0]=2 3801 B14R0.493 CCCCCCCCCC(=O)NCC#N 1626a_100000734998_100000210558 [0,1,0,0,0,0|2,0,1]=4 3802 B14R0.493 CCCCCCCCCC(=O)NCC#N 527a_100000734998_100000210558 [0,1,0,0,0,0|2,0,1]=4 3803 B14R0.493 CCCCCCCCCC(=O)NCCC 11a_100020643023_100000210558 [0,1,0,0,0,0|1,0,0]=2 3804 B14R0.493 CCCCCCCCCC(=O)NCCC 1626a_100020643023_100000210558 [0,1,0,0,0,0|1,0,0]=2 3805 B14R0.493 CCCCCCCCCC(=O)NCCC 240690a_100020643023_100000210558 [0,1,0,0,0,0|1,0,0]=2 3806 B14R0.493 CCCCCCCCCC(=O)NCCC 527a_100020643023_100000210558 [0,1,0,0,0,0|1,0,0]=2 3807 B14R0.493 CCCCCCCCCC(=O)NCCF 11a_100000724931_100000210558 [0,1,0,0,0,0|2,0,0]=3 3808 B14R0.493 CCCCCCCCCC(=O)NCCF 1626a_100000724931_100000210558 [0,1,0,0,0,0|2,0,0]=3 3809 B14R0.493 CCCCCCCCCC(=O)NCCF 240690a_100000724931_100000210558 [0,1,0,0,0,0|2,0,0]=3 3810 B14R0.493 CCCCCCCCCC(=O)NCCF 527a_100000724931_100000210558 [0,1,0,0,0,0|2,0,0]=3 3811 B14R0.493 CCCCCCCCCC(=O)NCCO 240690a_100000210304_100000210558 [0,1,0,0,0,0|2,0,0]=3 3812 B14R0.493 CCCCCCCCCC(=O)NCCO 527a_100000210304_100000210558 [0,1,0,0,0,0|2,0,0]=3 3813 B14R0.493 CCCCCCCCCC(=O)NNCC 22a_100000756455_100000210558 [0,1,0,0,0,0|2,0,0]=3 3814 B14R0.493 CCCCCCCCCC(=O)OCNC 2230a_106832991635_200010990708 [0,1,0,0,0,0|2,0,0]=3 3815 B14R0.493 CCCCCCCCCC(=O)OCNC 34a_100102657272_200010990708 [0,1,0,0,0,0|2,0,0]=3 3816 B14R0.493 CCCCCCCCCC(=O)OCNC 7a_106832991635_200010990708 [0,1,0,0,0,0|2,0,0]=3 3817 B14R0.493 CCCCCCCCCC(=O)OCOC 34a_100138415774_200010990708 [0,1,0,0,0,0|2,0,0]=3 3818 B14R0.493 CCCCCCCCCC(=O)OCSC 62a_200000210301_200010990708 [0,1,0,0,0,0|2,0,0]=3 3819 B14R0.493 CCCCCCCCCC(=O)OCS[13CH3] 62a_200025704644_200010990708 [0,1,0,0,0,0|2,0,0]=3 3820 B14R0.493 CCCCCCCCCC(C)CNCC 270004a_100015525214_200011218516 [0,1,0,0,0,0|2,0,1]=4 3821 B14R0.493 CCCCCCCCCC(C)NCCC 270004a_100020643023_100011215753 [0,1,0,0,0,0|2,0,1]=4 3822 B14R0.493 CCCCCCCCCC(C)OCCC 34a_100011218016_100000210303 [0,1,0,0,0,0|2,0,1]=4 3823 B14R0.493 CCCCCCCCCC(C)OCCC 7a_100011218016_100000210303 [0,1,0,0,0,0|2,0,1]=4 3824 B14R0.493 CCCCCCCCCN(C)CCCC 2230a_100000207549_100011214924 [0,1,0,0,0,0|3,0,0]=4 3825 B14R0.493 CCCCCCCCCN(C)CCCC 2230a_100000232482_100000210211 [0,1,0,0,0,0|3,0,0]=4 3826 B14R0.493 CCCCCCCCCN(C)CCCC 269982a_100000207549_100000210670 [0,1,0,0,0,0|3,0,0]=4 3827 B14R0.493 CCCCCCCCCN(C)CCCC 269982a_100000232482_100000210211 [0,1,0,0,0,0|3,0,0]=4 3828 B14R0.493 CCCCCCCCCN(C)CCCF 2230a_100000232482_100011934791 [0,1,0,0,0,0|3,0,0]=4 3829 B14R0.493 CCCCCCCCCN(C)CCCF 269982a_100000232482_100011934791 [0,1,0,0,0,0|3,0,0]=4 3830 B14R0.493 CCCCCCCCCN(C)CCCO 2230a_100000213112_100011214924 [0,1,0,0,0,0|3,0,0]=4 3831 B14R0.493 CCCCCCCCCN(C)CCCO 2230a_100000232482_100000230001 [0,1,0,0,0,0|3,0,0]=4 3832 B14R0.493 CCCCCCCCCN(C)CCCO 269982a_100000213112_100000210670 [0,1,0,0,0,0|3,0,0]=4 3833 B14R0.493 CCCCCCCCCN(C)CCCO 269982a_100000232482_100011215043 [0,1,0,0,0,0|3,0,0]=4 3834 B14R0.493 CCCCCCCCCN(C)CCOC 2230a_100000232482_100011201679 [0,1,0,0,0,0|3,0,0]=4 3835 B14R0.493 CCCCCCCCCN(C)CCOC 2230a_100000743101_100011214924 [0,1,0,0,0,0|3,0,0]=4 3836 B14R0.493 CCCCCCCCCN(C)CCOC 269982a_100000232482_100000233755 [0,1,0,0,0,0|3,0,0]=4 3837 B14R0.493 CCCCCCCCCN(C)CCOC 269982a_100000743101_100000210670 [0,1,0,0,0,0|3,0,0]=4 3838 B14R0.493 CCCCCCCCCN(C)CCSC 2230a_100000232482_100000751147 [0,1,0,0,0,0|3,0,0]=4 3839 B14R0.493 CCCCCCCCCN(C)CCSC 2230a_100000686725_100011214924 [0,1,0,0,0,0|3,0,0]=4 3840 B14R0.493 CCCCCCCCCN(C)CCSC 269982a_100000232482_100000212216 [0,1,0,0,0,0|3,0,0]=4 3841 B14R0.493 CCCCCCCCCN(C)CCSC 269982a_100000686725_100000210670 [0,1,0,0,0,0|3,0,0]=4 3842 B14R0.493 CCCCCCCCCN(C)COCC 269982a_100000232482_100000739092 [0,1,0,0,0,0|3,0,0]=4 3843 B14R0.493 CCCCCCCCNC(=O)C=COC 1626a_100000229939_100016268678 [0,1,0,0,0,0|1,0,2]=4 3844 B14R0.493 CCCCCCCCNC(=O)C=COC 240690a_100000229939_100016268678 [0,1,0,0,0,0|1,0,2]=4 3845 B14R0.493 CCCCCCCCNC(=O)CCC#N 11a_100000229939_100011934036 [0,1,0,0,0,0|1,0,1]=3 3846 B14R0.493 CCCCCCCCNC(=O)CCC#N 1626a_100000229939_100011934036 [0,1,0,0,0,0|1,0,1]=3 3847 B14R0.493 CCCCCCCCNC(=O)CCC#N 240690a_100000229939_100011934036 [0,1,0,0,0,0|1,0,1]=3 3848 B14R0.493 CCCCCCCCNC(=O)CCC#N 527a_100000229939_100011934036 [0,1,0,0,0,0|1,0,1]=3 3849 B14R0.493 CCCCCCCCNC(=O)CCCC 11a_100000229939_100000210183 [0,1,0,0,0,0|1,0,0]=2 3850 B14R0.493 CCCCCCCCNC(=O)CCCC 1626a_100000229939_100000210183 [0,1,0,0,0,0|1,0,0]=2 3851 B14R0.493 CCCCCCCCNC(=O)CCCC 240690a_100000229939_100000210183 [0,1,0,0,0,0|1,0,0]=2 3852 B14R0.493 CCCCCCCCNC(=O)CCCC 527a_100000229939_100000210183 [0,1,0,0,0,0|1,0,0]=2 3853 B14R0.493 CCCCCCCCNC(=O)CCOC 11a_100000229939_100000749529 [0,1,0,0,0,0|1,0,0]=2 3854 B14R0.493 CCCCCCCCNC(=O)CCOC 1626a_100000229939_100000749529 [0,1,0,0,0,0|1,0,0]=2 3855 B14R0.493 CCCCCCCCNC(=O)CCOC 240690a_100000229939_100000749529 [0,1,0,0,0,0|1,0,0]=2 3856 B14R0.493 CCCCCCCCNC(=O)CCOC 527a_100000229939_100000749529 [0,1,0,0,0,0|1,0,0]=2 3857 B14R0.493 CCCCCCCCNC(=O)CCSC 11a_100000229939_100000174002 [0,1,0,0,0,0|1,0,0]=2 3858 B14R0.493 CCCCCCCCNC(=O)CCSC 1626a_100000229939_100000174002 [0,1,0,0,0,0|1,0,0]=2 3859 B14R0.493 CCCCCCCCNC(=O)CCSC 240690a_100000229939_100000174002 [0,1,0,0,0,0|1,0,0]=2 3860 B14R0.493 CCCCCCCCNC(=O)CCSC 527a_100000229939_100000174002 [0,1,0,0,0,0|1,0,0]=2 3861 B14R0.493 CCCCCCCCNC(=O)CN=[N+]=[N-] 11a_100000229939_100000751907 [0,1,0,0,0,0|3,0,0]=4 3862 B14R0.493 CCCCCCCCNC(=O)CN=[N+]=[N-] 240690a_100000229939_100000751907 [0,1,0,0,0,0|3,0,0]=4 3863 B14R0.493 CCCCCCCCNC(=O)COCC 11a_100000229939_100000211967 [0,1,0,0,0,0|1,0,0]=2 3864 B14R0.493 CCCCCCCCNC(=O)COCC 1626a_100000229939_100000211967 [0,1,0,0,0,0|1,0,0]=2 3865 B14R0.493 CCCCCCCCNC(=O)COCC 240690a_100000229939_100000211967 [0,1,0,0,0,0|1,0,0]=2 3866 B14R0.493 CCCCCCCCNC(=O)COCC 527a_100000229939_100000211967 [0,1,0,0,0,0|1,0,0]=2 3867 B14R0.493 CCCCCCCCNC(=O)CSCC 11a_100000229939_100000230394 [0,1,0,0,0,0|1,0,0]=2 3868 B14R0.493 CCCCCCCCNC(=O)CSCC 1626a_100000229939_100000230394 [0,1,0,0,0,0|1,0,0]=2 3869 B14R0.493 CCCCCCCCNC(=O)CSCC 240690a_100000229939_100000230394 [0,1,0,0,0,0|1,0,0]=2 3870 B14R0.493 CCCCCCCCNC(=O)CSCC 527a_100000229939_100000230394 [0,1,0,0,0,0|1,0,0]=2 3871 B14R0.493 CCCCCCCCNC(=O)NCC#N 2708a_100000734998_100000229939 [0,1,0,0,0,0|2,0,1]=4 3872 B14R0.493 CCCCCCCCNC(=O)NCC#N 273464a_100000229939_100000734998 [0,1,0,0,0,0|2,0,1]=4 3873 B14R0.493 CCCCCCCCNC(=O)NCC#N 273464a_100000734998_100000229939 [0,1,0,0,0,0|2,0,1]=4 3874 B14R0.493 CCCCCCCCNC(=O)NCC#N 512a_100000229939_100000734998 [0,1,0,0,0,0|2,0,1]=4 3875 B14R0.493 CCCCCCCCNC(=O)NCC#N 512a_100000734998_100000229939 [0,1,0,0,0,0|2,0,1]=4 3876 B14R0.493 CCCCCCCCNC(=O)NCCC 2708a_100000229939_100020643023 [0,1,0,0,0,0|1,0,0]=2 3877 B14R0.493 CCCCCCCCNC(=O)NCCC 2708a_100020643023_100000229939 [0,1,0,0,0,0|1,0,0]=2 3878 B14R0.493 CCCCCCCCNC(=O)NCCC 273464a_100000229939_100020643023 [0,1,0,0,0,0|1,0,0]=2 3879 B14R0.493 CCCCCCCCNC(=O)NCCC 273464a_100020643023_100000229939 [0,1,0,0,0,0|1,0,0]=2 3880 B14R0.493 CCCCCCCCNC(=O)NCCC 512a_100000229939_100020643023 [0,1,0,0,0,0|1,0,0]=2 3881 B14R0.493 CCCCCCCCNC(=O)NCCC 512a_100020643023_100000229939 [0,1,0,0,0,0|1,0,0]=2 3882 B14R0.493 CCCCCCCCNC(=O)NCCF 2708a_100000229939_100000724931 [0,1,0,0,0,0|2,0,0]=3 3883 B14R0.493 CCCCCCCCNC(=O)NCCF 273464a_100000229939_100000724931 [0,1,0,0,0,0|2,0,0]=3 3884 B14R0.493 CCCCCCCCNC(=O)NCCF 273464a_100000724931_100000229939 [0,1,0,0,0,0|2,0,0]=3 3885 B14R0.493 CCCCCCCCNC(=O)NCCF 512a_100000229939_100000724931 [0,1,0,0,0,0|2,0,0]=3 3886 B14R0.493 CCCCCCCCNC(=O)NCCO 2708a_100000229939_100000210304 [0,1,0,0,0,0|2,0,0]=3 3887 B14R0.493 CCCCCCCCNC(=O)NCCO 273464a_100000210304_100000229939 [0,1,0,0,0,0|2,0,0]=3 3888 B14R0.493 CCCCCCCCNC(=O)NCCO 273464a_100000229939_100000210304 [0,1,0,0,0,0|2,0,0]=3 3889 B14R0.493 CCCCCCCCNC(=O)NCCO 512a_100000229939_100000210304 [0,1,0,0,0,0|2,0,0]=3 3890 B14R0.493 CCCCCCCCNC(=O)NNCC 273464a_100000229939_100000756455 [0,1,0,0,0,0|2,0,0]=3 3891 B14R0.493 CCCCCCCCNC(=O)NNCC 512a_100000229939_100000756455 [0,1,0,0,0,0|2,0,0]=3 3892 B14R0.493 CCCCCCCCNC(=O)NNCC 512a_100000756455_100000229939 [0,1,0,0,0,0|2,0,0]=3 3893 B14R0.493 CCCCCCCCNC(C)CCCC 2230a_100000126638_100000210759 [0,1,0,0,0,0|2,0,1]=4 3894 B14R0.493 CCCCCCCCNC(C)CCCC 2230a_100000229939_200011215066 [0,1,0,0,0,0|2,0,1]=4 3895 B14R0.493 CCCCCCCCNC(C)CCCC 270004a_100000229939_100000210087 [0,1,0,0,0,0|2,0,1]=4 3896 B14R0.493 CCCCCCCCNC(C)CCCC 34a_100000229939_200011215066 [0,1,0,0,0,0|2,0,1]=4 3897 B14R0.493 CCCCCCCCNC(C)CCOC 270004a_100000229939_100000742357 [0,1,0,0,0,0|2,0,1]=4 3898 B14R0.493 CCCCCCCCNC(C)CCSC 270004a_100000229939_100011217047 [0,1,0,0,0,0|2,0,1]=4 3899 B14R0.493 CCCCCCCCNC(C)CSCC 270004a_100000229939_200011216171 [0,1,0,0,0,0|2,0,1]=4 3900 B14R0.493 CCCCCCCCOC(C)CCCC 34a_100000210232_200011215066 [0,1,0,0,0,0|1,0,1]=3 3901 B14R0.493 CCCCCCCCOC(C)CCCC 34a_100000687866_100000210759 [0,1,0,0,0,0|1,0,1]=3 3902 B14R0.493 CCCCCCCCOC(C)CCCC 7a_100000210232_200011215066 [0,1,0,0,0,0|1,0,1]=3 3903 B14R0.493 CCCCCCCCOC(C)CCCC 7a_100000687866_100000210759 [0,1,0,0,0,0|1,0,1]=3 3904 B14R0.493 CCCCCCCCOC(C)CCCCl 34a_200000718107_100000210759 [0,1,0,0,0,0|1,0,1]=3 3905 B14R0.493 CCCCCCCCOC(C)CCCCl 7a_200000718107_100000210759 [0,1,0,0,0,0|1,0,1]=3 3906 B14R0.493 CCCCCCCCOC(C)COCC 34a_100000718985_100000210759 [0,1,0,0,0,0|1,0,1]=3 3907 B14R0.493 CCCCCCCCOC(C)COCC 7a_100000718985_100000210759 [0,1,0,0,0,0|1,0,1]=3 3908 B14R0.493 CCCCCCCCSC(C)CCCC 62a_100000210759_200011215066 [0,1,0,0,0,0|1,1,1]=4 3909 B14R0.493 CCCCCCCCSC(C)CCCC 62a_200011215066_100000210317 [0,1,0,0,0,0|1,1,1]=4 3910 B14R0.493 CCCCCCCNCC(=O)NCCC 2230a_100000174927_100000210681 [0,1,0,0,0,0|2,0,0]=3 3911 B14R0.493 CCCCCCCNCC(=O)NCCC 2230a_100000229938_100000183358 [0,1,0,0,0,0|2,0,0]=3 3912 B14R0.493 CCCCCCCNCC(=O)NCCF 2230a_100000725713_100000210681 [0,1,0,0,0,0|3,0,0]=4 3913 B14R0.493 CCCCCCCNCC(=O)OCCC 2230a_100000229938_200011215008 [0,1,0,0,0,0|2,0,0]=3 3914 B14R0.493 CCCCCCCOCC(=O)NCCC 34a_100000210272_100000183358 [0,1,0,0,0,0|2,0,0]=3 3915 B14R0.493 CCCCCCCOCC(=O)NCCC 7a_100000210272_100000183358 [0,1,0,0,0,0|2,0,0]=3 3916 B14R0.493 CCCCCCCOCC(=O)OCCC 34a_100000210272_200011215008 [0,1,0,0,0,0|2,0,0]=3 3917 B14R0.493 CCCCCCCOCC(=O)OCCC 7a_100000210272_200011215008 [0,1,0,0,0,0|2,0,0]=3 3918 B14R0.493 CCCCCCCSCC(=O)NCCC 62a_100000183358_100000210316 [0,1,0,0,0,0|2,0,0]=3 3919 B14R0.493 CCCCCCCSCC(=O)NCCC 62a_100000210614_100000183358 [0,1,0,0,0,0|2,0,0]=3 3920 B14R0.493 CCCCCCCSCC(=O)OCCC 62a_100000210614_200011215008 [0,1,0,0,0,0|2,0,0]=3 3921 B14R0.493 CCCCCCCSCC(=O)OCCC 62a_200011215008_100000210316 [0,1,0,0,0,0|2,0,0]=3 3922 B14R0.493 CCCCCCOCOC(=O)OCCC 34a_100000210259_200000139673 [0,1,0,0,0,0|1,0,0]=2 3923 B14R0.493 CCCCCCOCOC(=O)OCCC 7a_100000210259_200000139673 [0,1,0,0,0,0|1,0,0]=2 3924 B14R0.493 CCCCCCSCOC(=O)OCCC 62a_100000210314_200000139673 [0,1,0,0,0,0|1,0,0]=2 3925 B14R0.493 CCCCCNCCCC(=O)NCCC 2230a_100000209983_100011194427 [0,1,0,0,0,0|2,0,0]=3 3926 B14R0.493 CCCCCNCCOC(C)CCCC 34a_100000224656_200011215066 [0,1,0,0,0,0|2,0,1]=4 3927 B14R0.493 CCCCCOCCCC(=O)NCCC 7a_100000210253_100011194427 [0,1,0,0,0,0|2,0,0]=3 3928 B14R0.493 CCCCCOCCOC(C)CCCC 34a_100011215259_200011215066 [0,1,0,0,0,0|2,0,1]=4 3929 B14R0.493 CCCCCOCCOC(C)CCCC 7a_100011215259_200011215066 [0,1,0,0,0,0|2,0,1]=4 3930 B14R0.493 CCCCCSCCCC(=O)NCCC 62a_100000210326_100011194427 [0,1,0,0,0,0|2,0,0]=3 3931 B14R0.493 CCCCCSCCCC(=O)NCCC 62a_100011194427_100000210326 [0,1,0,0,0,0|2,0,0]=3 3932 B14R0.493 CCCCOCCCNC(=O)CCC#N 1626a_200000211371_100011934036 [0,1,0,0,0,0|2,0,1]=4 3933 B14R0.493 CCCCOCCCNC(=O)CCC#N 240690a_200000211371_100011934036 [0,1,0,0,0,0|2,0,1]=4 3934 B14R0.493 CCCCOCCCNC(=O)CCC#N 527a_200000211371_100011934036 [0,1,0,0,0,0|2,0,1]=4 3935 B14R0.493 CCCCOCCCNC(=O)CCCC 1626a_200000211371_100000210183 [0,1,0,0,0,0|2,0,0]=3 3936 B14R0.493 CCCCOCCCNC(=O)CCCC 240690a_200000211371_100000210183 [0,1,0,0,0,0|2,0,0]=3 3937 B14R0.493 CCCCOCCCNC(=O)CCCC 527a_200000211371_100000210183 [0,1,0,0,0,0|2,0,0]=3 3938 B14R0.493 CCCCOCCCNC(=O)CCOC 1626a_200000211371_100000749529 [0,1,0,0,0,0|2,0,0]=3 3939 B14R0.493 CCCCOCCCNC(=O)CCOC 240690a_200000211371_100000749529 [0,1,0,0,0,0|2,0,0]=3 3940 B14R0.493 CCCCOCCCNC(=O)CCOC 527a_200000211371_100000749529 [0,1,0,0,0,0|2,0,0]=3 3941 B14R0.493 CCCCOCCCNC(=O)CCSC 1626a_200000211371_100000174002 [0,1,0,0,0,0|2,0,0]=3 3942 B14R0.493 CCCCOCCCNC(=O)CCSC 240690a_200000211371_100000174002 [0,1,0,0,0,0|2,0,0]=3 3943 B14R0.493 CCCCOCCCNC(=O)CCSC 527a_200000211371_100000174002 [0,1,0,0,0,0|2,0,0]=3 3944 B14R0.493 CCCCOCCCNC(=O)COCC 1626a_200000211371_100000211967 [0,1,0,0,0,0|2,0,0]=3 3945 B14R0.493 CCCCOCCCNC(=O)COCC 240690a_200000211371_100000211967 [0,1,0,0,0,0|2,0,0]=3 3946 B14R0.493 CCCCOCCCNC(=O)COCC 527a_200000211371_100000211967 [0,1,0,0,0,0|2,0,0]=3 3947 B14R0.493 CCCCOCCCNC(=O)CSCC 1626a_200000211371_100000230394 [0,1,0,0,0,0|2,0,0]=3 3948 B14R0.493 CCCCOCCCNC(=O)CSCC 240690a_200000211371_100000230394 [0,1,0,0,0,0|2,0,0]=3 3949 B14R0.493 CCCCOCCCNC(=O)CSCC 527a_200000211371_100000230394 [0,1,0,0,0,0|2,0,0]=3 3950 B14R0.493 CCCCOCCCNC(=O)NCCC 2708a_100020643023_200000211371 [0,1,0,0,0,0|2,0,0]=3 3951 B14R0.493 CCCCOCCCNC(=O)NCCC 2708a_200000211371_100020643023 [0,1,0,0,0,0|2,0,0]=3 3952 B14R0.493 CCCCOCCCNC(=O)NCCC 273464a_100020643023_200000211371 [0,1,0,0,0,0|2,0,0]=3 3953 B14R0.493 CCCCOCCCNC(=O)NCCC 273464a_200000211371_100020643023 [0,1,0,0,0,0|2,0,0]=3 3954 B14R0.493 CCCCOCCCNC(=O)NCCC 512a_100020643023_200000211371 [0,1,0,0,0,0|2,0,0]=3 3955 B14R0.493 CCCCOCCCNC(=O)NCCC 512a_200000211371_100020643023 [0,1,0,0,0,0|2,0,0]=3 3956 B14R0.493 CCCCOCCCNC(=O)NCCF 2708a_200000211371_100000724931 [0,1,0,0,0,0|3,0,0]=4 3957 B14R0.493 CCCCOCCCNC(=O)NCCF 273464a_100000724931_200000211371 [0,1,0,0,0,0|3,0,0]=4 3958 B14R0.493 CCCCOCCCNC(=O)NCCF 273464a_200000211371_100000724931 [0,1,0,0,0,0|3,0,0]=4 3959 B14R0.493 CCCCOCCCNC(=O)NCCF 512a_200000211371_100000724931 [0,1,0,0,0,0|3,0,0]=4 3960 B14R0.493 CCCCOCCCNC(=O)NCCO 2708a_200000211371_100000210304 [0,1,0,0,0,0|3,0,0]=4 3961 B14R0.493 CCCCOCCCNC(=O)NCCO 273464a_100000210304_200000211371 [0,1,0,0,0,0|3,0,0]=4 3962 B14R0.493 CCCCOCCCNC(=O)NCCO 273464a_200000211371_100000210304 [0,1,0,0,0,0|3,0,0]=4 3963 B14R0.493 CCCCOCCCNC(=O)NCCO 512a_200000211371_100000210304 [0,1,0,0,0,0|3,0,0]=4 3964 B14R0.493 CCCCOCCCNC(=O)NNCC 273464a_200000211371_100000756455 [0,1,0,0,0,0|3,0,0]=4 3965 B14R0.493 CCCCOCCCNC(=O)NNCC 512a_100000756455_200000211371 [0,1,0,0,0,0|3,0,0]=4 3966 B14R0.493 CCCCOCCCNC(=O)NNCC 512a_200000211371_100000756455 [0,1,0,0,0,0|3,0,0]=4 3967 B14R0.493 CCCCOCCCOC(C)CCCC 34a_200011215613_200011215066 [0,1,0,0,0,0|2,0,1]=4 3968 B14R0.493 CCCCOCCCOC(C)CCCC 7a_200011215613_200011215066 [0,1,0,0,0,0|2,0,1]=4 3969 B14R0.493 CCCCOCCNCC(=O)NCCC 2230a_100000174927_100000743108 [0,1,0,0,0,0|3,0,0]=4 3970 B14R0.493 CCCCOCCOCC(=O)CCCC 1458a_100011216887_100000210211 [0,1,0,0,0,0|3,0,0]=4 3971 B14R0.493 CCCCOCCOCC(=O)CCCF 1458a_100011216887_100011934791 [0,1,0,0,0,0|3,0,0]=4 3972 B14R0.493 CCCCOCCOCC(=O)CCCO 1458a_100011216887_100011215043 [0,1,0,0,0,0|3,0,0]=4 3973 B14R0.493 CCCCOCCOCC(=O)CCOC 1458a_100011216887_100000233755 [0,1,0,0,0,0|3,0,0]=4 3974 B14R0.493 CCCCOCCOCC(=O)CCSC 1458a_100011216887_100000751147 [0,1,0,0,0,0|3,0,0]=4 3975 B14R0.493 CCCCOCCOCC(=O)NCCC 11a_100020643023_100011216887 [0,1,0,0,0,0|3,0,0]=4 3976 B14R0.493 CCCCOCCOCC(=O)NCCC 1626a_100020643023_100011216887 [0,1,0,0,0,0|3,0,0]=4 3977 B14R0.493 CCCCOCCOCC(=O)NCCC 240690a_100020643023_100011216887 [0,1,0,0,0,0|3,0,0]=4 3978 B14R0.493 CCCCOCCOCC(=O)NCCC 34a_100000210238_100000183358 [0,1,0,0,0,0|3,0,0]=4 3979 B14R0.493 CCCCOCCOCC(=O)NCCC 527a_100020643023_100011216887 [0,1,0,0,0,0|3,0,0]=4 3980 B14R0.493 CCCCOCCOCC(=O)NCCC 7a_100000210238_100000183358 [0,1,0,0,0,0|3,0,0]=4 3981 B14R0.493 CCCCOCCOCC(=O)OCCC 34a_100000210238_200011215008 [0,1,0,0,0,0|3,0,0]=4 3982 B14R0.493 CCCCOCCOCC(=O)OCCC 7a_100000210238_200011215008 [0,1,0,0,0,0|3,0,0]=4 3983 B14R0.493 CCCCOCCSCC(=O)NCCC 62a_100000183358_100000743108 [0,1,0,0,0,0|3,0,0]=4 3984 B14R0.493 CCCCOCCSCC(=O)NCCC 62a_100000743108_100000183358 [0,1,0,0,0,0|3,0,0]=4 3985 B14R0.493 CCCCOCCSCC(=O)OCCC 62a_100000743108_200011215008 [0,1,0,0,0,0|3,0,0]=4 3986 B14R0.493 CCCCOCCSCC(=O)OCCC 62a_200011215008_100000743108 [0,1,0,0,0,0|3,0,0]=4 3987 B14R0.493 CCCCOCSCOC(=O)OCCC 62a_100011995733_200000139673 [0,1,0,0,0,0|2,0,0]=3 3988 B14R0.493 CCCCSCCNCC(=O)NCCC 2230a_100025743550_100000183358 [0,1,0,0,0,0|3,0,0]=4 3989 B14R0.493 CCCCSCCNCC(=O)OCCC 2230a_100025743550_200011215008 [0,1,0,0,0,0|3,0,0]=4 3990 B14R0.493 CCCCSCCOCC(=O)NCCC 34a_200000230436_100000183358 [0,1,0,0,0,0|3,0,0]=4 3991 B14R0.493 CCCCSCCOCC(=O)NCCC 7a_200000230436_100000183358 [0,1,0,0,0,0|3,0,0]=4 3992 B14R0.493 CCCCSCCOCC(=O)OCCC 34a_200000230436_200011215008 [0,1,0,0,0,0|3,0,0]=4 3993 B14R0.493 CCCCSCCOCC(=O)OCCC 7a_200000230436_200011215008 [0,1,0,0,0,0|3,0,0]=4 3994 B14R0.493 CCCNC(=O)CCCCCCCCO 240690a_100020643023_100000015970 [0,1,0,0,0,0|2,0,0]=3 3995 B14R0.493 CCCNC(=O)CCCNCCCCO 2230a_100000750430_100011194427 [0,1,0,0,0,0|3,0,0]=4 3996 B14R0.493 CCCNC(=O)CCCNCCCSC 2230a_100000749238_100011194427 [0,1,0,0,0,0|3,0,0]=4 3997 B14R0.493 CCCNC(=O)CCCNCCOCC 2230a_102516460346_100011194427 [0,1,0,0,0,0|3,0,0]=4 3998 B14R0.493 CCCNC(=O)CCCNCCSCC 2230a_100000106463_100011194427 [0,1,0,0,0,0|3,0,0]=4 3999 B14R0.493 CCCNC(=O)CCCOCCCCCl 7a_100000210776_100011194427 [0,1,0,0,0,0|3,0,0]=4 4000 B14R0.493 CCCNC(=O)CCCOCCCCF 7a_100011995726_100011194427 [0,1,0,0,0,0|3,0,0]=4 4001 B14R0.493 CCCNC(=O)CCCOCCCSC 7a_100000690336_100011194427 [0,1,0,0,0,0|3,0,0]=4 4002 B14R0.493 CCCNC(=O)CCCOCCOCC 7a_100000210136_100011194427 [0,1,0,0,0,0|3,0,0]=4 4003 B14R0.493 CCCNC(=O)CCCOCCSCC 7a_100000212035_100011194427 [0,1,0,0,0,0|3,0,0]=4 4004 B14R0.493 CCCNC(=O)CCCSCCCCF 62a_100000729493_100011194427 [0,1,0,0,0,0|3,0,0]=4 4005 B14R0.493 CCCNC(=O)CCCSCCCCF 62a_100011194427_100000729493 [0,1,0,0,0,0|3,0,0]=4 4006 B14R0.493 CCCNC(=O)CCCSCCCCO 62a_100000210776_100011194427 [0,1,0,0,0,0|3,0,0]=4 4007 B14R0.493 CCCNC(=O)CCCSCCCCO 62a_100011194427_100000210776 [0,1,0,0,0,0|3,0,0]=4 4008 B14R0.493 CCCNC(=O)CCCSCCCOC 62a_100000709357_100011194427 [0,1,0,0,0,0|3,0,0]=4 4009 B14R0.493 CCCNC(=O)CCCSCCCOC 62a_100011194427_100000709357 [0,1,0,0,0,0|3,0,0]=4 4010 B14R0.493 CCCNC(=O)CCCSCCOCC 62a_100000210147_100011194427 [0,1,0,0,0,0|3,0,0]=4 4011 B14R0.493 CCCNC(=O)CCCSCCOCC 62a_100011194427_100011215890 [0,1,0,0,0,0|3,0,0]=4 4012 B14R0.493 CCCNC(=O)CCCSCCSCC 62a_100000757381_100011194427 [0,1,0,0,0,0|3,0,0]=4 4013 B14R0.493 CCCNC(=O)CCCSCCSCC 62a_100011194427_100000757381 [0,1,0,0,0,0|3,0,0]=4 4014 B14R0.493 CCCNC(=O)CNCCCCCCF 2230a_100000174927_100015922095 [0,1,0,0,0,0|3,0,0]=4 4015 B14R0.493 CCCNC(=O)CNCCCCCCO 2230a_100000174927_100000766143 [0,1,0,0,0,0|3,0,0]=4 4016 B14R0.493 CCCNC(=O)CNCCCCCCO 2230a_100000686447_100000183358 [0,1,0,0,0,0|3,0,0]=4 4017 B14R0.493 CCCNC(=O)CNCCCCCCO 34a_100000686447_100000183358 [0,1,0,0,0,0|3,0,0]=4 4018 B14R0.493 CCCNC(=O)CNCCCCCOC 2230a_100000747528_100000183358 [0,1,0,0,0,0|3,0,0]=4 4019 B14R0.493 CCCNC(=O)CNCCCCCOC 34a_100000747528_100000183358 [0,1,0,0,0,0|3,0,0]=4 4020 B14R0.493 CCCNC(=O)CNCCCOCCC 2230a_100011217757_100000183358 [0,1,0,0,0,0|3,0,0]=4 4021 B14R0.493 CCCNC(=O)CNCCCOCCC 34a_100011217757_100000183358 [0,1,0,0,0,0|3,0,0]=4 4022 B14R0.493 CCCNC(=O)COCCCCCCBr 34a_100011215345_100000183358 [0,1,0,0,0,0|3,0,0]=4 4023 B14R0.493 CCCNC(=O)COCCCCCCBr 7a_100011215345_100000183358 [0,1,0,0,0,0|3,0,0]=4 4024 B14R0.493 CCCNC(=O)COCCCCCCCl 34a_100000766143_100000183358 [0,1,0,0,0,0|3,0,0]=4 4025 B14R0.493 CCCNC(=O)COCCCCCCCl 7a_100000766143_100000183358 [0,1,0,0,0,0|3,0,0]=4 4026 B14R0.493 CCCNC(=O)COCCCCCCF 34a_100000732779_100000183358 [0,1,0,0,0,0|3,0,0]=4 4027 B14R0.493 CCCNC(=O)COCCCCCCF 7a_100000732779_100000183358 [0,1,0,0,0,0|3,0,0]=4 4028 B14R0.493 CCCNC(=O)COCCCCCCN 34a_100000686447_100000183358 [0,1,0,0,0,0|3,0,0]=4 4029 B14R0.493 CCCNC(=O)COCCCCCNC 34a_100000722520_100000183358 [0,1,0,0,0,0|3,0,0]=4 4030 B14R0.493 CCCNC(=O)CSCCCCCCF 62a_100000183358_100015922095 [0,1,0,0,0,0|3,0,0]=4 4031 B14R0.493 CCCNC(=O)CSCCCCCCF 62a_100015922095_100000183358 [0,1,0,0,0,0|3,0,0]=4 4032 B14R0.493 CCCNC(=O)CSCCCCCCO 62a_100000183358_100000766143 [0,1,0,0,0,0|3,0,0]=4 4033 B14R0.493 CCCNC(=O)CSCCCCCCO 62a_100000766143_100000183358 [0,1,0,0,0,0|3,0,0]=4 4034 B14R0.493 CCCNC(=O)NCCCCCCCO 2708a_100011996573_100020643023 [0,1,0,0,0,0|2,0,0]=3 4035 B14R0.493 CCCNC(=O)NCCCCCCCO 2708a_100020643023_100011996573 [0,1,0,0,0,0|2,0,0]=3 4036 B14R0.493 CCCNC(=O)NCCCCCCCO 273464a_100011996573_100020643023 [0,1,0,0,0,0|2,0,0]=3 4037 B14R0.493 CCCNC(=O)NCCCCCCCO 273464a_100020643023_100011996573 [0,1,0,0,0,0|2,0,0]=3 4038 B14R0.493 CCCNC(=O)NCCCCCCCO 512a_100011996573_100020643023 [0,1,0,0,0,0|2,0,0]=3 4039 B14R0.493 CCCNC(=O)NCCCCCCCO 512a_100020643023_100011996573 [0,1,0,0,0,0|2,0,0]=3 4040 B14R0.493 CCCNC(=O)NCCCOCCCO 2708a_100020643023_100011310245 [0,1,0,0,0,0|3,0,0]=4 4041 B14R0.493 CCCNC(=O)NCCCOCCCO 273464a_100011310245_100020643023 [0,1,0,0,0,0|3,0,0]=4 4042 B14R0.493 CCCNC(=O)NCCCOCCCO 273464a_100020643023_100011310245 [0,1,0,0,0,0|3,0,0]=4 4043 B14R0.493 CCCNC(=O)NCCCOCCOC 2708a_100000206027_100020643023 [0,1,0,0,0,0|3,0,0]=4 4044 B14R0.493 CCCNC(=O)NCCCOCCOC 2708a_100020643023_100000206027 [0,1,0,0,0,0|3,0,0]=4 4045 B14R0.493 CCCNC(=O)NCCCOCCOC 273464a_100000206027_100020643023 [0,1,0,0,0,0|3,0,0]=4 4046 B14R0.493 CCCNC(=O)NCCCOCCOC 273464a_100020643023_100000206027 [0,1,0,0,0,0|3,0,0]=4 4047 B14R0.493 CCCNC(=O)NCCOCCOCC 2708a_100020643023_100102712874 [0,1,0,0,0,0|3,0,0]=4 4048 B14R0.493 CCCNC(=O)NCCOCCOCC 2708a_100102712874_100020643023 [0,1,0,0,0,0|3,0,0]=4 4049 B14R0.493 CCCNC(=O)NCCOCCOCC 273464a_100020643023_100102712874 [0,1,0,0,0,0|3,0,0]=4 4050 B14R0.493 CCCNC(=O)NCCOCCOCC 273464a_100102712874_100020643023 [0,1,0,0,0,0|3,0,0]=4 4051 B14R0.493 CCCNC(=O)NCCOCCOCC 512a_100102712874_100020643023 [0,1,0,0,0,0|3,0,0]=4 4052 B14R0.493 CCCOC(=O)CNCCCCCCO 2230a_100000686447_200011215008 [0,1,0,0,0,0|3,0,0]=4 4053 B14R0.493 CCCOC(=O)CNCCCCCCO 34a_100000686447_200011215008 [0,1,0,0,0,0|3,0,0]=4 4054 B14R0.493 CCCOC(=O)CNCCCCCOC 2230a_100000747528_200011215008 [0,1,0,0,0,0|3,0,0]=4 4055 B14R0.493 CCCOC(=O)CNCCCCCOC 34a_100000747528_200011215008 [0,1,0,0,0,0|3,0,0]=4 4056 B14R0.493 CCCOC(=O)COCCCCCCBr 34a_100011215345_200011215008 [0,1,0,0,0,0|3,0,0]=4 4057 B14R0.493 CCCOC(=O)COCCCCCCBr 7a_100011215345_200011215008 [0,1,0,0,0,0|3,0,0]=4 4058 B14R0.493 CCCOC(=O)COCCCCCCCl 34a_100000766143_200011215008 [0,1,0,0,0,0|3,0,0]=4 4059 B14R0.493 CCCOC(=O)COCCCCCCCl 7a_100000766143_200011215008 [0,1,0,0,0,0|3,0,0]=4 4060 B14R0.493 CCCOC(=O)COCCCCCCF 34a_100000732779_200011215008 [0,1,0,0,0,0|3,0,0]=4 4061 B14R0.493 CCCOC(=O)COCCCCCCF 7a_100000732779_200011215008 [0,1,0,0,0,0|3,0,0]=4 4062 B14R0.493 CCCOC(=O)COCCCCCCN 34a_100000686447_200011215008 [0,1,0,0,0,0|3,0,0]=4 4063 B14R0.493 CCCOC(=O)COCCCCCNC 34a_100000722520_200011215008 [0,1,0,0,0,0|3,0,0]=4 4064 B14R0.493 CCCOC(=O)CSCCCCCCF 62a_100015922095_200011215008 [0,1,0,0,0,0|3,0,0]=4 4065 B14R0.493 CCCOC(=O)CSCCCCCCF 62a_200011215008_100015922095 [0,1,0,0,0,0|3,0,0]=4 4066 B14R0.493 CCCOC(=O)CSCCCCCCO 62a_100000766143_200011215008 [0,1,0,0,0,0|3,0,0]=4 4067 B14R0.493 CCCOC(=O)CSCCCCCCO 62a_200011215008_100000766143 [0,1,0,0,0,0|3,0,0]=4 4068 B14R0.493 CCCOC(=O)OCNCCCCCO 34a_100000762737_200000139673 [0,1,0,0,0,0|2,0,0]=3 4069 B14R0.493 CCCOC(=O)OCNCCCOCC 34a_100000210961_200000139673 [0,1,0,0,0,0|2,0,0]=3 4070 B14R0.493 CCCOC(=O)OCNCCOCCO 34a_100000211614_200000139673 [0,1,0,0,0,0|3,0,0]=4 4071 B14R0.493 CCCOC(=O)OCOCCCCCBr 34a_100000746331_200000139673 [0,1,0,0,0,0|2,0,0]=3 4072 B14R0.493 CCCOC(=O)OCOCCCCCBr 7a_100000746331_200000139673 [0,1,0,0,0,0|2,0,0]=3 4073 B14R0.493 CCCOC(=O)OCOCCCCCCl 34a_100000746330_200000139673 [0,1,0,0,0,0|2,0,0]=3 4074 B14R0.493 CCCOC(=O)OCOCCCCCCl 7a_100000746330_200000139673 [0,1,0,0,0,0|2,0,0]=3 4075 B14R0.493 CCCOC(=O)OCOCCCCCI 34a_200012148887_200000139673 [0,1,0,0,0,0|2,0,0]=3 4076 B14R0.493 CCCOC(=O)OCOCCCCCI 7a_200012148887_200000139673 [0,1,0,0,0,0|2,0,0]=3 4077 B14R0.493 CCCOC(=O)OCOCCCCCN 34a_100000762737_200000139673 [0,1,0,0,0,0|2,0,0]=3 4078 B14R0.493 CCCOC(=O)OCOCCCCOC 34a_100000740925_200000139673 [0,1,0,0,0,0|2,0,0]=3 4079 B14R0.493 CCCOC(=O)OCOCCCCSC 34a_100011217163_200000139673 [0,1,0,0,0,0|2,0,0]=3 4080 B14R0.493 CCCOC(=O)OCOCCCCSC 7a_100011217163_200000139673 [0,1,0,0,0,0|2,0,0]=3 4081 B14R0.493 CCCOC(=O)OCOCCCOCC 34a_100000757476_200000139673 [0,1,0,0,0,0|2,0,0]=3 4082 B14R0.493 CCCOC(=O)OCOCCCOCC 7a_100000757476_200000139673 [0,1,0,0,0,0|2,0,0]=3 4083 B14R0.493 CCCOC(=O)OCOCCCSCC 34a_100011216438_200000139673 [0,1,0,0,0,0|2,0,0]=3 4084 B14R0.493 CCCOC(=O)OCOCCCSCC 7a_100011216438_200000139673 [0,1,0,0,0,0|2,0,0]=3 4085 B14R0.493 CCCOC(=O)OCOCCOCCBr 34a_100000692535_200000139673 [0,1,0,0,0,0|3,0,0]=4 4086 B14R0.493 CCCOC(=O)OCOCCOCCBr 7a_100000692535_200000139673 [0,1,0,0,0,0|3,0,0]=4 4087 B14R0.493 CCCOC(=O)OCOCCOCCCl 34a_100011215305_200000139673 [0,1,0,0,0,0|3,0,0]=4 4088 B14R0.493 CCCOC(=O)OCOCCOCCCl 7a_100011215305_200000139673 [0,1,0,0,0,0|3,0,0]=4 4089 B14R0.493 CCCOC(=O)OCOCCOCCF 34a_200015357709_200000139673 [0,1,0,0,0,0|3,0,0]=4 4090 B14R0.493 CCCOC(=O)OCOCCOCCF 7a_200015357709_200000139673 [0,1,0,0,0,0|3,0,0]=4 4091 B14R0.493 CCCOC(=O)OCOCCOCCI 34a_100012149058_200000139673 [0,1,0,0,0,0|3,0,0]=4 4092 B14R0.493 CCCOC(=O)OCOCCOCCI 7a_100012149058_200000139673 [0,1,0,0,0,0|3,0,0]=4 4093 B14R0.493 CCCOC(=O)OCOCCOCCN 34a_100000211614_200000139673 [0,1,0,0,0,0|3,0,0]=4 4094 B14R0.493 CCCOC(=O)OCOCCSCCC 34a_200000230433_200000139673 [0,1,0,0,0,0|2,0,0]=3 4095 B14R0.493 CCCOC(=O)OCOCCSCCC 7a_200000230433_200000139673 [0,1,0,0,0,0|2,0,0]=3 4096 B14R0.493 CCCOC(=O)OCSCCCCC#N 62a_100011219923_200000139673 [0,1,0,0,0,0|2,0,1]=4 4097 B14R0.493 CCCOC(=O)OCSCCCCC=O 62a_100000139335_200000139673 [0,1,0,0,0,0|2,0,1]=4 4098 B14R0.493 CCCOC(=O)OCSCCCCCF 62a_100000729378_200000139673 [0,1,0,0,0,0|2,0,0]=3 4099 B14R0.493 CCCOC(=O)OCSCCCCCO 62a_100000746330_200000139673 [0,1,0,0,0,0|2,0,0]=3 4100 B14R0.493 CCCOC(=O)OCSCCCCOC 62a_100000730899_200000139673 [0,1,0,0,0,0|2,0,0]=3 4101 B14R0.493 CCCOC(=O)OCSCCCOCC 62a_100012232248_200000139673 [0,1,0,0,0,0|2,0,0]=3 4102 B14R0.493 CCCOC(=O)OCSCCOCCO 62a_100011215305_200000139673 [0,1,0,0,0,0|3,0,0]=4 4103 B14R0.493 CCCOC(=O)OCSCOCCOC 62a_100000231047_200000139673 [0,1,0,0,0,0|3,0,0]=4 4104 B14R0.493 CCCOCCCNCC(=O)OCCC 2230a_100011217757_200011215008 [0,1,0,0,0,0|3,0,0]=4 4105 B14R0.493 CCCOCCCNCC(=O)OCCC 34a_100011217757_200011215008 [0,1,0,0,0,0|3,0,0]=4 4106 B14R0.493 CCCOCCNCOC(=O)OCCC 34a_100161115042_200000139673 [0,1,0,0,0,0|2,0,0]=3 4107 B14R0.493 CCCOCCOCOC(=O)OCCC 34a_100000752267_200000139673 [0,1,0,0,0,0|2,0,0]=3 4108 B14R0.493 CCCOCCOCOC(=O)OCCC 7a_100000752267_200000139673 [0,1,0,0,0,0|2,0,0]=3 4109 B14R0.493 CCCOCCSCOC(=O)OCCC 62a_100011215938_200000139673 [0,1,0,0,0,0|2,0,0]=3 4110 B14R0.493 CCNNC(=O)CCCCCCCCO 22a_100000756455_100000015970 [0,1,0,0,0,0|3,0,0]=4 4111 B14R0.493 CCNNC(=O)NCCCCCCCO 273464a_100011996573_100000756455 [0,1,0,0,0,0|3,0,0]=4 4112 B14R0.493 CCNNC(=O)NCCCCCCCO 512a_100000756455_100011996573 [0,1,0,0,0,0|3,0,0]=4 4113 B14R0.493 CCNNC(=O)NCCCCCCCO 512a_100011996573_100000756455 [0,1,0,0,0,0|3,0,0]=4 4114 B14R0.493 CCOCC(=O)CCCCCCCCO 1458a_100000211967_100000033203 [0,1,0,0,0,0|2,0,0]=3 4115 B14R0.493 CCOCC(=O)NCCCCCCCO 240690a_100011996573_100000211967 [0,1,0,0,0,0|2,0,0]=3 4116 B14R0.493 CCOCC(=O)NCCCOCCCO 240690a_100011310245_100000211967 [0,1,0,0,0,0|3,0,0]=4 4117 B14R0.493 CCOCC(=O)NCCCOCCOC 1626a_100000206027_100000211967 [0,1,0,0,0,0|3,0,0]=4 4118 B14R0.493 CCOCC(=O)NCCCOCCOC 240690a_100000206027_100000211967 [0,1,0,0,0,0|3,0,0]=4 4119 B14R0.493 CCOCC(C)OCCCCCCCO 34a_100000718985_100000760002 [0,1,0,0,0,0|2,0,1]=4 4120 B14R0.493 CCOCC(C)OCCCCCCCO 7a_100000718985_100000760002 [0,1,0,0,0,0|2,0,1]=4 4121 B14R0.493 CCOCC(C)OCCCCCCOC 34a_100000718985_100011998445 [0,1,0,0,0,0|2,0,1]=4 4122 B14R0.493 CCOCC(C)OCCCCCCOC 7a_100000718985_100011998445 [0,1,0,0,0,0|2,0,1]=4 4123 B14R0.493 CCOCCOCCNC(=O)CCOC 11a_100102712874_100000749529 [0,1,0,0,0,0|3,0,0]=4 4124 B14R0.493 CCOCCOCCNC(=O)CCOC 1626a_100102712874_100000749529 [0,1,0,0,0,0|3,0,0]=4 4125 B14R0.493 CCOCCOCCNC(=O)CCOC 240690a_100102712874_100000749529 [0,1,0,0,0,0|3,0,0]=4 4126 B14R0.493 CCOCCOCCNC(=O)CCOC 527a_100102712874_100000749529 [0,1,0,0,0,0|3,0,0]=4 4127 B14R0.493 CCOCCOCCNC(=O)CCSC 11a_100102712874_100000174002 [0,1,0,0,0,0|3,0,0]=4 4128 B14R0.493 CCOCCOCCNC(=O)CCSC 1626a_100102712874_100000174002 [0,1,0,0,0,0|3,0,0]=4 4129 B14R0.493 CCOCCOCCNC(=O)CCSC 240690a_100102712874_100000174002 [0,1,0,0,0,0|3,0,0]=4 4130 B14R0.493 CCOCCOCCNC(=O)CCSC 527a_100102712874_100000174002 [0,1,0,0,0,0|3,0,0]=4 4131 B14R0.493 CCOCCOCCNC(=O)COCC 11a_100102712874_100000211967 [0,1,0,0,0,0|3,0,0]=4 4132 B14R0.493 CCOCCOCCNC(=O)COCC 1626a_100102712874_100000211967 [0,1,0,0,0,0|3,0,0]=4 4133 B14R0.493 CCOCCOCCNC(=O)COCC 240690a_100102712874_100000211967 [0,1,0,0,0,0|3,0,0]=4 4134 B14R0.493 CCOCCOCCNC(=O)COCC 527a_100102712874_100000211967 [0,1,0,0,0,0|3,0,0]=4 4135 B14R0.493 CCOCCOCCNC(=O)CSCC 11a_100102712874_100000230394 [0,1,0,0,0,0|3,0,0]=4 4136 B14R0.493 CCOCCOCCNC(=O)CSCC 1626a_100102712874_100000230394 [0,1,0,0,0,0|3,0,0]=4 4137 B14R0.493 CCOCCOCCNC(=O)CSCC 240690a_100102712874_100000230394 [0,1,0,0,0,0|3,0,0]=4 4138 B14R0.493 CCOCCOCCNC(=O)CSCC 527a_100102712874_100000230394 [0,1,0,0,0,0|3,0,0]=4 4139 B14R0.493 CCSCC(=O)CCCCCCCCO 1458a_100000230394_100000033203 [0,1,0,0,0,0|2,0,0]=3 4140 B14R0.493 CCSCC(=O)NCCCCCCCO 240690a_100011996573_100000230394 [0,1,0,0,0,0|2,0,0]=3 4141 B14R0.493 CCSCC(=O)NCCCOCCCO 240690a_100011310245_100000230394 [0,1,0,0,0,0|3,0,0]=4 4142 B14R0.493 CCSCC(=O)NCCCOCCOC 1626a_100000206027_100000230394 [0,1,0,0,0,0|3,0,0]=4 4143 B14R0.493 CCSCC(=O)NCCCOCCOC 240690a_100000206027_100000230394 [0,1,0,0,0,0|3,0,0]=4 4144 B14R0.493 COCCC(=O)CCCCCCCCO 1458a_100000749529_100000033203 [0,1,0,0,0,0|2,0,0]=3 4145 B14R0.493 COCCC(=O)NCCCCCCCO 240690a_100011996573_100000749529 [0,1,0,0,0,0|2,0,0]=3 4146 B14R0.493 COCCC(=O)NCCCOCCCO 240690a_100011310245_100000749529 [0,1,0,0,0,0|3,0,0]=4 4147 B14R0.493 COCCCCCCOC(C)CCCCl 34a_200000718107_100011998445 [0,1,0,0,0,0|2,0,1]=4 4148 B14R0.493 COCCCCCCOC(C)CCCCl 7a_200000718107_100011998445 [0,1,0,0,0,0|2,0,1]=4 4149 B14R0.493 COCCOCCCNC(=O)CCOC 1626a_100000206027_100000749529 [0,1,0,0,0,0|3,0,0]=4 4150 B14R0.493 COCCOCCCNC(=O)CCOC 240690a_100000206027_100000749529 [0,1,0,0,0,0|3,0,0]=4 4151 B14R0.493 COCCOCCCNC(=O)CCSC 1626a_100000206027_100000174002 [0,1,0,0,0,0|3,0,0]=4 4152 B14R0.493 COCCOCCCNC(=O)CCSC 240690a_100000206027_100000174002 [0,1,0,0,0,0|3,0,0]=4 4153 B14R0.493 CSCCC(=O)CCCCCCCCO 1458a_100000174002_100000033203 [0,1,0,0,0,0|2,0,0]=3 4154 B14R0.493 CSCCC(=O)NCCCCCCCO 240690a_100011996573_100000174002 [0,1,0,0,0,0|2,0,0]=3 4155 B14R0.493 CSCCC(=O)NCCCOCCCO 240690a_100011310245_100000174002 [0,1,0,0,0,0|3,0,0]=4 4156 B14R0.493 N#CCCC(=O)CCCCCCCCO 1458a_100011934036_100000033203 [0,1,0,0,0,0|2,0,1]=4 4157 B14R0.493 N#CCCC(=O)NCCCCCCCO 240690a_100011996573_100011934036 [0,1,0,0,0,0|2,0,1]=4 4158 B14R0.493 O=C(CCCCCCCCO)NCCF 240690a_100000724931_100000015970 [0,1,0,0,0,0|3,0,0]=4 4159 B14R0.493 O=C(CCCCCCCCO)NCCO 240690a_100000210304_100000015970 [0,1,0,0,0,0|3,0,0]=4 4160 B14R0.493 O=C(NCCF)NCCCCCCCO 2708a_100011996573_100000724931 [0,1,0,0,0,0|3,0,0]=4 4161 B14R0.493 O=C(NCCF)NCCCCCCCO 273464a_100000724931_100011996573 [0,1,0,0,0,0|3,0,0]=4 4162 B14R0.493 O=C(NCCF)NCCCCCCCO 273464a_100011996573_100000724931 [0,1,0,0,0,0|3,0,0]=4 4163 B14R0.493 O=C(NCCF)NCCCCCCCO 512a_100011996573_100000724931 [0,1,0,0,0,0|3,0,0]=4 4164 B14R0.493 O=C(NCCO)NCCCCCCCO 2708a_100011996573_100000210304 [0,1,0,0,0,0|3,0,0]=4 4165 B14R0.493 O=C(NCCO)NCCCCCCCO 273464a_100000210304_100011996573 [0,1,0,0,0,0|3,0,0]=4 4166 B14R0.493 O=C(NCCO)NCCCCCCCO 273464a_100011996573_100000210304 [0,1,0,0,0,0|3,0,0]=4 4167 B14R0.493 O=C(NCCO)NCCCCCCCO 512a_100011996573_100000210304 [0,1,0,0,0,0|3,0,0]=4 4168 B14R0.1390 CCCC(C)(C)OCCCCCCCO 7a_100000748436_100000760002 [0,1,0,0,0,0|2,0,1]=4 4169 B14R0.1390 CCCC(C)(C)OCCCCCCOC 7a_100000748436_100011998445 [0,1,0,0,0,0|2,0,1]=4 4170 B14R0.1390 CCCCCCCCNS(=O)(=O)CCBr 270084a_100000229939_100000731045 [0,1,0,0,0,0|3,0,0]=4 4171 B14R0.1390 CCCCCCCCNS(=O)(=O)CCBr 274078a_100000229939_100000731045 [0,1,0,0,0,0|3,0,0]=4 4172 B14R0.1390 CCCCCCCCNS(=O)(=O)CCC 270084a_100000229939_100000211391 [0,1,0,0,0,0|2,0,0]=3 4173 B14R0.1390 CCCCCCCCNS(=O)(=O)CCC 274078a_100000229939_100000211391 [0,1,0,0,0,0|2,0,0]=3 4174 B14R0.1390 CCCCCCCCNS(=O)(=O)CCC 40a_100000229939_100000054278 [0,1,0,0,0,0|2,0,0]=3 4175 B14R0.1390 CCCCCCCCNS(=O)(=O)CCCl 270084a_100000229939_100000184613 [0,1,0,0,0,0|3,0,0]=4 4176 B14R0.1390 CCCCCCCCNS(=O)(=O)CCCl 274078a_100000229939_100000184613 [0,1,0,0,0,0|3,0,0]=4 4177 B14R0.1390 CCCCCCCCOC(C)(C)CCBr 7a_100000702414_100000210759 [0,1,0,0,0,0|2,0,1]=4 4178 B14R0.1390 CCCCCCCCOC(C)(C)CCC 7a_100000748436_100000210759 [0,1,0,0,0,0|1,0,1]=3 4179 B14R0.1390 CCCCOCCCNS(=O)(=O)CCC 270084a_200000211371_100000211391 [0,1,0,0,0,0|3,0,0]=4 4180 B14R0.1390 CCCCOCCCNS(=O)(=O)CCC 274078a_200000211371_100000211391 [0,1,0,0,0,0|3,0,0]=4 4181 B14R0.1390 CCCCOCCCNS(=O)(=O)CCC 40a_200000211371_100000054278 [0,1,0,0,0,0|3,0,0]=4 4182 B14R0.1390 CCCS(=O)(=O)NCCCCCCCO 270084a_100011996573_100000211391 [0,1,0,0,0,0|3,0,0]=4 4183 B14R0.1390 CCCS(=O)(=O)NCCCCCCCO 274078a_100011996573_100000211391 [0,1,0,0,0,0|3,0,0]=4 4184 B14R0.1390 CCCS(=O)(=O)NCCCCCCCO 40a_100011996573_100000054278 [0,1,0,0,0,0|3,0,0]=4 4185 B14R0.2432 CCC#CCC(C)OCOC(=O)CCC 34a_200000035118_100000034017 [0,1,0,0,0,0|1,0,2]=4 4186 B14R0.2432 CCCC(=O)OCOC(C)CCCOC 34a_200011539412_100000034017 [0,1,0,0,0,0|2,0,0]=3 4187 B14R0.2432 CCCCCC(=O)CCCC(=O)NCC 1458a_100000199580_100000210326 [0,1,0,0,0,0|2,0,1]=4 4188 B14R0.2432 CCCCCC(=O)CCCC(=O)OCC 1458a_100000210991_100000210326 [0,1,0,0,0,0|2,0,1]=4 4189 B14R0.2432 CCCCCC(=O)CCCC(=O)OCC 1458a_100000212188_100011215271 [0,1,0,0,0,0|2,0,1]=4 4190 B14R0.2432 CCCCCC(=O)CCNC(=O)OCC 1458a_100000212188_200011445536 [0,1,0,0,0,0|2,0,1]=4 4191 B14R0.2432 CCCCCC(=O)CSCC(=O)CCC 62a_100000747444_200012276598 [0,1,0,0,0,0|2,0,1]=4 4192 B14R0.2432 CCCCCC(=O)CSCC(=O)CCC 62a_200012276598_100000747444 [0,1,0,0,0,0|2,0,1]=4 4193 B14R0.2432 CCCCCC(C)NCCC(=O)NCC 2230a_100000211957_100000737597 [0,1,0,0,0,0|3,0,0]=4 4194 B14R0.2432 CCCCCC(C)NCCC(=O)NCC 270004a_100025743525_100000211708 [0,1,0,0,0,0|3,0,0]=4 4195 B14R0.2432 CCCCCC(C)NCCC(=O)NCC 34a_100025743525_200011218191 [0,1,0,0,0,0|3,0,0]=4 4196 B14R0.2432 CCCCCC(C)NCCC(=O)OCC 2230a_100000211957_100011206558 [0,1,0,0,0,0|3,0,0]=4 4197 B14R0.2432 CCCCCC(C)NCOC(=O)CCC 2230a_100000211957_100000034017 [0,1,0,0,0,0|1,0,0]=2 4198 B14R0.2432 CCCCCC(C)OCCC(=O)NCC 7a_100011215632_100000737597 [0,1,0,0,0,0|3,0,0]=4 4199 B14R0.2432 CCCCCC(C)OCCC(=O)OCC 34a_100011215632_100000765890 [0,1,0,0,0,0|3,0,0]=4 4200 B14R0.2432 CCCCCC(C)OCCC(=O)OCC 7a_100011215632_100011206558 [0,1,0,0,0,0|3,0,0]=4 4201 B14R0.2432 CCCCCC(C)OCOC(=O)CCC 34a_100011215632_100000034017 [0,1,0,0,0,0|1,0,0]=2 4202 B14R0.2432 CCCCCC(C)SCCC(=O)NCC 62a_100000737597_200011218191 [0,1,0,0,0,0|3,0,0]=4 4203 B14R0.2432 CCCCCC(C)SCCC(=O)NCC 62a_200011218191_100000737597 [0,1,0,0,0,0|3,0,0]=4 4204 B14R0.2432 CCCCCC(C)SCCC(=O)OCC 62a_100000765890_200011218191 [0,1,0,0,0,0|3,0,0]=4 4205 B14R0.2432 CCCCCC(C)SCCC(=O)OCC 62a_200011218191_100000765890 [0,1,0,0,0,0|3,0,0]=4 4206 B14R0.2432 CCCCCC(C)SCOC(=O)CCC 62a_200011218191_100000034017 [0,1,0,0,0,0|1,0,0]=2 4207 B14R0.2432 CCCCCC(C)SCOC(=O)OCC 62a_200011218191_100000075025 [0,1,0,0,0,0|2,0,0]=3 4208 B14R0.2432 CCCCCC(O)CCCC(=O)NCC 240690a_100015525214_100020618878 [0,1,0,0,0,0|2,0,0]=3 4209 B14R0.2432 CCCCCC(O)CCCC(=O)NCC 527a_100015525214_100020618878 [0,1,0,0,0,0|2,0,0]=3 4210 B14R0.2432 CCCCCC(O)CCCC(=O)NNC 22a_100016993582_100020618878 [0,1,0,0,0,0|3,0,0]=4 4211 B14R0.2432 CCCCCN(C)CCCC(=O)OCC 2230a_100000223495_100009991533 [0,1,0,0,0,0|3,0,0]=4 4212 B14R0.2432 CCCCCN(C)CCCC(=O)OCC 269982a_100000223495_100009991533 [0,1,0,0,0,0|3,0,0]=4 4213 B14R0.2432 CCCCCN(C)CCNC(=O)OCC 269982a_100000223495_200011445536 [0,1,0,0,0,0|3,0,0]=4 4214 B14R1.26 CCCCCCCN1CCNC(=O)C1 2230a_100000184651_100000210681 [0,0,0,1,0,0|3,0,0]=4 4215 B14R1.26 CCCCCCCN1CCOC(=O)C1 2230a_100000131268_100000210681 [0,0,0,1,0,0|3,0,0]=4 4216 B14R1.26 CCCCCCNC1CCNC(=O)C1 2230a_100016994916_100000210314 [0,0,0,1,0,0|3,0,0]=4 4217 B14R1.26 CCCCCCNC1CCNC(=O)C1 34a_100016994916_100000210314 [0,0,0,1,0,0|3,0,0]=4 4218 B14R1.26 CCCCCCOC1C=C(CCC1)C 34a_100011218613_100000210314 [0,0,0,1,0,0|3,0,0]=4 4219 B14R1.26 CCCCCCOC1CCCC(=O)C1 34a_100012613340_100000210314 [0,0,0,1,0,0|2,0,0]=3 4220 B14R1.26 CCCCCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210314 [0,0,0,1,0,0|3,0,0]=4 4221 B14R1.26 CCCCCOCC1CCCC(=O)N1 34a_200000102386_100000718602 [0,0,0,1,0,0|2,0,0]=3 4222 B14R1.26 CCCCCOCC1CCNC(=O)C1 34a_100009886756_100000718602 [0,0,0,1,0,0|3,0,0]=4 4223 B14R1.26 CCCCCOCC1COCC(=O)N1 34a_200000101122_100000718602 [0,0,0,1,0,0|3,0,0]=4 4224 B14R1.26 CCCCOCOC1CCCC(=O)C1 34a_100012613340_100011995733 [0,0,0,1,0,0|3,0,0]=4 4225 B14R1.26 CCCOCCOC1CCCC(=O)C1 34a_100012613340_100011215938 [0,0,0,1,0,0|3,0,0]=4 4226 B14R1.26 CCOCCCOC1CCCC(=O)C1 34a_100012613340_100012232248 [0,0,0,1,0,0|3,0,0]=4 4227 B14R1.26 CCOCCOCC1CCCC(=O)N1 34a_200000102386_100000210147 [0,0,0,1,0,0|3,0,0]=4 4228 B14R1.26 CCSCCOCC1CCCC(=O)N1 34a_200000102386_100000757381 [0,0,0,1,0,0|3,0,0]=4 4229 B14R1.26 COCCCCOC1CCCC(=O)C1 34a_100012613340_100000755781 [0,0,0,1,0,0|3,0,0]=4 4230 B14R1.26 COCCCOCC1CCCC(=O)N1 34a_200000102386_100000740836 [0,0,0,1,0,0|3,0,0]=4 4231 B14R1.26 O=C1CCCC(C1)OCCCCCF 34a_100012613340_100000729378 [0,0,0,1,0,0|3,0,0]=4 4232 B14R1.26 O=C1CCCC(C1)OCCCCCO 34a_100012613340_100000746330 [0,0,0,1,0,0|3,0,0]=4 4233 B14R1.26 O=C1CCCC(N1)COCCCCF 34a_200000102386_100000729493 [0,0,0,1,0,0|3,0,0]=4 4234 B14R1.26 O=C1CCCC(N1)COCCCCO 34a_200000102386_100011216708 [0,0,0,1,0,0|3,0,0]=4 4235 B14R1.40 BrCCCCCCCOC1CCCC1 34a_100000760002_100000179811 [0,0,0,1,0,0|2,0,1]=4 4236 B14R1.40 BrCCCCCCCOC1CCCC1 7a_100000760002_100000179811 [0,0,0,1,0,0|2,0,1]=4 4237 B14R1.40 CCCCCCCCCN1CCCC1 2230a_100000188435_100011214924 [0,0,0,1,0,0|3,0,0]=4 4238 B14R1.40 CCCCCCCCCN1CCCC1 269982a_100000188435_100000210670 [0,0,0,1,0,0|3,0,0]=4 4239 B14R1.40 CCCCCCCCNC1CCCC1 2230a_100000211070_100000210759 [0,0,0,1,0,0|2,0,1]=4 4240 B14R1.40 CCCCCCCCNC1CCCC1 2230a_100000229939_100000179811 [0,0,0,1,0,0|2,0,1]=4 4241 B14R1.40 CCCCCCCCNC1CCCC1 270004a_100000229939_100000210133 [0,0,0,1,0,0|2,0,1]=4 4242 B14R1.40 CCCCCCCCNC1CCCC1 34a_100000211070_100000210759 [0,0,0,1,0,0|2,0,1]=4 4243 B14R1.40 CCCCCCCCNC1CCCC1 34a_100000229939_100000179811 [0,0,0,1,0,0|2,0,1]=4 4244 B14R1.40 CCCCCCCCOC1CCCC1 34a_100000210232_100000179811 [0,0,0,1,0,0|1,0,1]=3 4245 B14R1.40 CCCCCCCCOC1CCCC1 34a_100000210269_100000210759 [0,0,0,1,0,0|1,0,1]=3 4246 B14R1.40 CCCCCCCCOC1CCCC1 7a_100000210232_100000179811 [0,0,0,1,0,0|1,0,1]=3 4247 B14R1.40 CCCCCCCCOC1CCCC1 7a_100000210269_100000210759 [0,0,0,1,0,0|1,0,1]=3 4248 B14R1.40 CCCCCCCCOC1CCCO1 34a_100000085407_100000210759 [0,0,0,1,0,0|0,0,2]=3 4249 B14R1.40 CCCCCCCCOC1CCOC1 34a_100000210232_100000690089 [0,0,0,1,0,0|2,0,1]=4 4250 B14R1.40 CCCCCCCCOC1CCOC1 7a_100000210232_100000731011 [0,0,0,1,0,0|2,0,1]=4 4251 B14R1.40 CCCCCCCCOC1CCSC1 7a_100011232664_100000210759 [0,0,0,1,0,0|2,0,1]=4 4252 B14R1.40 CCCCCCCCO[C@H]1CCOC1 34a_100000717292_100000210759 [0,0,0,1,0,0|2,0,1]=4 4253 B14R1.40 CCCCCCCCSC1CCCC1 62a_100000210759_100000179811 [0,0,0,1,0,0|1,1,1]=4 4254 B14R1.40 CCCCCCCCSC1CCCC1 62a_100011217020_100000210317 [0,0,0,1,0,0|1,1,1]=4 4255 B14R1.40 CCCCCNCCOC1CCCC1 34a_100000224656_100000179811 [0,0,0,1,0,0|2,0,1]=4 4256 B14R1.40 CCCCCNCCOC1CCCC1 34a_100000741755_100000718602 [0,0,0,1,0,0|2,0,1]=4 4257 B14R1.40 CCCCCOCCOC1CCCC1 34a_100000738311_100000718602 [0,0,0,1,0,0|2,0,1]=4 4258 B14R1.40 CCCCCOCCOC1CCCC1 34a_100011215259_100000179811 [0,0,0,1,0,0|2,0,1]=4 4259 B14R1.40 CCCCCOCCOC1CCCC1 7a_100000738311_100000210326 [0,0,0,1,0,0|2,0,1]=4 4260 B14R1.40 CCCCCOCCOC1CCCC1 7a_100011215259_100000179811 [0,0,0,1,0,0|2,0,1]=4 4261 B14R1.40 CCCCNCCCOC1CCCC1 34a_100000747560_100000210210 [0,0,0,1,0,0|2,0,1]=4 4262 B14R1.40 CCCCOCCCOC1CCCC1 34a_200011215613_100000179811 [0,0,0,1,0,0|2,0,1]=4 4263 B14R1.40 CCCCOCCCOC1CCCC1 7a_200011215613_100000179811 [0,0,0,1,0,0|2,0,1]=4 4264 B14R1.40 CCCOCCCCOC1CCCO1 34a_100011018183_100000210303 [0,0,0,1,0,0|1,0,2]=4 4265 B14R1.40 CCCOCCCCOC1CCCO1 7a_100011018183_100000210303 [0,0,0,1,0,0|1,0,2]=4 4266 B14R1.40 COCCCCCCOC1CCCC1 34a_100000210269_100011998445 [0,0,0,1,0,0|2,0,1]=4 4267 B14R1.40 COCCCCCCOC1CCCC1 34a_200012092642_100000179811 [0,0,0,1,0,0|2,0,1]=4 4268 B14R1.40 COCCCCCCOC1CCCC1 7a_100000210269_100011998445 [0,0,0,1,0,0|2,0,1]=4 4269 B14R1.40 COCCCCCCOC1CCCC1 7a_200012092642_100000179811 [0,0,0,1,0,0|2,0,1]=4 4270 B14R1.40 COCCCCCCOC1CCCO1 34a_100000085407_100011998445 [0,0,0,1,0,0|1,0,2]=4 4271 B14R1.40 NCCCCCCCOC1CCCC1 34a_100011996573_100000179811 [0,0,0,1,0,0|2,0,1]=4 4272 B14R1.40 OCCCCCCCOC1CCCC1 34a_100000210269_100000760002 [0,0,0,1,0,0|2,0,1]=4 4273 B14R1.40 OCCCCCCCOC1CCCC1 7a_100000210269_100000760002 [0,0,0,1,0,0|2,0,1]=4 4274 B14R1.40 OCCCCCCCOC1CCCO1 34a_100000085407_100000760002 [0,0,0,1,0,0|1,0,2]=4 4275 B14R1.216 CCCCCCCCN1CCC[C@@H]1C 2230a_100020605311_100000210759 [0,0,0,1,0,0|2,0,1]=4 4276 B14R1.216 CCCCCCCCN1CCC[C@@H]1C 269982a_100020605311_100000210759 [0,0,0,1,0,0|2,0,1]=4 4277 B14R1.216 CCCCCCCCN1CCC[C@H]1C 2230a_100015189458_100000210759 [0,0,0,1,0,0|2,0,1]=4 4278 B14R1.216 CCCCCCCCN1CCC[C@H]1C 269982a_100015189458_100000210759 [0,0,0,1,0,0|2,0,1]=4 4279 B14R1.216 CCCCCCCCN1CCC[C@H]1C 34a_100015189458_100000210759 [0,0,0,1,0,0|2,0,1]=4 4280 B14R1.216 CCCCCCCNC1CCCC1=O 2230a_100000229938_100000211823 [0,0,0,1,0,0|2,0,0]=3 4281 B14R1.216 CCCCCCCNC1CCNC1=O 2230a_100016995588_100000210681 [0,0,0,1,0,0|3,0,0]=4 4282 B14R1.216 CCCCCCCNC1CCNC1=O 34a_100016995588_100000210614 [0,0,0,1,0,0|3,0,0]=4 4283 B14R1.216 CCCCCCCNC1CCOC1=O 2230a_100000229938_100000211211 [0,0,0,1,0,0|3,0,0]=4 4284 B14R1.216 CCCCCCCOC1CCCC1=O 34a_100000210272_100000709159 [0,0,0,1,0,0|2,0,0]=3 4285 B14R1.216 CCCCCCCOC1CCCC1=O 34a_200000719330_100000210614 [0,0,0,1,0,0|2,0,0]=3 4286 B14R1.216 CCCCCCCOC1CCCC1=O 7a_100000210272_100000211823 [0,0,0,1,0,0|2,0,0]=3 4287 B14R1.216 CCCCCCCOC1CCOC1=O 34a_100000210272_100000211211 [0,0,0,1,0,0|3,0,0]=4 4288 B14R1.216 CCCCCCCOC1CCOC1=O 7a_100000210272_100000211211 [0,0,0,1,0,0|3,0,0]=4 4289 B14R1.216 CCCCCCCO[C@H]1CCNC1=O 34a_100000688343_100000210614 [0,0,0,1,0,0|3,0,0]=4 4290 B14R1.216 CCCCCCCSC1CCCC1=O 62a_100000210614_100000211823 [0,0,0,1,0,0|2,0,0]=3 4291 B14R1.216 CCCCCCCSC1CCCC1=O 62a_100000211823_100000210316 [0,0,0,1,0,0|2,0,0]=3 4292 B14R1.216 CCCCCCCSC1CCOC1=O 62a_100000210614_100000211211 [0,0,0,1,0,0|3,0,0]=4 4293 B14R1.216 CCCCCCCSC1CCOC1=O 62a_100000211211_100000210316 [0,0,0,1,0,0|3,0,0]=4 4294 B14R1.216 CCCCCCOCC1=CCCC1=O 34a_100000087531_100000210314 [0,0,0,1,0,0|2,0,1]=4 4295 B14R1.216 CCCCCCOCC1CCNC1=O 34a_100000133458_100000210314 [0,0,0,1,0,0|3,0,0]=4 4296 B14R1.216 CCCCCCSCN1CCCC1=O 62a_100000026320_100000210757 [0,0,0,1,0,0|2,0,0]=3 4297 B14R1.216 CCCCCCSCN1CCCC1=O 62a_100000210314_100000026320 [0,0,0,1,0,0|2,0,0]=3 4298 B14R1.216 CCCCCNCCN1CCCC1=O 2230a_100000209983_100000739059 [0,0,0,1,0,0|2,0,0]=3 4299 B14R1.216 CCCCCNCCN1CCCC1=O 2230a_100011200922_100000210326 [0,0,0,1,0,0|2,0,0]=3 4300 B14R1.216 CCCCCNCCN1CCNC1=O 2230a_100000209983_100000090651 [0,0,0,1,0,0|3,0,0]=4 4301 B14R1.216 CCCCCNCCN1CCNC1=O 2230a_100011207550_100000210326 [0,0,0,1,0,0|3,0,0]=4 4302 B14R1.216 CCCCCOCCN1CCCC1=O 34a_100000210253_100000739059 [0,0,0,1,0,0|2,0,0]=3 4303 B14R1.216 CCCCCOCCN1CCCC1=O 34a_100000211209_100000718602 [0,0,0,1,0,0|2,0,0]=3 4304 B14R1.216 CCCCCOCCN1CCCC1=O 7a_100000210253_100000739059 [0,0,0,1,0,0|2,0,0]=3 4305 B14R1.216 CCCCCOCCN1CCCC1=O 7a_100000211209_100000210326 [0,0,0,1,0,0|2,0,0]=3 4306 B14R1.216 CCCCCOCCN1CCNC1=O 34a_100000216532_100000718602 [0,0,0,1,0,0|3,0,0]=4 4307 B14R1.216 CCCCCOCCN1CCNC1=O 7a_100000210253_100000090651 [0,0,0,1,0,0|3,0,0]=4 4308 B14R1.216 CCCCCSCCN1CCCC1=O 62a_100000210326_100000739059 [0,0,0,1,0,0|2,0,0]=3 4309 B14R1.216 CCCCCSCCN1CCCC1=O 62a_100000739059_100000210326 [0,0,0,1,0,0|2,0,0]=3 4310 B14R1.216 CCCCCSCCN1CCNC1=O 62a_100000090651_100000210326 [0,0,0,1,0,0|3,0,0]=4 4311 B14R1.216 CCCCCSCCN1CCNC1=O 62a_100000210326_100000090651 [0,0,0,1,0,0|3,0,0]=4 4312 B14R1.216 CCCCNCCCN1CCCC1=O 2230a_100000210347_100000210211 [0,0,0,1,0,0|2,0,0]=3 4313 B14R1.216 CCCCNCCCN1CCCC1=O 34a_100000210347_100000210210 [0,0,0,1,0,0|2,0,0]=3 4314 B14R1.216 CCCCOCCCN1CCCC1=O 34a_100011216539_100000210210 [0,0,0,1,0,0|2,0,0]=3 4315 B14R1.216 CCCCOCCCN1CCCC1=O 7a_100011216539_100000210211 [0,0,0,1,0,0|2,0,0]=3 4316 B14R1.216 CCCCOCCOC1CCCC1=O 34a_100000210238_100000709159 [0,0,0,1,0,0|3,0,0]=4 4317 B14R1.216 CCCCOCCOC1CCCC1=O 34a_200000719330_100000743108 [0,0,0,1,0,0|3,0,0]=4 4318 B14R1.216 CCCCOCCOC1CCCC1=O 7a_100000210238_100000211823 [0,0,0,1,0,0|3,0,0]=4 4319 B14R1.216 CCCCOCCSC1CCCC1=O 62a_100000211823_100000743108 [0,0,0,1,0,0|3,0,0]=4 4320 B14R1.216 CCCCOCCSC1CCCC1=O 62a_100000743108_100000211823 [0,0,0,1,0,0|3,0,0]=4 4321 B14R1.216 CCCCOCSCN1CCCC1=O 62a_100000026320_100011995733 [0,0,0,1,0,0|3,0,0]=4 4322 B14R1.216 CCCCOCSCN1CCCC1=O 62a_100011995733_100000026320 [0,0,0,1,0,0|3,0,0]=4 4323 B14R1.216 CCCCSCCNC1CCCC1=O 2230a_100025743550_100000211823 [0,0,0,1,0,0|3,0,0]=4 4324 B14R1.216 CCCCSCCOC1CCCC1=O 34a_200000230436_100000709159 [0,0,0,1,0,0|3,0,0]=4 4325 B14R1.216 CCCCSCCOC1CCCC1=O 7a_200000230436_100000211823 [0,0,0,1,0,0|3,0,0]=4 4326 B14R1.216 CCCOCCCNC1CCCC1=O 2230a_100011217757_100000211823 [0,0,0,1,0,0|3,0,0]=4 4327 B14R1.216 CCCOCCCNC1CCCC1=O 34a_100011217757_100000709159 [0,0,0,1,0,0|3,0,0]=4 4328 B14R1.216 CCCOCCSCN1CCCC1=O 62a_100000026320_100011215938 [0,0,0,1,0,0|3,0,0]=4 4329 B14R1.216 CCCOCCSCN1CCCC1=O 62a_100011215938_100000026320 [0,0,0,1,0,0|3,0,0]=4 4330 B14R1.216 CCOCCCSCN1CCCC1=O 62a_100000026320_100012232248 [0,0,0,1,0,0|3,0,0]=4 4331 B14R1.216 CCOCCCSCN1CCCC1=O 62a_100012232248_100000026320 [0,0,0,1,0,0|3,0,0]=4 4332 B14R1.216 CCOCCNCCN1CCCC1=O 2230a_100011200922_100011215890 [0,0,0,1,0,0|3,0,0]=4 4333 B14R1.216 CCOCCNCCN1CCCC1=O 2230a_102516460346_100000739059 [0,0,0,1,0,0|3,0,0]=4 4334 B14R1.216 CCOCCNCCN1CCCC1=O 34a_102516460346_100000739059 [0,0,0,1,0,0|3,0,0]=4 4335 B14R1.216 CCOCCOCCN1CCCC1=O 34a_100000210136_100000739059 [0,0,0,1,0,0|3,0,0]=4 4336 B14R1.216 CCOCCOCCN1CCCC1=O 34a_100000211209_100000210147 [0,0,0,1,0,0|3,0,0]=4 4337 B14R1.216 CCOCCOCCN1CCCC1=O 7a_100000210136_100000739059 [0,0,0,1,0,0|3,0,0]=4 4338 B14R1.216 CCOCCOCCN1CCCC1=O 7a_100000211209_100011215890 [0,0,0,1,0,0|3,0,0]=4 4339 B14R1.216 CCOCCSCCN1CCCC1=O 62a_100000210147_100000739059 [0,0,0,1,0,0|3,0,0]=4 4340 B14R1.216 CCOCCSCCN1CCCC1=O 62a_100000739059_100011215890 [0,0,0,1,0,0|3,0,0]=4 4341 B14R1.216 CCSCCNCCN1CCCC1=O 2230a_100000106463_100000739059 [0,0,0,1,0,0|3,0,0]=4 4342 B14R1.216 CCSCCNCCN1CCCC1=O 2230a_100011200922_100000757381 [0,0,0,1,0,0|3,0,0]=4 4343 B14R1.216 CCSCCOCCN1CCCC1=O 34a_100000211209_100000757381 [0,0,0,1,0,0|3,0,0]=4 4344 B14R1.216 CCSCCOCCN1CCCC1=O 34a_100000212035_100000739059 [0,0,0,1,0,0|3,0,0]=4 4345 B14R1.216 CCSCCOCCN1CCCC1=O 7a_100000211209_100000757381 [0,0,0,1,0,0|3,0,0]=4 4346 B14R1.216 CCSCCOCCN1CCCC1=O 7a_100000212035_100000739059 [0,0,0,1,0,0|3,0,0]=4 4347 B14R1.216 CCSCCSCCN1CCCC1=O 62a_100000739059_100000757381 [0,0,0,1,0,0|3,0,0]=4 4348 B14R1.216 CCSCCSCCN1CCCC1=O 62a_100000757381_100000739059 [0,0,0,1,0,0|3,0,0]=4 4349 B14R1.216 CNCCCCCOC1CCCC1=O 34a_100000722520_100000709159 [0,0,0,1,0,0|3,0,0]=4 4350 B14R1.216 CNCCCOCCN1CCCC1=O 34a_100000213112_100000739059 [0,0,0,1,0,0|3,0,0]=4 4351 B14R1.216 COCCCCCNC1CCCC1=O 2230a_100000747528_100000211823 [0,0,0,1,0,0|3,0,0]=4 4352 B14R1.216 COCCCCCNC1CCCC1=O 34a_100000747528_100000709159 [0,0,0,1,0,0|3,0,0]=4 4353 B14R1.216 COCCCCSCN1CCCC1=O 62a_100000026320_100000730899 [0,0,0,1,0,0|3,0,0]=4 4354 B14R1.216 COCCCCSCN1CCCC1=O 62a_100000730899_100000026320 [0,0,0,1,0,0|3,0,0]=4 4355 B14R1.216 COCCCNCCN1CCCC1=O 2230a_100011200922_100000740836 [0,0,0,1,0,0|3,0,0]=4 4356 B14R1.216 COCCCNCCN1CCCC1=O 34a_100150723488_100000739059 [0,0,0,1,0,0|3,0,0]=4 4357 B14R1.216 COCCCOCCN1CCCC1=O 34a_100000211209_100000740836 [0,0,0,1,0,0|3,0,0]=4 4358 B14R1.216 COCCCOCCN1CCCC1=O 34a_100000740835_100000739059 [0,0,0,1,0,0|3,0,0]=4 4359 B14R1.216 COCCCOCCN1CCCC1=O 7a_100000211209_100000740836 [0,0,0,1,0,0|3,0,0]=4 4360 B14R1.216 COCCCSCCN1CCCC1=O 62a_100000709357_100000739059 [0,0,0,1,0,0|3,0,0]=4 4361 B14R1.216 COCCCSCCN1CCCC1=O 62a_100000739059_100000709357 [0,0,0,1,0,0|3,0,0]=4 4362 B14R1.216 COCCNCCCN1CCCC1=O 2230a_100000210347_100011201679 [0,0,0,1,0,0|3,0,0]=4 4363 B14R1.216 COCCNCCCN1CCCC1=O 34a_100000210347_100011201679 [0,0,0,1,0,0|3,0,0]=4 4364 B14R1.216 COCCOCCCN1CCCC1=O 34a_100011216539_100011201679 [0,0,0,1,0,0|3,0,0]=4 4365 B14R1.216 COCCOCCCN1CCCC1=O 7a_100011216539_100000233755 [0,0,0,1,0,0|3,0,0]=4 4366 B14R1.216 CSCCCNCCN1CCCC1=O 2230a_100000749238_100000739059 [0,0,0,1,0,0|3,0,0]=4 4367 B14R1.216 CSCCCOCCN1CCCC1=O 34a_100000690336_100000739059 [0,0,0,1,0,0|3,0,0]=4 4368 B14R1.216 CSCCCOCCN1CCCC1=O 7a_100000690336_100000739059 [0,0,0,1,0,0|3,0,0]=4 4369 B14R1.216 CSCCNCCCN1CCCC1=O 2230a_100000210347_100000751147 [0,0,0,1,0,0|3,0,0]=4 4370 B14R1.216 CSCCNCCCN1CCCC1=O 34a_100000210347_100000212216 [0,0,0,1,0,0|3,0,0]=4 4371 B14R1.216 CSCCOCCCN1CCCC1=O 34a_100011216539_100000212216 [0,0,0,1,0,0|3,0,0]=4 4372 B14R1.216 CSCCOCCCN1CCCC1=O 7a_100011216539_100000212216 [0,0,0,1,0,0|3,0,0]=4 4373 B14R1.216 NCCCCCCOC1CCCC1=O 34a_100000686447_100000709159 [0,0,0,1,0,0|3,0,0]=4 4374 B14R1.216 NCCCCOCCN1CCCC1=O 34a_100000750430_100000739059 [0,0,0,1,0,0|3,0,0]=4 4375 B14R1.216 O=C1CCCC1NCCCCCCO 2230a_100000686447_100000211823 [0,0,0,1,0,0|3,0,0]=4 4376 B14R1.216 O=C1CCCC1NCCCCCCO 34a_100000686447_100000709159 [0,0,0,1,0,0|3,0,0]=4 4377 B14R1.216 O=C1CCCC1OCCCCCCBr 34a_100011215345_100000709159 [0,0,0,1,0,0|3,0,0]=4 4378 B14R1.216 O=C1CCCC1OCCCCCCBr 7a_100011215345_100000211823 [0,0,0,1,0,0|3,0,0]=4 4379 B14R1.216 O=C1CCCC1OCCCCCCCl 34a_100000766143_100000709159 [0,0,0,1,0,0|3,0,0]=4 4380 B14R1.216 O=C1CCCC1OCCCCCCCl 7a_100000766143_100000211823 [0,0,0,1,0,0|3,0,0]=4 4381 B14R1.216 O=C1CCCC1OCCCCCCF 34a_100000732779_100000709159 [0,0,0,1,0,0|3,0,0]=4 4382 B14R1.216 O=C1CCCC1OCCCCCCF 34a_200000719330_100015922095 [0,0,0,1,0,0|3,0,0]=4 4383 B14R1.216 O=C1CCCC1OCCCCCCF 7a_100000732779_100000211823 [0,0,0,1,0,0|3,0,0]=4 4384 B14R1.216 O=C1CCCC1OCCCCCCO 34a_200000719330_100000766143 [0,0,0,1,0,0|3,0,0]=4 4385 B14R1.216 O=C1CCCC1SCCCCCCF 62a_100000211823_100015922095 [0,0,0,1,0,0|3,0,0]=4 4386 B14R1.216 O=C1CCCC1SCCCCCCF 62a_100015922095_100000211823 [0,0,0,1,0,0|3,0,0]=4 4387 B14R1.216 O=C1CCCC1SCCCCCCO 62a_100000211823_100000766143 [0,0,0,1,0,0|3,0,0]=4 4388 B14R1.216 O=C1CCCC1SCCCCCCO 62a_100000766143_100000211823 [0,0,0,1,0,0|3,0,0]=4 4389 B14R1.216 O=C1CCCN1CCCNCCCF 2230a_100000210347_100011934791 [0,0,0,1,0,0|3,0,0]=4 4390 B14R1.216 O=C1CCCN1CCCNCCCF 34a_100000210347_100011934791 [0,0,0,1,0,0|3,0,0]=4 4391 B14R1.216 O=C1CCCN1CCCNCCCO 2230a_100000210347_100000230001 [0,0,0,1,0,0|3,0,0]=4 4392 B14R1.216 O=C1CCCN1CCCNCCCO 34a_100000210347_100000230001 [0,0,0,1,0,0|3,0,0]=4 4393 B14R1.216 O=C1CCCN1CCCOCCCF 34a_100011216539_100011934791 [0,0,0,1,0,0|3,0,0]=4 4394 B14R1.216 O=C1CCCN1CCCOCCCF 7a_100011216539_100011934791 [0,0,0,1,0,0|3,0,0]=4 4395 B14R1.216 O=C1CCCN1CCCOCCCO 34a_100011216539_100000230001 [0,0,0,1,0,0|3,0,0]=4 4396 B14R1.216 O=C1CCCN1CCCOCCCO 7a_100011216539_100011215043 [0,0,0,1,0,0|3,0,0]=4 4397 B14R1.216 O=C1CCCN1CCNCCCCF 2230a_100011200922_100000729493 [0,0,0,1,0,0|3,0,0]=4 4398 B14R1.216 O=C1CCCN1CCNCCCCO 2230a_100000750430_100000739059 [0,0,0,1,0,0|3,0,0]=4 4399 B14R1.216 O=C1CCCN1CCNCCCCO 2230a_100011200922_100000210776 [0,0,0,1,0,0|3,0,0]=4 4400 B14R1.216 O=C1CCCN1CCNCCCCO 34a_100000750430_100000739059 [0,0,0,1,0,0|3,0,0]=4 4401 B14R1.216 O=C1CCCN1CCOCCCCBr 34a_100011216708_100000739059 [0,0,0,1,0,0|3,0,0]=4 4402 B14R1.216 O=C1CCCN1CCOCCCCCl 34a_100000210776_100000739059 [0,0,0,1,0,0|3,0,0]=4 4403 B14R1.216 O=C1CCCN1CCOCCCCCl 7a_100000210776_100000739059 [0,0,0,1,0,0|3,0,0]=4 4404 B14R1.216 O=C1CCCN1CCOCCCCF 34a_100000211209_100000729493 [0,0,0,1,0,0|3,0,0]=4 4405 B14R1.216 O=C1CCCN1CCOCCCCF 34a_100011995726_100000739059 [0,0,0,1,0,0|3,0,0]=4 4406 B14R1.216 O=C1CCCN1CCOCCCCF 7a_100000211209_100000729493 [0,0,0,1,0,0|3,0,0]=4 4407 B14R1.216 O=C1CCCN1CCOCCCCF 7a_100011995726_100000739059 [0,0,0,1,0,0|3,0,0]=4 4408 B14R1.216 O=C1CCCN1CCOCCCCI 34a_200012148704_100000739059 [0,0,0,1,0,0|3,0,0]=4 4409 B14R1.216 O=C1CCCN1CCOCCCCO 34a_100000211209_100011216708 [0,0,0,1,0,0|3,0,0]=4 4410 B14R1.216 O=C1CCCN1CCOCCCCO 7a_100000211209_100000210776 [0,0,0,1,0,0|3,0,0]=4 4411 B14R1.216 O=C1CCCN1CCSCCCCF 62a_100000729493_100000739059 [0,0,0,1,0,0|3,0,0]=4 4412 B14R1.216 O=C1CCCN1CCSCCCCF 62a_100000739059_100000729493 [0,0,0,1,0,0|3,0,0]=4 4413 B14R1.216 O=C1CCCN1CCSCCCCO 62a_100000210776_100000739059 [0,0,0,1,0,0|3,0,0]=4 4414 B14R1.216 O=C1CCCN1CCSCCCCO 62a_100000739059_100000210776 [0,0,0,1,0,0|3,0,0]=4 4415 B14R1.216 O=C1CCCN1CSCCCCCF 62a_100000026320_100000729378 [0,0,0,1,0,0|3,0,0]=4 4416 B14R1.216 O=C1CCCN1CSCCCCCF 62a_100000729378_100000026320 [0,0,0,1,0,0|3,0,0]=4 4417 B14R1.216 O=C1CCCN1CSCCCCCO 62a_100000026320_100000746330 [0,0,0,1,0,0|3,0,0]=4 4418 B14R1.216 O=C1CCCN1CSCCCCCO 62a_100000746330_100000026320 [0,0,0,1,0,0|3,0,0]=4 4419 B14R1.219 CCCCCCc1noc(n1)CCC 270196a_100011218096_100000211992 [0,0,0,1,0,0|2,0,1]=4 4420 B14R1.257 CCCC(=O)OCN1CCC1COC 2230a_100015195929_100000034017 [0,0,0,1,0,0|2,0,0]=3 4421 B14R1.257 CCCC(=O)OCN1CCC1COC 269982a_100015195929_100000034017 [0,0,0,1,0,0|2,0,0]=3 4422 B14R1.257 CCCC(=O)OCN1CCC1COC 34a_100015195929_100000034017 [0,0,0,1,0,0|2,0,0]=3 4423 B14R1.263 C#CCC(=O)N1CCCCC1CCC 1626a_100000701414_100011220946 [0,0,0,1,0,0|1,0,2]=4 4424 B14R1.263 C#CCC(=O)N1CCCCC1CCC 527a_100000701414_100011220946 [0,0,0,1,0,0|1,0,2]=4 4425 B14R1.263 C=CCC(=O)N1CCCCC1CCC 11a_100000701414_100000210193 [0,0,0,1,0,0|1,0,2]=4 4426 B14R1.263 C=CCC(=O)N1CCCCC1CCC 1626a_100000701414_100000210193 [0,0,0,1,0,0|1,0,2]=4 4427 B14R1.263 C=CCC(=O)N1CCCCC1CCC 240690a_100000701414_100000210193 [0,0,0,1,0,0|1,0,2]=4 4428 B14R1.263 C=CCC(=O)N1CCCCC1CCC 527a_100000701414_100000210193 [0,0,0,1,0,0|1,0,2]=4 4429 B14R1.263 CC=CC(=O)N1CCCCC1CCC 11a_100000701414_100000210699 [0,0,0,1,0,0|1,0,2]=4 4430 B14R1.263 CC=CC(=O)N1CCCCC1CCC 1626a_100000701414_100000210699 [0,0,0,1,0,0|1,0,2]=4 4431 B14R1.263 CC=CC(=O)N1CCCCC1CCC 240690a_100000701414_100000210699 [0,0,0,1,0,0|1,0,2]=4 4432 B14R1.263 CCCC(=O)C1CCCCN1CCC 1458a_100000743559_100000210303 [0,0,0,1,0,0|2,0,0]=3 4433 B14R1.263 CCCC(=O)N1CCCCC1CC#N 11a_100000133382_100000211992 [0,0,0,1,0,0|2,0,1]=4 4434 B14R1.263 CCCC(=O)N1CCCCC1CC#N 1626a_100000133382_100000211992 [0,0,0,1,0,0|2,0,1]=4 4435 B14R1.263 CCCC(=O)N1CCCCC1CC#N 240690a_100000133382_100000211992 [0,0,0,1,0,0|2,0,1]=4 4436 B14R1.263 CCCC(=O)N1CCCCC1CC#N 527a_100000133382_100000211992 [0,0,0,1,0,0|2,0,1]=4 4437 B14R1.263 CCCC(=O)N1CCCCC1CCC 11a_100000701414_100000211992 [0,0,0,1,0,0|1,0,0]=2 4438 B14R1.263 CCCC(=O)N1CCCCC1CCC 1626a_100000701414_100000211992 [0,0,0,1,0,0|1,0,0]=2 4439 B14R1.263 CCCC(=O)N1CCCCC1CCC 240690a_100000701414_100000211992 [0,0,0,1,0,0|1,0,0]=2 4440 B14R1.263 CCCC(=O)N1CCCCC1CCC 527a_100000701414_100000211992 [0,0,0,1,0,0|1,0,0]=2 4441 B14R1.263 CCCC(=O)N1CCCCC1CCO 240690a_100000211664_100000211992 [0,0,0,1,0,0|2,0,0]=3 4442 B14R1.263 CCCC(=O)N1CCCCC1COC 11a_100015184032_100000211992 [0,0,0,1,0,0|2,0,0]=3 4443 B14R1.263 CCCC(=O)N1CCCCC1COC 1626a_100015184032_100000211992 [0,0,0,1,0,0|2,0,0]=3 4444 B14R1.263 CCCC(=O)N1CCCCC1COC 240690a_100015184032_100000211992 [0,0,0,1,0,0|2,0,0]=3 4445 B14R1.263 CCCC(=O)N1CCCCC1COC 527a_100015184032_100000211992 [0,0,0,1,0,0|2,0,0]=3 4446 B14R1.263 CCCC(=O)N1CCOCC1CCC 11a_102495339903_100000211992 [0,0,0,1,0,0|2,0,0]=3 4447 B14R1.263 CCCC(=O)N1CCOCC1CCC 1626a_102495339903_100000211992 [0,0,0,1,0,0|2,0,0]=3 4448 B14R1.263 CCCC(=O)N1CCOCC1CCC 240690a_102495339903_100000211992 [0,0,0,1,0,0|2,0,0]=3 4449 B14R1.263 CCCC(=O)N1CCOCC1CCC 527a_102495339903_100000211992 [0,0,0,1,0,0|2,0,0]=3 4450 B14R1.263 CCCC(=O)N1CCOC[C@@H]1COC 11a_100016989928_100000211992 [0,0,0,1,0,0|3,0,0]=4 4451 B14R1.263 CCCC(=O)N1CCOC[C@@H]1COC 1626a_100016989928_100000211992 [0,0,0,1,0,0|3,0,0]=4 4452 B14R1.263 CCCC(=O)N1CCOC[C@@H]1COC 240690a_100016989928_100000211992 [0,0,0,1,0,0|3,0,0]=4 4453 B14R1.263 CCCC(=O)N1CCOC[C@@H]1COC 527a_100016989928_100000211992 [0,0,0,1,0,0|3,0,0]=4 4454 B14R1.263 CCCC(C)N1CCCCC1CCC 2230a_100000701414_100000766640 [0,0,0,1,0,0|2,0,1]=4 4455 B14R1.263 CCCC(C)N1CCCCC1CCC 269982a_100000701414_100000766640 [0,0,0,1,0,0|2,0,1]=4 4456 B14R1.263 CCCC(C)N1CCCCC1CCC 270004a_100000701414_100000211909 [0,0,0,1,0,0|2,0,1]=4 4457 B14R1.263 CCCC(C)N1CCCCC1CCC 34a_100000701414_100000766640 [0,0,0,1,0,0|2,0,1]=4 4458 B14R1.263 CCCC1CCCCC1N(C)CCC 270004a_100000747261_100011218038 [0,0,0,1,0,0|3,0,0]=4 4459 B14R1.263 CCCC1CCCCN1C(=O)CC#N 1626a_100000701414_100051588842 [0,0,0,1,0,0|2,0,1]=4 4460 B14R1.263 CCCC1CCCCN1C(=O)CC#N 240690a_100000701414_100051588842 [0,0,0,1,0,0|2,0,1]=4 4461 B14R1.263 CCCC1CCCCN1C(=O)CCO 240690a_100000701414_100011216618 [0,0,0,1,0,0|2,0,0]=3 4462 B14R1.263 CCCC1CCCCN1C(=O)COC 11a_100000701414_100000210968 [0,0,0,1,0,0|2,0,0]=3 4463 B14R1.263 CCCC1CCCCN1C(=O)COC 1626a_100000701414_100000210968 [0,0,0,1,0,0|2,0,0]=3 4464 B14R1.263 CCCC1CCCCN1C(=O)COC 240690a_100000701414_100000210968 [0,0,0,1,0,0|2,0,0]=3 4465 B14R1.263 CCCC1CCCCN1C(=O)COC 527a_100000701414_100000210968 [0,0,0,1,0,0|2,0,0]=3 4466 B14R1.263 CCCC1CCCCN1C(=O)CSC 11a_100000701414_100000184570 [0,0,0,1,0,0|2,0,0]=3 4467 B14R1.263 CCCC1CCCCN1C(=O)CSC 1626a_100000701414_100000184570 [0,0,0,1,0,0|2,0,0]=3 4468 B14R1.263 CCCC1CCCCN1C(=O)CSC 240690a_100000701414_100000184570 [0,0,0,1,0,0|2,0,0]=3 4469 B14R1.263 CCCC1CCCCN1C(=O)CSC 527a_100000701414_100000184570 [0,0,0,1,0,0|2,0,0]=3 4470 B14R1.263 CCCC1CCCCN1C(=O)NCC 2708a_100015525214_100000701414 [0,0,0,1,0,0|2,0,0]=3 4471 B14R1.263 CCCC1CCCCN1C(=O)NCC 273464a_100015525214_100000701414 [0,0,0,1,0,0|2,0,0]=3 4472 B14R1.263 CCCC1COCCN1C(=O)CCO 240690a_102495339903_100011216618 [0,0,0,1,0,0|3,0,0]=4 4473 B14R1.263 CCCC1COCCN1C(=O)COC 11a_102495339903_100000210968 [0,0,0,1,0,0|3,0,0]=4 4474 B14R1.263 CCCC1COCCN1C(=O)COC 1626a_102495339903_100000210968 [0,0,0,1,0,0|3,0,0]=4 4475 B14R1.263 CCCC1COCCN1C(=O)COC 240690a_102495339903_100000210968 [0,0,0,1,0,0|3,0,0]=4 4476 B14R1.263 CCCC1COCCN1C(=O)COC 527a_102495339903_100000210968 [0,0,0,1,0,0|3,0,0]=4 4477 B14R1.263 CCCC1COCCN1C(=O)CSC 11a_102495339903_100000184570 [0,0,0,1,0,0|3,0,0]=4 4478 B14R1.263 CCCC1COCCN1C(=O)CSC 1626a_102495339903_100000184570 [0,0,0,1,0,0|3,0,0]=4 4479 B14R1.263 CCCC1COCCN1C(=O)CSC 240690a_102495339903_100000184570 [0,0,0,1,0,0|3,0,0]=4 4480 B14R1.263 CCCC1COCCN1C(=O)CSC 527a_102495339903_100000184570 [0,0,0,1,0,0|3,0,0]=4 4481 B14R1.263 CCCC1COCCN1C(=O)NCC 2708a_100015525214_102495339903 [0,0,0,1,0,0|3,0,0]=4 4482 B14R1.263 CCCC1COCCN1C(=O)NCC 273464a_100015525214_102495339903 [0,0,0,1,0,0|3,0,0]=4 4483 B14R1.263 CCCN1CCCCC1C(=O)CCF 1458a_100000743559_100011217306 [0,0,0,1,0,0|3,0,0]=4 4484 B14R1.263 CCCN1CCCCC1C(=O)CCO 1458a_100000743559_100000211926 [0,0,0,1,0,0|3,0,0]=4 4485 B14R1.263 CCCN1CCCCC1C(=O)NCC 240690a_100015525214_100000743559 [0,0,0,1,0,0|3,0,0]=4 4486 B14R1.263 CCCN1CCCCC1C(=O)OCC 2230a_100016990872_100000210303 [0,0,0,1,0,0|3,0,0]=4 4487 B14R1.263 CCCN1CCCCC1C(=O)OCC 269982a_100016990872_100000210303 [0,0,0,1,0,0|3,0,0]=4 4488 B14R1.263 CCNC(=O)N1CCCCC1CCO 2708a_100015525214_100000211664 [0,0,0,1,0,0|3,0,0]=4 4489 B14R1.263 CCNC(=O)N1CCCCC1CCO 273464a_100015525214_100000211664 [0,0,0,1,0,0|3,0,0]=4 4490 B14R1.263 CCNC(=O)N1CCCCC1COC 2708a_100015525214_100015184032 [0,0,0,1,0,0|3,0,0]=4 4491 B14R1.263 CCNC(=O)N1CCCCC1COC 273464a_100015525214_100015184032 [0,0,0,1,0,0|3,0,0]=4 4492 B14R1.263 CCOC(=O)C1CCCCC1OCC 7a_100000038711_100000210202 [0,0,0,1,0,0|3,0,0]=4 4493 B14R1.263 COCC(=O)N1CCCCC1CCO 240690a_100000211664_100000210968 [0,0,0,1,0,0|3,0,0]=4 4494 B14R1.263 COCC(=O)N1CCCCC1COC 11a_100015184032_100000210968 [0,0,0,1,0,0|3,0,0]=4 4495 B14R1.263 COCC(=O)N1CCCCC1COC 1626a_100015184032_100000210968 [0,0,0,1,0,0|3,0,0]=4 4496 B14R1.263 COCC(=O)N1CCCCC1COC 240690a_100015184032_100000210968 [0,0,0,1,0,0|3,0,0]=4 4497 B14R1.263 COCC(=O)N1CCCCC1COC 527a_100015184032_100000210968 [0,0,0,1,0,0|3,0,0]=4 4498 B14R1.263 COCC1CCCCN1C(=O)CCO 240690a_100015184032_100011216618 [0,0,0,1,0,0|3,0,0]=4 4499 B14R1.263 COCC1CCCCN1C(=O)CSC 11a_100015184032_100000184570 [0,0,0,1,0,0|3,0,0]=4 4500 B14R1.263 COCC1CCCCN1C(=O)CSC 1626a_100015184032_100000184570 [0,0,0,1,0,0|3,0,0]=4 4501 B14R1.263 COCC1CCCCN1C(=O)CSC 240690a_100015184032_100000184570 [0,0,0,1,0,0|3,0,0]=4 4502 B14R1.263 COCC1CCCCN1C(=O)CSC 527a_100015184032_100000184570 [0,0,0,1,0,0|3,0,0]=4 4503 B14R1.263 CSCC(=O)N1CCCCC1CCO 240690a_100000211664_100000184570 [0,0,0,1,0,0|3,0,0]=4 4504 B14R1.263 O=C(CCO)N1CCCCC1CCO 240690a_100000211664_100011216618 [0,0,0,1,0,0|3,0,0]=4 4505 B14R1.273 CCCC(=O)CN1CCC[C@H]1COC 2230a_100020646714_100000747444 [0,0,0,1,0,0|3,0,0]=4 4506 B14R1.273 CCCC(=O)CN1CCC[C@H]1COC 269982a_100020646714_100000747444 [0,0,0,1,0,0|3,0,0]=4 4507 B14R1.273 CCCC(C)NC1CCCC1CCC 269862a_100000741246_100000723119 [0,0,0,1,0,0|2,0,1]=4 4508 B14R1.273 CCCC(C)NC1CCCC1CCC 270004a_100000741246_100000723119 [0,0,0,1,0,0|2,0,1]=4 4509 B14R1.520 C#CCC(=O)CCCC1CCCCC1 1458a_100000211478_100000184674 [0,0,0,1,0,0|1,0,2]=4 4510 B14R1.520 C#CCC(=O)CCCC1CCCCC1 1458a_100011220946_100011713725 [0,0,0,1,0,0|1,0,2]=4 4511 B14R1.520 C#CCC(=O)NCCC1CCCCC1 1626a_100000738074_100011220946 [0,0,0,1,0,0|1,0,2]=4 4512 B14R1.520 C#CCC(=O)NCCC1CCCCC1 527a_100000738074_100011220946 [0,0,0,1,0,0|1,0,2]=4 4513 B14R1.520 C=CCC(=O)CCCC1CCCCC1 1458a_100000210193_100011713725 [0,0,0,1,0,0|1,0,2]=4 4514 B14R1.520 C=CCC(=O)CCCC1CCCCC1 1458a_100000211478_100000210623 [0,0,0,1,0,0|1,0,2]=4 4515 B14R1.520 C=CCC(=O)NCCC1CCCCC1 11a_100000738074_100000210193 [0,0,0,1,0,0|1,0,2]=4 4516 B14R1.520 C=CCC(=O)NCCC1CCCCC1 1626a_100000738074_100000210193 [0,0,0,1,0,0|1,0,2]=4 4517 B14R1.520 C=CCC(=O)NCCC1CCCCC1 240690a_100000738074_100000210193 [0,0,0,1,0,0|1,0,2]=4 4518 B14R1.520 C=CCC(=O)NCCC1CCCCC1 527a_100000738074_100000210193 [0,0,0,1,0,0|1,0,2]=4 4519 B14R1.520 CC#CC(=O)CCCC1CCCCC1 1458a_100000763181_100011713725 [0,0,0,1,0,0|1,0,2]=4 4520 B14R1.520 CC(CCBr)OCCC1CCCCC1 34a_100012276601_100011209188 [0,0,0,1,0,0|2,0,1]=4 4521 B14R1.520 CC(CCO)OCCC1CCCCC1 34a_100011217863_100009893172 [0,0,0,1,0,0|2,0,1]=4 4522 B14R1.520 CC(CCO)OCCC1CCCCC1 7a_100011217863_100009893172 [0,0,0,1,0,0|2,0,1]=4 4523 B14R1.520 CC=CC(=O)CCCC1CCCCC1 1458a_100000210699_100011713725 [0,0,0,1,0,0|1,0,2]=4 4524 B14R1.520 CC=CC(=O)NCCC1CCCCC1 11a_100000738074_100000210699 [0,0,0,1,0,0|1,0,2]=4 4525 B14R1.520 CC=CC(=O)NCCC1CCCCC1 1626a_100000738074_100000210699 [0,0,0,1,0,0|1,0,2]=4 4526 B14R1.520 CC=CC(=O)NCCC1CCCCC1 240690a_100000738074_100000210699 [0,0,0,1,0,0|1,0,2]=4 4527 B14R1.520 CCCC(=NNCC1CCCCC1)C 4a_100000740227_100000211909 [0,0,0,1,0,0|3,0,0]=4 4528 B14R1.520 CCCC(=O)C=CCN1CCCCC1 1458a_100015232380_100000210303 [0,0,0,1,0,0|2,0,1]=4 4529 B14R1.520 CCCC(=O)CCCC1CCCCC1 1458a_100000211478_100000210303 [0,0,0,1,0,0|1,0,0]=2 4530 B14R1.520 CCCC(=O)CCCC1CCCCC1 1458a_100000211992_100011713725 [0,0,0,1,0,0|1,0,0]=2 4531 B14R1.520 CCCC(=O)CCCN1CCCCC1 1458a_100000211992_100000690320 [0,0,0,1,0,0|2,0,0]=3 4532 B14R1.520 CCCC(=O)CCCN1CCCCC1 1458a_100000742516_100000210303 [0,0,0,1,0,0|2,0,0]=3 4533 B14R1.520 CCCC(=O)CCCN1CCOCC1 1458a_100000211992_100000748698 [0,0,0,1,0,0|3,0,0]=4 4534 B14R1.520 CCCC(=O)CCOC1CCCCC1 1458a_100000211992_100011211530 [0,0,0,1,0,0|2,0,0]=3 4535 B14R1.520 CCCC(=O)CCOC1CCCCO1 1458a_100000211992_100000744793 [0,0,0,1,0,0|3,0,0]=4 4536 B14R1.520 CCCC(=O)CNCC1CCCCC1 2230a_100000210473_100000747444 [0,0,0,1,0,0|2,0,0]=3 4537 B14R1.520 CCCC(=O)CNCC1CCCCO1 2230a_100000174945_100000747444 [0,0,0,1,0,0|3,0,0]=4 4538 B14R1.520 CCCC(=O)CNCC1CCCOC1 2230a_100000720124_100000747444 [0,0,0,1,0,0|3,0,0]=4 4539 B14R1.520 CCCC(=O)CNCC1CCOCC1 2230a_100000746373_100000747444 [0,0,0,1,0,0|3,0,0]=4 4540 B14R1.520 CCCC(=O)CNCC1CCSCC1 2230a_100015188806_100000747444 [0,0,0,1,0,0|3,0,0]=4 4541 B14R1.520 CCCC(=O)COCC1CCCCC1 7a_100000212181_100000747444 [0,0,0,1,0,0|2,0,0]=3 4542 B14R1.520 CCCC(=O)COCC1CCCCO1 1458a_100011223378_100000210303 [0,0,0,1,0,0|3,0,0]=4 4543 B14R1.520 CCCC(=O)COCC1CCCCO1 7a_100000211370_100000747444 [0,0,0,1,0,0|3,0,0]=4 4544 B14R1.520 CCCC(=O)COCC1CCSCC1 7a_100000070558_100000747444 [0,0,0,1,0,0|3,0,0]=4 4545 B14R1.520 CCCC(=O)CSCC1CCCCC1 62a_100000211423_100000747444 [0,0,0,1,0,0|2,0,0]=3 4546 B14R1.520 CCCC(=O)CSCC1CCCCC1 62a_100000747444_100000211423 [0,0,0,1,0,0|2,0,0]=3 4547 B14R1.520 CCCC(=O)CSCC1CCCCO1 62a_100000211543_100000747444 [0,0,0,1,0,0|3,0,0]=4 4548 B14R1.520 CCCC(=O)CSCC1CCCCO1 62a_100000747444_100000211543 [0,0,0,1,0,0|3,0,0]=4 4549 B14R1.520 CCCC(=O)CSCC1CCCOC1 62a_100000741521_100000747444 [0,0,0,1,0,0|3,0,0]=4 4550 B14R1.520 CCCC(=O)CSCC1CCCOC1 62a_100000747444_100000741521 [0,0,0,1,0,0|3,0,0]=4 4551 B14R1.520 CCCC(=O)CSCC1CCOCC1 62a_100000747444_100000749018 [0,0,0,1,0,0|3,0,0]=4 4552 B14R1.520 CCCC(=O)CSCC1CCOCC1 62a_100000754603_100000747444 [0,0,0,1,0,0|3,0,0]=4 4553 B14R1.520 CCCC(=O)NCCC1=CCCCC1 11a_100000212019_100000211992 [0,0,0,1,0,0|1,0,2]=4 4554 B14R1.520 CCCC(=O)NCCC1=CCCCC1 1626a_100000212019_100000211992 [0,0,0,1,0,0|1,0,2]=4 4555 B14R1.520 CCCC(=O)NCCC1=CCCCC1 240690a_100000212019_100000211992 [0,0,0,1,0,0|1,0,2]=4 4556 B14R1.520 CCCC(=O)NCCC1=CCCCC1 527a_100000212019_100000211992 [0,0,0,1,0,0|1,0,2]=4 4557 B14R1.520 CCCC(=O)NCCC1CCCCC1 11a_100000738074_100000211992 [0,0,0,1,0,0|1,0,0]=2 4558 B14R1.520 CCCC(=O)NCCC1CCCCC1 1626a_100000738074_100000211992 [0,0,0,1,0,0|1,0,0]=2 4559 B14R1.520 CCCC(=O)NCCC1CCCCC1 240690a_100000738074_100000211992 [0,0,0,1,0,0|1,0,0]=2 4560 B14R1.520 CCCC(=O)NCCC1CCCCC1 527a_100000738074_100000211992 [0,0,0,1,0,0|1,0,0]=2 4561 B14R1.520 CCCC(=O)NCCC1CCCCO1 11a_100015183643_100000211992 [0,0,0,1,0,0|2,0,0]=3 4562 B14R1.520 CCCC(=O)NCCC1CCCCO1 1626a_100015183643_100000211992 [0,0,0,1,0,0|2,0,0]=3 4563 B14R1.520 CCCC(=O)NCCC1CCCCO1 240690a_100015183643_100000211992 [0,0,0,1,0,0|2,0,0]=3 4564 B14R1.520 CCCC(=O)NCCC1CCCCO1 527a_100015183643_100000211992 [0,0,0,1,0,0|2,0,0]=3 4565 B14R1.520 CCCC(=O)NCCC1CCOCC1 11a_100000755988_100000211992 [0,0,0,1,0,0|2,0,0]=3 4566 B14R1.520 CCCC(=O)NCCC1CCOCC1 1626a_100000755988_100000211992 [0,0,0,1,0,0|2,0,0]=3 4567 B14R1.520 CCCC(=O)NCCC1CCOCC1 240690a_100000755988_100000211992 [0,0,0,1,0,0|2,0,0]=3 4568 B14R1.520 CCCC(=O)NCCC1CCOCC1 527a_100000755988_100000211992 [0,0,0,1,0,0|2,0,0]=3 4569 B14R1.520 CCCC(=O)NCCN1CCCCC1 240690a_100000216509_100000211992 [0,0,0,1,0,0|2,0,0]=3 4570 B14R1.520 CCCC(=O)NCCN1CCCCC1 527a_100000216509_100000211992 [0,0,0,1,0,0|2,0,0]=3 4571 B14R1.520 CCCC(=O)NCCN1CCOCC1 11a_100000211067_100000211992 [0,0,0,1,0,0|3,0,0]=4 4572 B14R1.520 CCCC(=O)NCCN1CCOCC1 240690a_100000211067_100000211992 [0,0,0,1,0,0|3,0,0]=4 4573 B14R1.520 CCCC(=O)NCCN1CCOCC1 527a_100000211067_100000211992 [0,0,0,1,0,0|3,0,0]=4 4574 B14R1.520 CCCC(=O)NCCN1CCSCC1 240690a_100000755026_100000211992 [0,0,0,1,0,0|3,0,0]=4 4575 B14R1.520 CCCC(=O)NCCN1CCSCC1 527a_100000755026_100000211992 [0,0,0,1,0,0|3,0,0]=4 4576 B14R1.520 CCCC(=O)NN=CC1CCCCC1 4a_100000189770_100000211278 [0,0,0,1,0,0|2,0,1]=4 4577 B14R1.520 CCCC(=O)NNCC1CCCCC1 22a_100000740227_100000211992 [0,0,0,1,0,0|2,0,0]=3 4578 B14R1.520 CCCC(=O)NNCC1CCOCC1 22a_200000757053_100000211992 [0,0,0,1,0,0|3,0,0]=4 4579 B14R1.520 CCCC(=O)OCNC1CCCCC1 2230a_100000182618_100000034017 [0,0,0,1,0,0|1,0,0]=2 4580 B14R1.520 CCCC(=O)OCNC1CCCCC1 34a_100000182618_100000034017 [0,0,0,1,0,0|1,0,0]=2 4581 B14R1.520 CCCC(=O)OCNC1CCCOC1 2230a_100000719290_100000034017 [0,0,0,1,0,0|2,0,0]=3 4582 B14R1.520 CCCC(=O)OCNC1CCCOC1 34a_100000719290_100000034017 [0,0,0,1,0,0|2,0,0]=3 4583 B14R1.520 CCCC(=O)OCNC1CCOCC1 2230a_100000741149_100000034017 [0,0,0,1,0,0|2,0,0]=3 4584 B14R1.520 CCCC(=O)OCNC1CCOCC1 34a_100000741149_100000034017 [0,0,0,1,0,0|2,0,0]=3 4585 B14R1.520 CCCC(=O)OCNC1CCSCC1 2230a_100000748639_100000034017 [0,0,0,1,0,0|2,0,0]=3 4586 B14R1.520 CCCC(=O)OCNC1CCSCC1 34a_100000748639_100000034017 [0,0,0,1,0,0|2,0,0]=3 4587 B14R1.520 CCCC(=O)OCOC1C=CCCC1 34a_100011215024_100000034017 [0,0,0,1,0,0|1,0,2]=4 4588 B14R1.520 CCCC(=O)OCOC1CC=CCC1 34a_100000073881_100000034017 [0,0,0,1,0,0|1,0,2]=4 4589 B14R1.520 CCCC(=O)OCOC1CCCCC1 34a_100000210231_100000034017 [0,0,0,1,0,0|1,0,0]=2 4590 B14R1.520 CCCC(=O)OCOC1CCCCO1 34a_100000033831_100000034017 [0,0,0,1,0,0|2,0,0]=3 4591 B14R1.520 CCCC(=O)OCOC1CCCOC1 34a_100000754041_100000034017 [0,0,0,1,0,0|2,0,0]=3 4592 B14R1.520 CCCC(=O)OCOC1CCOCC1 34a_100000744328_100000034017 [0,0,0,1,0,0|2,0,0]=3 4593 B14R1.520 CCCC(=O)OCOC1CCSCC1 34a_100000731022_100000034017 [0,0,0,1,0,0|2,0,0]=3 4594 B14R1.520 CCCC(=O)OCSC1C=CCCC1 62a_100000751183_100000034017 [0,0,0,1,0,0|1,0,2]=4 4595 B14R1.520 CCCC(=O)OCSC1CCCCC1 62a_100000210327_100000034017 [0,0,0,1,0,0|1,0,0]=2 4596 B14R1.520 CCCC(C)NCCC1CCCCC1 2230a_100000738074_100000766640 [0,0,0,1,0,0|2,0,1]=4 4597 B14R1.520 CCCC(C)NCCC1CCCCC1 2230a_100000741246_100012355289 [0,0,0,1,0,0|2,0,1]=4 4598 B14R1.520 CCCC(C)NCCC1CCCCC1 270004a_100000738074_100000211909 [0,0,0,1,0,0|2,0,1]=4 4599 B14R1.520 CCCC(C)NCCC1CCCCC1 270004a_100000741246_100011713444 [0,0,0,1,0,0|2,0,1]=4 4600 B14R1.520 CCCC(C)NCCC1CCCCC1 34a_100000738074_100000766640 [0,0,0,1,0,0|2,0,1]=4 4601 B14R1.520 CCCC(C)OCCC1CCCCC1 34a_100000764384_100011209188 [0,0,0,1,0,0|1,0,1]=3 4602 B14R1.520 CCCC(C)OCCC1CCCCC1 34a_100011217863_100000766640 [0,0,0,1,0,0|1,0,1]=3 4603 B14R1.520 CCCC(C)OCCC1CCCCC1 7a_100000764384_100011273959 [0,0,0,1,0,0|1,0,1]=3 4604 B14R1.520 CCCC(C)OCCC1CCCCC1 7a_100011217863_100000766640 [0,0,0,1,0,0|1,0,1]=3 4605 B14R1.520 CCCC(C)OCCC1CCCCN1 34a_100000211664_100000766640 [0,0,0,1,0,0|2,0,1]=4 4606 B14R1.520 CCCC(C)OCCC1CCCNC1 34a_100000752241_100000766640 [0,0,0,1,0,0|2,0,1]=4 4607 B14R1.520 CCCC(C)OCCC1CCNCC1 34a_100015190746_100000766640 [0,0,0,1,0,0|2,0,1]=4 4608 B14R1.520 CCCC(C)OCCC1CCOCC1 34a_100000764384_100011934994 [0,0,0,1,0,0|2,0,1]=4 4609 B14R1.520 CCCC(C)OCCC1CCOCC1 34a_100011933979_100000766640 [0,0,0,1,0,0|2,0,1]=4 4610 B14R1.520 CCCC(C)OCCC1CCOCC1 7a_100000764384_100011934994 [0,0,0,1,0,0|2,0,1]=4 4611 B14R1.520 CCCC(C)OCCC1CCOCC1 7a_100011933979_100000766640 [0,0,0,1,0,0|2,0,1]=4 4612 B14R1.520 CCCC(C)OCCN1CCCCC1 34a_100000764384_100000739454 [0,0,0,1,0,0|2,0,1]=4 4613 B14R1.520 CCCC(C)OCCN1CCCCC1 7a_100000764384_100000739454 [0,0,0,1,0,0|2,0,1]=4 4614 B14R1.520 CCCC(C)OCOC1CCCCC1 34a_100000764384_100011935260 [0,0,0,1,0,0|2,0,1]=4 4615 B14R1.520 CCCC(C)OCOC1CCCCC1 7a_100000764384_100011935260 [0,0,0,1,0,0|2,0,1]=4 4616 B14R1.520 CCCC(C)SCCC1CCCCC1 62a_100000766640_100012355289 [0,0,0,1,0,0|1,1,1]=4 4617 B14R1.520 CCCC(C)SCCC1CCCCC1 62a_100012355289_100000766640 [0,0,0,1,0,0|1,1,1]=4 4618 B14R1.520 CCCN(C)CCCC1CCCCC1 2230a_100000747261_100011713725 [0,0,0,1,0,0|3,0,0]=4 4619 B14R1.520 CCCN(C)CCCC1CCCCC1 269982a_100000747261_100011713725 [0,0,0,1,0,0|3,0,0]=4 4620 B14R1.520 CCNC(=O)CCCC1CCCCC1 11a_100015525214_100000211478 [0,0,0,1,0,0|2,0,0]=3 4621 B14R1.520 CCNC(=O)CCCC1CCCCC1 240690a_100015525214_100000211478 [0,0,0,1,0,0|2,0,0]=3 4622 B14R1.520 CCNC(=O)CCCC1CCCCC1 527a_100015525214_100000211478 [0,0,0,1,0,0|2,0,0]=3 4623 B14R1.520 CCNC(=O)CCCN1CCCCC1 240690a_100015525214_100000742516 [0,0,0,1,0,0|3,0,0]=4 4624 B14R1.520 CCNC(=O)CCNC1CCCCC1 2230a_100000182618_100000737597 [0,0,0,1,0,0|3,0,0]=4 4625 B14R1.520 CCNC(=O)CCNC1CCCCC1 270004a_100025743525_100000210434 [0,0,0,1,0,0|3,0,0]=4 4626 B14R1.520 CCNC(=O)CCNC1CCCCC1 34a_100025743525_100000210327 [0,0,0,1,0,0|3,0,0]=4 4627 B14R1.520 CCNC(=O)CCOC1CCCCC1 7a_100000210231_100000737597 [0,0,0,1,0,0|3,0,0]=4 4628 B14R1.520 CCNC(=O)CCSC1CCCCC1 62a_100000210327_100000737597 [0,0,0,1,0,0|3,0,0]=4 4629 B14R1.520 CCNC(=O)CCSC1CCCCC1 62a_100000737597_100000210327 [0,0,0,1,0,0|3,0,0]=4 4630 B14R1.520 CCNC(=O)CNCC1CCCCC1 2230a_100000210473_100000183381 [0,0,0,1,0,0|3,0,0]=4 4631 B14R1.520 CCNC(=O)CNCC1CCCCC1 2230a_100016988866_100000211423 [0,0,0,1,0,0|3,0,0]=4 4632 B14R1.520 CCNC(=O)CNCC1CCCCC1 34a_100000210473_100000183381 [0,0,0,1,0,0|3,0,0]=4 4633 B14R1.520 CCNC(=O)COCC1CCCCC1 34a_100000212181_100000183381 [0,0,0,1,0,0|3,0,0]=4 4634 B14R1.520 CCNC(=O)COCC1CCCCC1 7a_100000212181_100000183381 [0,0,0,1,0,0|3,0,0]=4 4635 B14R1.520 CCNC(=O)CSCC1CCCCC1 62a_100000183381_100000211423 [0,0,0,1,0,0|3,0,0]=4 4636 B14R1.520 CCNC(=O)CSCC1CCCCC1 62a_100000211423_100000183381 [0,0,0,1,0,0|3,0,0]=4 4637 B14R1.520 CCNC(=O)NCCC1CCCCC1 2708a_100000738074_100015525214 [0,0,0,1,0,0|2,0,0]=3 4638 B14R1.520 CCNC(=O)NCCC1CCCCC1 2708a_100015525214_100000738074 [0,0,0,1,0,0|2,0,0]=3 4639 B14R1.520 CCNC(=O)NCCC1CCCCC1 273464a_100000738074_100015525214 [0,0,0,1,0,0|2,0,0]=3 4640 B14R1.520 CCNC(=O)NCCC1CCCCC1 273464a_100015525214_100000738074 [0,0,0,1,0,0|2,0,0]=3 4641 B14R1.520 CCNC(=O)NCCC1CCCCC1 512a_100000738074_100015525214 [0,0,0,1,0,0|2,0,0]=3 4642 B14R1.520 CCNC(=O)NCCC1CCCCC1 512a_100015525214_100000738074 [0,0,0,1,0,0|2,0,0]=3 4643 B14R1.520 CCNC(=O)NCCC1CCCCO1 2708a_100015183643_100015525214 [0,0,0,1,0,0|3,0,0]=4 4644 B14R1.520 CCNC(=O)NCCC1CCCCO1 2708a_100015525214_100015183643 [0,0,0,1,0,0|3,0,0]=4 4645 B14R1.520 CCNC(=O)NCCC1CCCCO1 273464a_100015183643_100015525214 [0,0,0,1,0,0|3,0,0]=4 4646 B14R1.520 CCNC(=O)NCCC1CCCCO1 273464a_100015525214_100015183643 [0,0,0,1,0,0|3,0,0]=4 4647 B14R1.520 CCNC(=O)NCCC1CCCCO1 512a_100015183643_100015525214 [0,0,0,1,0,0|3,0,0]=4 4648 B14R1.520 CCNC(=O)NCCC1CCCCO1 512a_100015525214_100015183643 [0,0,0,1,0,0|3,0,0]=4 4649 B14R1.520 CCNC(=O)NCCC1CCOCC1 2708a_100000755988_100015525214 [0,0,0,1,0,0|3,0,0]=4 4650 B14R1.520 CCNC(=O)NCCC1CCOCC1 2708a_100015525214_100000755988 [0,0,0,1,0,0|3,0,0]=4 4651 B14R1.520 CCNC(=O)NCCC1CCOCC1 273464a_100000755988_100015525214 [0,0,0,1,0,0|3,0,0]=4 4652 B14R1.520 CCNC(=O)NCCC1CCOCC1 273464a_100015525214_100000755988 [0,0,0,1,0,0|3,0,0]=4 4653 B14R1.520 CCNC(=O)NCCC1CCOCC1 512a_100000755988_100015525214 [0,0,0,1,0,0|3,0,0]=4 4654 B14R1.520 CCNC(=O)NCCC1CCOCC1 512a_100015525214_100000755988 [0,0,0,1,0,0|3,0,0]=4 4655 B14R1.520 CCNC(=O)NCCN1CCCCC1 2708a_100015525214_100000216509 [0,0,0,1,0,0|3,0,0]=4 4656 B14R1.520 CCNC(=O)NCCN1CCCCC1 273464a_100000216509_100015525214 [0,0,0,1,0,0|3,0,0]=4 4657 B14R1.520 CCNC(=O)NCCN1CCCCC1 273464a_100015525214_100000216509 [0,0,0,1,0,0|3,0,0]=4 4658 B14R1.520 CCNC(=O)NNCC1CCCCC1 273464a_100015525214_100000740227 [0,0,0,1,0,0|3,0,0]=4 4659 B14R1.520 CCNC(=O)NNCC1CCCCC1 512a_100015525214_100000740227 [0,0,0,1,0,0|3,0,0]=4 4660 B14R1.520 CCOC(=O)CCNC1CCCCC1 2230a_100000182618_100011206558 [0,0,0,1,0,0|3,0,0]=4 4661 B14R1.520 CCOC(=O)CCNC1CCCCC1 34a_100000182618_100000765890 [0,0,0,1,0,0|3,0,0]=4 4662 B14R1.520 CCOC(=O)CCOC1CCCCC1 34a_100000210231_100000765890 [0,0,0,1,0,0|3,0,0]=4 4663 B14R1.520 CCOC(=O)CCOC1CCCCC1 7a_100000210231_100011206558 [0,0,0,1,0,0|3,0,0]=4 4664 B14R1.520 CCOC(=O)CCSC1CCCCC1 62a_100000210327_100000765890 [0,0,0,1,0,0|3,0,0]=4 4665 B14R1.520 CCOC(=O)CCSC1CCCCC1 62a_100000765890_100000210327 [0,0,0,1,0,0|3,0,0]=4 4666 B14R1.520 CCOC(=O)CNCC1CCCCC1 2230a_100000210473_100000188475 [0,0,0,1,0,0|3,0,0]=4 4667 B14R1.520 CCOC(=O)CNCC1CCCCC1 34a_100000210473_100000188475 [0,0,0,1,0,0|3,0,0]=4 4668 B14R1.520 CCOC(=O)COCC1CCCCC1 34a_100000212181_100000188475 [0,0,0,1,0,0|3,0,0]=4 4669 B14R1.520 CCOC(=O)COCC1CCCCC1 7a_100000212181_100000188475 [0,0,0,1,0,0|3,0,0]=4 4670 B14R1.520 CCOC(=O)CSCC1CCCCC1 62a_100000188475_100000211423 [0,0,0,1,0,0|3,0,0]=4 4671 B14R1.520 CCOC(=O)CSCC1CCCCC1 62a_100000211423_100000188475 [0,0,0,1,0,0|3,0,0]=4 4672 B14R1.520 CCOC(=O)OCSC1CCCCC1 62a_100000210327_100000075025 [0,0,0,1,0,0|2,0,0]=3 4673 B14R1.520 CNNC(=O)CCCC1CCCCC1 22a_100016993582_100000211478 [0,0,0,1,0,0|3,0,0]=4 4674 B14R1.520 CNNC(=O)NCCC1CCCCC1 273464a_100000738074_100016993582 [0,0,0,1,0,0|3,0,0]=4 4675 B14R1.520 CNNC(=O)NCCC1CCCCC1 512a_100000738074_100016993582 [0,0,0,1,0,0|3,0,0]=4 4676 B14R1.520 CNNC(=O)NCCC1CCCCC1 512a_100016993582_100000738074 [0,0,0,1,0,0|3,0,0]=4 4677 B14R1.520 COCC(=O)CCCC1CCCCC1 1458a_100000210968_100011713725 [0,0,0,1,0,0|2,0,0]=3 4678 B14R1.520 COCC(=O)CCCN1CCCCC1 1458a_100000210968_100000690320 [0,0,0,1,0,0|3,0,0]=4 4679 B14R1.520 COCC(=O)CCOC1CCCCC1 1458a_100000210968_100011211530 [0,0,0,1,0,0|3,0,0]=4 4680 B14R1.520 COCC(=O)NCCC1CCCCC1 11a_100000738074_100000210968 [0,0,0,1,0,0|2,0,0]=3 4681 B14R1.520 COCC(=O)NCCC1CCCCC1 1626a_100000738074_100000210968 [0,0,0,1,0,0|2,0,0]=3 4682 B14R1.520 COCC(=O)NCCC1CCCCC1 240690a_100000738074_100000210968 [0,0,0,1,0,0|2,0,0]=3 4683 B14R1.520 COCC(=O)NCCC1CCCCC1 527a_100000738074_100000210968 [0,0,0,1,0,0|2,0,0]=3 4684 B14R1.520 COCC(=O)NCCC1CCCCO1 11a_100015183643_100000210968 [0,0,0,1,0,0|3,0,0]=4 4685 B14R1.520 COCC(=O)NCCC1CCCCO1 1626a_100015183643_100000210968 [0,0,0,1,0,0|3,0,0]=4 4686 B14R1.520 COCC(=O)NCCC1CCCCO1 240690a_100015183643_100000210968 [0,0,0,1,0,0|3,0,0]=4 4687 B14R1.520 COCC(=O)NCCC1CCCCO1 527a_100015183643_100000210968 [0,0,0,1,0,0|3,0,0]=4 4688 B14R1.520 COCC(=O)NCCC1CCOCC1 11a_100000755988_100000210968 [0,0,0,1,0,0|3,0,0]=4 4689 B14R1.520 COCC(=O)NCCC1CCOCC1 1626a_100000755988_100000210968 [0,0,0,1,0,0|3,0,0]=4 4690 B14R1.520 COCC(=O)NCCC1CCOCC1 240690a_100000755988_100000210968 [0,0,0,1,0,0|3,0,0]=4 4691 B14R1.520 COCC(=O)NCCC1CCOCC1 527a_100000755988_100000210968 [0,0,0,1,0,0|3,0,0]=4 4692 B14R1.520 COCC(=O)NCCN1CCCCC1 240690a_100000216509_100000210968 [0,0,0,1,0,0|3,0,0]=4 4693 B14R1.520 COCC(=O)NCCN1CCCCC1 527a_100000216509_100000210968 [0,0,0,1,0,0|3,0,0]=4 4694 B14R1.520 COCC(=O)NNCC1CCCCC1 22a_100000740227_100000210968 [0,0,0,1,0,0|3,0,0]=4 4695 B14R1.520 COCC(C)OCCC1CCCCC1 34a_100011217863_100000765312 [0,0,0,1,0,0|2,0,1]=4 4696 B14R1.520 COCC(C)OCCC1CCCCC1 7a_100011217863_100000765312 [0,0,0,1,0,0|2,0,1]=4 4697 B14R1.520 COC[C@@H](C)OCCC1CCCCC1 34a_100011934205_100011209188 [0,0,0,1,0,0|2,0,1]=4 4698 B14R1.520 CSCC(=O)CCCC1CCCCC1 1458a_100000184570_100011713725 [0,0,0,1,0,0|2,0,0]=3 4699 B14R1.520 CSCC(=O)CCCN1CCCCC1 1458a_100000184570_100000690320 [0,0,0,1,0,0|3,0,0]=4 4700 B14R1.520 CSCC(=O)CCOC1CCCCC1 1458a_100000184570_100011211530 [0,0,0,1,0,0|3,0,0]=4 4701 B14R1.520 CSCC(=O)NCCC1CCCCC1 11a_100000738074_100000184570 [0,0,0,1,0,0|2,0,0]=3 4702 B14R1.520 CSCC(=O)NCCC1CCCCC1 1626a_100000738074_100000184570 [0,0,0,1,0,0|2,0,0]=3 4703 B14R1.520 CSCC(=O)NCCC1CCCCC1 240690a_100000738074_100000184570 [0,0,0,1,0,0|2,0,0]=3 4704 B14R1.520 CSCC(=O)NCCC1CCCCC1 527a_100000738074_100000184570 [0,0,0,1,0,0|2,0,0]=3 4705 B14R1.520 CSCC(=O)NCCC1CCCCO1 11a_100015183643_100000184570 [0,0,0,1,0,0|3,0,0]=4 4706 B14R1.520 CSCC(=O)NCCC1CCCCO1 1626a_100015183643_100000184570 [0,0,0,1,0,0|3,0,0]=4 4707 B14R1.520 CSCC(=O)NCCC1CCCCO1 240690a_100015183643_100000184570 [0,0,0,1,0,0|3,0,0]=4 4708 B14R1.520 CSCC(=O)NCCC1CCCCO1 527a_100015183643_100000184570 [0,0,0,1,0,0|3,0,0]=4 4709 B14R1.520 CSCC(=O)NCCC1CCOCC1 11a_100000755988_100000184570 [0,0,0,1,0,0|3,0,0]=4 4710 B14R1.520 CSCC(=O)NCCC1CCOCC1 1626a_100000755988_100000184570 [0,0,0,1,0,0|3,0,0]=4 4711 B14R1.520 CSCC(=O)NCCC1CCOCC1 240690a_100000755988_100000184570 [0,0,0,1,0,0|3,0,0]=4 4712 B14R1.520 CSCC(=O)NCCC1CCOCC1 527a_100000755988_100000184570 [0,0,0,1,0,0|3,0,0]=4 4713 B14R1.520 CSCC(=O)NCCN1CCCCC1 240690a_100000216509_100000184570 [0,0,0,1,0,0|3,0,0]=4 4714 B14R1.520 CSCC(=O)NCCN1CCCCC1 527a_100000216509_100000184570 [0,0,0,1,0,0|3,0,0]=4 4715 B14R1.520 CSCC(=O)NNCC1CCCCC1 22a_100000740227_100000184570 [0,0,0,1,0,0|3,0,0]=4 4716 B14R1.520 N#CCC(=O)CCCC1CCCCC1 1458a_100000211478_100011214920 [0,0,0,1,0,0|2,0,1]=4 4717 B14R1.520 N#CCC(=O)CCCC1CCCCC1 1458a_100051588842_100011713725 [0,0,0,1,0,0|2,0,1]=4 4718 B14R1.520 N#CCC(=O)NCCC1CCCCC1 1626a_100000738074_100051588842 [0,0,0,1,0,0|2,0,1]=4 4719 B14R1.520 N#CCC(=O)NCCC1CCCCC1 240690a_100000738074_100051588842 [0,0,0,1,0,0|2,0,1]=4 4720 B14R1.520 O=C(CCF)CCCC1CCCCC1 1458a_100000211478_100011217306 [0,0,0,1,0,0|2,0,0]=3 4721 B14R1.520 O=C(CCF)CCCN1CCCCC1 1458a_100000742516_100011217306 [0,0,0,1,0,0|3,0,0]=4 4722 B14R1.520 O=C(CCO)CCCC1CCCCC1 1458a_100000211478_100000211926 [0,0,0,1,0,0|2,0,0]=3 4723 B14R1.520 O=C(CCO)CCCC1CCCCC1 1458a_100011216618_100011713725 [0,0,0,1,0,0|2,0,0]=3 4724 B14R1.520 O=C(CCO)CCCN1CCCCC1 1458a_100000742516_100000211926 [0,0,0,1,0,0|3,0,0]=4 4725 B14R1.520 O=C(CCO)CCCN1CCCCC1 1458a_100011216618_100000690320 [0,0,0,1,0,0|3,0,0]=4 4726 B14R1.520 O=C(CCO)CCOC1CCCCC1 1458a_100011216618_100011211530 [0,0,0,1,0,0|3,0,0]=4 4727 B14R1.520 O=C(CCO)NCCC1CCCCC1 240690a_100000738074_100011216618 [0,0,0,1,0,0|2,0,0]=3 4728 B14R1.520 O=C(CCO)NCCC1CCCCO1 240690a_100015183643_100011216618 [0,0,0,1,0,0|3,0,0]=4 4729 B14R1.520 O=C(CCO)NCCC1CCOCC1 240690a_100000755988_100011216618 [0,0,0,1,0,0|3,0,0]=4 4730 B14R1.520 O=C(CCO)NCCN1CCCCC1 240690a_100000216509_100011216618 [0,0,0,1,0,0|3,0,0]=4 4731 B14R1.520 O=C(CCO)NNCC1CCCCC1 22a_100000740227_100011216618 [0,0,0,1,0,0|3,0,0]=4 4732 B14R1.598 CC1CCCCC1OCC(=O)CCF 1458a_100011223357_100011217306 [0,0,0,1,0,0|3,0,0]=4 4733 B14R1.598 CC1CCCCC1OCC(=O)CCO 1458a_100011223357_100000211926 [0,0,0,1,0,0|3,0,0]=4 4734 B14R1.598 CCCC(=O)CCC1CCCCN1C 1458a_100000211992_100000211948 [0,0,0,1,0,0|2,0,0]=3 4735 B14R1.598 CCCC(=O)CCC1CCCCN1C 1458a_100000718493_100000210303 [0,0,0,1,0,0|2,0,0]=3 4736 B14R1.598 CCCC(=O)CNC1CCCCC1C 2230a_100000211402_100000747444 [0,0,0,1,0,0|2,0,0]=3 4737 B14R1.598 CCCC(=O)CN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000747444 [0,0,0,1,0,0|3,0,0]=4 4738 B14R1.598 CCCC(=O)COC1CCCCC1C 1458a_100011223357_100000210303 [0,0,0,1,0,0|2,0,0]=3 4739 B14R1.598 CCCC(=O)COC1CCCCC1C 7a_100000211207_100000747444 [0,0,0,1,0,0|2,0,0]=3 4740 B14R1.598 CCCC(=O)COC1CCCCC1Cl 7a_100000038908_100000747444 [0,0,0,1,0,0|3,0,0]=4 4741 B14R1.598 CCCC(=O)CO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000747444 [0,0,0,1,0,0|3,0,0]=4 4742 B14R1.598 CCCC(=O)CSC1CCCCC1F 62a_100000747444_100015423560 [0,0,0,1,0,0|3,0,0]=4 4743 B14R1.598 CCCC(=O)CSC1CCCCC1F 62a_100015423560_100000747444 [0,0,0,1,0,0|3,0,0]=4 4744 B14R1.598 CCCC(=O)CSC1CCCCC1O 62a_100000038908_100000747444 [0,0,0,1,0,0|3,0,0]=4 4745 B14R1.598 CCCC(=O)CSC1CCCCC1O 62a_100000747444_100000038908 [0,0,0,1,0,0|3,0,0]=4 4746 B14R1.598 CCCC(=O)NCC1CCCCC1O 240690a_100011216029_100000211992 [0,0,0,1,0,0|2,0,0]=3 4747 B14R1.598 CCCC(=O)NCC1CCCCC1O 527a_100011216029_100000211992 [0,0,0,1,0,0|2,0,0]=3 4748 B14R1.598 CCCC(=O)NCC1CCCCN1C 240690a_100011228421_100000211992 [0,0,0,1,0,0|2,0,0]=3 4749 B14R1.598 CCCC(=O)NCC1CCCCN1C 527a_100011228421_100000211992 [0,0,0,1,0,0|2,0,0]=3 4750 B14R1.598 CCCC(=O)NN=C1CCCCC1C 4a_100000189770_100000210921 [0,0,0,1,0,0|2,0,1]=4 4751 B14R1.598 CCCC(=O)OCN1CCCCC1C 2230a_100000211376_100000034017 [0,0,0,1,0,0|1,0,0]=2 4752 B14R1.598 CCCC(=O)OCN1CCCCC1C 269982a_100000211376_100000034017 [0,0,0,1,0,0|1,0,0]=2 4753 B14R1.598 CCCC(=O)OCN1CCCCC1C 34a_100000211376_100000034017 [0,0,0,1,0,0|1,0,0]=2 4754 B14R1.598 CCCC(=O)OCN1CCOC[C@@H]1C 2230a_100009815349_100000034017 [0,0,0,1,0,0|2,0,0]=3 4755 B14R1.598 CCCC(=O)OCN1CCOC[C@@H]1C 269982a_100009815349_100000034017 [0,0,0,1,0,0|2,0,0]=3 4756 B14R1.598 CCCC(=O)OCN1CCOC[C@@H]1C 34a_100009815349_100000034017 [0,0,0,1,0,0|2,0,0]=3 4757 B14R1.598 CCCC(C)OCC1CCCCN1C 34a_100000225079_100000766640 [0,0,0,1,0,0|2,0,1]=4 4758 B14R1.598 CCCC(C)OCC1CCCCN1C 34a_100000764384_100015186950 [0,0,0,1,0,0|2,0,1]=4 4759 B14R1.598 CCCC(C)OCC1CCCCN1C 7a_100000764384_100015185383 [0,0,0,1,0,0|2,0,1]=4 4760 B14R1.598 CCNC(=O)CCC1CCCCN1C 240690a_100015525214_100000718493 [0,0,0,1,0,0|3,0,0]=4 4761 B14R1.598 CCNC(=O)CCC1CCCCN1C 527a_100015525214_100000718493 [0,0,0,1,0,0|3,0,0]=4 4762 B14R1.598 CCNC(=O)CCN1CCCCC1C 2230a_100000211376_100000737597 [0,0,0,1,0,0|3,0,0]=4 4763 B14R1.598 CCNC(=O)CCN1CCCCC1C 240690a_100015525214_100000727554 [0,0,0,1,0,0|3,0,0]=4 4764 B14R1.598 CCNC(=O)CCN1CCCCC1C 269982a_100000211376_100000737597 [0,0,0,1,0,0|3,0,0]=4 4765 B14R1.598 CCNC(=O)CNC1CCCCC1C 2230a_100000211402_100000183381 [0,0,0,1,0,0|3,0,0]=4 4766 B14R1.598 CCNC(=O)CNC1CCCCC1C 270004a_100016988866_100000210921 [0,0,0,1,0,0|3,0,0]=4 4767 B14R1.598 CCNC(=O)CNC1CCCCC1C 34a_100000211402_100000183381 [0,0,0,1,0,0|3,0,0]=4 4768 B14R1.598 CCNC(=O)COC1CCCCC1C 11a_100015525214_100011223357 [0,0,0,1,0,0|3,0,0]=4 4769 B14R1.598 CCNC(=O)COC1CCCCC1C 240690a_100015525214_100011223357 [0,0,0,1,0,0|3,0,0]=4 4770 B14R1.598 CCNC(=O)COC1CCCCC1C 34a_100000211207_100000183381 [0,0,0,1,0,0|3,0,0]=4 4771 B14R1.598 CCNC(=O)COC1CCCCC1C 527a_100015525214_100011223357 [0,0,0,1,0,0|3,0,0]=4 4772 B14R1.598 CCNC(=O)COC1CCCCC1C 7a_100000211207_100000183381 [0,0,0,1,0,0|3,0,0]=4 4773 B14R1.598 CCNC(=O)NCC1CCCCC1O 2708a_100015525214_100011216029 [0,0,0,1,0,0|3,0,0]=4 4774 B14R1.598 CCNC(=O)NCC1CCCCC1O 273464a_100015525214_100011216029 [0,0,0,1,0,0|3,0,0]=4 4775 B14R1.598 CCNC(=O)NCC1CCCCC1O 512a_100015525214_100011216029 [0,0,0,1,0,0|3,0,0]=4 4776 B14R1.598 CCNC(=O)NCC1CCCCN1C 2708a_100011228421_100015525214 [0,0,0,1,0,0|3,0,0]=4 4777 B14R1.598 CCNC(=O)NCC1CCCCN1C 2708a_100015525214_100011228421 [0,0,0,1,0,0|3,0,0]=4 4778 B14R1.598 CCNC(=O)NCC1CCCCN1C 273464a_100011228421_100015525214 [0,0,0,1,0,0|3,0,0]=4 4779 B14R1.598 CCNC(=O)NCC1CCCCN1C 273464a_100015525214_100011228421 [0,0,0,1,0,0|3,0,0]=4 4780 B14R1.598 CCNC(=O)NCC1CCCCN1C 512a_100011228421_100015525214 [0,0,0,1,0,0|3,0,0]=4 4781 B14R1.598 CCNC(=O)NCC1CCCCN1C 512a_100015525214_100011228421 [0,0,0,1,0,0|3,0,0]=4 4782 B14R1.598 CCOC(=O)CCN1CCCCC1C 2230a_100000211376_100011206558 [0,0,0,1,0,0|3,0,0]=4 4783 B14R1.598 CCOC(=O)CCN1CCCCC1C 269982a_100000211376_100011206558 [0,0,0,1,0,0|3,0,0]=4 4784 B14R1.598 CCOC(=O)CCN1CCCCC1C 34a_100000211376_100000765890 [0,0,0,1,0,0|3,0,0]=4 4785 B14R1.598 CCOC(=O)CNC1CCCCC1C 2230a_100000211402_100000188475 [0,0,0,1,0,0|3,0,0]=4 4786 B14R1.598 CCOC(=O)CNC1CCCCC1C 34a_100000211402_100000188475 [0,0,0,1,0,0|3,0,0]=4 4787 B14R1.598 CCOC(=O)COC1CCCCC1C 34a_100000211207_100000188475 [0,0,0,1,0,0|3,0,0]=4 4788 B14R1.598 CCOC(=O)COC1CCCCC1C 7a_100000211207_100000188475 [0,0,0,1,0,0|3,0,0]=4 4789 B14R1.598 CN1CCCCC1CCC(=O)CCF 1458a_100000718493_100011217306 [0,0,0,1,0,0|3,0,0]=4 4790 B14R1.598 CN1CCCCC1CCC(=O)CCO 1458a_100000718493_100000211926 [0,0,0,1,0,0|3,0,0]=4 4791 B14R1.598 CN1CCCCC1CCC(=O)CCO 1458a_100011216618_100000211948 [0,0,0,1,0,0|3,0,0]=4 4792 B14R1.598 CN1CCCCC1CNC(=O)CCO 240690a_100011228421_100011216618 [0,0,0,1,0,0|3,0,0]=4 4793 B14R1.598 COCC(=O)CCC1CCCCN1C 1458a_100000210968_100000211948 [0,0,0,1,0,0|3,0,0]=4 4794 B14R1.598 COCC(=O)NCC1CCCCC1O 240690a_100011216029_100000210968 [0,0,0,1,0,0|3,0,0]=4 4795 B14R1.598 COCC(=O)NCC1CCCCC1O 527a_100011216029_100000210968 [0,0,0,1,0,0|3,0,0]=4 4796 B14R1.598 COCC(=O)NCC1CCCCN1C 240690a_100011228421_100000210968 [0,0,0,1,0,0|3,0,0]=4 4797 B14R1.598 COCC(=O)NCC1CCCCN1C 527a_100011228421_100000210968 [0,0,0,1,0,0|3,0,0]=4 4798 B14R1.598 CSCC(=O)CCC1CCCCN1C 1458a_100000184570_100000211948 [0,0,0,1,0,0|3,0,0]=4 4799 B14R1.598 CSCC(=O)NCC1CCCCC1O 240690a_100011216029_100000184570 [0,0,0,1,0,0|3,0,0]=4 4800 B14R1.598 CSCC(=O)NCC1CCCCC1O 527a_100011216029_100000184570 [0,0,0,1,0,0|3,0,0]=4 4801 B14R1.598 CSCC(=O)NCC1CCCCN1C 240690a_100011228421_100000184570 [0,0,0,1,0,0|3,0,0]=4 4802 B14R1.598 CSCC(=O)NCC1CCCCN1C 527a_100011228421_100000184570 [0,0,0,1,0,0|3,0,0]=4 4803 B14R1.598 O=C(CCO)NCC1CCCCC1O 240690a_100011216029_100011216618 [0,0,0,1,0,0|3,0,0]=4 4804 B14R1.609 C#CCC(=O)NCCCC1CCCC1 1626a_100000736752_100011220946 [0,0,0,1,0,0|1,0,2]=4 4805 B14R1.609 C#CCC(=O)NCCCC1CCCC1 527a_100000736752_100011220946 [0,0,0,1,0,0|1,0,2]=4 4806 B14R1.609 C=CCC(=O)NCCCC1CCCC1 11a_100000736752_100000210193 [0,0,0,1,0,0|1,0,2]=4 4807 B14R1.609 C=CCC(=O)NCCCC1CCCC1 1626a_100000736752_100000210193 [0,0,0,1,0,0|1,0,2]=4 4808 B14R1.609 C=CCC(=O)NCCCC1CCCC1 240690a_100000736752_100000210193 [0,0,0,1,0,0|1,0,2]=4 4809 B14R1.609 C=CCC(=O)NCCCC1CCCC1 527a_100000736752_100000210193 [0,0,0,1,0,0|1,0,2]=4 4810 B14R1.609 CC(CCBr)OCCCC1CCCC1 34a_100012276601_100011713738 [0,0,0,1,0,0|2,0,1]=4 4811 B14R1.609 CC(CCO)OCCCC1CCCC1 34a_100011215328_100009893172 [0,0,0,1,0,0|2,0,1]=4 4812 B14R1.609 CC(CCO)OCCCC1CCCC1 7a_100011215328_100009893172 [0,0,0,1,0,0|2,0,1]=4 4813 B14R1.609 CC=CC(=O)NCCCC1CCCC1 11a_100000736752_100000210699 [0,0,0,1,0,0|1,0,2]=4 4814 B14R1.609 CC=CC(=O)NCCCC1CCCC1 1626a_100000736752_100000210699 [0,0,0,1,0,0|1,0,2]=4 4815 B14R1.609 CC=CC(=O)NCCCC1CCCC1 240690a_100000736752_100000210699 [0,0,0,1,0,0|1,0,2]=4 4816 B14R1.609 CCCC(=O)CCCCC1OCCO1 1458a_100000211992_100000034956 [0,0,0,1,0,0|3,0,0]=4 4817 B14R1.609 CCCC(=O)CCCC[C@@H]1CCSS1 1458a_100009816572_100000210303 [0,0,0,1,0,0|3,0,0]=4 4818 B14R1.609 CCCC(=O)CNCCC1CCCC1 2230a_100000739158_100000747444 [0,0,0,1,0,0|2,0,0]=3 4819 B14R1.609 CCCC(=O)COCCC1CCCC1 7a_100000749090_100000747444 [0,0,0,1,0,0|2,0,0]=3 4820 B14R1.609 CCCC(=O)CSCCC1CCCC1 62a_100000747444_100000760354 [0,0,0,1,0,0|2,0,0]=3 4821 B14R1.609 CCCC(=O)CSCCC1CCCC1 62a_100000760354_100000747444 [0,0,0,1,0,0|2,0,0]=3 4822 B14R1.609 CCCC(=O)CSCCN1CCCC1 1458a_200015187850_100000210303 [0,0,0,1,0,0|3,0,0]=4 4823 B14R1.609 CCCC(=O)CSCCN1CCCC1 62a_100000700749_100000747444 [0,0,0,1,0,0|3,0,0]=4 4824 B14R1.609 CCCC(=O)CSCCN1CCCC1 62a_100000747444_100000004467 [0,0,0,1,0,0|3,0,0]=4 4825 B14R1.609 CCCC(=O)NCCCC1CCCC1 11a_100000736752_100000211992 [0,0,0,1,0,0|1,0,0]=2 4826 B14R1.609 CCCC(=O)NCCCC1CCCC1 1626a_100000736752_100000211992 [0,0,0,1,0,0|1,0,0]=2 4827 B14R1.609 CCCC(=O)NCCCC1CCCC1 240690a_100000736752_100000211992 [0,0,0,1,0,0|1,0,0]=2 4828 B14R1.609 CCCC(=O)NCCCC1CCCC1 527a_100000736752_100000211992 [0,0,0,1,0,0|1,0,0]=2 4829 B14R1.609 CCCC(=O)NCCCN1CCCC1 240690a_100000204695_100000211992 [0,0,0,1,0,0|2,0,0]=3 4830 B14R1.609 CCCC(=O)NCCOC1CCCC1 11a_100000741755_100000211992 [0,0,0,1,0,0|2,0,0]=3 4831 B14R1.609 CCCC(=O)NCCOC1CCCC1 1626a_100000741755_100000211992 [0,0,0,1,0,0|2,0,0]=3 4832 B14R1.609 CCCC(=O)NCCOC1CCCC1 240690a_100000741755_100000211992 [0,0,0,1,0,0|2,0,0]=3 4833 B14R1.609 CCCC(=O)NCCOC1CCCC1 527a_100000741755_100000211992 [0,0,0,1,0,0|2,0,0]=3 4834 B14R1.609 CCCC(=O)OCNCC1CCCC1 2230a_100000737975_100000034017 [0,0,0,1,0,0|1,0,0]=2 4835 B14R1.609 CCCC(=O)OCNCC1CCCC1 34a_100000737975_100000034017 [0,0,0,1,0,0|1,0,0]=2 4836 B14R1.609 CCCC(=O)OCNCC1CCOC1 2230a_100000737293_100000034017 [0,0,0,1,0,0|2,0,0]=3 4837 B14R1.609 CCCC(=O)OCNCC1CCOC1 34a_100000737293_100000034017 [0,0,0,1,0,0|2,0,0]=3 4838 B14R1.609 CCCC(=O)OCNCC1OCCO1 2230a_100000036311_100000034017 [0,0,0,1,0,0|3,0,0]=4 4839 B14R1.609 CCCC(=O)OCNCC1OCCO1 34a_100000036311_100000034017 [0,0,0,1,0,0|3,0,0]=4 4840 B14R1.609 CCCC(=O)OCNC[C@@H]1CCCO1 2230a_100020590478_100000034017 [0,0,0,1,0,0|2,0,0]=3 4841 B14R1.609 CCCC(=O)OCNC[C@@H]1CCCO1 34a_100020590478_100000034017 [0,0,0,1,0,0|2,0,0]=3 4842 B14R1.609 CCCC(=O)OCOCC1CC=CC1 34a_100000688395_100000034017 [0,0,0,1,0,0|1,0,2]=4 4843 B14R1.609 CCCC(=O)OCOCC1CCCC1 34a_100000742336_100000034017 [0,0,0,1,0,0|1,0,0]=2 4844 B14R1.609 CCCC(=O)OCOCC1CCCO1 34a_100000210270_100000034017 [0,0,0,1,0,0|2,0,0]=3 4845 B14R1.609 CCCC(=O)OCOCC1CCNC1 34a_100000748654_100000034017 [0,0,0,1,0,0|2,0,0]=3 4846 B14R1.609 CCCC(=O)OCOCC1CCOC1 34a_100000740260_100000034017 [0,0,0,1,0,0|2,0,0]=3 4847 B14R1.609 CCCC(=O)OCOCC1COCO1 34a_100011216627_100000034017 [0,0,0,1,0,0|3,0,0]=4 4848 B14R1.609 CCCC(=O)OCOCC1OCCO1 34a_100000087154_100000034017 [0,0,0,1,0,0|3,0,0]=4 4849 B14R1.609 CCCC(=O)OCOC[C@H]1CCCN1 34a_100000745186_100000034017 [0,0,0,1,0,0|2,0,0]=3 4850 B14R1.609 CCCC(=O)OCSCC1CCCC1 62a_100000740388_100000034017 [0,0,0,1,0,0|1,0,0]=2 4851 B14R1.609 CCCC(=O)OCSCC1CCCO1 62a_100000203698_100000034017 [0,0,0,1,0,0|2,0,0]=3 4852 B14R1.609 CCCC(=O)OCSCC1CCOC1 62a_100000702531_100000034017 [0,0,0,1,0,0|2,0,0]=3 4853 B14R1.609 CCCC(=O)OCSCC1OCCO1 62a_100000755774_100000034017 [0,0,0,1,0,0|3,0,0]=4 4854 B14R1.609 CCCC(C)NCCCC1CCCC1 2230a_100000736752_100000766640 [0,0,0,1,0,0|2,0,1]=4 4855 B14R1.609 CCCC(C)NCCCC1CCCC1 2230a_100000741246_100011713738 [0,0,0,1,0,0|2,0,1]=4 4856 B14R1.609 CCCC(C)NCCCC1CCCC1 270004a_100000736752_100000211909 [0,0,0,1,0,0|2,0,1]=4 4857 B14R1.609 CCCC(C)NCCCC1CCCC1 34a_100000736752_100000766640 [0,0,0,1,0,0|2,0,1]=4 4858 B14R1.609 CCCC(C)OCCCC1CCCC1 34a_100000764384_100011713738 [0,0,0,1,0,0|1,0,1]=3 4859 B14R1.609 CCCC(C)OCCCC1CCCC1 34a_100011215328_100000766640 [0,0,0,1,0,0|1,0,1]=3 4860 B14R1.609 CCCC(C)OCCCC1CCCC1 7a_100000764384_100011713738 [0,0,0,1,0,0|1,0,1]=3 4861 B14R1.609 CCCC(C)OCCCC1CCCC1 7a_100011215328_100000766640 [0,0,0,1,0,0|1,0,1]=3 4862 B14R1.609 CCCC(C)OCCCN1CCCC1 34a_100000764384_100016991639 [0,0,0,1,0,0|2,0,1]=4 4863 B14R1.609 CCCC(C)OCCCN1CCCC1 7a_100000764384_100011445909 [0,0,0,1,0,0|2,0,1]=4 4864 B14R1.609 CCCC(C)OCCNC1CCCC1 34a_200000200444_100000766640 [0,0,0,1,0,0|2,0,1]=4 4865 B14R1.609 CCCC(C)OCCOC1CCCC1 34a_100000738311_100000766640 [0,0,0,1,0,0|2,0,1]=4 4866 B14R1.609 CCCC(C)OCCOC1CCCC1 7a_100000738311_100000766640 [0,0,0,1,0,0|2,0,1]=4 4867 B14R1.609 CCCC(C)SCCCC1CCCC1 62a_100000766640_100011713738 [0,0,0,1,0,0|1,1,1]=4 4868 B14R1.609 CCCC(C)SCCCC1CCCC1 62a_100011713738_100000766640 [0,0,0,1,0,0|1,1,1]=4 4869 B14R1.609 CCNC(=O)CCNCC1CCCC1 2230a_100000737975_100000737597 [0,0,0,1,0,0|3,0,0]=4 4870 B14R1.609 CCNC(=O)CCNCC1CCCC1 269862a_100025743525_100000746403 [0,0,0,1,0,0|3,0,0]=4 4871 B14R1.609 CCNC(=O)CCNCC1CCCC1 34a_100025743525_100000740388 [0,0,0,1,0,0|3,0,0]=4 4872 B14R1.609 CCNC(=O)CCOCC1CCCC1 7a_100000742336_100000737597 [0,0,0,1,0,0|3,0,0]=4 4873 B14R1.609 CCNC(=O)CCSCC1CCCC1 62a_100000737597_100000740388 [0,0,0,1,0,0|3,0,0]=4 4874 B14R1.609 CCNC(=O)CCSCC1CCCC1 62a_100000740388_100000737597 [0,0,0,1,0,0|3,0,0]=4 4875 B14R1.609 CCNC(=O)CNCCC1CCCC1 2230a_100000739158_100000183381 [0,0,0,1,0,0|3,0,0]=4 4876 B14R1.609 CCNC(=O)CNCCC1CCCC1 2230a_100016988866_100000760354 [0,0,0,1,0,0|3,0,0]=4 4877 B14R1.609 CCNC(=O)CNCCC1CCCC1 34a_100000739158_100000183381 [0,0,0,1,0,0|3,0,0]=4 4878 B14R1.609 CCNC(=O)COCCC1CCCC1 34a_100000749090_100000183381 [0,0,0,1,0,0|3,0,0]=4 4879 B14R1.609 CCNC(=O)COCCC1CCCC1 7a_100000749090_100000183381 [0,0,0,1,0,0|3,0,0]=4 4880 B14R1.609 CCNC(=O)CSCCC1CCCC1 62a_100000183381_100000760354 [0,0,0,1,0,0|3,0,0]=4 4881 B14R1.609 CCNC(=O)CSCCC1CCCC1 62a_100000760354_100000183381 [0,0,0,1,0,0|3,0,0]=4 4882 B14R1.609 CCNC(=O)NCCCC1CCCC1 2708a_100000736752_100015525214 [0,0,0,1,0,0|2,0,0]=3 4883 B14R1.609 CCNC(=O)NCCCC1CCCC1 2708a_100015525214_100000736752 [0,0,0,1,0,0|2,0,0]=3 4884 B14R1.609 CCNC(=O)NCCCC1CCCC1 273464a_100000736752_100015525214 [0,0,0,1,0,0|2,0,0]=3 4885 B14R1.609 CCNC(=O)NCCCC1CCCC1 273464a_100015525214_100000736752 [0,0,0,1,0,0|2,0,0]=3 4886 B14R1.609 CCNC(=O)NCCCC1CCCC1 512a_100000736752_100015525214 [0,0,0,1,0,0|2,0,0]=3 4887 B14R1.609 CCNC(=O)NCCCC1CCCC1 512a_100015525214_100000736752 [0,0,0,1,0,0|2,0,0]=3 4888 B14R1.609 CCNC(=O)NCCCN1CCCC1 2708a_100000204695_100015525214 [0,0,0,1,0,0|3,0,0]=4 4889 B14R1.609 CCNC(=O)NCCCN1CCCC1 2708a_100015525214_100000204695 [0,0,0,1,0,0|3,0,0]=4 4890 B14R1.609 CCNC(=O)NCCCN1CCCC1 273464a_100000204695_100015525214 [0,0,0,1,0,0|3,0,0]=4 4891 B14R1.609 CCNC(=O)NCCCN1CCCC1 273464a_100015525214_100000204695 [0,0,0,1,0,0|3,0,0]=4 4892 B14R1.609 CCNC(=O)NCCOC1CCCC1 2708a_100000741755_100015525214 [0,0,0,1,0,0|3,0,0]=4 4893 B14R1.609 CCNC(=O)NCCOC1CCCC1 2708a_100015525214_100000741755 [0,0,0,1,0,0|3,0,0]=4 4894 B14R1.609 CCNC(=O)NCCOC1CCCC1 273464a_100000741755_100015525214 [0,0,0,1,0,0|3,0,0]=4 4895 B14R1.609 CCNC(=O)NCCOC1CCCC1 273464a_100015525214_100000741755 [0,0,0,1,0,0|3,0,0]=4 4896 B14R1.609 CCNC(=O)NCCOC1CCCC1 512a_100000741755_100015525214 [0,0,0,1,0,0|3,0,0]=4 4897 B14R1.609 CCNC(=O)NCCOC1CCCC1 512a_100015525214_100000741755 [0,0,0,1,0,0|3,0,0]=4 4898 B14R1.609 CCOC(=O)CCCCN1CCCC1 2230a_100000188435_100000750268 [0,0,0,1,0,0|3,0,0]=4 4899 B14R1.609 CCOC(=O)CCCCN1CCCC1 269982a_100000188435_100000750268 [0,0,0,1,0,0|3,0,0]=4 4900 B14R1.609 CCOC(=O)CCCNC1CCCC1 2230a_100000211070_100009991533 [0,0,0,1,0,0|3,0,0]=4 4901 B14R1.609 CCOC(=O)CCCNC1CCCC1 34a_100000211070_100009991533 [0,0,0,1,0,0|3,0,0]=4 4902 B14R1.609 CCOC(=O)CCCOC1CCCC1 34a_100000210269_100009991533 [0,0,0,1,0,0|3,0,0]=4 4903 B14R1.609 CCOC(=O)CCCOC1CCCC1 7a_100000210269_100011215271 [0,0,0,1,0,0|3,0,0]=4 4904 B14R1.609 CCOC(=O)CCCOC1CCCC1 7a_100012001163_100000179811 [0,0,0,1,0,0|3,0,0]=4 4905 B14R1.609 CCOC(=O)CCCSC1CCCC1 62a_100009991533_100000179811 [0,0,0,1,0,0|3,0,0]=4 4906 B14R1.609 CCOC(=O)CCCSC1CCCC1 62a_100011217020_100009991533 [0,0,0,1,0,0|3,0,0]=4 4907 B14R1.609 CCOC(=O)CCNCC1CCCC1 2230a_100000737975_100011206558 [0,0,0,1,0,0|3,0,0]=4 4908 B14R1.609 CCOC(=O)CCNCC1CCCC1 34a_100000737975_100000765890 [0,0,0,1,0,0|3,0,0]=4 4909 B14R1.609 CCOC(=O)CCOCC1CCCC1 34a_100000742336_100000765890 [0,0,0,1,0,0|3,0,0]=4 4910 B14R1.609 CCOC(=O)CCOCC1CCCC1 7a_100000742336_100011206558 [0,0,0,1,0,0|3,0,0]=4 4911 B14R1.609 CCOC(=O)CCSCC1CCCC1 62a_100000740388_100000765890 [0,0,0,1,0,0|3,0,0]=4 4912 B14R1.609 CCOC(=O)CCSCC1CCCC1 62a_100000765890_100000740388 [0,0,0,1,0,0|3,0,0]=4 4913 B14R1.609 CCOC(=O)CNCCC1CCCC1 2230a_100000739158_100000188475 [0,0,0,1,0,0|3,0,0]=4 4914 B14R1.609 CCOC(=O)CNCCC1CCCC1 34a_100000739158_100000188475 [0,0,0,1,0,0|3,0,0]=4 4915 B14R1.609 CCOC(=O)COCCC1CCCC1 34a_100000749090_100000188475 [0,0,0,1,0,0|3,0,0]=4 4916 B14R1.609 CCOC(=O)COCCC1CCCC1 7a_100000749090_100000188475 [0,0,0,1,0,0|3,0,0]=4 4917 B14R1.609 CCOC(=O)CSCCC1CCCC1 62a_100000188475_100000760354 [0,0,0,1,0,0|3,0,0]=4 4918 B14R1.609 CCOC(=O)CSCCC1CCCC1 62a_100000760354_100000188475 [0,0,0,1,0,0|3,0,0]=4 4919 B14R1.609 CCOC(=O)NCCOC1CCCC1 34a_100000158857_100000179811 [0,0,0,1,0,0|3,0,0]=4 4920 B14R1.609 CCOC(=O)NCCOC1CCCC1 7a_100000210269_200011445536 [0,0,0,1,0,0|3,0,0]=4 4921 B14R1.609 CCOC(=O)NCCSC1CCCC1 62a_100011217020_200011445536 [0,0,0,1,0,0|3,0,0]=4 4922 B14R1.609 CCOC(=O)OCSCC1CCCC1 62a_100000740388_100000075025 [0,0,0,1,0,0|2,0,0]=3 4923 B14R1.609 CCOC(=O)OCSCC1CCCO1 62a_100000203698_100000075025 [0,0,0,1,0,0|3,0,0]=4 4924 B14R1.609 CCOC(=O)OCSCC1CCOC1 62a_100000702531_100000075025 [0,0,0,1,0,0|3,0,0]=4 4925 B14R1.609 CNNC(=O)NCCCC1CCCC1 273464a_100000736752_100016993582 [0,0,0,1,0,0|3,0,0]=4 4926 B14R1.609 CNNC(=O)NCCCC1CCCC1 512a_100000736752_100016993582 [0,0,0,1,0,0|3,0,0]=4 4927 B14R1.609 CNNC(=O)NCCCC1CCCC1 512a_100016993582_100000736752 [0,0,0,1,0,0|3,0,0]=4 4928 B14R1.609 COCC(=O)NCCCC1CCCC1 11a_100000736752_100000210968 [0,0,0,1,0,0|2,0,0]=3 4929 B14R1.609 COCC(=O)NCCCC1CCCC1 1626a_100000736752_100000210968 [0,0,0,1,0,0|2,0,0]=3 4930 B14R1.609 COCC(=O)NCCCC1CCCC1 240690a_100000736752_100000210968 [0,0,0,1,0,0|2,0,0]=3 4931 B14R1.609 COCC(=O)NCCCC1CCCC1 527a_100000736752_100000210968 [0,0,0,1,0,0|2,0,0]=3 4932 B14R1.609 COCC(=O)NCCCN1CCCC1 240690a_100000204695_100000210968 [0,0,0,1,0,0|3,0,0]=4 4933 B14R1.609 COCC(=O)NCCOC1CCCC1 11a_100000741755_100000210968 [0,0,0,1,0,0|3,0,0]=4 4934 B14R1.609 COCC(=O)NCCOC1CCCC1 1626a_100000741755_100000210968 [0,0,0,1,0,0|3,0,0]=4 4935 B14R1.609 COCC(=O)NCCOC1CCCC1 240690a_100000741755_100000210968 [0,0,0,1,0,0|3,0,0]=4 4936 B14R1.609 COCC(=O)NCCOC1CCCC1 527a_100000741755_100000210968 [0,0,0,1,0,0|3,0,0]=4 4937 B14R1.609 COCC(C)OCCCC1CCCC1 34a_100011215328_100000765312 [0,0,0,1,0,0|2,0,1]=4 4938 B14R1.609 COCC(C)OCCCC1CCCC1 7a_100011215328_100000765312 [0,0,0,1,0,0|2,0,1]=4 4939 B14R1.609 COC[C@@H](C)OCCCC1CCCC1 34a_100011934205_100011713738 [0,0,0,1,0,0|2,0,1]=4 4940 B14R1.609 CSCC(=O)NCCCC1CCCC1 11a_100000736752_100000184570 [0,0,0,1,0,0|2,0,0]=3 4941 B14R1.609 CSCC(=O)NCCCC1CCCC1 1626a_100000736752_100000184570 [0,0,0,1,0,0|2,0,0]=3 4942 B14R1.609 CSCC(=O)NCCCC1CCCC1 240690a_100000736752_100000184570 [0,0,0,1,0,0|2,0,0]=3 4943 B14R1.609 CSCC(=O)NCCCC1CCCC1 527a_100000736752_100000184570 [0,0,0,1,0,0|2,0,0]=3 4944 B14R1.609 CSCC(=O)NCCCN1CCCC1 240690a_100000204695_100000184570 [0,0,0,1,0,0|3,0,0]=4 4945 B14R1.609 CSCC(=O)NCCOC1CCCC1 11a_100000741755_100000184570 [0,0,0,1,0,0|3,0,0]=4 4946 B14R1.609 CSCC(=O)NCCOC1CCCC1 1626a_100000741755_100000184570 [0,0,0,1,0,0|3,0,0]=4 4947 B14R1.609 CSCC(=O)NCCOC1CCCC1 240690a_100000741755_100000184570 [0,0,0,1,0,0|3,0,0]=4 4948 B14R1.609 CSCC(=O)NCCOC1CCCC1 527a_100000741755_100000184570 [0,0,0,1,0,0|3,0,0]=4 4949 B14R1.609 N#CCC(=O)NCCCC1CCCC1 1626a_100000736752_100051588842 [0,0,0,1,0,0|2,0,1]=4 4950 B14R1.609 N#CCC(=O)NCCCC1CCCC1 240690a_100000736752_100051588842 [0,0,0,1,0,0|2,0,1]=4 4951 B14R1.609 O=C(CCO)NCCCC1CCCC1 240690a_100000736752_100011216618 [0,0,0,1,0,0|2,0,0]=3 4952 B14R1.609 O=C(CCO)NCCCN1CCCC1 240690a_100000204695_100011216618 [0,0,0,1,0,0|3,0,0]=4 4953 B14R1.609 O=C(CCO)NCCOC1CCCC1 240690a_100000741755_100011216618 [0,0,0,1,0,0|3,0,0]=4 4954 B14R1.611 CCOC(=O)CCCOCC1CC1C 34a_100000744939_100009991533 [0,0,0,1,0,0|3,0,0]=4 4955 B14R1.611 CCOC(=O)CCCOCC1CC1C 7a_100000744939_100011215271 [0,0,0,1,0,0|3,0,0]=4 4956 B14R1.611 CCOC(=O)NCCOCC1CC1C 7a_100000744939_200011445536 [0,0,0,1,0,0|3,0,0]=4 4957 B14R1.612 CCCC(=O)OCOCCC1COC1 34a_100009855314_100000034017 [0,0,0,1,0,0|2,0,0]=3 4958 B14R1.612 CCOC(=O)CCCCCN1CCC1 269982a_100000754969_100000755133 [0,0,0,1,0,0|3,0,0]=4 4959 B14R1.612 CCOC(=O)CCCCNC1CCC1 2230a_100000749019_100000750268 [0,0,0,1,0,0|3,0,0]=4 4960 B14R1.612 CCOC(=O)CCCCNC1CCC1 34a_100000749019_100000750268 [0,0,0,1,0,0|3,0,0]=4 4961 B14R1.612 CCOC(=O)CCCCOC1CCC1 34a_100000748187_100000750268 [0,0,0,1,0,0|3,0,0]=4 4962 B14R1.612 CCOC(=O)CCCCSC1CCC1 62a_100000750268_100000749161 [0,0,0,1,0,0|3,0,0]=4 4963 B14R1.612 CCOC(=O)CCCNCC1CCC1 2230a_100000738700_100009991533 [0,0,0,1,0,0|3,0,0]=4 4964 B14R1.612 CCOC(=O)CCCNCC1CCC1 34a_100000738700_100009991533 [0,0,0,1,0,0|3,0,0]=4 4965 B14R1.612 CCOC(=O)CCCOCC1CCC1 34a_100000760304_100009991533 [0,0,0,1,0,0|3,0,0]=4 4966 B14R1.612 CCOC(=O)CCCOCC1CCC1 7a_100012001163_100000763275 [0,0,0,1,0,0|3,0,0]=4 4967 B14R1.612 CCOC(=O)CCCSCC1CCC1 62a_100000763275_100009991533 [0,0,0,1,0,0|3,0,0]=4 4968 B14R1.612 CCOC(=O)CCCSCC1CCC1 62a_100009991533_100000763275 [0,0,0,1,0,0|3,0,0]=4 4969 B14R1.612 CCOC(=O)NCCOCC1CCC1 34a_100000158857_100000763275 [0,0,0,1,0,0|3,0,0]=4 4970 B14R1.612 CCOC(=O)NCCSCC1CCC1 62a_100000763275_200011445536 [0,0,0,1,0,0|3,0,0]=4 4971 B14R1.635 CCCCC1C=CCN1C(=O)CCC 11a_100015184376_100000211992 [0,0,0,1,0,0|1,0,2]=4 4972 B14R1.635 CCCCC1C=CCN1C(=O)CCC 1626a_100015184376_100000211992 [0,0,0,1,0,0|1,0,2]=4 4973 B14R1.635 CCCCC1C=CCN1C(=O)CCC 240690a_100015184376_100000211992 [0,0,0,1,0,0|1,0,2]=4 4974 B14R1.635 CCCCC1C=CCN1C(=O)CCC 527a_100015184376_100000211992 [0,0,0,1,0,0|1,0,2]=4 4975 B14R1.635 CCCCC1CCCC1N(C)CCC 270004a_100000747261_100000750825 [0,0,0,1,0,0|3,0,0]=4 4976 B14R1.635 CCCCN1CCC[C@H]1C(=O)NCC 2230a_100020641767_100000210211 [0,0,0,1,0,0|3,0,0]=4 4977 B14R1.635 CCCCN1CCC[C@H]1C(=O)NCC 269982a_100020641767_100000210211 [0,0,0,1,0,0|3,0,0]=4 4978 B14R1.635 CCCCN1CCC[C@H]1C(=O)NCC 34a_100020641767_100000210210 [0,0,0,1,0,0|3,0,0]=4 4979 B14R1.635 CCCCN1CCC[C@H]1C(=O)OCC 2230a_100000703725_100000210211 [0,0,0,1,0,0|3,0,0]=4 4980 B14R1.635 CCCCN1CCC[C@H]1C(=O)OCC 269982a_100000703725_100000210211 [0,0,0,1,0,0|3,0,0]=4 4981 B14R1.635 CCCO[C@H]1CCC[C@H]1C(=O)OCC 7a_200015395474_100000210303 [0,0,0,1,0,0|3,0,0]=4 4982 B14R1.767 CCCCCCCCCN1CC(C1)C 2230a_100000702820_100011214924 [0,0,0,1,0,0|3,0,0]=4 4983 B14R1.767 CCCCCCCCCN1CC(C1)C 269982a_100000702820_100000210670 [0,0,0,1,0,0|3,0,0]=4 4984 B14R1.767 CCCCCCCCCN1CC(C1)C 34a_100000702820_100011214924 [0,0,0,1,0,0|3,0,0]=4 4985 B14R1.947 CCCC(=O)NCC1CCCN1CC 11a_100000211693_100000211992 [0,0,0,1,0,0|2,0,0]=3 4986 B14R1.947 CCCC(=O)NCC1CCCN1CC 1626a_100000211693_100000211992 [0,0,0,1,0,0|2,0,0]=3 4987 B14R1.947 CCCC(=O)NCC1CCCN1CC 240690a_100000211693_100000211992 [0,0,0,1,0,0|2,0,0]=3 4988 B14R1.947 CCCC(=O)NCC1CCCN1CC 527a_100000211693_100000211992 [0,0,0,1,0,0|2,0,0]=3 4989 B14R1.947 CCCC(=O)NN=C1CCCC1CC 4a_100000189770_100000749056 [0,0,0,1,0,0|2,0,1]=4 4990 B14R1.947 CCCC(=O)OCN1CC=CC1CC 2230a_100000730860_100000034017 [0,0,0,1,0,0|1,0,2]=4 4991 B14R1.947 CCCC(=O)OCN1CC=CC1CC 269982a_100000730860_100000034017 [0,0,0,1,0,0|1,0,2]=4 4992 B14R1.947 CCCC(=O)OCN1CC=CC1CC 34a_100000730860_100000034017 [0,0,0,1,0,0|1,0,2]=4 4993 B14R1.947 CCCC(=O)OCN1CCCC1C#N 2230a_100000701862_100000034017 [0,0,0,1,0,0|2,0,1]=4 4994 B14R1.947 CCCC(=O)OCN1CCCC1CC 2230a_100000754278_100000034017 [0,0,0,1,0,0|1,0,0]=2 4995 B14R1.947 CCCC(=O)OCN1CCCC1CC 269982a_100000754278_100000034017 [0,0,0,1,0,0|1,0,0]=2 4996 B14R1.947 CCCC(=O)OCN1CCCC1CC 34a_100000754278_100000034017 [0,0,0,1,0,0|1,0,0]=2 4997 B14R1.947 CCCC(=O)OCN1CCC[C@@H]1C#N 2230a_106645074975_100000034017 [0,0,0,1,0,0|2,0,1]=4 4998 B14R1.947 CCCC(=O)OCN1CCC[C@@H]1C#N 269982a_106645074975_100000034017 [0,0,0,1,0,0|2,0,1]=4 4999 B14R1.947 CCCC(=O)OCN1CCC[C@@H]1CO 2230a_100000745186_100000034017 [0,0,0,1,0,0|2,0,0]=3 5000 B14R1.947 CCCC(=O)OCN1CCC[C@@H]1CO 269982a_100000745186_100000034017 [0,0,0,1,0,0|2,0,0]=3 5001 B14R1.947 CCCC(=O)OCN1CCC[C@@H]1CO 34a_100000745186_100000034017 [0,0,0,1,0,0|2,0,0]=3 5002 B14R1.947 CCCC(C)OC[C@H]1CCCN1CC 34a_100011739246_100000766640 [0,0,0,1,0,0|2,0,1]=4 5003 B14R1.947 CCCC(C)OC[C@H]1CCCN1CC 7a_100011739246_100000766640 [0,0,0,1,0,0|2,0,1]=4 5004 B14R1.947 CCN1CCCC1CNC(=O)CCO 240690a_100000211693_100011216618 [0,0,0,1,0,0|3,0,0]=4 5005 B14R1.947 CCN1CCCC1CNC(=O)COC 11a_100000211693_100000210968 [0,0,0,1,0,0|3,0,0]=4 5006 B14R1.947 CCN1CCCC1CNC(=O)COC 1626a_100000211693_100000210968 [0,0,0,1,0,0|3,0,0]=4 5007 B14R1.947 CCN1CCCC1CNC(=O)COC 240690a_100000211693_100000210968 [0,0,0,1,0,0|3,0,0]=4 5008 B14R1.947 CCN1CCCC1CNC(=O)COC 527a_100000211693_100000210968 [0,0,0,1,0,0|3,0,0]=4 5009 B14R1.947 CCN1CCCC1CNC(=O)CSC 11a_100000211693_100000184570 [0,0,0,1,0,0|3,0,0]=4 5010 B14R1.947 CCN1CCCC1CNC(=O)CSC 1626a_100000211693_100000184570 [0,0,0,1,0,0|3,0,0]=4 5011 B14R1.947 CCN1CCCC1CNC(=O)CSC 240690a_100000211693_100000184570 [0,0,0,1,0,0|3,0,0]=4 5012 B14R1.947 CCN1CCCC1CNC(=O)CSC 527a_100000211693_100000184570 [0,0,0,1,0,0|3,0,0]=4 5013 B14R1.947 CCNC(=O)CCN1CCCC1CC 2230a_100000754278_100000737597 [0,0,0,1,0,0|3,0,0]=4 5014 B14R1.947 CCNC(=O)CCN1CCCC1CC 269982a_100000754278_100000737597 [0,0,0,1,0,0|3,0,0]=4 5015 B14R1.947 CCNC(=O)CNC1CCCC1CC 270004a_100016988866_100000749056 [0,0,0,1,0,0|3,0,0]=4 5016 B14R1.947 CCNC(=O)NCC1CCCN1CC 2708a_100015525214_100000211693 [0,0,0,1,0,0|3,0,0]=4 5017 B14R1.947 CCNC(=O)NCC1CCCN1CC 273464a_100000211693_100015525214 [0,0,0,1,0,0|3,0,0]=4 5018 B14R1.947 CCNC(=O)NCC1CCCN1CC 273464a_100015525214_100000211693 [0,0,0,1,0,0|3,0,0]=4 5019 B14R1.947 CCNC(=O)NCC1CCCN1CC 512a_100000211693_100015525214 [0,0,0,1,0,0|3,0,0]=4 5020 B14R1.947 CCNC(=O)NCC1CCCN1CC 512a_100015525214_100000211693 [0,0,0,1,0,0|3,0,0]=4 5021 B14R1.947 CCOC(=O)CCN1CCCC1CC 2230a_100000754278_100011206558 [0,0,0,1,0,0|3,0,0]=4 5022 B14R1.947 CCOC(=O)CCN1CCCC1CC 269982a_100000754278_100011206558 [0,0,0,1,0,0|3,0,0]=4 5023 B14R1.947 CCOC(=O)CCN1CCCC1CC 34a_100000754278_100000765890 [0,0,0,1,0,0|3,0,0]=4 5024 B14R1.948 CCCC(=O)NCCC1CCCN1C 240690a_100011219722_100000211992 [0,0,0,1,0,0|2,0,0]=3 5025 B14R1.948 CCCC(=O)NCCC1CCCN1C 527a_100011219722_100000211992 [0,0,0,1,0,0|2,0,0]=3 5026 B14R1.948 CCCC(=O)OCN[C@H]1COC[C@@H]1O 2230a_100015191717_100000034017 [0,0,0,1,0,0|3,0,0]=4 5027 B14R1.948 CCCC(=O)OCOC1CCCC1=O 34a_200000719330_100000034017 [0,0,0,1,0,0|2,0,1]=4 5028 B14R1.948 CCCC(=O)OCOC1CCCC1C 34a_100011216460_100000034017 [0,0,0,1,0,0|1,0,0]=2 5029 B14R1.948 CCCC(=O)OCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000034017 [0,0,0,1,0,0|2,0,0]=3 5030 B14R1.948 CCCC(=O)OCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000034017 [0,0,0,1,0,0|2,0,0]=3 5031 B14R1.948 CCCC(=O)OCO[C@H]1CNC[C@H]1C 34a_200015306588_100000034017 [0,0,0,1,0,0|2,0,0]=3 5032 B14R1.948 CCCC(=O)OCO[C@H]1COC[C@@H]1N 34a_100015191717_100000034017 [0,0,0,1,0,0|3,0,0]=4 5033 B14R1.948 CCCC(=O)OCSC1CCCC1=O 62a_100000211823_100000034017 [0,0,0,1,0,0|2,0,1]=4 5034 B14R1.948 CCCC(=O)OCSC1COCC1O 62a_200000725654_100000034017 [0,0,0,1,0,0|3,0,0]=4 5035 B14R1.948 CCCC(=O)OCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000034017 [0,0,0,1,0,0|2,0,0]=3 5036 B14R1.948 CCCC(C)OCCC1CCCN1C 34a_100000764384_100000005710 [0,0,0,1,0,0|2,0,1]=4 5037 B14R1.948 CCCC(C)OCCC1CCCN1C 34a_100011215177_100000766640 [0,0,0,1,0,0|2,0,1]=4 5038 B14R1.948 CCCC(C)OCCC1CCCN1C 7a_100000764384_100000005710 [0,0,0,1,0,0|2,0,1]=4 5039 B14R1.948 CCCC(C)OCCC1CCCN1C 7a_100011215177_100000766640 [0,0,0,1,0,0|2,0,1]=4 5040 B14R1.948 CCNC(=O)CCNC1CCCC1C 269862a_100025743525_100000752053 [0,0,0,1,0,0|3,0,0]=4 5041 B14R1.948 CCNC(=O)CCOC1CCCC1C 7a_100011216460_100000737597 [0,0,0,1,0,0|3,0,0]=4 5042 B14R1.948 CCNC(=O)NCCC1CCCN1C 2708a_100011219722_100015525214 [0,0,0,1,0,0|3,0,0]=4 5043 B14R1.948 CCNC(=O)NCCC1CCCN1C 2708a_100015525214_100011219722 [0,0,0,1,0,0|3,0,0]=4 5044 B14R1.948 CCNC(=O)NCCC1CCCN1C 273464a_100011219722_100015525214 [0,0,0,1,0,0|3,0,0]=4 5045 B14R1.948 CCNC(=O)NCCC1CCCN1C 273464a_100015525214_100011219722 [0,0,0,1,0,0|3,0,0]=4 5046 B14R1.948 CCNC(=O)NCCC1CCCN1C 512a_100011219722_100015525214 [0,0,0,1,0,0|3,0,0]=4 5047 B14R1.948 CCNC(=O)NCCC1CCCN1C 512a_100015525214_100011219722 [0,0,0,1,0,0|3,0,0]=4 5048 B14R1.948 CCOC(=O)CCCN1CCC[C@@H]1C 2230a_100020605311_100009991533 [0,0,0,1,0,0|3,0,0]=4 5049 B14R1.948 CCOC(=O)CCCN1CCC[C@@H]1C 269982a_100020605311_100009991533 [0,0,0,1,0,0|3,0,0]=4 5050 B14R1.948 CCOC(=O)CCCN1CCC[C@H]1C 2230a_100015189458_100009991533 [0,0,0,1,0,0|3,0,0]=4 5051 B14R1.948 CCOC(=O)CCCN1CCC[C@H]1C 269982a_100015189458_100009991533 [0,0,0,1,0,0|3,0,0]=4 5052 B14R1.948 CCOC(=O)CCCN1CCC[C@H]1C 34a_100015189458_100009991533 [0,0,0,1,0,0|3,0,0]=4 5053 B14R1.948 CCOC(=O)CCOC1CCCC1C 34a_100011216460_100000765890 [0,0,0,1,0,0|3,0,0]=4 5054 B14R1.948 CCOC(=O)CCOC1CCCC1C 7a_100011216460_100011206558 [0,0,0,1,0,0|3,0,0]=4 5055 B14R1.948 CCOC(=O)NCCN1CCC[C@@H]1C 269982a_100020605311_200011445536 [0,0,0,1,0,0|3,0,0]=4 5056 B14R1.948 CCOC(=O)NCCN1CCC[C@H]1C 269982a_100015189458_200011445536 [0,0,0,1,0,0|3,0,0]=4 5057 B14R1.948 CCOC(=O)OCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000075025 [0,0,0,1,0,0|3,0,0]=4 5058 B14R1.948 CN1CCCC1CCNC(=O)CCO 240690a_100011219722_100011216618 [0,0,0,1,0,0|3,0,0]=4 5059 B14R1.948 COCC(=O)NCCC1CCCN1C 240690a_100011219722_100000210968 [0,0,0,1,0,0|3,0,0]=4 5060 B14R1.948 COCC(=O)NCCC1CCCN1C 527a_100011219722_100000210968 [0,0,0,1,0,0|3,0,0]=4 5061 B14R1.948 CSCC(=O)NCCC1CCCN1C 240690a_100011219722_100000184570 [0,0,0,1,0,0|3,0,0]=4 5062 B14R1.948 CSCC(=O)NCCC1CCCN1C 527a_100011219722_100000184570 [0,0,0,1,0,0|3,0,0]=4 5063 B14R1.955 CCCC(=O)OCOCC#CC1CC1 34a_100000083941_100000034017 [0,0,0,1,0,0|1,0,2]=4 5064 B14R1.955 CCCC(=O)OCOCCNC1CC1 34a_100000738766_100000034017 [0,0,0,1,0,0|2,0,0]=3 5065 B14R1.955 CCCC(=O)OCSCC#CC1CC1 62a_100009895102_100000034017 [0,0,0,1,0,0|1,0,2]=4 5066 B14R1.955 CCCC(=O)OCSCCCC1CO1 62a_100000733510_100000034017 [0,0,0,1,0,0|2,0,0]=3 5067 B14R1.955 CCOC(=O)CCCCCNC1CC1 34a_100000212008_100000755133 [0,0,0,1,0,0|3,0,0]=4 5068 B14R1.955 CCOC(=O)CCCCCSC1CC1 62a_100000755133_100000211595 [0,0,0,1,0,0|3,0,0]=4 5069 B14R1.955 CCOC(=O)CCCCNCC1CC1 2230a_100000735609_100000750268 [0,0,0,1,0,0|3,0,0]=4 5070 B14R1.955 CCOC(=O)CCCCNCC1CC1 34a_100000735609_100000750268 [0,0,0,1,0,0|3,0,0]=4 5071 B14R1.955 CCOC(=O)CCCCOCC1CC1 34a_100000211283_100000750268 [0,0,0,1,0,0|3,0,0]=4 5072 B14R1.955 CCOC(=O)CCCCSCC1CC1 62a_100000750268_100000742324 [0,0,0,1,0,0|3,0,0]=4 5073 B14R1.955 CCOC(=O)CCCCSCC1CC1 62a_100000756562_100000750268 [0,0,0,1,0,0|3,0,0]=4 5074 B14R1.955 CCOC(=O)CCCNCCC1CC1 34a_100000764129_100009991533 [0,0,0,1,0,0|3,0,0]=4 5075 B14R1.955 CCOC(=O)CCCOCCC1CC1 34a_100000754188_100009991533 [0,0,0,1,0,0|3,0,0]=4 5076 B14R1.955 CCOC(=O)CCCOCCC1CC1 7a_100000754188_100011215271 [0,0,0,1,0,0|3,0,0]=4 5077 B14R1.955 CCOC(=O)CCCOCCC1CC1 7a_100012001163_100000764125 [0,0,0,1,0,0|3,0,0]=4 5078 B14R1.955 CCOC(=O)CCCSCCC1CC1 62a_100000764125_100009991533 [0,0,0,1,0,0|3,0,0]=4 5079 B14R1.955 CCOC(=O)CCCSCCC1CC1 62a_100009991533_100000764125 [0,0,0,1,0,0|3,0,0]=4 5080 B14R1.955 CCOC(=O)NCCOCCC1CC1 34a_100000158857_100000694398 [0,0,0,1,0,0|3,0,0]=4 5081 B14R1.955 CCOC(=O)NCCOCCC1CC1 7a_100000754188_200011445536 [0,0,0,1,0,0|3,0,0]=4 5082 B14R1.955 CCOC(=O)NCCSCCC1CC1 62a_100000764125_200011445536 [0,0,0,1,0,0|3,0,0]=4 5083 B14R1.955 CCOC(=O)OCSCCCC1CO1 62a_100000733510_100000075025 [0,0,0,1,0,0|3,0,0]=4 5084 B14R1.963 CCOC(=O)CCCCN1CCC1C 269982a_100000755817_100000750268 [0,0,0,1,0,0|3,0,0]=4 5085 B14R1.963 CCOC(=O)CCCCN1CCC1C 34a_100000755817_100000750268 [0,0,0,1,0,0|3,0,0]=4 5086 B14R1.965 CCC1CCCCC1OC(C)CCO 34a_100000210738_100009893172 [0,0,0,1,0,0|2,0,1]=4 5087 B14R1.965 CCC1CCCCC1OC(C)CCO 7a_100000210738_100009893172 [0,0,0,1,0,0|2,0,1]=4 5088 B14R1.965 CCC1CCCCC1OC(C)COC 34a_100000210738_100000765312 [0,0,0,1,0,0|2,0,1]=4 5089 B14R1.965 CCC1CCCCC1OC(C)COC 7a_100000210738_100000765312 [0,0,0,1,0,0|2,0,1]=4 5090 B14R1.965 CCCC(=O)CN1CCCCC1CC 2230a_100000210034_100000747444 [0,0,0,1,0,0|2,0,0]=3 5091 B14R1.965 CCCC(=O)CN1CCCCC1CC 269982a_100000210034_100000747444 [0,0,0,1,0,0|2,0,0]=3 5092 B14R1.965 CCCC(=O)CN1CCCCC1CO 2230a_100000210821_100000747444 [0,0,0,1,0,0|3,0,0]=4 5093 B14R1.965 CCCC(=O)CN1CCCCC1CO 269982a_100000210821_100000747444 [0,0,0,1,0,0|3,0,0]=4 5094 B14R1.965 CCCC(=O)CN1CCOC[C@@H]1CC 2230a_100016988097_100000747444 [0,0,0,1,0,0|3,0,0]=4 5095 B14R1.965 CCCC(=O)CN1CCOC[C@@H]1CC 269982a_100016988097_100000747444 [0,0,0,1,0,0|3,0,0]=4 5096 B14R1.965 CCCC(=O)NC1CCCCC1OC 11a_100011208099_100000211992 [0,0,0,1,0,0|2,0,0]=3 5097 B14R1.965 CCCC(=O)NC1CCCCC1OC 1626a_100011208099_100000211992 [0,0,0,1,0,0|2,0,0]=3 5098 B14R1.965 CCCC(=O)NC1CCCCC1OC 240690a_100011208099_100000211992 [0,0,0,1,0,0|2,0,0]=3 5099 B14R1.965 CCCC(=O)NC1CCCCC1OC 527a_100011208099_100000211992 [0,0,0,1,0,0|2,0,0]=3 5100 B14R1.965 CCCC(=O)NC1CCOCC1CO 240690a_214813039666_100000211992 [0,0,0,1,0,0|3,0,0]=4 5101 B14R1.965 CCCC(C)NC1CCCCC1CC 269862a_100000741246_100000757040 [0,0,0,1,0,0|2,0,1]=4 5102 B14R1.965 CCCC(C)NC1CCCCC1CC 270004a_100000741246_100000757040 [0,0,0,1,0,0|2,0,1]=4 5103 B14R1.965 CCCC(C)OC1CCCCC1CC 34a_100000210738_100000766640 [0,0,0,1,0,0|1,0,1]=3 5104 B14R1.965 CCCC(C)OC1CCCCC1CC 7a_100000210738_100000766640 [0,0,0,1,0,0|1,0,1]=3 5105 B14R1.965 CCCC(C)OC1CCCCC1CN 34a_100011216029_100000766640 [0,0,0,1,0,0|2,0,1]=4 5106 B14R1.965 CCCC(C)O[C@@H]1CCCC[C@H]1NC 34a_100000708425_100000766640 [0,0,0,1,0,0|2,0,1]=4 5107 B14R1.965 CCCC(C)O[C@H]1CCCC[C@@H]1OC 34a_200009815850_100000766640 [0,0,0,1,0,0|2,0,1]=4 5108 B14R1.965 CCCC(C)O[C@H]1CCCC[C@@H]1OC 7a_200009815850_100000766640 [0,0,0,1,0,0|2,0,1]=4 5109 B14R1.965 CCNC(=O)CN1CCCCC1CC 2230a_100000210034_100000183381 [0,0,0,1,0,0|3,0,0]=4 5110 B14R1.965 CCNC(=O)CN1CCCCC1CC 269982a_100000210034_100000183381 [0,0,0,1,0,0|3,0,0]=4 5111 B14R1.965 CCNC(=O)CN1CCCCC1CC 34a_100000210034_100000183381 [0,0,0,1,0,0|3,0,0]=4 5112 B14R1.965 CCNC(=O)NC1CCCCC1OC 2708a_100011208099_100015525214 [0,0,0,1,0,0|3,0,0]=4 5113 B14R1.965 CCNC(=O)NC1CCCCC1OC 2708a_100015525214_100011208099 [0,0,0,1,0,0|3,0,0]=4 5114 B14R1.965 CCNC(=O)NC1CCCCC1OC 273464a_100011208099_100015525214 [0,0,0,1,0,0|3,0,0]=4 5115 B14R1.965 CCNC(=O)NC1CCCCC1OC 273464a_100015525214_100011208099 [0,0,0,1,0,0|3,0,0]=4 5116 B14R1.965 CCNC(=O)NC1CCCCC1OC 512a_100011208099_100015525214 [0,0,0,1,0,0|3,0,0]=4 5117 B14R1.965 CCNC(=O)NC1CCCCC1OC 512a_100015525214_100011208099 [0,0,0,1,0,0|3,0,0]=4 5118 B14R1.965 CCOC(=O)CC1CCCCN1CC 2230a_100116209990_100000210202 [0,0,0,1,0,0|3,0,0]=4 5119 B14R1.965 CCOC(=O)CC1CCCCN1CC 269982a_100116209990_100000204670 [0,0,0,1,0,0|3,0,0]=4 5120 B14R1.965 CCOC(=O)CN1CCCCC1CC 2230a_100000210034_100000188475 [0,0,0,1,0,0|3,0,0]=4 5121 B14R1.965 CCOC(=O)CN1CCCCC1CC 269982a_100000210034_100000188475 [0,0,0,1,0,0|3,0,0]=4 5122 B14R1.965 CCOC(=O)CN1CCCCC1CC 34a_100000210034_100000188475 [0,0,0,1,0,0|3,0,0]=4 5123 B14R1.965 COC1CCCCC1NC(=O)CCO 240690a_100011208099_100011216618 [0,0,0,1,0,0|3,0,0]=4 5124 B14R1.965 COC1CCCCC1NC(=O)CSC 11a_100011208099_100000184570 [0,0,0,1,0,0|3,0,0]=4 5125 B14R1.965 COC1CCCCC1NC(=O)CSC 1626a_100011208099_100000184570 [0,0,0,1,0,0|3,0,0]=4 5126 B14R1.965 COC1CCCCC1NC(=O)CSC 240690a_100011208099_100000184570 [0,0,0,1,0,0|3,0,0]=4 5127 B14R1.965 COC1CCCCC1NC(=O)CSC 527a_100011208099_100000184570 [0,0,0,1,0,0|3,0,0]=4 5128 B14R1.965 COCC(=O)NC1CCCCC1OC 11a_100011208099_100000210968 [0,0,0,1,0,0|3,0,0]=4 5129 B14R1.965 COCC(=O)NC1CCCCC1OC 1626a_100011208099_100000210968 [0,0,0,1,0,0|3,0,0]=4 5130 B14R1.965 COCC(=O)NC1CCCCC1OC 240690a_100011208099_100000210968 [0,0,0,1,0,0|3,0,0]=4 5131 B14R1.965 COCC(=O)NC1CCCCC1OC 527a_100011208099_100000210968 [0,0,0,1,0,0|3,0,0]=4 5132 B14R1.1253 CCCCCCN1CCNC(=O)CC1 2230a_100000698595_100000210314 [0,0,0,1,0,0|3,0,0]=4 5133 B14R1.1253 CCCCCCN1CCNC(=O)CC1 269982a_100000698595_100000210757 [0,0,0,1,0,0|3,0,0]=4 5134 B14R1.3619 CCC1C(=O)NCCN1CCCCF 2230a_100000187962_100000729493 [0,0,0,1,0,0|3,0,0]=4 5135 B14R1.3619 CCC1C(=O)NCCN1CCCCF 269982a_100000187962_100000729493 [0,0,0,1,0,0|3,0,0]=4 5136 B14R1.3619 CCC1C(=O)NCCN1CCCCF 34a_100000187962_100000729493 [0,0,0,1,0,0|3,0,0]=4 5137 B14R1.3619 CCC1C(=O)NCCN1CCCCO 2230a_100000187962_100000210776 [0,0,0,1,0,0|3,0,0]=4 5138 B14R1.3619 CCC1C(=O)NCCN1CCCCO 269982a_100000187962_100000210776 [0,0,0,1,0,0|3,0,0]=4 5139 B14R1.3619 CCC1C(=O)NCCN1CCCCO 34a_100000187962_100011216708 [0,0,0,1,0,0|3,0,0]=4 5140 B14R1.3619 CCC1C(=O)NCCN1CCCOC 2230a_100000187962_100000740836 [0,0,0,1,0,0|3,0,0]=4 5141 B14R1.3619 CCC1C(=O)NCCN1CCCOC 269982a_100000187962_100000740836 [0,0,0,1,0,0|3,0,0]=4 5142 B14R1.3619 CCC1C(=O)NCCN1CCCOC 34a_100000187962_100000740836 [0,0,0,1,0,0|3,0,0]=4 5143 B14R1.3619 CCCCCN1CCNC(=O)C1CC 2230a_100000187962_100000210326 [0,0,0,1,0,0|2,0,0]=3 5144 B14R1.3619 CCCCCN1CCNC(=O)C1CC 269982a_100000187962_100000210215 [0,0,0,1,0,0|2,0,0]=3 5145 B14R1.3619 CCCCCN1CCNC(=O)C1CC 34a_100000187962_100000718602 [0,0,0,1,0,0|2,0,0]=3 5146 B14R1.3619 CCOCCN1CCNC(=O)C1CC 2230a_100000187962_100011215890 [0,0,0,1,0,0|3,0,0]=4 5147 B14R1.3619 CCOCCN1CCNC(=O)C1CC 269982a_100000187962_100011215890 [0,0,0,1,0,0|3,0,0]=4 5148 B14R1.3619 CCOCCN1CCNC(=O)C1CC 34a_100000187962_100000210147 [0,0,0,1,0,0|3,0,0]=4 5149 B14R1.3619 CCSCCN1CCNC(=O)C1CC 2230a_100000187962_100000757381 [0,0,0,1,0,0|3,0,0]=4 5150 B14R1.3619 CCSCCN1CCNC(=O)C1CC 269982a_100000187962_100000757381 [0,0,0,1,0,0|3,0,0]=4 5151 B14R1.3619 CCSCCN1CCNC(=O)C1CC 34a_100000187962_100000757381 [0,0,0,1,0,0|3,0,0]=4 5152 B14R1.6816 C#CCCCCCCCC(=O)C1CC1 1458a_100000210395_100153394163 [0,0,0,1,0,0|1,0,2]=4 5153 B14R1.6816 C#CCCCCNCOC(=O)C1CC1 2230a_100000706060_100000140896 [0,0,0,1,0,0|1,0,2]=4 5154 B14R1.6816 C#CCCCCNCOC(=O)C1CC1 34a_100000706060_100000140896 [0,0,0,1,0,0|1,0,2]=4 5155 B14R1.6816 C#CCCCCOCOC(=O)C1CC1 34a_100000766709_100000140896 [0,0,0,1,0,0|1,0,2]=4 5156 B14R1.6816 C#CCCCCSCOC(=O)C1CC1 62a_100000140896_100010269958 [0,0,0,1,0,0|1,0,2]=4 5157 B14R1.6816 C#CCCCCSCOC(=O)C1CC1 62a_100010269958_100000140896 [0,0,0,1,0,0|1,0,2]=4 5158 B14R1.6816 C=CCCCCCCCC(=O)C1CC1 1458a_100000210395_100012355270 [0,0,0,1,0,0|1,0,2]=4 5159 B14R1.6816 C=CCCCCNCOC(=O)C1CC1 2230a_100000703577_100000140896 [0,0,0,1,0,0|1,0,2]=4 5160 B14R1.6816 C=CCCCCNCOC(=O)C1CC1 34a_100000703577_100000140896 [0,0,0,1,0,0|1,0,2]=4 5161 B14R1.6816 C=CCCCCOCOC(=O)C1CC1 34a_100000766645_100000140896 [0,0,0,1,0,0|1,0,2]=4 5162 B14R1.6816 C=CCCCCSCOC(=O)C1CC1 62a_100000140896_100011215482 [0,0,0,1,0,0|1,0,2]=4 5163 B14R1.6816 C=CCCCCSCOC(=O)C1CC1 62a_100011215482_100000140896 [0,0,0,1,0,0|1,0,2]=4 5164 B14R1.6816 CC(OCCCCCCCO)C1CC1 34a_100000744524_100000760002 [0,0,0,1,0,0|2,0,1]=4 5165 B14R1.6816 CC(OCCCCCCCO)C1CC1 7a_100000744524_100000760002 [0,0,0,1,0,0|2,0,1]=4 5166 B14R1.6816 CC/C=C\CCOCOC(=O)C1CC1 34a_100016288707_100000140896 [0,0,0,1,0,0|1,0,2]=4 5167 B14R1.6816 CC/C=C\CCSCOC(=O)C1CC1 62a_100000140896_100015370543 [0,0,0,1,0,0|1,0,2]=4 5168 B14R1.6816 CC/C=C\CCSCOC(=O)C1CC1 62a_100015370543_100000140896 [0,0,0,1,0,0|1,0,2]=4 5169 B14R1.6816 CC=CCCCOCOC(=O)C1CC1 34a_100020645299_100000140896 [0,0,0,1,0,0|1,0,2]=4 5170 B14R1.6816 CCC#CCCOCOC(=O)C1CC1 34a_100000036655_100000140896 [0,0,0,1,0,0|1,0,2]=4 5171 B14R1.6816 CCC/C=C/COCOC(=O)C1CC1 34a_100016278788_100000140896 [0,0,0,1,0,0|1,0,2]=4 5172 B14R1.6816 CCCC#CCOCOC(=O)C1CC1 34a_100000034806_100000140896 [0,0,0,1,0,0|1,0,2]=4 5173 B14R1.6816 CCCCC#CCCCC(=O)C1CC1 1458a_100000210395_200000047210 [0,0,0,1,0,0|1,0,2]=4 5174 B14R1.6816 CCCCCCC=NNC(=O)C1CC1 4a_100000183419_100000234349 [0,0,0,1,0,0|2,0,1]=4 5175 B14R1.6816 CCCCCCCCCC(=O)C1CC1 1458a_100000210395_100000210670 [0,0,0,1,0,0|1,0,0]=2 5176 B14R1.6816 CCCCCCCCCC(=O)C1CO1 1458a_100000701028_100000210670 [0,0,0,1,0,0|2,0,0]=3 5177 B14R1.6816 CCCCCCCCCN(C)C1CC1 2230a_100000226674_100011214924 [0,0,0,1,0,0|3,0,0]=4 5178 B14R1.6816 CCCCCCCCCN(C)C1CC1 269982a_100000226674_100000210670 [0,0,0,1,0,0|3,0,0]=4 5179 B14R1.6816 CCCCCCCCCN(C)C1CC1 269982a_100000232482_100000211595 [0,0,0,1,0,0|3,0,0]=4 5180 B14R1.6816 CCCCCCCCNC(=O)C1CC1 11a_100000229939_100000210395 [0,0,0,1,0,0|1,0,0]=2 5181 B14R1.6816 CCCCCCCCNC(=O)C1CC1 1626a_100000229939_100000210395 [0,0,0,1,0,0|1,0,0]=2 5182 B14R1.6816 CCCCCCCCNC(=O)C1CC1 240690a_100000229939_100000210395 [0,0,0,1,0,0|1,0,0]=2 5183 B14R1.6816 CCCCCCCCNC(=O)C1CC1 527a_100000229939_100000210395 [0,0,0,1,0,0|1,0,0]=2 5184 B14R1.6816 CCCCCCCCNC(=O)C1CO1 11a_100000229939_100000701028 [0,0,0,1,0,0|2,0,0]=3 5185 B14R1.6816 CCCCCCCCNC(=O)C1CO1 1626a_100000229939_100000701028 [0,0,0,1,0,0|2,0,0]=3 5186 B14R1.6816 CCCCCCCCNC(=O)C1CO1 240690a_100000229939_100000701028 [0,0,0,1,0,0|2,0,0]=3 5187 B14R1.6816 CCCCCCCCNC(=O)C1CO1 527a_100000229939_100000701028 [0,0,0,1,0,0|2,0,0]=3 5188 B14R1.6816 CCCCCCCCNC(C)C1CC1 2230a_100000700016_100000210759 [0,0,0,1,0,0|2,0,1]=4 5189 B14R1.6816 CCCCCCCCNC(C)C1CC1 269862a_100000229939_100000210639 [0,0,0,1,0,0|2,0,1]=4 5190 B14R1.6816 CCCCCCCCNC(C)C1CC1 34a_100000700016_100000210759 [0,0,0,1,0,0|2,0,1]=4 5191 B14R1.6816 CCCCCCCCOC(C)C1CC1 34a_100000744524_100000210759 [0,0,0,1,0,0|1,0,1]=3 5192 B14R1.6816 CCCCCCCCOC(C)C1CC1 7a_100000744524_100000210759 [0,0,0,1,0,0|1,0,1]=3 5193 B14R1.6816 CCCCCCCNCC(=O)C1CC1 2230a_100000229938_100000746382 [0,0,0,1,0,0|2,0,0]=3 5194 B14R1.6816 CCCCCCCOCC(=O)C1CC1 34a_100000210272_100000746382 [0,0,0,1,0,0|2,0,0]=3 5195 B14R1.6816 CCCCCCCOCC(=O)C1CC1 34a_100000686663_100000210614 [0,0,0,1,0,0|2,0,0]=3 5196 B14R1.6816 CCCCCCCOCC(=O)C1CC1 7a_100000210272_100000746382 [0,0,0,1,0,0|2,0,0]=3 5197 B14R1.6816 CCCCCCCSCC(=O)C1CC1 62a_100000210614_100000746382 [0,0,0,1,0,0|2,0,0]=3 5198 B14R1.6816 CCCCCCCSCC(=O)C1CC1 62a_100000746382_100000210316 [0,0,0,1,0,0|2,0,0]=3 5199 B14R1.6816 CCCCCCNCOC(=O)C1CC1 2230a_100000210581_100000140896 [0,0,0,1,0,0|1,0,0]=2 5200 B14R1.6816 CCCCCCOCOC(=O)C1CC1 34a_100000210259_100000140896 [0,0,0,1,0,0|1,0,0]=2 5201 B14R1.6816 CCCCCCSCOC(=O)C1CC1 62a_100000140896_100000210757 [0,0,0,1,0,0|1,0,0]=2 5202 B14R1.6816 CCCCCCSCOC(=O)C1CC1 62a_100000210314_100000140896 [0,0,0,1,0,0|1,0,0]=2 5203 B14R1.6816 CCCCOCCCNC(=O)C1CC1 1626a_200000211371_100000210395 [0,0,0,1,0,0|2,0,0]=3 5204 B14R1.6816 CCCCOCCCNC(=O)C1CC1 240690a_200000211371_100000210395 [0,0,0,1,0,0|2,0,0]=3 5205 B14R1.6816 CCCCOCCCNC(=O)C1CC1 527a_200000211371_100000210395 [0,0,0,1,0,0|2,0,0]=3 5206 B14R1.6816 CCCCOCCCNC(=O)C1CO1 1626a_200000211371_100000701028 [0,0,0,1,0,0|3,0,0]=4 5207 B14R1.6816 CCCCOCCCNC(=O)C1CO1 240690a_200000211371_100000701028 [0,0,0,1,0,0|3,0,0]=4 5208 B14R1.6816 CCCCOCCCNC(=O)C1CO1 527a_200000211371_100000701028 [0,0,0,1,0,0|3,0,0]=4 5209 B14R1.6816 CCCCOCCOCC(=O)C1CC1 34a_100000210238_100000746382 [0,0,0,1,0,0|3,0,0]=4 5210 B14R1.6816 CCCCOCCOCC(=O)C1CC1 34a_100000686663_100000743108 [0,0,0,1,0,0|3,0,0]=4 5211 B14R1.6816 CCCCOCCOCC(=O)C1CC1 7a_100000210238_100000746382 [0,0,0,1,0,0|3,0,0]=4 5212 B14R1.6816 CCCCOCCSCC(=O)C1CC1 62a_100000743108_100000746382 [0,0,0,1,0,0|3,0,0]=4 5213 B14R1.6816 CCCCOCCSCC(=O)C1CC1 62a_100000746382_100000743108 [0,0,0,1,0,0|3,0,0]=4 5214 B14R1.6816 CCCCOCSCOC(=O)C1CC1 62a_100000140896_100011995733 [0,0,0,1,0,0|2,0,0]=3 5215 B14R1.6816 CCCCOCSCOC(=O)C1CC1 62a_100011995733_100000140896 [0,0,0,1,0,0|2,0,0]=3 5216 B14R1.6816 CCCCSCCNCC(=O)C1CC1 2230a_100025743550_100000746382 [0,0,0,1,0,0|3,0,0]=4 5217 B14R1.6816 CCCCSCCOCC(=O)C1CC1 34a_200000230436_100000746382 [0,0,0,1,0,0|3,0,0]=4 5218 B14R1.6816 CCCCSCCOCC(=O)C1CC1 7a_200000230436_100000746382 [0,0,0,1,0,0|3,0,0]=4 5219 B14R1.6816 CCCOCCCNCC(=O)C1CC1 2230a_100011217757_100000746382 [0,0,0,1,0,0|3,0,0]=4 5220 B14R1.6816 CCCOCCCNCC(=O)C1CC1 34a_100011217757_100000746382 [0,0,0,1,0,0|3,0,0]=4 5221 B14R1.6816 CCCOCCNCOC(=O)C1CC1 2230a_100161115042_100000140896 [0,0,0,1,0,0|2,0,0]=3 5222 B14R1.6816 CCCOCCNCOC(=O)C1CC1 34a_100161115042_100000140896 [0,0,0,1,0,0|2,0,0]=3 5223 B14R1.6816 CCCOCCOCOC(=O)C1CC1 34a_100000752267_100000140896 [0,0,0,1,0,0|2,0,0]=3 5224 B14R1.6816 CCCOCCSCOC(=O)C1CC1 62a_100000140896_100011215938 [0,0,0,1,0,0|2,0,0]=3 5225 B14R1.6816 CCCOCCSCOC(=O)C1CC1 62a_100011215938_100000140896 [0,0,0,1,0,0|2,0,0]=3 5226 B14R1.6816 CCCSCCNCOC(=O)C1CC1 2230a_100020603323_100000140896 [0,0,0,1,0,0|2,0,0]=3 5227 B14R1.6816 CCCSCCOCOC(=O)C1CC1 34a_200000230433_100000140896 [0,0,0,1,0,0|2,0,0]=3 5228 B14R1.6816 CCOCCCNCOC(=O)C1CC1 2230a_100000210961_100000140896 [0,0,0,1,0,0|2,0,0]=3 5229 B14R1.6816 CCOCCCNCOC(=O)C1CC1 34a_100000210961_100000140896 [0,0,0,1,0,0|2,0,0]=3 5230 B14R1.6816 CCOCCCOCOC(=O)C1CC1 34a_100000757476_100000140896 [0,0,0,1,0,0|2,0,0]=3 5231 B14R1.6816 CCOCCCSCOC(=O)C1CC1 62a_100000140896_100012232248 [0,0,0,1,0,0|2,0,0]=3 5232 B14R1.6816 CCOCCCSCOC(=O)C1CC1 62a_100012232248_100000140896 [0,0,0,1,0,0|2,0,0]=3 5233 B14R1.6816 CCOCCOCCNC(=O)C1CC1 11a_100102712874_100000210395 [0,0,0,1,0,0|3,0,0]=4 5234 B14R1.6816 CCOCCOCCNC(=O)C1CC1 1626a_100102712874_100000210395 [0,0,0,1,0,0|3,0,0]=4 5235 B14R1.6816 CCOCCOCCNC(=O)C1CC1 240690a_100102712874_100000210395 [0,0,0,1,0,0|3,0,0]=4 5236 B14R1.6816 CCOCCOCCNC(=O)C1CC1 527a_100102712874_100000210395 [0,0,0,1,0,0|3,0,0]=4 5237 B14R1.6816 CCSCCCOCOC(=O)C1CC1 34a_100011216438_100000140896 [0,0,0,1,0,0|2,0,0]=3 5238 B14R1.6816 CNCCCCCOCC(=O)C1CC1 34a_100000722520_100000746382 [0,0,0,1,0,0|3,0,0]=4 5239 B14R1.6816 COCCCCCCOC(C)C1CC1 34a_100000744524_100011998445 [0,0,0,1,0,0|2,0,1]=4 5240 B14R1.6816 COCCCCCCOC(C)C1CC1 7a_100000744524_100011998445 [0,0,0,1,0,0|2,0,1]=4 5241 B14R1.6816 COCCCCCNCC(=O)C1CC1 2230a_100000747528_100000746382 [0,0,0,1,0,0|3,0,0]=4 5242 B14R1.6816 COCCCCCNCC(=O)C1CC1 34a_100000747528_100000746382 [0,0,0,1,0,0|3,0,0]=4 5243 B14R1.6816 COCCCCOCOC(=O)C1CC1 34a_100000740925_100000140896 [0,0,0,1,0,0|2,0,0]=3 5244 B14R1.6816 COCCCCSCOC(=O)C1CC1 62a_100000140896_100000730899 [0,0,0,1,0,0|2,0,0]=3 5245 B14R1.6816 COCCCCSCOC(=O)C1CC1 62a_100000730899_100000140896 [0,0,0,1,0,0|2,0,0]=3 5246 B14R1.6816 COCCOCCCNC(=O)C1CC1 1626a_100000206027_100000210395 [0,0,0,1,0,0|3,0,0]=4 5247 B14R1.6816 COCCOCCCNC(=O)C1CC1 240690a_100000206027_100000210395 [0,0,0,1,0,0|3,0,0]=4 5248 B14R1.6816 COCCOCSCOC(=O)C1CC1 62a_100000140896_100000231047 [0,0,0,1,0,0|3,0,0]=4 5249 B14R1.6816 COCCOCSCOC(=O)C1CC1 62a_100000231047_100000140896 [0,0,0,1,0,0|3,0,0]=4 5250 B14R1.6816 CSCCCCOCOC(=O)C1CC1 34a_100011217163_100000140896 [0,0,0,1,0,0|2,0,0]=3 5251 B14R1.6816 N#CCCCCSCOC(=O)C1CC1 62a_100000140896_100000211819 [0,0,0,1,0,0|2,0,1]=4 5252 B14R1.6816 N#CCCCCSCOC(=O)C1CC1 62a_100011219923_100000140896 [0,0,0,1,0,0|2,0,1]=4 5253 B14R1.6816 NCCCCCCOCC(=O)C1CC1 34a_100000686447_100000746382 [0,0,0,1,0,0|3,0,0]=4 5254 B14R1.6816 NCCCCCOCOC(=O)C1CC1 34a_100000762737_100000140896 [0,0,0,1,0,0|2,0,0]=3 5255 B14R1.6816 NCCOCCOCOC(=O)C1CC1 34a_100000211614_100000140896 [0,0,0,1,0,0|3,0,0]=4 5256 B14R1.6816 O=C(CCCCCCCCO)C1CC1 1458a_100000210395_100000033203 [0,0,0,1,0,0|2,0,0]=3 5257 B14R1.6816 O=C(CCCCCCCCO)C1CO1 1458a_100000701028_100000033203 [0,0,0,1,0,0|3,0,0]=4 5258 B14R1.6816 O=C(CNCCCCCCO)C1CC1 2230a_100000686447_100000746382 [0,0,0,1,0,0|3,0,0]=4 5259 B14R1.6816 O=C(CNCCCCCCO)C1CC1 34a_100000686447_100000746382 [0,0,0,1,0,0|3,0,0]=4 5260 B14R1.6816 O=C(COCCCCCCBr)C1CC1 34a_100011215345_100000746382 [0,0,0,1,0,0|3,0,0]=4 5261 B14R1.6816 O=C(COCCCCCCBr)C1CC1 7a_100011215345_100000746382 [0,0,0,1,0,0|3,0,0]=4 5262 B14R1.6816 O=C(COCCCCCCCl)C1CC1 34a_100000766143_100000746382 [0,0,0,1,0,0|3,0,0]=4 5263 B14R1.6816 O=C(COCCCCCCCl)C1CC1 7a_100000766143_100000746382 [0,0,0,1,0,0|3,0,0]=4 5264 B14R1.6816 O=C(COCCCCCCF)C1CC1 34a_100000686663_100015922095 [0,0,0,1,0,0|3,0,0]=4 5265 B14R1.6816 O=C(COCCCCCCF)C1CC1 34a_100000732779_100000746382 [0,0,0,1,0,0|3,0,0]=4 5266 B14R1.6816 O=C(COCCCCCCF)C1CC1 7a_100000732779_100000746382 [0,0,0,1,0,0|3,0,0]=4 5267 B14R1.6816 O=C(COCCCCCCO)C1CC1 34a_100000686663_100000766143 [0,0,0,1,0,0|3,0,0]=4 5268 B14R1.6816 O=C(CSCCCCCCF)C1CC1 62a_100000746382_100015922095 [0,0,0,1,0,0|3,0,0]=4 5269 B14R1.6816 O=C(CSCCCCCCF)C1CC1 62a_100015922095_100000746382 [0,0,0,1,0,0|3,0,0]=4 5270 B14R1.6816 O=C(CSCCCCCCO)C1CC1 62a_100000746382_100000766143 [0,0,0,1,0,0|3,0,0]=4 5271 B14R1.6816 O=C(CSCCCCCCO)C1CC1 62a_100000766143_100000746382 [0,0,0,1,0,0|3,0,0]=4 5272 B14R1.6816 O=C(NCCCCCCCO)C1CC1 240690a_100011996573_100000210395 [0,0,0,1,0,0|2,0,0]=3 5273 B14R1.6816 O=C(NCCCCCCCO)C1CO1 240690a_100011996573_100000701028 [0,0,0,1,0,0|3,0,0]=4 5274 B14R1.6816 O=C(NCCCOCCCO)C1CC1 240690a_100011310245_100000210395 [0,0,0,1,0,0|3,0,0]=4 5275 B14R1.6816 O=C(OCNCCCCCO)C1CC1 2230a_100000762737_100000140896 [0,0,0,1,0,0|2,0,0]=3 5276 B14R1.6816 O=C(OCNCCCCCO)C1CC1 34a_100000762737_100000140896 [0,0,0,1,0,0|2,0,0]=3 5277 B14R1.6816 O=C(OCNCCOCCO)C1CC1 2230a_100000211614_100000140896 [0,0,0,1,0,0|3,0,0]=4 5278 B14R1.6816 O=C(OCNCCOCCO)C1CC1 34a_100000211614_100000140896 [0,0,0,1,0,0|3,0,0]=4 5279 B14R1.6816 O=C(OCNCCSCCO)C1CC1 2230a_100011219999_100000140896 [0,0,0,1,0,0|3,0,0]=4 5280 B14R1.6816 O=C(OCOCCCCCBr)C1CC1 34a_100000746331_100000140896 [0,0,0,1,0,0|2,0,0]=3 5281 B14R1.6816 O=C(OCOCCCCCCl)C1CC1 34a_100000746330_100000140896 [0,0,0,1,0,0|2,0,0]=3 5282 B14R1.6816 O=C(OCOCCCCCI)C1CC1 34a_200012148887_100000140896 [0,0,0,1,0,0|2,0,0]=3 5283 B14R1.6816 O=C(OCOCCOCCBr)C1CC1 34a_100000692535_100000140896 [0,0,0,1,0,0|3,0,0]=4 5284 B14R1.6816 O=C(OCOCCOCCCl)C1CC1 34a_100011215305_100000140896 [0,0,0,1,0,0|3,0,0]=4 5285 B14R1.6816 O=C(OCOCCOCCF)C1CC1 34a_200015357709_100000140896 [0,0,0,1,0,0|3,0,0]=4 5286 B14R1.6816 O=C(OCOCCOCCI)C1CC1 34a_100012149058_100000140896 [0,0,0,1,0,0|3,0,0]=4 5287 B14R1.6816 O=C(OCSCCCCCF)C1CC1 62a_100000140896_100000729378 [0,0,0,1,0,0|2,0,0]=3 5288 B14R1.6816 O=C(OCSCCCCCF)C1CC1 62a_100000729378_100000140896 [0,0,0,1,0,0|2,0,0]=3 5289 B14R1.6816 O=C(OCSCCCCCO)C1CC1 62a_100000140896_100000746330 [0,0,0,1,0,0|2,0,0]=3 5290 B14R1.6816 O=C(OCSCCCCCO)C1CC1 62a_100000746330_100000140896 [0,0,0,1,0,0|2,0,0]=3 5291 B14R1.6816 O=C(OCSCCOCCO)C1CC1 62a_100000140896_100011215305 [0,0,0,1,0,0|3,0,0]=4 5292 B14R1.6816 O=C(OCSCCOCCO)C1CC1 62a_100011215305_100000140896 [0,0,0,1,0,0|3,0,0]=4 5293 B14R1.6816 O=CCCCCSCOC(=O)C1CC1 62a_100000139335_100000140896 [0,0,0,1,0,0|2,0,1]=4 5294 B14R1.6816 O=CCCCCSCOC(=O)C1CC1 62a_100000140896_100000139335 [0,0,0,1,0,0|2,0,1]=4 5295 B14R1.7119 C#CCC(=O)N1CCCCCCCC1 1626a_100000039187_100011220946 [0,0,0,1,0,0|1,0,2]=4 5296 B14R1.7119 C#CCC(=O)N1CCCCCCCC1 527a_100000039187_100011220946 [0,0,0,1,0,0|1,0,2]=4 5297 B14R1.7119 C=CCC(=O)N1CCCCCCCC1 11a_100000039187_100000210193 [0,0,0,1,0,0|1,0,2]=4 5298 B14R1.7119 C=CCC(=O)N1CCCCCCCC1 1626a_100000039187_100000210193 [0,0,0,1,0,0|1,0,2]=4 5299 B14R1.7119 C=CCC(=O)N1CCCCCCCC1 240690a_100000039187_100000210193 [0,0,0,1,0,0|1,0,2]=4 5300 B14R1.7119 C=CCC(=O)N1CCCCCCCC1 527a_100000039187_100000210193 [0,0,0,1,0,0|1,0,2]=4 5301 B14R1.7119 CC=CC(=O)N1CCCCCCCC1 11a_100000039187_100000210699 [0,0,0,1,0,0|1,0,2]=4 5302 B14R1.7119 CC=CC(=O)N1CCCCCCCC1 1626a_100000039187_100000210699 [0,0,0,1,0,0|1,0,2]=4 5303 B14R1.7119 CC=CC(=O)N1CCCCCCCC1 240690a_100000039187_100000210699 [0,0,0,1,0,0|1,0,2]=4 5304 B14R1.7119 CCCC(=O)N1CCCCCCCC1 11a_100000039187_100000211992 [0,0,0,1,0,0|1,0,0]=2 5305 B14R1.7119 CCCC(=O)N1CCCCCCCC1 1626a_100000039187_100000211992 [0,0,0,1,0,0|1,0,0]=2 5306 B14R1.7119 CCCC(=O)N1CCCCCCCC1 240690a_100000039187_100000211992 [0,0,0,1,0,0|1,0,0]=2 5307 B14R1.7119 CCCC(=O)N1CCCCCCCC1 527a_100000039187_100000211992 [0,0,0,1,0,0|1,0,0]=2 5308 B14R1.7119 CCCC(C)N1CCCCCCCC1 2230a_100000039187_100000766640 [0,0,0,1,0,0|2,0,1]=4 5309 B14R1.7119 CCCC(C)N1CCCCCCCC1 269982a_100000039187_100000766640 [0,0,0,1,0,0|2,0,1]=4 5310 B14R1.7119 CCCC(C)N1CCCCCCCC1 270004a_100000039187_100000211909 [0,0,0,1,0,0|2,0,1]=4 5311 B14R1.7119 CCCC(C)N1CCCCCCCC1 34a_100000039187_100000766640 [0,0,0,1,0,0|2,0,1]=4 5312 B14R1.7119 CCCN(C)C1CCCCCCCC1 270004a_100000747261_100000038600 [0,0,0,1,0,0|3,0,0]=4 5313 B14R1.7119 CCNC(=O)N1CCCCCCCC1 2708a_100015525214_100000039187 [0,0,0,1,0,0|2,0,0]=3 5314 B14R1.7119 CCNC(=O)N1CCCCCCCC1 273464a_100015525214_100000039187 [0,0,0,1,0,0|2,0,0]=3 5315 B14R1.7119 COCC(=O)N1CCCCCCCC1 11a_100000039187_100000210968 [0,0,0,1,0,0|2,0,0]=3 5316 B14R1.7119 COCC(=O)N1CCCCCCCC1 1626a_100000039187_100000210968 [0,0,0,1,0,0|2,0,0]=3 5317 B14R1.7119 COCC(=O)N1CCCCCCCC1 240690a_100000039187_100000210968 [0,0,0,1,0,0|2,0,0]=3 5318 B14R1.7119 COCC(=O)N1CCCCCCCC1 527a_100000039187_100000210968 [0,0,0,1,0,0|2,0,0]=3 5319 B14R1.7119 CSCC(=O)N1CCCCCCCC1 11a_100000039187_100000184570 [0,0,0,1,0,0|2,0,0]=3 5320 B14R1.7119 CSCC(=O)N1CCCCCCCC1 1626a_100000039187_100000184570 [0,0,0,1,0,0|2,0,0]=3 5321 B14R1.7119 CSCC(=O)N1CCCCCCCC1 240690a_100000039187_100000184570 [0,0,0,1,0,0|2,0,0]=3 5322 B14R1.7119 CSCC(=O)N1CCCCCCCC1 527a_100000039187_100000184570 [0,0,0,1,0,0|2,0,0]=3 5323 B14R1.7119 N#CCC(=O)N1CCCCCCCC1 1626a_100000039187_100051588842 [0,0,0,1,0,0|2,0,1]=4 5324 B14R1.7119 N#CCC(=O)N1CCCCCCCC1 240690a_100000039187_100051588842 [0,0,0,1,0,0|2,0,1]=4 5325 B14R1.7119 O=C(CCO)N1CCCCCCCC1 240690a_100000039187_100011216618 [0,0,0,1,0,0|2,0,0]=3 5326 B14R1.7146 C#CCC(=O)NCC1CCCCCC1 1626a_100015204231_100011220946 [0,0,0,1,0,0|1,0,2]=4 5327 B14R1.7146 C#CCC(=O)NCC1CCCCCC1 527a_100015204231_100011220946 [0,0,0,1,0,0|1,0,2]=4 5328 B14R1.7146 C=CCC(=O)NCC1CCCCCC1 11a_100015204231_100000210193 [0,0,0,1,0,0|1,0,2]=4 5329 B14R1.7146 C=CCC(=O)NCC1CCCCCC1 1626a_100015204231_100000210193 [0,0,0,1,0,0|1,0,2]=4 5330 B14R1.7146 C=CCC(=O)NCC1CCCCCC1 240690a_100015204231_100000210193 [0,0,0,1,0,0|1,0,2]=4 5331 B14R1.7146 C=CCC(=O)NCC1CCCCCC1 527a_100015204231_100000210193 [0,0,0,1,0,0|1,0,2]=4 5332 B14R1.7146 CC(CCBr)OCC1CCCCCC1 34a_100012276601_200000696569 [0,0,0,1,0,0|2,0,1]=4 5333 B14R1.7146 CC(CCO)OCC1CCCCCC1 34a_100000699130_100009893172 [0,0,0,1,0,0|2,0,1]=4 5334 B14R1.7146 CC(CCO)OCC1CCCCCC1 7a_100000699130_100009893172 [0,0,0,1,0,0|2,0,1]=4 5335 B14R1.7146 CC=CC(=O)NCC1CCCCCC1 11a_100015204231_100000210699 [0,0,0,1,0,0|1,0,2]=4 5336 B14R1.7146 CC=CC(=O)NCC1CCCCCC1 1626a_100015204231_100000210699 [0,0,0,1,0,0|1,0,2]=4 5337 B14R1.7146 CC=CC(=O)NCC1CCCCCC1 240690a_100015204231_100000210699 [0,0,0,1,0,0|1,0,2]=4 5338 B14R1.7146 CCCC(=O)CCN1CCCCCC1 1458a_100000211992_100000722644 [0,0,0,1,0,0|2,0,0]=3 5339 B14R1.7146 CCCC(=O)CCN1CCCCCC1 1458a_100000740320_100000210303 [0,0,0,1,0,0|2,0,0]=3 5340 B14R1.7146 CCCC(=O)CNC1CCCCCC1 2230a_100000210984_100000747444 [0,0,0,1,0,0|2,0,0]=3 5341 B14R1.7146 CCCC(=O)COC1CCCCCC1 7a_100000210887_100000747444 [0,0,0,1,0,0|2,0,0]=3 5342 B14R1.7146 CCCC(=O)CSC1CCCCCC1 62a_100000747444_100011217769 [0,0,0,1,0,0|2,0,0]=3 5343 B14R1.7146 CCCC(=O)CSC1CCCCCC1 62a_100011217769_100000747444 [0,0,0,1,0,0|2,0,0]=3 5344 B14R1.7146 CCCC(=O)NCC1CCCCCC1 11a_100015204231_100000211992 [0,0,0,1,0,0|1,0,0]=2 5345 B14R1.7146 CCCC(=O)NCC1CCCCCC1 1626a_100015204231_100000211992 [0,0,0,1,0,0|1,0,0]=2 5346 B14R1.7146 CCCC(=O)NCC1CCCCCC1 240690a_100015204231_100000211992 [0,0,0,1,0,0|1,0,0]=2 5347 B14R1.7146 CCCC(=O)NCC1CCCCCC1 527a_100015204231_100000211992 [0,0,0,1,0,0|1,0,0]=2 5348 B14R1.7146 CCCC(=O)NN=C1CCCCCC1 4a_100000189770_100000210131 [0,0,0,1,0,0|2,0,1]=4 5349 B14R1.7146 CCCC(=O)OCN1CCCCCC1 2230a_100000185865_100000034017 [0,0,0,1,0,0|1,0,0]=2 5350 B14R1.7146 CCCC(=O)OCN1CCCCCC1 269982a_100000185865_100000034017 [0,0,0,1,0,0|1,0,0]=2 5351 B14R1.7146 CCCC(=O)OCN1CCCCCC1 34a_100000185865_100000034017 [0,0,0,1,0,0|1,0,0]=2 5352 B14R1.7146 CCCC(=O)OCN1CCCOCC1 2230a_100000685342_100000034017 [0,0,0,1,0,0|2,0,0]=3 5353 B14R1.7146 CCCC(=O)OCN1CCCOCC1 269982a_100000685342_100000034017 [0,0,0,1,0,0|2,0,0]=3 5354 B14R1.7146 CCCC(=O)OCN1CCCOCC1 34a_100000685342_100000034017 [0,0,0,1,0,0|2,0,0]=3 5355 B14R1.7146 CCCC(C)NCC1CCCCCC1 2230a_100000741246_200000696569 [0,0,0,1,0,0|2,0,1]=4 5356 B14R1.7146 CCCC(C)NCC1CCCCCC1 2230a_100015204231_100000766640 [0,0,0,1,0,0|2,0,1]=4 5357 B14R1.7146 CCCC(C)NCC1CCCCCC1 269862a_100000741246_200000763224 [0,0,0,1,0,0|2,0,1]=4 5358 B14R1.7146 CCCC(C)NCC1CCCCCC1 270004a_100015204231_100000211909 [0,0,0,1,0,0|2,0,1]=4 5359 B14R1.7146 CCCC(C)NCC1CCCCCC1 34a_100015204231_100000766640 [0,0,0,1,0,0|2,0,1]=4 5360 B14R1.7146 CCCC(C)OCC1CCCCCC1 34a_100000699130_100000766640 [0,0,0,1,0,0|1,0,1]=3 5361 B14R1.7146 CCCC(C)OCC1CCCCCC1 34a_100000764384_200000696569 [0,0,0,1,0,0|1,0,1]=3 5362 B14R1.7146 CCCC(C)OCC1CCCCCC1 7a_100000699130_100000766640 [0,0,0,1,0,0|1,0,1]=3 5363 B14R1.7146 CCCC(C)OCC1CCCCCC1 7a_100000764384_200000696569 [0,0,0,1,0,0|1,0,1]=3 5364 B14R1.7146 CCCC(C)SCC1CCCCCC1 62a_100000766640_200000696569 [0,0,0,1,0,0|1,1,1]=4 5365 B14R1.7146 CCCC(C)SCC1CCCCCC1 62a_200000696569_100000766640 [0,0,0,1,0,0|1,1,1]=4 5366 B14R1.7146 CCNC(=O)CCN1CCCCCC1 2230a_100000185865_100000737597 [0,0,0,1,0,0|3,0,0]=4 5367 B14R1.7146 CCNC(=O)CCN1CCCCCC1 240690a_100015525214_100000740320 [0,0,0,1,0,0|3,0,0]=4 5368 B14R1.7146 CCNC(=O)CCN1CCCCCC1 269982a_100000185865_100000737597 [0,0,0,1,0,0|3,0,0]=4 5369 B14R1.7146 CCNC(=O)CNC1CCCCCC1 2230a_100000210984_100000183381 [0,0,0,1,0,0|3,0,0]=4 5370 B14R1.7146 CCNC(=O)CNC1CCCCCC1 270004a_100016988866_100000210131 [0,0,0,1,0,0|3,0,0]=4 5371 B14R1.7146 CCNC(=O)CNC1CCCCCC1 34a_100000210984_100000183381 [0,0,0,1,0,0|3,0,0]=4 5372 B14R1.7146 CCNC(=O)COC1CCCCCC1 34a_100000210887_100000183381 [0,0,0,1,0,0|3,0,0]=4 5373 B14R1.7146 CCNC(=O)COC1CCCCCC1 7a_100000210887_100000183381 [0,0,0,1,0,0|3,0,0]=4 5374 B14R1.7146 CCNC(=O)CSC1CCCCCC1 62a_100000183381_100011217769 [0,0,0,1,0,0|3,0,0]=4 5375 B14R1.7146 CCNC(=O)CSC1CCCCCC1 62a_100011217769_100000183381 [0,0,0,1,0,0|3,0,0]=4 5376 B14R1.7146 CCNC(=O)NCC1CCCCCC1 2708a_100015204231_100015525214 [0,0,0,1,0,0|2,0,0]=3 5377 B14R1.7146 CCNC(=O)NCC1CCCCCC1 2708a_100015525214_100015204231 [0,0,0,1,0,0|2,0,0]=3 5378 B14R1.7146 CCNC(=O)NCC1CCCCCC1 273464a_100015204231_100015525214 [0,0,0,1,0,0|2,0,0]=3 5379 B14R1.7146 CCNC(=O)NCC1CCCCCC1 273464a_100015525214_100015204231 [0,0,0,1,0,0|2,0,0]=3 5380 B14R1.7146 CCNC(=O)NCC1CCCCCC1 512a_100015525214_100015204231 [0,0,0,1,0,0|2,0,0]=3 5381 B14R1.7146 CCOC(=O)CCN1CCCCCC1 2230a_100000185865_100011206558 [0,0,0,1,0,0|3,0,0]=4 5382 B14R1.7146 CCOC(=O)CCN1CCCCCC1 269982a_100000185865_100011206558 [0,0,0,1,0,0|3,0,0]=4 5383 B14R1.7146 CCOC(=O)CCN1CCCCCC1 34a_100000185865_100000765890 [0,0,0,1,0,0|3,0,0]=4 5384 B14R1.7146 CCOC(=O)CNC1CCCCCC1 2230a_100000210984_100000188475 [0,0,0,1,0,0|3,0,0]=4 5385 B14R1.7146 CCOC(=O)CNC1CCCCCC1 34a_100000210984_100000188475 [0,0,0,1,0,0|3,0,0]=4 5386 B14R1.7146 CCOC(=O)COC1CCCCCC1 34a_100000210887_100000188475 [0,0,0,1,0,0|3,0,0]=4 5387 B14R1.7146 CCOC(=O)COC1CCCCCC1 7a_100000210887_100000188475 [0,0,0,1,0,0|3,0,0]=4 5388 B14R1.7146 CCOC(=O)CSC1CCCCCC1 62a_100000188475_100011217769 [0,0,0,1,0,0|3,0,0]=4 5389 B14R1.7146 CCOC(=O)CSC1CCCCCC1 62a_100011217769_100000188475 [0,0,0,1,0,0|3,0,0]=4 5390 B14R1.7146 CNNC(=O)NCC1CCCCCC1 273464a_100015204231_100016993582 [0,0,0,1,0,0|3,0,0]=4 5391 B14R1.7146 CNNC(=O)NCC1CCCCCC1 512a_100016993582_100015204231 [0,0,0,1,0,0|3,0,0]=4 5392 B14R1.7146 COCC(=O)CCN1CCCCCC1 1458a_100000210968_100000722644 [0,0,0,1,0,0|3,0,0]=4 5393 B14R1.7146 COCC(=O)NCC1CCCCCC1 11a_100015204231_100000210968 [0,0,0,1,0,0|2,0,0]=3 5394 B14R1.7146 COCC(=O)NCC1CCCCCC1 1626a_100015204231_100000210968 [0,0,0,1,0,0|2,0,0]=3 5395 B14R1.7146 COCC(=O)NCC1CCCCCC1 240690a_100015204231_100000210968 [0,0,0,1,0,0|2,0,0]=3 5396 B14R1.7146 COCC(=O)NCC1CCCCCC1 527a_100015204231_100000210968 [0,0,0,1,0,0|2,0,0]=3 5397 B14R1.7146 COCC(C)OCC1CCCCCC1 34a_100000699130_100000765312 [0,0,0,1,0,0|2,0,1]=4 5398 B14R1.7146 COCC(C)OCC1CCCCCC1 7a_100000699130_100000765312 [0,0,0,1,0,0|2,0,1]=4 5399 B14R1.7146 COC[C@@H](C)OCC1CCCCCC1 34a_100011934205_200000696569 [0,0,0,1,0,0|2,0,1]=4 5400 B14R1.7146 CSCC(=O)CCN1CCCCCC1 1458a_100000184570_100000722644 [0,0,0,1,0,0|3,0,0]=4 5401 B14R1.7146 CSCC(=O)NCC1CCCCCC1 11a_100015204231_100000184570 [0,0,0,1,0,0|2,0,0]=3 5402 B14R1.7146 CSCC(=O)NCC1CCCCCC1 1626a_100015204231_100000184570 [0,0,0,1,0,0|2,0,0]=3 5403 B14R1.7146 CSCC(=O)NCC1CCCCCC1 240690a_100015204231_100000184570 [0,0,0,1,0,0|2,0,0]=3 5404 B14R1.7146 CSCC(=O)NCC1CCCCCC1 527a_100015204231_100000184570 [0,0,0,1,0,0|2,0,0]=3 5405 B14R1.7146 N#CCC(=O)NCC1CCCCCC1 1626a_100015204231_100051588842 [0,0,0,1,0,0|2,0,1]=4 5406 B14R1.7146 N#CCC(=O)NCC1CCCCCC1 240690a_100015204231_100051588842 [0,0,0,1,0,0|2,0,1]=4 5407 B14R1.7146 O=C(CCF)CCN1CCCCCC1 1458a_100000740320_100011217306 [0,0,0,1,0,0|3,0,0]=4 5408 B14R1.7146 O=C(CCO)CCN1CCCCCC1 1458a_100000740320_100000211926 [0,0,0,1,0,0|3,0,0]=4 5409 B14R1.7146 O=C(CCO)CCN1CCCCCC1 1458a_100011216618_100000722644 [0,0,0,1,0,0|3,0,0]=4 5410 B14R1.7146 O=C(CCO)NCC1CCCCCC1 240690a_100015204231_100011216618 [0,0,0,1,0,0|2,0,0]=3 5411 B14R1.7343 C#CCC(=O)NC1CCCCCCC1 1626a_100000211152_100011220946 [0,0,0,1,0,0|1,0,2]=4 5412 B14R1.7343 C#CCC(=O)NC1CCCCCCC1 527a_100000211152_100011220946 [0,0,0,1,0,0|1,0,2]=4 5413 B14R1.7343 C=CCC(=O)NC1CCCCCCC1 11a_100000211152_100000210193 [0,0,0,1,0,0|1,0,2]=4 5414 B14R1.7343 C=CCC(=O)NC1CCCCCCC1 1626a_100000211152_100000210193 [0,0,0,1,0,0|1,0,2]=4 5415 B14R1.7343 C=CCC(=O)NC1CCCCCCC1 240690a_100000211152_100000210193 [0,0,0,1,0,0|1,0,2]=4 5416 B14R1.7343 C=CCC(=O)NC1CCCCCCC1 527a_100000211152_100000210193 [0,0,0,1,0,0|1,0,2]=4 5417 B14R1.7343 CC(CCO)OC1CCCCCCC1 34a_100000210054_100009893172 [0,0,0,1,0,0|2,0,1]=4 5418 B14R1.7343 CC(CCO)OC1CCCCCCC1 7a_100000210054_100009893172 [0,0,0,1,0,0|2,0,1]=4 5419 B14R1.7343 CC=CC(=O)NC1CCCCCCC1 11a_100000211152_100000210699 [0,0,0,1,0,0|1,0,2]=4 5420 B14R1.7343 CC=CC(=O)NC1CCCCCCC1 1626a_100000211152_100000210699 [0,0,0,1,0,0|1,0,2]=4 5421 B14R1.7343 CC=CC(=O)NC1CCCCCCC1 240690a_100000211152_100000210699 [0,0,0,1,0,0|1,0,2]=4 5422 B14R1.7343 CCCC(=O)CN1CCCCCCC1 2230a_100000211400_100000747444 [0,0,0,1,0,0|2,0,0]=3 5423 B14R1.7343 CCCC(=O)CN1CCCCCCC1 269982a_100000211400_100000747444 [0,0,0,1,0,0|2,0,0]=3 5424 B14R1.7343 CCCC(=O)NC1CCCCCCC1 11a_100000211152_100000211992 [0,0,0,1,0,0|1,0,0]=2 5425 B14R1.7343 CCCC(=O)NC1CCCCCCC1 1626a_100000211152_100000211992 [0,0,0,1,0,0|1,0,0]=2 5426 B14R1.7343 CCCC(=O)NC1CCCCCCC1 240690a_100000211152_100000211992 [0,0,0,1,0,0|1,0,0]=2 5427 B14R1.7343 CCCC(=O)NC1CCCCCCC1 527a_100000211152_100000211992 [0,0,0,1,0,0|1,0,0]=2 5428 B14R1.7343 CCCC(C)NC1CCCCCCC1 2230a_100000211152_100000766640 [0,0,0,1,0,0|2,0,1]=4 5429 B14R1.7343 CCCC(C)NC1CCCCCCC1 270004a_100000211152_100000211909 [0,0,0,1,0,0|2,0,1]=4 5430 B14R1.7343 CCCC(C)NC1CCCCCCC1 270004a_100000741246_100000210524 [0,0,0,1,0,0|2,0,1]=4 5431 B14R1.7343 CCCC(C)NC1CCCCCCC1 34a_100000211152_100000766640 [0,0,0,1,0,0|2,0,1]=4 5432 B14R1.7343 CCCC(C)OC1CCCCCCC1 34a_100000210054_100000766640 [0,0,0,1,0,0|1,0,1]=3 5433 B14R1.7343 CCCC(C)OC1CCCCCCC1 7a_100000210054_100000766640 [0,0,0,1,0,0|1,0,1]=3 5434 B14R1.7343 CCNC(=O)CN1CCCCCCC1 2230a_100000211400_100000183381 [0,0,0,1,0,0|3,0,0]=4 5435 B14R1.7343 CCNC(=O)CN1CCCCCCC1 269982a_100000211400_100000183381 [0,0,0,1,0,0|3,0,0]=4 5436 B14R1.7343 CCNC(=O)CN1CCCCCCC1 34a_100000211400_100000183381 [0,0,0,1,0,0|3,0,0]=4 5437 B14R1.7343 CCNC(=O)NC1CCCCCCC1 2708a_100000211152_100015525214 [0,0,0,1,0,0|2,0,0]=3 5438 B14R1.7343 CCNC(=O)NC1CCCCCCC1 2708a_100015525214_100000211152 [0,0,0,1,0,0|2,0,0]=3 5439 B14R1.7343 CCNC(=O)NC1CCCCCCC1 273464a_100000211152_100015525214 [0,0,0,1,0,0|2,0,0]=3 5440 B14R1.7343 CCNC(=O)NC1CCCCCCC1 273464a_100015525214_100000211152 [0,0,0,1,0,0|2,0,0]=3 5441 B14R1.7343 CCNC(=O)NC1CCCCCCC1 512a_100000211152_100015525214 [0,0,0,1,0,0|2,0,0]=3 5442 B14R1.7343 CCNC(=O)NC1CCCCCCC1 512a_100015525214_100000211152 [0,0,0,1,0,0|2,0,0]=3 5443 B14R1.7343 CCOC(=O)CN1CCCCCCC1 2230a_100000211400_100000188475 [0,0,0,1,0,0|3,0,0]=4 5444 B14R1.7343 CCOC(=O)CN1CCCCCCC1 269982a_100000211400_100000188475 [0,0,0,1,0,0|3,0,0]=4 5445 B14R1.7343 CCOC(=O)CN1CCCCCCC1 34a_100000211400_100000188475 [0,0,0,1,0,0|3,0,0]=4 5446 B14R1.7343 CNCC(=O)NC1CCCCCCC1 2230a_106832991635_100000183010 [0,0,0,1,0,0|2,0,0]=3 5447 B14R1.7343 CNCC(=O)NC1CCCCCCC1 34a_100102657272_100000183010 [0,0,0,1,0,0|2,0,0]=3 5448 B14R1.7343 CNCC(=O)NC1CCCCCCC1 7a_106832991635_100000183010 [0,0,0,1,0,0|2,0,0]=3 5449 B14R1.7343 CNNC(=O)NC1CCCCCCC1 273464a_100000211152_100016993582 [0,0,0,1,0,0|3,0,0]=4 5450 B14R1.7343 CNNC(=O)NC1CCCCCCC1 512a_100000211152_100016993582 [0,0,0,1,0,0|3,0,0]=4 5451 B14R1.7343 CNNC(=O)NC1CCCCCCC1 512a_100016993582_100000211152 [0,0,0,1,0,0|3,0,0]=4 5452 B14R1.7343 COCC(=O)NC1CCCCCCC1 11a_100000211152_100000210968 [0,0,0,1,0,0|2,0,0]=3 5453 B14R1.7343 COCC(=O)NC1CCCCCCC1 1626a_100000211152_100000210968 [0,0,0,1,0,0|2,0,0]=3 5454 B14R1.7343 COCC(=O)NC1CCCCCCC1 240690a_100000211152_100000210968 [0,0,0,1,0,0|2,0,0]=3 5455 B14R1.7343 COCC(=O)NC1CCCCCCC1 34a_100138415774_100000183010 [0,0,0,1,0,0|2,0,0]=3 5456 B14R1.7343 COCC(=O)NC1CCCCCCC1 527a_100000211152_100000210968 [0,0,0,1,0,0|2,0,0]=3 5457 B14R1.7343 COCC(C)OC1CCCCCCC1 34a_100000210054_100000765312 [0,0,0,1,0,0|2,0,1]=4 5458 B14R1.7343 COCC(C)OC1CCCCCCC1 7a_100000210054_100000765312 [0,0,0,1,0,0|2,0,1]=4 5459 B14R1.7343 CSCC(=O)NC1CCCCCCC1 11a_100000211152_100000184570 [0,0,0,1,0,0|2,0,0]=3 5460 B14R1.7343 CSCC(=O)NC1CCCCCCC1 1626a_100000211152_100000184570 [0,0,0,1,0,0|2,0,0]=3 5461 B14R1.7343 CSCC(=O)NC1CCCCCCC1 240690a_100000211152_100000184570 [0,0,0,1,0,0|2,0,0]=3 5462 B14R1.7343 CSCC(=O)NC1CCCCCCC1 527a_100000211152_100000184570 [0,0,0,1,0,0|2,0,0]=3 5463 B14R1.7343 CSCC(=O)NC1CCCCCCC1 62a_100000183010_200000210301 [0,0,0,1,0,0|2,0,0]=3 5464 B14R1.7343 CSCC(=O)NC1CCCCCCC1 62a_200000210301_100000183010 [0,0,0,1,0,0|2,0,0]=3 5465 B14R1.7343 N#CCC(=O)NC1CCCCCCC1 1626a_100000211152_100051588842 [0,0,0,1,0,0|2,0,1]=4 5466 B14R1.7343 N#CCC(=O)NC1CCCCCCC1 240690a_100000211152_100051588842 [0,0,0,1,0,0|2,0,1]=4 5467 B14R1.7343 O=C(CCO)NC1CCCCCCC1 240690a_100000211152_100011216618 [0,0,0,1,0,0|2,0,0]=3 5468 B14R1.7343 [13CH3]SCC(=O)NC1CCCCCCC1 62a_100000183010_200025704644 [0,0,0,1,0,0|2,0,0]=3 5469 B14R1.7343 [13CH3]SCC(=O)NC1CCCCCCC1 62a_200025704644_100000183010 [0,0,0,1,0,0|2,0,0]=3 5470 B14R1.9622 CC1(CCC1)OCCCCCCCO 34a_100000759064_100000760002 [0,0,0,1,0,0|2,0,1]=4 5471 B14R1.9622 CC1(CCC1)OCCCCCCCO 7a_100000759064_100000760002 [0,0,0,1,0,0|2,0,1]=4 5472 B14R1.9622 CCCCCCCCNC1(CCC1)C 2230a_100000692455_100000210759 [0,0,0,1,0,0|2,0,1]=4 5473 B14R1.9622 CCCCCCCCNC1(CCC1)C 34a_100000692455_100000210759 [0,0,0,1,0,0|2,0,1]=4 5474 B14R1.9622 CCCCCCCCOC1(CCC1)C 34a_100000759064_100000210759 [0,0,0,1,0,0|1,0,1]=3 5475 B14R1.9622 CCCCCCCCOC1(CCC1)C 7a_100000759064_100000210759 [0,0,0,1,0,0|1,0,1]=3 5476 B14R1.9622 CCCCCCCCOC1(CSC1)C 7a_100016018533_100000210759 [0,0,0,1,0,0|2,0,1]=4 5477 B14R1.9622 COCCCCCCOC1(CCC1)C 34a_100000759064_100011998445 [0,0,0,1,0,0|2,0,1]=4 5478 B14R1.9622 COCCCCCCOC1(CCC1)C 7a_100000759064_100011998445 [0,0,0,1,0,0|2,0,1]=4 5479 B11R0.3 C#CCCCCCCOCCC 34a_100000210258_100012276617 [2,0,0,0,0,0|0,0,2]=4 5480 B11R0.3 C#CCCCCCCOCCC 34a_100011217361_100000210303 [2,0,0,0,0,0|0,0,2]=4 5481 B11R0.3 C#CCCCCCCOCCC 7a_100011217361_100000210303 [2,0,0,0,0,0|0,0,2]=4 5482 B11R0.3 C#CCOCCCCCCCC 34a_100000210232_100000184674 [2,0,0,0,0,0|0,0,2]=4 5483 B11R0.3 C#CCOCCCCCCCC 34a_100000210247_100000210759 [2,0,0,0,0,0|0,0,2]=4 5484 B11R0.3 C#CCOCCCCCCCC 7a_100000210232_100000038162 [2,0,0,0,0,0|0,0,2]=4 5485 B11R0.3 C=CCCCCCCOCCC 34a_100000210258_100011215473 [2,0,0,0,0,0|0,0,2]=4 5486 B11R0.3 C=CCCCCCCOCCC 34a_200011216477_100000210303 [2,0,0,0,0,0|0,0,2]=4 5487 B11R0.3 C=CCCCCCCOCCC 7a_200011216477_100000210303 [2,0,0,0,0,0|0,0,2]=4 5488 B11R0.3 C=CCOCCCCCCCC 34a_100000210232_100015514636 [2,0,0,0,0,0|0,0,2]=4 5489 B11R0.3 C=CCOCCCCCCCC 34a_200000210373_100000210759 [2,0,0,0,0,0|0,0,2]=4 5490 B11R0.3 C=CCOCCCCCCCC 7a_100000210232_100015514636 [2,0,0,0,0,0|0,0,2]=4 5491 B11R0.3 CC/C=C/CCCOCCCC 34a_100016287902_100000210210 [2,0,0,0,0,0|1,0,1]=4 5492 B11R0.3 CC/C=C/CCCOCCCC 7a_100016287902_100000210211 [2,0,0,0,0,0|1,0,1]=4 5493 B11R0.3 CC/C=C\CCCCCNCC 269862a_100015525214_100016288537 [2,0,0,0,0,0|1,0,1]=4 5494 B11R0.3 CC/C=C\CCCCCOCC 34a_100016268722_100000210202 [2,0,0,0,0,0|1,0,1]=4 5495 B11R0.3 CC/C=C\CCCCCOCC 7a_100016268722_100000210202 [2,0,0,0,0,0|1,0,1]=4 5496 B11R0.3 CC/C=C\CCCCOCCC 34a_100016287862_100000210303 [2,0,0,0,0,0|0,0,2]=4 5497 B11R0.3 CC/C=C\CCCCOCCC 7a_100016287862_100000210303 [2,0,0,0,0,0|0,0,2]=4 5498 B11R0.3 CC/C=C\CCNCCCCC 2230a_100000209983_100015370543 [2,0,0,0,0,0|1,0,1]=4 5499 B11R0.3 CC/C=C\CCOCCCCC 34a_100000210253_100015370543 [2,0,0,0,0,0|1,0,1]=4 5500 B11R0.3 CC/C=C\CCOCCCCC 34a_100016288707_100000718602 [2,0,0,0,0,0|1,0,1]=4 5501 B11R0.3 CC/C=C\CCOCCCCC 7a_100000210253_100015370543 [2,0,0,0,0,0|1,0,1]=4 5502 B11R0.3 CC/C=C\CCOCCCCC 7a_100016288707_100000210326 [2,0,0,0,0,0|1,0,1]=4 5503 B11R0.3 CC/C=C\CCSCCCCC 62a_100000210326_100015370543 [2,0,0,0,0,0|1,0,1]=4 5504 B11R0.3 CC/C=C\CCSCCCCC 62a_100015370543_100000210326 [2,0,0,0,0,0|1,0,1]=4 5505 B11R0.3 CC/C=C\CNCCCCCC 2230a_100000210581_100103147603 [2,0,0,0,0,0|1,0,1]=4 5506 B11R0.3 CC/C=C\COCCCCCC 34a_100000210259_100103147603 [2,0,0,0,0,0|1,0,1]=4 5507 B11R0.3 CC/C=C\COCCCCCC 34a_100016268518_100000210314 [2,0,0,0,0,0|1,0,1]=4 5508 B11R0.3 CC/C=C\COCCCCCC 7a_100000210259_100103147603 [2,0,0,0,0,0|1,0,1]=4 5509 B11R0.3 CC/C=C\CSCCCCCC 62a_100000210314_100103147603 [2,0,0,0,0,0|1,0,1]=4 5510 B11R0.3 CC/C=C\CSCCCCCC 62a_100103147603_100000210757 [2,0,0,0,0,0|1,0,1]=4 5511 B11R0.3 CCC/C=C/COCCCCC 34a_100016278788_100000718602 [2,0,0,0,0,0|1,0,1]=4 5512 B11R0.3 CCC/C=C/COCCCCC 7a_100016278788_100000210326 [2,0,0,0,0,0|1,0,1]=4 5513 B11R0.3 CCCC/C=C\CCOCCC 34a_200016286491_100000210303 [2,0,0,0,0,0|0,0,2]=4 5514 B11R0.3 CCCC/C=C\CCOCCC 7a_200016286491_100000210303 [2,0,0,0,0,0|0,0,2]=4 5515 B11R0.3 CCCCC#CCCOCCC 34a_100000037610_100000210303 [2,0,0,0,0,0|0,0,2]=4 5516 B11R0.3 CCCCC#CCCOCCC 7a_100000037610_100000210303 [2,0,0,0,0,0|0,0,2]=4 5517 B11R0.3 CCCCC/C=C/COCCC 34a_100016258190_100000210303 [2,0,0,0,0,0|0,0,2]=4 5518 B11R0.3 CCCCC/C=C/COCCC 7a_100016258190_100000210303 [2,0,0,0,0,0|0,0,2]=4 5519 B11R0.3 CCCCCC#CCOCCC 34a_100000210258_100009816472 [2,0,0,0,0,0|0,0,2]=4 5520 B11R0.3 CCCCCC#CCOCCC 34a_200000033628_100000210303 [2,0,0,0,0,0|0,0,2]=4 5521 B11R0.3 CCCCCC#CCOCCC 7a_200000033628_100000210303 [2,0,0,0,0,0|0,0,2]=4 5522 B11R0.3 CCCCCCCCCCNC 2230a_100000684558_200000210301 [2,0,0,0,0,0|1,0,1]=4 5523 B11R0.3 CCCCCCCCCCNC 2230a_106832991635_100000210320 [2,0,0,0,0,0|1,0,1]=4 5524 B11R0.3 CCCCCCCCCCNC 34a_100000684558_200000210301 [2,0,0,0,0,0|1,0,1]=4 5525 B11R0.3 CCCCCCCCCCNC 34a_100102657272_100000210320 [2,0,0,0,0,0|1,0,1]=4 5526 B11R0.3 CCCCCCCCCCNC 7a_106832991635_100000210320 [2,0,0,0,0,0|1,0,1]=4 5527 B11R0.3 CCCCCCCCCCN[13CH3] 2230a_100000684558_200025704644 [2,0,0,0,0,0|1,0,1]=4 5528 B11R0.3 CCCCCCCCCCN[13CH3] 34a_100000684558_200025704644 [2,0,0,0,0,0|1,0,1]=4 5529 B11R0.3 CCCCCCCCCCOC 34a_100000210711_200000210301 [2,0,0,0,0,0|1,0,1]=4 5530 B11R0.3 CCCCCCCCCCOC 34a_100138415774_100000210320 [2,0,0,0,0,0|1,0,1]=4 5531 B11R0.3 CCCCCCCCCCOC 7a_100000210711_200000210301 [2,0,0,0,0,0|1,0,1]=4 5532 B11R0.3 CCCCCCCCCCO[13CH3] 34a_100000210711_200025704644 [2,0,0,0,0,0|1,0,1]=4 5533 B11R0.3 CCCCCCCCCCO[13CH3] 7a_100000210711_200025704644 [2,0,0,0,0,0|1,0,1]=4 5534 B11R0.3 CCCCCCCCCCSC 62a_200000210301_100000210320 [2,0,0,0,0,0|1,0,1]=4 5535 B11R0.3 CCCCCCCCCCS[13CH3] 62a_200025704644_100000210320 [2,0,0,0,0,0|1,0,1]=4 5536 B11R0.3 CCCCCCCCCNCC 2230a_100000212291_100000210202 [2,0,0,0,0,0|1,0,1]=4 5537 B11R0.3 CCCCCCCCCNCC 2230a_100015525214_100011214924 [2,0,0,0,0,0|1,0,1]=4 5538 B11R0.3 CCCCCCCCCNCC 34a_100000212291_100000210202 [2,0,0,0,0,0|1,0,1]=4 5539 B11R0.3 CCCCCCCCCOCC 34a_100000210712_100000210202 [2,0,0,0,0,0|1,0,1]=4 5540 B11R0.3 CCCCCCCCCOCC 34a_100121572206_100011214924 [2,0,0,0,0,0|1,0,1]=4 5541 B11R0.3 CCCCCCCCCOCC 7a_100000210712_100000210202 [2,0,0,0,0,0|1,0,1]=4 5542 B11R0.3 CCCCCCCCCSCC 62a_100000210202_100000210670 [2,0,0,0,0,0|1,0,1]=4 5543 B11R0.3 CCCCCCCCNCCC 2230a_100000229939_100000210303 [2,0,0,0,0,0|1,0,0]=3 5544 B11R0.3 CCCCCCCCNCCC 34a_100000229939_100000210303 [2,0,0,0,0,0|1,0,0]=3 5545 B11R0.3 CCCCCCCCNCCF 2230a_100000229939_100011217306 [2,0,0,0,0,0|2,0,0]=4 5546 B11R0.3 CCCCCCCCNCCF 34a_100000229939_100011217306 [2,0,0,0,0,0|2,0,0]=4 5547 B11R0.3 CCCCCCCCNCCF 34a_100000724931_100000210759 [2,0,0,0,0,0|2,0,0]=4 5548 B11R0.3 CCCCCCCCNCCO 2230a_100000229939_100000211926 [2,0,0,0,0,0|2,0,0]=4 5549 B11R0.3 CCCCCCCCNCCO 2230a_100016997473_100000210759 [2,0,0,0,0,0|2,0,0]=4 5550 B11R0.3 CCCCCCCCNCCO 34a_100000229939_100000211926 [2,0,0,0,0,0|2,0,0]=4 5551 B11R0.3 CCCCCCCCNCCO 34a_100016990907_100000210759 [2,0,0,0,0,0|2,0,0]=4 5552 B11R0.3 CCCCCCCCNCOC 2230a_100000229939_100000766300 [2,0,0,0,0,0|2,0,0]=4 5553 B11R0.3 CCCCCCCCNCSC 2230a_100000229939_100011218213 [2,0,0,0,0,0|2,0,0]=4 5554 B11R0.3 CCCCCCCCNCSC 34a_100000229939_100011218213 [2,0,0,0,0,0|2,0,0]=4 5555 B11R0.3 CCCCCCCCOCC#N 7a_100000210232_100011215382 [2,0,0,0,0,0|1,0,1]=4 5556 B11R0.3 CCCCCCCCOCC=O 34a_100000210232_200009817547 [2,0,0,0,0,0|1,0,1]=4 5557 B11R0.3 CCCCCCCCOCC=O 7a_100000210232_200015260668 [2,0,0,0,0,0|1,0,1]=4 5558 B11R0.3 CCCCCCCCOCCBr 34a_100000211926_100000210759 [2,0,0,0,0,0|1,0,0]=3 5559 B11R0.3 CCCCCCCCOCCC 34a_100000210232_100000210303 [2,0,0,0,0,0|0,0,0]=2 5560 B11R0.3 CCCCCCCCOCCC 34a_100000210258_100000210759 [2,0,0,0,0,0|0,0,0]=2 5561 B11R0.3 CCCCCCCCOCCC 7a_100000210232_100000210303 [2,0,0,0,0,0|0,0,0]=2 5562 B11R0.3 CCCCCCCCOCCF 34a_100000210232_100011217306 [2,0,0,0,0,0|1,0,0]=3 5563 B11R0.3 CCCCCCCCOCCF 7a_100000210232_100011217306 [2,0,0,0,0,0|1,0,0]=3 5564 B11R0.3 CCCCCCCCOCCN 34a_100000210304_100000210759 [2,0,0,0,0,0|1,0,0]=3 5565 B11R0.3 CCCCCCCCOCCO 34a_100000210232_100000211926 [2,0,0,0,0,0|1,0,0]=3 5566 B11R0.3 CCCCCCCCOCCO 7a_100000210232_100000211926 [2,0,0,0,0,0|1,0,0]=3 5567 B11R0.3 CCCCCCCCOCSC 34a_100000210232_100011218213 [2,0,0,0,0,0|1,0,0]=3 5568 B11R0.3 CCCCCCCCSCCC 62a_100000210303_100000210317 [2,0,0,0,0,0|0,1,0]=3 5569 B11R0.3 CCCCCCCCSCCC 62a_100000210759_100000210303 [2,0,0,0,0,0|0,1,0]=3 5570 B11R0.3 CCCCCCCCSCCF 62a_100000210759_100011217306 [2,0,0,0,0,0|1,1,0]=4 5571 B11R0.3 CCCCCCCCSCCF 62a_100011217306_100000210317 [2,0,0,0,0,0|1,1,0]=4 5572 B11R0.3 CCCCCCCCSCCO 62a_100000210759_100000211926 [2,0,0,0,0,0|1,1,0]=4 5573 B11R0.3 CCCCCCCCSCCO 62a_100000211926_100000210317 [2,0,0,0,0,0|1,1,0]=4 5574 B11R0.3 CCCCCCCCSCOC 62a_100000210759_100000766300 [2,0,0,0,0,0|1,1,0]=4 5575 B11R0.3 CCCCCCCCSCOC 62a_100000766300_100000210317 [2,0,0,0,0,0|1,1,0]=4 5576 B11R0.3 CCCCCCCCSCSC 62a_100000210759_100011218213 [2,0,0,0,0,0|1,1,0]=4 5577 B11R0.3 CCCCCCCCSCSC 62a_100011218213_100000210317 [2,0,0,0,0,0|1,1,0]=4 5578 B11R0.3 CCCCCCCNCCCC 2230a_100000102301_100000210681 [2,0,0,0,0,0|1,0,1]=4 5579 B11R0.3 CCCCCCCNCCCC 2230a_100000229938_100000210211 [2,0,0,0,0,0|1,0,1]=4 5580 B11R0.3 CCCCCCCNCCCC 7a_106832991798_100000210614 [2,0,0,0,0,0|1,0,1]=4 5581 B11R0.3 CCCCCCCOCCCBr 34a_100011217188_100000210614 [2,0,0,0,0,0|1,0,1]=4 5582 B11R0.3 CCCCCCCOCCCC 34a_100000210227_100000210614 [2,0,0,0,0,0|0,0,1]=3 5583 B11R0.3 CCCCCCCOCCCC 34a_100000210272_100000210210 [2,0,0,0,0,0|0,0,1]=3 5584 B11R0.3 CCCCCCCOCCCC 7a_100000210227_100000210614 [2,0,0,0,0,0|0,0,1]=3 5585 B11R0.3 CCCCCCCOCCCC 7a_100000210272_100000210211 [2,0,0,0,0,0|0,0,1]=3 5586 B11R0.3 CCCCCCCOCCCCl 34a_100000230001_100000210614 [2,0,0,0,0,0|1,0,1]=4 5587 B11R0.3 CCCCCCCOCCCF 34a_100000210272_100011934791 [2,0,0,0,0,0|1,0,1]=4 5588 B11R0.3 CCCCCCCOCCCF 34a_100000759539_100000210614 [2,0,0,0,0,0|1,0,1]=4 5589 B11R0.3 CCCCCCCOCCCF 7a_100000210272_100011934791 [2,0,0,0,0,0|1,0,1]=4 5590 B11R0.3 CCCCCCCOCCCN 34a_100000182051_100000210614 [2,0,0,0,0,0|1,0,1]=4 5591 B11R0.3 CCCCCCCOCCCO 34a_100000210272_100000230001 [2,0,0,0,0,0|1,0,1]=4 5592 B11R0.3 CCCCCCCOCCCO 7a_100000210272_100011215043 [2,0,0,0,0,0|1,0,1]=4 5593 B11R0.3 CCCCCCCOCCOC 34a_100000210237_100000210614 [2,0,0,0,0,0|1,0,1]=4 5594 B11R0.3 CCCCCCCOCCOC 34a_100000210272_100011201679 [2,0,0,0,0,0|1,0,1]=4 5595 B11R0.3 CCCCCCCOCCOC 7a_100000210272_100000233755 [2,0,0,0,0,0|1,0,1]=4 5596 B11R0.3 CCCCCCCOCCSC 34a_100000210272_100000212216 [2,0,0,0,0,0|1,0,1]=4 5597 B11R0.3 CCCCCCCOCCSC 34a_100000230434_100000210614 [2,0,0,0,0,0|1,0,1]=4 5598 B11R0.3 CCCCCCCOCCSC 7a_100000210272_100000212216 [2,0,0,0,0,0|1,0,1]=4 5599 B11R0.3 CCCCCCCOCCSC 7a_100000230434_100000210614 [2,0,0,0,0,0|1,0,1]=4 5600 B11R0.3 CCCCCCCSCCCC 62a_100000210211_100000210316 [2,0,0,0,0,0|0,1,1]=4 5601 B11R0.3 CCCCCCCSCCCC 62a_100000210614_100000210210 [2,0,0,0,0,0|0,1,1]=4 5602 B11R0.3 CCCCCCNCCCCC 2230a_100000209983_100000210314 [2,0,0,0,0,0|1,0,1]=4 5603 B11R0.3 CCCCCCNCCCCC 2230a_100000210581_100000210326 [2,0,0,0,0,0|1,0,1]=4 5604 B11R0.3 CCCCCCOCCCCC 34a_100000210253_100000210314 [2,0,0,0,0,0|1,0,1]=4 5605 B11R0.3 CCCCCCOCCCCC 34a_100000210259_100000718602 [2,0,0,0,0,0|1,0,1]=4 5606 B11R0.3 CCCCCCOCCCCC 7a_100000210253_100000210314 [2,0,0,0,0,0|1,0,1]=4 5607 B11R0.3 CCCCCCOCCCCC 7a_100000210259_100000210326 [2,0,0,0,0,0|1,0,1]=4 5608 B11R0.3 CCCCCCSCCCCC 62a_100000210314_100000210326 [2,0,0,0,0,0|1,0,1]=4 5609 B11R0.3 CCCCCCSCCCCC 62a_100000210326_100000210757 [2,0,0,0,0,0|1,0,1]=4 5610 B11R0.3 CCCCCNCCOCCC 2230a_100000209983_100011215938 [2,0,0,0,0,0|1,0,0]=3 5611 B11R0.3 CCCCCNCCOCCC 2230a_100161115042_100000210326 [2,0,0,0,0,0|1,0,0]=3 5612 B11R0.3 CCCCCNCCOCCC 34a_100000224656_100000210303 [2,0,0,0,0,0|1,0,0]=3 5613 B11R0.3 CCCCCNCCOCCC 34a_100161115042_100000718602 [2,0,0,0,0,0|1,0,0]=3 5614 B11R0.3 CCCCCNCCOCCF 34a_100000224656_100011217306 [2,0,0,0,0,0|2,0,0]=4 5615 B11R0.3 CCCCCNCCOCCO 2230a_100000209983_100011215305 [2,0,0,0,0,0|2,0,0]=4 5616 B11R0.3 CCCCCNCCOCCO 2230a_100000211614_100000210326 [2,0,0,0,0,0|2,0,0]=4 5617 B11R0.3 CCCCCNCCOCCO 34a_100000211614_100000718602 [2,0,0,0,0,0|2,0,0]=4 5618 B11R0.3 CCCCCNCCOCCO 34a_100000224656_100000211926 [2,0,0,0,0,0|2,0,0]=4 5619 B11R0.3 CCCCCNCCOCSC 34a_100000224656_100011218213 [2,0,0,0,0,0|2,0,0]=4 5620 B11R0.3 CCCCCNCCSCCC 2230a_100020603323_100000210326 [2,0,0,0,0,0|1,1,0]=4 5621 B11R0.3 CCCCCNCOCCCC 2230a_100000209983_100011995733 [2,0,0,0,0,0|1,0,1]=4 5622 B11R0.3 CCCCCOCCOCCBr 34a_100000692535_100000718602 [2,0,0,0,0,0|2,0,0]=4 5623 B11R0.3 CCCCCOCCOCCBr 7a_100000692535_100000210326 [2,0,0,0,0,0|2,0,0]=4 5624 B11R0.3 CCCCCOCCOCCC 34a_100000210253_100011215938 [2,0,0,0,0,0|1,0,0]=3 5625 B11R0.3 CCCCCOCCOCCC 34a_100000752267_100000718602 [2,0,0,0,0,0|1,0,0]=3 5626 B11R0.3 CCCCCOCCOCCC 34a_100011215259_100000210303 [2,0,0,0,0,0|1,0,0]=3 5627 B11R0.3 CCCCCOCCOCCC 7a_100000210253_100011215938 [2,0,0,0,0,0|1,0,0]=3 5628 B11R0.3 CCCCCOCCOCCC 7a_100000752267_100000210326 [2,0,0,0,0,0|1,0,0]=3 5629 B11R0.3 CCCCCOCCOCCC 7a_100011215259_100000210303 [2,0,0,0,0,0|1,0,0]=3 5630 B11R0.3 CCCCCOCCOCCCl 34a_100011215305_100000718602 [2,0,0,0,0,0|2,0,0]=4 5631 B11R0.3 CCCCCOCCOCCCl 7a_100011215305_100000210326 [2,0,0,0,0,0|2,0,0]=4 5632 B11R0.3 CCCCCOCCOCCF 34a_100011215259_100011217306 [2,0,0,0,0,0|2,0,0]=4 5633 B11R0.3 CCCCCOCCOCCF 34a_200015357709_100000718602 [2,0,0,0,0,0|2,0,0]=4 5634 B11R0.3 CCCCCOCCOCCF 7a_100011215259_100011217306 [2,0,0,0,0,0|2,0,0]=4 5635 B11R0.3 CCCCCOCCOCCF 7a_200015357709_100000210326 [2,0,0,0,0,0|2,0,0]=4 5636 B11R0.3 CCCCCOCCOCCI 34a_100012149058_100000718602 [2,0,0,0,0,0|2,0,0]=4 5637 B11R0.3 CCCCCOCCOCCI 7a_100012149058_100000210326 [2,0,0,0,0,0|2,0,0]=4 5638 B11R0.3 CCCCCOCCOCCN 34a_100000211614_100000718602 [2,0,0,0,0,0|2,0,0]=4 5639 B11R0.3 CCCCCOCCOCCO 34a_100000210253_100000692535 [2,0,0,0,0,0|2,0,0]=4 5640 B11R0.3 CCCCCOCCOCCO 34a_100011215259_100000211926 [2,0,0,0,0,0|2,0,0]=4 5641 B11R0.3 CCCCCOCCOCCO 7a_100000210253_100011215305 [2,0,0,0,0,0|2,0,0]=4 5642 B11R0.3 CCCCCOCCOCCO 7a_100011215259_100000211926 [2,0,0,0,0,0|2,0,0]=4 5643 B11R0.3 CCCCCOCCOCSC 34a_100011215259_100011218213 [2,0,0,0,0,0|2,0,0]=4 5644 B11R0.3 CCCCCOCCSCCC 34a_200000230433_100000718602 [2,0,0,0,0,0|1,1,0]=4 5645 B11R0.3 CCCCCOCCSCCC 7a_200000230433_100000210326 [2,0,0,0,0,0|1,1,0]=4 5646 B11R0.3 CCCCCOCOCCCC 34a_100000210253_100011995733 [2,0,0,0,0,0|1,0,1]=4 5647 B11R0.3 CCCCCSCCOCCC 62a_100000210326_100011215938 [2,0,0,0,0,0|1,0,0]=3 5648 B11R0.3 CCCCCSCCOCCC 62a_100011215938_100000210326 [2,0,0,0,0,0|1,0,0]=3 5649 B11R0.3 CCCCCSCCOCCO 62a_100000210326_100011215305 [2,0,0,0,0,0|2,0,0]=4 5650 B11R0.3 CCCCCSCCOCCO 62a_100011215305_100000210326 [2,0,0,0,0,0|2,0,0]=4 5651 B11R0.3 CCCCCSCOCCCC 62a_100000210326_100011995733 [2,0,0,0,0,0|1,0,1]=4 5652 B11R0.3 CCCCCSCOCCCC 62a_100011995733_100000210326 [2,0,0,0,0,0|1,0,1]=4 5653 B11R0.3 CCCCNCCCOCCC 2230a_100011217757_100000210211 [2,0,0,0,0,0|1,0,0]=3 5654 B11R0.3 CCCCNCCCOCCC 34a_100011217757_100000210210 [2,0,0,0,0,0|1,0,0]=3 5655 B11R0.3 CCCCNCCOCCCC 2230a_100000102301_100000743108 [2,0,0,0,0,0|1,0,1]=4 5656 B11R0.3 CCCCNCCOCCCC 7a_106832991798_100000743108 [2,0,0,0,0,0|1,0,1]=4 5657 B11R0.3 CCCCOCCCCCCBr 34a_100011215345_100000210210 [2,0,0,0,0,0|1,0,1]=4 5658 B11R0.3 CCCCOCCCCCCBr 7a_100011215345_100000210211 [2,0,0,0,0,0|1,0,1]=4 5659 B11R0.3 CCCCOCCCCCCCl 34a_100000766143_100000210210 [2,0,0,0,0,0|1,0,1]=4 5660 B11R0.3 CCCCOCCCCCCCl 7a_100000766143_100000210211 [2,0,0,0,0,0|1,0,1]=4 5661 B11R0.3 CCCCOCCCCCCF 34a_100000210227_100015922095 [2,0,0,0,0,0|1,0,1]=4 5662 B11R0.3 CCCCOCCCCCCF 34a_100000732779_100000210210 [2,0,0,0,0,0|1,0,1]=4 5663 B11R0.3 CCCCOCCCCCCF 7a_100000210227_100015922095 [2,0,0,0,0,0|1,0,1]=4 5664 B11R0.3 CCCCOCCCCCCF 7a_100000732779_100000210211 [2,0,0,0,0,0|1,0,1]=4 5665 B11R0.3 CCCCOCCCCCCN 34a_100000686447_100000210210 [2,0,0,0,0,0|1,0,1]=4 5666 B11R0.3 CCCCOCCCCCCO 34a_100000210227_100000766143 [2,0,0,0,0,0|1,0,1]=4 5667 B11R0.3 CCCCOCCCCCCO 7a_100000210227_100000766143 [2,0,0,0,0,0|1,0,1]=4 5668 B11R0.3 CCCCOCCCCCNC 34a_100000722520_100000210210 [2,0,0,0,0,0|1,0,1]=4 5669 B11R0.3 CCCCOCCCCOCC 34a_200000760531_100000210202 [2,0,0,0,0,0|1,0,1]=4 5670 B11R0.3 CCCCOCCCCOCC 7a_200000760531_100000210202 [2,0,0,0,0,0|1,0,1]=4 5671 B11R0.3 CCCCOCCCNCCC 2230a_200000211371_100000210303 [2,0,0,0,0,0|1,0,1]=4 5672 B11R0.3 CCCCOCCCNCCC 34a_200000211371_100000210303 [2,0,0,0,0,0|1,0,1]=4 5673 B11R0.3 CCCCOCCCOCCC 34a_200011215613_100000210303 [2,0,0,0,0,0|1,0,0]=3 5674 B11R0.3 CCCCOCCCOCCC 7a_200011215613_100000210303 [2,0,0,0,0,0|1,0,0]=3 5675 B11R0.3 CCCCOCCCOCCF 34a_200011215613_100011217306 [2,0,0,0,0,0|2,0,0]=4 5676 B11R0.3 CCCCOCCCOCCF 7a_200011215613_100011217306 [2,0,0,0,0,0|2,0,0]=4 5677 B11R0.3 CCCCOCCCOCCO 34a_200011215613_100000211926 [2,0,0,0,0,0|2,0,0]=4 5678 B11R0.3 CCCCOCCCOCCO 7a_200011215613_100000211926 [2,0,0,0,0,0|2,0,0]=4 5679 B11R0.3 CCCCOCCCOCSC 34a_200011215613_100011218213 [2,0,0,0,0,0|2,0,0]=4 5680 B11R0.3 CCCCOCCOCCCC 34a_100000210227_100000743108 [2,0,0,0,0,0|1,0,1]=4 5681 B11R0.3 CCCCOCCOCCCC 34a_100000210238_100000210210 [2,0,0,0,0,0|1,0,1]=4 5682 B11R0.3 CCCCOCCOCCCC 7a_100000210227_100000743108 [2,0,0,0,0,0|1,0,1]=4 5683 B11R0.3 CCCCOCCOCCCC 7a_100000210238_100000210211 [2,0,0,0,0,0|1,0,1]=4 5684 B11R0.3 CCCCOCCSCCCC 34a_200000230436_100000210210 [2,0,0,0,0,0|1,0,1]=4 5685 B11R0.3 CCCCOCCSCCCC 62a_100000210211_100000743108 [2,0,0,0,0,0|1,0,1]=4 5686 B11R0.3 CCCCOCCSCCCC 62a_100000743108_100000210210 [2,0,0,0,0,0|1,0,1]=4 5687 B11R0.3 CCCCOCCSCCCC 7a_200000230436_100000210211 [2,0,0,0,0,0|1,0,1]=4 5688 B11R0.3 CCCNCCCCCCCO 2230a_100011996573_100000210303 [2,0,0,0,0,0|2,0,0]=4 5689 B11R0.3 CCCNCCCCCCCO 34a_100011996573_100000210303 [2,0,0,0,0,0|2,0,0]=4 5690 B11R0.3 CCCOCCCCCCCBr 34a_100000760002_100000210303 [2,0,0,0,0,0|1,0,0]=3 5691 B11R0.3 CCCOCCCCCCCBr 7a_100000760002_100000210303 [2,0,0,0,0,0|1,0,0]=3 5692 B11R0.3 CCCOCCCCCCCN 34a_100011996573_100000210303 [2,0,0,0,0,0|1,0,0]=3 5693 B11R0.3 CCCOCCCCCCCO 34a_100000210258_100000760002 [2,0,0,0,0,0|1,0,0]=3 5694 B11R0.3 CCCOCCCCCCOC 34a_100000210258_100011998445 [2,0,0,0,0,0|1,0,0]=3 5695 B11R0.3 CCCOCCCCCCOC 34a_200012092642_100000210303 [2,0,0,0,0,0|1,0,0]=3 5696 B11R0.3 CCCOCCCCCCOC 7a_200012092642_100000210303 [2,0,0,0,0,0|1,0,0]=3 5697 B11R0.3 CCCOCCCNCCCF 2230a_100011217757_100011934791 [2,0,0,0,0,0|2,0,0]=4 5698 B11R0.3 CCCOCCCNCCCF 34a_100011217757_100011934791 [2,0,0,0,0,0|2,0,0]=4 5699 B11R0.3 CCCOCCCNCCCO 2230a_100011217757_100000230001 [2,0,0,0,0,0|2,0,0]=4 5700 B11R0.3 CCCOCCCNCCCO 34a_100011217757_100000230001 [2,0,0,0,0,0|2,0,0]=4 5701 B11R0.3 CCCOCCCNCCOC 2230a_100011217757_100011201679 [2,0,0,0,0,0|2,0,0]=4 5702 B11R0.3 CCCOCCCNCCOC 34a_100011217757_100011201679 [2,0,0,0,0,0|2,0,0]=4 5703 B11R0.3 CCCOCCCNCCSC 2230a_100011217757_100000751147 [2,0,0,0,0,0|2,0,0]=4 5704 B11R0.3 CCCOCCCNCCSC 34a_100011217757_100000212216 [2,0,0,0,0,0|2,0,0]=4 5705 B11R0.3 CCCOCCCOCCCN 34a_100011310245_100000210303 [2,0,0,0,0,0|2,0,0]=4 5706 B11R0.3 CCCOCCCOCCOC 34a_100000210258_100011216529 [2,0,0,0,0,0|2,0,0]=4 5707 B11R0.3 CCCOCCNCCCCF 2230a_100161115042_100000729493 [2,0,0,0,0,0|2,0,0]=4 5708 B11R0.3 CCCOCCNCCCCF 34a_100161115042_100000729493 [2,0,0,0,0,0|2,0,0]=4 5709 B11R0.3 CCCOCCNCCCCO 2230a_100000750430_100011215938 [2,0,0,0,0,0|2,0,0]=4 5710 B11R0.3 CCCOCCNCCCCO 2230a_100161115042_100000210776 [2,0,0,0,0,0|2,0,0]=4 5711 B11R0.3 CCCOCCNCCCCO 34a_100000750430_100011215938 [2,0,0,0,0,0|2,0,0]=4 5712 B11R0.3 CCCOCCNCCCCO 34a_100161115042_100011216708 [2,0,0,0,0,0|2,0,0]=4 5713 B11R0.3 CCCOCCNCCCOC 2230a_100161115042_100000740836 [2,0,0,0,0,0|2,0,0]=4 5714 B11R0.3 CCCOCCNCCCOC 34a_100150723488_100011215938 [2,0,0,0,0,0|2,0,0]=4 5715 B11R0.3 CCCOCCNCCCOC 34a_100161115042_100000740836 [2,0,0,0,0,0|2,0,0]=4 5716 B11R0.3 CCCOCCNCCCSC 2230a_100000749238_100011215938 [2,0,0,0,0,0|2,0,0]=4 5717 B11R0.3 CCCOCCNCCOCC 2230a_100161115042_100011215890 [2,0,0,0,0,0|2,0,0]=4 5718 B11R0.3 CCCOCCNCCOCC 2230a_102516460346_100011215938 [2,0,0,0,0,0|2,0,0]=4 5719 B11R0.3 CCCOCCNCCOCC 34a_100161115042_100000210147 [2,0,0,0,0,0|2,0,0]=4 5720 B11R0.3 CCCOCCNCCOCC 34a_102516460346_100011215938 [2,0,0,0,0,0|2,0,0]=4 5721 B11R0.3 CCCOCCNCCSCC 2230a_100000106463_100011215938 [2,0,0,0,0,0|2,0,0]=4 5722 B11R0.3 CCCOCCNCCSCC 2230a_100161115042_100000757381 [2,0,0,0,0,0|2,0,0]=4 5723 B11R0.3 CCCOCCNCCSCC 34a_100161115042_100000757381 [2,0,0,0,0,0|2,0,0]=4 5724 B11R0.3 CCCOCCOCCCCBr 34a_100011216708_100011215938 [2,0,0,0,0,0|2,0,0]=4 5725 B11R0.3 CCCOCCOCCCCCl 34a_100000210776_100011215938 [2,0,0,0,0,0|2,0,0]=4 5726 B11R0.3 CCCOCCOCCCCCl 7a_100000210776_100011215938 [2,0,0,0,0,0|2,0,0]=4 5727 B11R0.3 CCCOCCOCCCCF 34a_100000752267_100000729493 [2,0,0,0,0,0|2,0,0]=4 5728 B11R0.3 CCCOCCOCCCCF 34a_100011995726_100011215938 [2,0,0,0,0,0|2,0,0]=4 5729 B11R0.3 CCCOCCOCCCCF 7a_100000752267_100000729493 [2,0,0,0,0,0|2,0,0]=4 5730 B11R0.3 CCCOCCOCCCCF 7a_100011995726_100011215938 [2,0,0,0,0,0|2,0,0]=4 5731 B11R0.3 CCCOCCOCCCCI 34a_200012148704_100011215938 [2,0,0,0,0,0|2,0,0]=4 5732 B11R0.3 CCCOCCOCCCCN 34a_100000750430_100011215938 [2,0,0,0,0,0|2,0,0]=4 5733 B11R0.3 CCCOCCOCCCCO 34a_100000752267_100011216708 [2,0,0,0,0,0|2,0,0]=4 5734 B11R0.3 CCCOCCOCCCCO 7a_100000752267_100000210776 [2,0,0,0,0,0|2,0,0]=4 5735 B11R0.3 CCCOCCOCCCNC 34a_100000213112_100011215938 [2,0,0,0,0,0|2,0,0]=4 5736 B11R0.3 CCCOCCOCCCOC 34a_100000740835_100011215938 [2,0,0,0,0,0|2,0,0]=4 5737 B11R0.3 CCCOCCOCCCOC 34a_100000752267_100000740836 [2,0,0,0,0,0|2,0,0]=4 5738 B11R0.3 CCCOCCOCCCOC 7a_100000752267_100000740836 [2,0,0,0,0,0|2,0,0]=4 5739 B11R0.3 CCCOCCOCCCSC 34a_100000690336_100011215938 [2,0,0,0,0,0|2,0,0]=4 5740 B11R0.3 CCCOCCOCCCSC 7a_100000690336_100011215938 [2,0,0,0,0,0|2,0,0]=4 5741 B11R0.3 CCCOCCOCCNCC 2230a_200011904461_100000210202 [2,0,0,0,0,0|2,0,0]=4 5742 B11R0.3 CCCOCCOCCNCC 34a_200011904461_100000210202 [2,0,0,0,0,0|2,0,0]=4 5743 B11R0.3 CCCOCCOCCOCC 34a_100000210136_100011215938 [2,0,0,0,0,0|2,0,0]=4 5744 B11R0.3 CCCOCCOCCOCC 34a_100000210240_100000210303 [2,0,0,0,0,0|2,0,0]=4 5745 B11R0.3 CCCOCCOCCOCC 34a_100000210258_100011211534 [2,0,0,0,0,0|2,0,0]=4 5746 B11R0.3 CCCOCCOCCOCC 34a_100000752267_100000210147 [2,0,0,0,0,0|2,0,0]=4 5747 B11R0.3 CCCOCCOCCOCC 7a_100000210136_100011215938 [2,0,0,0,0,0|2,0,0]=4 5748 B11R0.3 CCCOCCOCCOCC 7a_100000210240_100000210303 [2,0,0,0,0,0|2,0,0]=4 5749 B11R0.3 CCCOCCOCCOCC 7a_100000752267_100011215890 [2,0,0,0,0,0|2,0,0]=4 5750 B11R0.3 CCCOCCOCCSCC 34a_100000212035_100011215938 [2,0,0,0,0,0|2,0,0]=4 5751 B11R0.3 CCCOCCOCCSCC 34a_100000752267_100000757381 [2,0,0,0,0,0|2,0,0]=4 5752 B11R0.3 CCCOCCOCCSCC 7a_100000212035_100011215938 [2,0,0,0,0,0|2,0,0]=4 5753 B11R0.3 CCCOCCOCCSCC 7a_100000752267_100000757381 [2,0,0,0,0,0|2,0,0]=4 5754 B11R0.3 CCCOCCSCCCCF 62a_100000729493_100011215938 [2,0,0,0,0,0|2,0,0]=4 5755 B11R0.3 CCCOCCSCCCCF 62a_100011215938_100000729493 [2,0,0,0,0,0|2,0,0]=4 5756 B11R0.3 CCCOCCSCCCCO 62a_100000210776_100011215938 [2,0,0,0,0,0|2,0,0]=4 5757 B11R0.3 CCCOCCSCCCCO 62a_100011215938_100000210776 [2,0,0,0,0,0|2,0,0]=4 5758 B11R0.3 CCCOCCSCCCOC 62a_100000709357_100011215938 [2,0,0,0,0,0|2,0,0]=4 5759 B11R0.3 CCCOCCSCCCOC 62a_100011215938_100000709357 [2,0,0,0,0,0|2,0,0]=4 5760 B11R0.3 CCCOCCSCCOCC 62a_100000210147_100011215938 [2,0,0,0,0,0|2,0,0]=4 5761 B11R0.3 CCCOCCSCCOCC 62a_100011215938_100011215890 [2,0,0,0,0,0|2,0,0]=4 5762 B11R0.3 CCCOCCSCCSCC 62a_100000757381_100011215938 [2,0,0,0,0,0|2,0,0]=4 5763 B11R0.3 CCCOCCSCCSCC 62a_100011215938_100000757381 [2,0,0,0,0,0|2,0,0]=4 5764 B11R0.3 CCCSCCCCCCCO 62a_100000210303_100000760002 [2,0,0,0,0,0|1,1,0]=4 5765 B11R0.3 CCCSCCCCCCCO 62a_100000760002_100000210303 [2,0,0,0,0,0|1,1,0]=4 5766 B11R0.3 CCCSCCCCCCOC 62a_100000210303_100011998445 [2,0,0,0,0,0|1,1,0]=4 5767 B11R0.3 CCCSCCCCCCOC 62a_100011998445_100000210303 [2,0,0,0,0,0|1,1,0]=4 5768 B11R0.3 COCCCCCCOCCBr 34a_100000211926_100011998445 [2,0,0,0,0,0|2,0,0]=4 5769 B11R0.3 COCCCCCCOCCF 34a_200012092642_100011217306 [2,0,0,0,0,0|2,0,0]=4 5770 B11R0.3 COCCCCCCOCCF 7a_200012092642_100011217306 [2,0,0,0,0,0|2,0,0]=4 5771 B11R0.3 COCCCCCCOCCN 34a_100000210304_100011998445 [2,0,0,0,0,0|2,0,0]=4 5772 B11R0.3 COCCCCCCOCCO 34a_200012092642_100000211926 [2,0,0,0,0,0|2,0,0]=4 5773 B11R0.3 COCCCCCCOCCO 7a_200012092642_100000211926 [2,0,0,0,0,0|2,0,0]=4 5774 B11R0.3 COCCCCCCOCSC 34a_200012092642_100011218213 [2,0,0,0,0,0|2,0,0]=4 5775 B11R0.3 CSCOCCCCCCCBr 34a_100000760002_100011218213 [2,0,0,0,0,0|2,0,0]=4 5776 B11R0.3 CSCOCCCCCCCN 34a_100011996573_100011218213 [2,0,0,0,0,0|2,0,0]=4 5777 B11R0.3 FCCOCCCCCCCBr 34a_100000760002_100011217306 [2,0,0,0,0,0|2,0,0]=4 5778 B11R0.3 FCCOCCCCCCCBr 7a_100000760002_100011217306 [2,0,0,0,0,0|2,0,0]=4 5779 B11R0.3 NCCCCCCCOCCF 34a_100011996573_100011217306 [2,0,0,0,0,0|2,0,0]=4 5780 B11R0.3 NCCCCCCCOCCO 34a_100011996573_100000211926 [2,0,0,0,0,0|2,0,0]=4 5781 B11R0.3 NCCOCCCCCCCO 34a_100000210304_100000760002 [2,0,0,0,0,0|2,0,0]=4 5782 B11R0.3 OCCCCCCCOCCBr 34a_100000211926_100000760002 [2,0,0,0,0,0|2,0,0]=4 5783 B11R0.3 OCCOCCCCCCCBr 34a_100000760002_100000211926 [2,0,0,0,0,0|2,0,0]=4 5784 B11R0.3 OCCOCCCCCCCBr 7a_100000760002_100000211926 [2,0,0,0,0,0|2,0,0]=4 5785 B11R0.4 C#CCC(=O)CCCCCCC 1458a_100000211969_100000184674 [2,0,0,0,0,0|0,0,2]=4 5786 B11R0.4 C#CCC(=O)CCCCCCC 1458a_100011220946_100000210614 [2,0,0,0,0,0|0,0,2]=4 5787 B11R0.4 C#CCCCCCC(=O)CCC 1458a_100000211992_100012094781 [2,0,0,0,0,0|0,0,2]=4 5788 B11R0.4 C#CCCCCCC(=O)CCC 1458a_100000694772_100000210303 [2,0,0,0,0,0|0,0,2]=4 5789 B11R0.4 C=CCC(=O)CCCCCCC 1458a_100000210193_100000210614 [2,0,0,0,0,0|0,0,2]=4 5790 B11R0.4 C=CCC(=O)CCCCCCC 1458a_100000211969_100000210623 [2,0,0,0,0,0|0,0,2]=4 5791 B11R0.4 C=CCCCCCC(=O)CCC 1458a_100000211992_100000700193 [2,0,0,0,0,0|0,0,2]=4 5792 B11R0.4 C=CCCCCCC(=O)CCC 1458a_100011934241_100000210303 [2,0,0,0,0,0|0,0,2]=4 5793 B11R0.4 CC#CC(=O)CCCCCCC 1458a_100000763181_100000210614 [2,0,0,0,0,0|0,0,2]=4 5794 B11R0.4 CC=CC(=O)CCCCCCC 1458a_100000210699_100000210614 [2,0,0,0,0,0|0,0,2]=4 5795 B11R0.4 CCCC(=O)CCCCCC#N 1458a_100000211992_100009813376 [2,0,0,0,0,0|1,0,1]=4 5796 B11R0.4 CCCC(=O)CCCCCCF 1458a_100000211992_100015922095 [2,0,0,0,0,0|1,0,0]=3 5797 B11R0.4 CCCC(=O)CCCCCCO 1458a_100000211992_100000766143 [2,0,0,0,0,0|1,0,0]=3 5798 B11R0.4 CCCC(=O)CCCCCCO 1458a_100011996774_100000210303 [2,0,0,0,0,0|1,0,0]=3 5799 B11R0.4 CCCC(=O)CCCCCOC 1458a_100011935119_100000210303 [2,0,0,0,0,0|1,0,0]=3 5800 B11R0.4 CCCC(=O)CCOCCOC 1458a_100000211992_100000695917 [2,0,0,0,0,0|2,0,0]=4 5801 B11R0.4 CCCC(=O)CCOCCOC 1458a_100000745395_100000210303 [2,0,0,0,0,0|2,0,0]=4 5802 B11R0.4 CCCC(=O)CNCCCCO 2230a_100000750430_100000747444 [2,0,0,0,0,0|2,0,0]=4 5803 B11R0.4 CCCC(=O)CNCCCSC 2230a_100000749238_100000747444 [2,0,0,0,0,0|2,0,0]=4 5804 B11R0.4 CCCC(=O)CNCCOCC 2230a_102516460346_100000747444 [2,0,0,0,0,0|2,0,0]=4 5805 B11R0.4 CCCC(=O)CNCCSCC 2230a_100000106463_100000747444 [2,0,0,0,0,0|2,0,0]=4 5806 B11R0.4 CCCC(=O)COCCCCCl 7a_100000210776_100000747444 [2,0,0,0,0,0|2,0,0]=4 5807 B11R0.4 CCCC(=O)COCCCCF 7a_100011995726_100000747444 [2,0,0,0,0,0|2,0,0]=4 5808 B11R0.4 CCCC(=O)COCCCSC 7a_100000690336_100000747444 [2,0,0,0,0,0|2,0,0]=4 5809 B11R0.4 CCCC(=O)COCCOCC 7a_100000210136_100000747444 [2,0,0,0,0,0|2,0,0]=4 5810 B11R0.4 CCCC(=O)COCCSCC 7a_100000212035_100000747444 [2,0,0,0,0,0|2,0,0]=4 5811 B11R0.4 CCCC(=O)CSCCCCF 62a_100000729493_100000747444 [2,0,0,0,0,0|2,0,0]=4 5812 B11R0.4 CCCC(=O)CSCCCCF 62a_100000747444_100000729493 [2,0,0,0,0,0|2,0,0]=4 5813 B11R0.4 CCCC(=O)CSCCCCO 62a_100000210776_100000747444 [2,0,0,0,0,0|2,0,0]=4 5814 B11R0.4 CCCC(=O)CSCCCCO 62a_100000747444_100000210776 [2,0,0,0,0,0|2,0,0]=4 5815 B11R0.4 CCCC(=O)CSCCCOC 62a_100000709357_100000747444 [2,0,0,0,0,0|2,0,0]=4 5816 B11R0.4 CCCC(=O)CSCCCOC 62a_100000747444_100000709357 [2,0,0,0,0,0|2,0,0]=4 5817 B11R0.4 CCCC(=O)CSCCOCC 62a_100000210147_100000747444 [2,0,0,0,0,0|2,0,0]=4 5818 B11R0.4 CCCC(=O)CSCCOCC 62a_100000747444_100011215890 [2,0,0,0,0,0|2,0,0]=4 5819 B11R0.4 CCCC(=O)CSCCSCC 62a_100000747444_100000757381 [2,0,0,0,0,0|2,0,0]=4 5820 B11R0.4 CCCC(=O)CSCCSCC 62a_100000757381_100000747444 [2,0,0,0,0,0|2,0,0]=4 5821 B11R0.4 CCCC(=O)NCCCCCO 240690a_100000762737_100000211992 [2,0,0,0,0,0|2,0,0]=4 5822 B11R0.4 CCCC(=O)NCCCOCC 11a_100000210961_100000211992 [2,0,0,0,0,0|2,0,0]=4 5823 B11R0.4 CCCC(=O)NCCCOCC 1626a_100000210961_100000211992 [2,0,0,0,0,0|2,0,0]=4 5824 B11R0.4 CCCC(=O)NCCCOCC 240690a_100000210961_100000211992 [2,0,0,0,0,0|2,0,0]=4 5825 B11R0.4 CCCC(=O)NCCCOCC 527a_100000210961_100000211992 [2,0,0,0,0,0|2,0,0]=4 5826 B11R0.4 CCCC(=O)OCNCCCF 2230a_100015189416_100000034017 [2,0,0,0,0,0|2,0,0]=4 5827 B11R0.4 CCCC(=O)OCNCCCF 34a_100015189416_100000034017 [2,0,0,0,0,0|2,0,0]=4 5828 B11R0.4 CCCC(=O)OCNCCOC 2230a_100000209980_100000034017 [2,0,0,0,0,0|2,0,0]=4 5829 B11R0.4 CCCC(=O)OCNCCSC 2230a_100020590264_100000034017 [2,0,0,0,0,0|2,0,0]=4 5830 B11R0.4 CCCC(=O)OCOCCCBr 34a_100011217188_100000034017 [2,0,0,0,0,0|2,0,0]=4 5831 B11R0.4 CCCC(=O)OCOCCCCl 34a_100000230001_100000034017 [2,0,0,0,0,0|2,0,0]=4 5832 B11R0.4 CCCC(=O)OCOCCCF 34a_100000759539_100000034017 [2,0,0,0,0,0|2,0,0]=4 5833 B11R0.4 CCCC(=O)OCOCCCN 34a_100000182051_100000034017 [2,0,0,0,0,0|2,0,0]=4 5834 B11R0.4 CCCC(=O)OCOCCOC 34a_100000210237_100000034017 [2,0,0,0,0,0|2,0,0]=4 5835 B11R0.4 CCCC(=O)OCOCCSC 34a_100000230434_100000034017 [2,0,0,0,0,0|2,0,0]=4 5836 B11R0.4 CCCC(=O)OCSCCCF 62a_100011934791_100000034017 [2,0,0,0,0,0|2,0,0]=4 5837 B11R0.4 CCCC(=O)OCSCCCO 62a_100011215043_100000034017 [2,0,0,0,0,0|2,0,0]=4 5838 B11R0.4 CCCC(=O)OCSCCOC 62a_100000233755_100000034017 [2,0,0,0,0,0|2,0,0]=4 5839 B11R0.4 CCCC(=O)OCSCCSC 62a_100000212216_100000034017 [2,0,0,0,0,0|2,0,0]=4 5840 B11R0.4 CCCC(=O)OCSCOCC 62a_100000739092_100000034017 [2,0,0,0,0,0|2,0,0]=4 5841 B11R0.4 CCCC/C=C/CC(=O)CCC 1458a_200016282684_100000210303 [2,0,0,0,0,0|0,0,2]=4 5842 B11R0.4 CCCCCC#CC(=O)CCC 1458a_100011215388_100000210303 [2,0,0,0,0,0|0,0,2]=4 5843 B11R0.4 CCCCCC=CC(=O)CCC 1458a_100016263427_100000210303 [2,0,0,0,0,0|0,0,2]=4 5844 B11R0.4 CCCCCCCC(=O)CC#N 1458a_100000211969_100011214920 [2,0,0,0,0,0|1,0,1]=4 5845 B11R0.4 CCCCCCCC(=O)CC#N 1458a_100051588842_100000210614 [2,0,0,0,0,0|1,0,1]=4 5846 B11R0.4 CCCCCCCC(=O)CCC 1458a_100000211969_100000210303 [2,0,0,0,0,0|0,0,0]=2 5847 B11R0.4 CCCCCCCC(=O)CCC 1458a_100000211992_100000210614 [2,0,0,0,0,0|0,0,0]=2 5848 B11R0.4 CCCCCCCC(=O)CCF 1458a_100000211969_100011217306 [2,0,0,0,0,0|1,0,0]=3 5849 B11R0.4 CCCCCCCC(=O)CCO 1458a_100000211969_100000211926 [2,0,0,0,0,0|1,0,0]=3 5850 B11R0.4 CCCCCCCC(=O)CCO 1458a_100011216618_100000210614 [2,0,0,0,0,0|1,0,0]=3 5851 B11R0.4 CCCCCCCC(=O)COC 1458a_100000210968_100000210614 [2,0,0,0,0,0|1,0,0]=3 5852 B11R0.4 CCCCCCCC(=O)CSC 1458a_100000184570_100000210614 [2,0,0,0,0,0|1,0,0]=3 5853 B11R0.4 CCCCCCCC(=O)NCC 11a_100015525214_100000211969 [2,0,0,0,0,0|1,0,0]=3 5854 B11R0.4 CCCCCCCC(=O)NCC 240690a_100015525214_100000211969 [2,0,0,0,0,0|1,0,0]=3 5855 B11R0.4 CCCCCCCC(=O)NCC 527a_100015525214_100000211969 [2,0,0,0,0,0|1,0,0]=3 5856 B11R0.4 CCCCCCCC(=O)NNC 22a_100016993582_100000211969 [2,0,0,0,0,0|2,0,0]=4 5857 B11R0.4 CCCCCCCN(C)CCC 2230a_100000228206_100000210303 [2,0,0,0,0,0|2,0,0]=4 5858 B11R0.4 CCCCCCCN(C)CCC 2230a_100000747261_100000210681 [2,0,0,0,0,0|2,0,0]=4 5859 B11R0.4 CCCCCCCN(C)CCC 269982a_100000228206_100000210303 [2,0,0,0,0,0|2,0,0]=4 5860 B11R0.4 CCCCCCCN(C)CCC 269982a_100000747261_100000210681 [2,0,0,0,0,0|2,0,0]=4 5861 B11R0.4 CCCCCCNC(=O)CCC 11a_100000210581_100000211992 [2,0,0,0,0,0|1,0,0]=3 5862 B11R0.4 CCCCCCNC(=O)CCC 1626a_100000210581_100000211992 [2,0,0,0,0,0|1,0,0]=3 5863 B11R0.4 CCCCCCNC(=O)CCC 240690a_100000210581_100000211992 [2,0,0,0,0,0|1,0,0]=3 5864 B11R0.4 CCCCCCNC(=O)CCC 527a_100000210581_100000211992 [2,0,0,0,0,0|1,0,0]=3 5865 B11R0.4 CCCCCCNC(=O)CCO 240690a_100000210581_100011216618 [2,0,0,0,0,0|2,0,0]=4 5866 B11R0.4 CCCCCCNC(=O)CNC 2230a_106832991635_100000230325 [2,0,0,0,0,0|2,0,0]=4 5867 B11R0.4 CCCCCCNC(=O)CNC 34a_100102657272_100000230325 [2,0,0,0,0,0|2,0,0]=4 5868 B11R0.4 CCCCCCNC(=O)CNC 7a_106832991635_100000230325 [2,0,0,0,0,0|2,0,0]=4 5869 B11R0.4 CCCCCCNC(=O)COC 11a_100000210581_100000210968 [2,0,0,0,0,0|2,0,0]=4 5870 B11R0.4 CCCCCCNC(=O)COC 1626a_100000210581_100000210968 [2,0,0,0,0,0|2,0,0]=4 5871 B11R0.4 CCCCCCNC(=O)COC 240690a_100000210581_100000210968 [2,0,0,0,0,0|2,0,0]=4 5872 B11R0.4 CCCCCCNC(=O)COC 34a_100138415774_100000230325 [2,0,0,0,0,0|2,0,0]=4 5873 B11R0.4 CCCCCCNC(=O)COC 527a_100000210581_100000210968 [2,0,0,0,0,0|2,0,0]=4 5874 B11R0.4 CCCCCCNC(=O)CSC 11a_100000210581_100000184570 [2,0,0,0,0,0|2,0,0]=4 5875 B11R0.4 CCCCCCNC(=O)CSC 1626a_100000210581_100000184570 [2,0,0,0,0,0|2,0,0]=4 5876 B11R0.4 CCCCCCNC(=O)CSC 240690a_100000210581_100000184570 [2,0,0,0,0,0|2,0,0]=4 5877 B11R0.4 CCCCCCNC(=O)CSC 527a_100000210581_100000184570 [2,0,0,0,0,0|2,0,0]=4 5878 B11R0.4 CCCCCCNC(=O)CSC 62a_100000230325_200000210301 [2,0,0,0,0,0|2,0,0]=4 5879 B11R0.4 CCCCCCNC(=O)CS[13CH3] 62a_100000230325_200025704644 [2,0,0,0,0,0|2,0,0]=4 5880 B11R0.4 CCCCCCNC(=O)NCC 2708a_100000210581_100015525214 [2,0,0,0,0,0|2,0,0]=4 5881 B11R0.4 CCCCCCNC(=O)NCC 2708a_100015525214_100000210581 [2,0,0,0,0,0|2,0,0]=4 5882 B11R0.4 CCCCCCNC(=O)NCC 273464a_100000210581_100015525214 [2,0,0,0,0,0|2,0,0]=4 5883 B11R0.4 CCCCCCNC(=O)NCC 273464a_100015525214_100000210581 [2,0,0,0,0,0|2,0,0]=4 5884 B11R0.4 CCCCCCNC(=O)NCC 512a_100000210581_100015525214 [2,0,0,0,0,0|2,0,0]=4 5885 B11R0.4 CCCCCCNC(=O)NCC 512a_100015525214_100000210581 [2,0,0,0,0,0|2,0,0]=4 5886 B11R0.4 CCCCCCOC(C)CCC 34a_100000210259_100000766640 [2,0,0,0,0,0|1,0,1]=4 5887 B11R0.4 CCCCCCOC(C)CCC 34a_100000764384_100000210314 [2,0,0,0,0,0|1,0,1]=4 5888 B11R0.4 CCCCCCOC(C)CCC 7a_100000210259_100000766640 [2,0,0,0,0,0|1,0,1]=4 5889 B11R0.4 CCCCCCOC(C)CCC 7a_100000764384_100000210314 [2,0,0,0,0,0|1,0,1]=4 5890 B11R0.4 CCCCCNCC(=O)CCC 2230a_100000209983_100000747444 [2,0,0,0,0,0|1,0,0]=3 5891 B11R0.4 CCCCCNCC(=O)NCC 2230a_100000209983_100000183381 [2,0,0,0,0,0|2,0,0]=4 5892 B11R0.4 CCCCCNCC(=O)NCC 2230a_100016988866_100000210326 [2,0,0,0,0,0|2,0,0]=4 5893 B11R0.4 CCCCCNCC(=O)OCC 2230a_100000209983_100000188475 [2,0,0,0,0,0|2,0,0]=4 5894 B11R0.4 CCCCCNNC(=O)CCC 22a_100000694160_100000211992 [2,0,0,0,0,0|2,0,0]=4 5895 B11R0.4 CCCCCOCC(=O)CCC 7a_100000210253_100000747444 [2,0,0,0,0,0|1,0,0]=3 5896 B11R0.4 CCCCCOCC(=O)NCC 34a_100000210253_100000183381 [2,0,0,0,0,0|2,0,0]=4 5897 B11R0.4 CCCCCOCC(=O)NCC 7a_100000210253_100000183381 [2,0,0,0,0,0|2,0,0]=4 5898 B11R0.4 CCCCCOCC(=O)OCC 34a_100000210253_100000188475 [2,0,0,0,0,0|2,0,0]=4 5899 B11R0.4 CCCCCOCC(=O)OCC 7a_100000210253_100000188475 [2,0,0,0,0,0|2,0,0]=4 5900 B11R0.4 CCCCCSCC(=O)CCC 62a_100000210326_100000747444 [2,0,0,0,0,0|1,0,0]=3 5901 B11R0.4 CCCCCSCC(=O)CCC 62a_100000747444_100000210326 [2,0,0,0,0,0|1,0,0]=3 5902 B11R0.4 CCCCCSCC(=O)NCC 62a_100000183381_100000210326 [2,0,0,0,0,0|2,0,0]=4 5903 B11R0.4 CCCCCSCC(=O)NCC 62a_100000210326_100000183381 [2,0,0,0,0,0|2,0,0]=4 5904 B11R0.4 CCCCCSCC(=O)OCC 62a_100000188475_100000210326 [2,0,0,0,0,0|2,0,0]=4 5905 B11R0.4 CCCCCSCC(=O)OCC 62a_100000210326_100000188475 [2,0,0,0,0,0|2,0,0]=4 5906 B11R0.4 CCCCNCCC(=O)NCC 2230a_100000102301_100000737597 [2,0,0,0,0,0|2,0,0]=4 5907 B11R0.4 CCCCNCCC(=O)NCC 34a_100025743525_100000210210 [2,0,0,0,0,0|2,0,0]=4 5908 B11R0.4 CCCCNCCC(=O)NCC 7a_106832991798_100000737597 [2,0,0,0,0,0|2,0,0]=4 5909 B11R0.4 CCCCNCCC(=O)OCC 2230a_100000102301_100011206558 [2,0,0,0,0,0|2,0,0]=4 5910 B11R0.4 CCCCNCCC(=O)OCC 7a_106832991798_100011206558 [2,0,0,0,0,0|2,0,0]=4 5911 B11R0.4 CCCCNCOC(=O)CCC 2230a_100000102301_100000034017 [2,0,0,0,0,0|1,0,0]=3 5912 B11R0.4 CCCCOCCC(=O)CCC 1458a_100000211992_100000743108 [2,0,0,0,0,0|1,0,0]=3 5913 B11R0.4 CCCCOCCC(=O)CCO 1458a_100011216618_100000743108 [2,0,0,0,0,0|2,0,0]=4 5914 B11R0.4 CCCCOCCC(=O)COC 1458a_100000210968_100000743108 [2,0,0,0,0,0|2,0,0]=4 5915 B11R0.4 CCCCOCCC(=O)CSC 1458a_100000184570_100000743108 [2,0,0,0,0,0|2,0,0]=4 5916 B11R0.4 CCCCOCCC(=O)NCC 7a_100000210227_100000737597 [2,0,0,0,0,0|2,0,0]=4 5917 B11R0.4 CCCCOCCC(=O)OCC 34a_100000210227_100000765890 [2,0,0,0,0,0|2,0,0]=4 5918 B11R0.4 CCCCOCCC(=O)OCC 7a_100000210227_100011206558 [2,0,0,0,0,0|2,0,0]=4 5919 B11R0.4 CCCCOCOC(=O)CCC 34a_100000210227_100000034017 [2,0,0,0,0,0|1,0,0]=3 5920 B11R0.4 CCCCSCCC(=O)NCC 62a_100000210211_100000737597 [2,0,0,0,0,0|2,0,0]=4 5921 B11R0.4 CCCCSCCC(=O)NCC 62a_100000737597_100000210210 [2,0,0,0,0,0|2,0,0]=4 5922 B11R0.4 CCCCSCCC(=O)OCC 62a_100000210211_100000765890 [2,0,0,0,0,0|2,0,0]=4 5923 B11R0.4 CCCCSCCC(=O)OCC 62a_100000765890_100000210210 [2,0,0,0,0,0|2,0,0]=4 5924 B11R0.4 CCCCSCOC(=O)CCC 62a_100000210211_100000034017 [2,0,0,0,0,0|1,0,0]=3 5925 B11R0.4 CCCCSCOC(=O)OCC 62a_100000210211_100000075025 [2,0,0,0,0,0|2,0,0]=4 5926 B11R0.4 CCCOCCCC(=O)OCC 34a_100000210258_100009991533 [2,0,0,0,0,0|2,0,0]=4 5927 B11R0.4 CCCOCCCC(=O)OCC 7a_100012001163_100000210303 [2,0,0,0,0,0|2,0,0]=4 5928 B11R0.4 CCCOCCNC(=O)CCC 1626a_100161115042_100000211992 [2,0,0,0,0,0|2,0,0]=4 5929 B11R0.4 CCCOCCNC(=O)CCC 240690a_100161115042_100000211992 [2,0,0,0,0,0|2,0,0]=4 5930 B11R0.4 CCCOCCNC(=O)CCC 527a_100161115042_100000211992 [2,0,0,0,0,0|2,0,0]=4 5931 B11R0.4 CCCSCCCC(=O)OCC 62a_100000210303_100009991533 [2,0,0,0,0,0|2,0,0]=4 5932 B11R0.4 CCCSCCCC(=O)OCC 62a_100009991533_100000210303 [2,0,0,0,0,0|2,0,0]=4 5933 B11R0.4 CCCSCCNC(=O)CCC 11a_100020603323_100000211992 [2,0,0,0,0,0|2,0,0]=4 5934 B11R0.4 CCCSCCNC(=O)CCC 240690a_100020603323_100000211992 [2,0,0,0,0,0|2,0,0]=4 5935 B11R0.4 CCCSCCNC(=O)CCC 527a_100020603323_100000211992 [2,0,0,0,0,0|2,0,0]=4 5936 B11R0.4 CCNC(=O)CCCCCCO 240690a_100015525214_100011996774 [2,0,0,0,0,0|2,0,0]=4 5937 B11R0.4 CCNC(=O)CCCCCOC 11a_100015525214_100011935119 [2,0,0,0,0,0|2,0,0]=4 5938 B11R0.4 CCNC(=O)CCCCCOC 240690a_100015525214_100011935119 [2,0,0,0,0,0|2,0,0]=4 5939 B11R0.4 CCNC(=O)CCCCCOC 527a_100015525214_100011935119 [2,0,0,0,0,0|2,0,0]=4 5940 B11R0.4 CCNCCCCC(=O)OCC 2230a_100015525214_100000750268 [2,0,0,0,0,0|2,0,0]=4 5941 B11R0.4 CCOC(=O)CCCCCNC 2230a_106832991635_100000755133 [2,0,0,0,0,0|2,0,0]=4 5942 B11R0.4 CCOC(=O)CCCCCNC 34a_100102657272_100000755133 [2,0,0,0,0,0|2,0,0]=4 5943 B11R0.4 CCOC(=O)CCCCCNC 7a_106832991635_100000755133 [2,0,0,0,0,0|2,0,0]=4 5944 B11R0.4 CCOC(=O)CCCCCOC 34a_100138415774_100000755133 [2,0,0,0,0,0|2,0,0]=4 5945 B11R0.4 CCOC(=O)CCCCCOC 7a_100011214988_200000210301 [2,0,0,0,0,0|2,0,0]=4 5946 B11R0.4 CCOC(=O)CCCCCO[13CH3] 7a_100011214988_200025704644 [2,0,0,0,0,0|2,0,0]=4 5947 B11R0.4 CCOC(=O)CCCCCSC 62a_100000755133_200000210301 [2,0,0,0,0,0|2,0,0]=4 5948 B11R0.4 CCOC(=O)CCCCCSC 62a_200000210301_100000755133 [2,0,0,0,0,0|2,0,0]=4 5949 B11R0.4 CCOC(=O)CCCCCS[13CH3] 62a_100000755133_200025704644 [2,0,0,0,0,0|2,0,0]=4 5950 B11R0.4 CCOC(=O)CCCCCS[13CH3] 62a_200025704644_100000755133 [2,0,0,0,0,0|2,0,0]=4 5951 B11R0.4 CCOC(=O)CCCCSCC 62a_100000210202_100000750268 [2,0,0,0,0,0|2,0,0]=4 5952 B11R0.4 CCOC(=O)CCCCSCC 62a_100000750268_100000210202 [2,0,0,0,0,0|2,0,0]=4 5953 B11R0.4 CCOCCCCC(=O)OCC 34a_100121572206_100000750268 [2,0,0,0,0,0|2,0,0]=4 5954 B11R0.4 COCC(=O)CCCCCCF 1458a_100000210968_100015922095 [2,0,0,0,0,0|2,0,0]=4 5955 B11R0.4 COCC(=O)CCCCCCO 1458a_100000210968_100000766143 [2,0,0,0,0,0|2,0,0]=4 5956 B11R0.4 COCCCCCC(=O)CCF 1458a_100011935119_100011217306 [2,0,0,0,0,0|2,0,0]=4 5957 B11R0.4 COCCCCCC(=O)CCO 1458a_100011935119_100000211926 [2,0,0,0,0,0|2,0,0]=4 5958 B11R0.4 CSCC(=O)CCCCCCF 1458a_100000184570_100015922095 [2,0,0,0,0,0|2,0,0]=4 5959 B11R0.4 CSCC(=O)CCCCCCO 1458a_100000184570_100000766143 [2,0,0,0,0,0|2,0,0]=4 5960 B11R0.4 O=C(CCF)CCCCCCO 1458a_100011996774_100011217306 [2,0,0,0,0,0|2,0,0]=4 5961 B11R0.4 O=C(CCO)CCCCCCF 1458a_100011216618_100015922095 [2,0,0,0,0,0|2,0,0]=4 5962 B11R0.4 O=C(CCO)CCCCCCO 1458a_100011216618_100000766143 [2,0,0,0,0,0|2,0,0]=4 5963 B11R0.4 O=C(CCO)CCCCCCO 1458a_100011996774_100000211926 [2,0,0,0,0,0|2,0,0]=4 5964 B11R0.40 C#CC(=O)CCCCCCCC 1458a_100000211873_100000210759 [2,0,0,0,0,0|0,0,2]=4 5965 B11R0.40 C#CCCCCCCC(=O)CC 1458a_100000034748_100000210202 [2,0,0,0,0,0|0,0,2]=4 5966 B11R0.40 C#CCCCCCCC(=O)CC 1458a_100000210414_100012276617 [2,0,0,0,0,0|0,0,2]=4 5967 B11R0.40 C=CC(=O)CCCCCCCC 1458a_100000185746_100000210759 [2,0,0,0,0,0|0,0,2]=4 5968 B11R0.40 C=CCCCCCCC(=O)CC 1458a_100000210414_100011215473 [2,0,0,0,0,0|0,0,2]=4 5969 B11R0.40 C=CCCCCCCC(=O)CC 1458a_100011809334_100000210202 [2,0,0,0,0,0|0,0,2]=4 5970 B11R0.40 CCC(=O)CCCCCCC#N 1458a_100000210414_100009813337 [2,0,0,0,0,0|1,0,1]=4 5971 B11R0.40 CCC(=O)CCCCCCCO 1458a_100000210414_100000760002 [2,0,0,0,0,0|1,0,0]=3 5972 B11R0.40 CCC(=O)CCCCCCCO 1458a_100011219782_100000210202 [2,0,0,0,0,0|1,0,0]=3 5973 B11R0.40 CCC(=O)CCCCCCOC 1458a_100000210414_100011998445 [2,0,0,0,0,0|1,0,0]=3 5974 B11R0.40 CCC(=O)CCCOCCOC 1458a_100000210414_100011216529 [2,0,0,0,0,0|2,0,0]=4 5975 B11R0.40 CCC(=O)COCCCCCBr 7a_100000746331_100000747405 [2,0,0,0,0,0|2,0,0]=4 5976 B11R0.40 CCC(=O)COCCCCCCl 7a_100000746330_100000747405 [2,0,0,0,0,0|2,0,0]=4 5977 B11R0.40 CCC(=O)COCCCCCF 34a_100000725409_100000729378 [2,0,0,0,0,0|2,0,0]=4 5978 B11R0.40 CCC(=O)COCCCCCI 7a_200012148887_100000747405 [2,0,0,0,0,0|2,0,0]=4 5979 B11R0.40 CCC(=O)COCCCCCO 34a_100000725409_100000746330 [2,0,0,0,0,0|2,0,0]=4 5980 B11R0.40 CCC(=O)COCCCCOC 34a_100000725409_100000755781 [2,0,0,0,0,0|2,0,0]=4 5981 B11R0.40 CCC(=O)COCCCCSC 7a_100011217163_100000747405 [2,0,0,0,0,0|2,0,0]=4 5982 B11R0.40 CCC(=O)CSCCCCCF 62a_100000729378_100000747405 [2,0,0,0,0,0|2,0,0]=4 5983 B11R0.40 CCC(=O)CSCCCCCF 62a_100000747405_100000729378 [2,0,0,0,0,0|2,0,0]=4 5984 B11R0.40 CCC(=O)CSCCCCCO 62a_100000746330_100000747405 [2,0,0,0,0,0|2,0,0]=4 5985 B11R0.40 CCC(=O)CSCCCCCO 62a_100000747405_100000746330 [2,0,0,0,0,0|2,0,0]=4 5986 B11R0.40 CCC(=O)CSCCCCOC 62a_100000730899_100000747405 [2,0,0,0,0,0|2,0,0]=4 5987 B11R0.40 CCC(=O)CSCCCCOC 62a_100000747405_100000730899 [2,0,0,0,0,0|2,0,0]=4 5988 B11R0.40 CCC(=O)NCCCCCCO 240690a_100000686447_100000210414 [2,0,0,0,0,0|2,0,0]=4 5989 B11R0.40 CCC(=O)NCCCCCCO 527a_100000686447_100000210414 [2,0,0,0,0,0|2,0,0]=4 5990 B11R0.40 CCC(=O)NCCCCCOC 11a_100000747528_100000210414 [2,0,0,0,0,0|2,0,0]=4 5991 B11R0.40 CCC(=O)NCCCCCOC 1626a_100000747528_100000210414 [2,0,0,0,0,0|2,0,0]=4 5992 B11R0.40 CCC(=O)NCCCCCOC 240690a_100000747528_100000210414 [2,0,0,0,0,0|2,0,0]=4 5993 B11R0.40 CCC(=O)NCCCCCOC 527a_100000747528_100000210414 [2,0,0,0,0,0|2,0,0]=4 5994 B11R0.40 CCC(=O)OCCOCCCF 7a_200000031056_100011934791 [2,0,0,0,0,0|2,0,0]=4 5995 B11R0.40 CCC(=O)OCCOCCCO 7a_200000031056_100011215043 [2,0,0,0,0,0|2,0,0]=4 5996 B11R0.40 CCC(=O)OCCOCCOC 7a_200000031056_100000233755 [2,0,0,0,0,0|2,0,0]=4 5997 B11R0.40 CCC(=O)OCCOCCSC 7a_200000031056_100000212216 [2,0,0,0,0,0|2,0,0]=4 5998 B11R0.40 CCCCC/C=C/CC(=O)CC 1458a_100020675968_100000210202 [2,0,0,0,0,0|0,0,2]=4 5999 B11R0.40 CCCCCC#CCC(=O)CC 1458a_100000210414_100009816472 [2,0,0,0,0,0|0,0,2]=4 6000 B11R0.40 CCCCCCC=CC(=O)CC 1458a_200015324643_100000210202 [2,0,0,0,0,0|0,0,2]=4 6001 B11R0.40 CCCCCCCCC(=O)CC 1458a_100000210188_100000210202 [2,0,0,0,0,0|0,0,0]=2 6002 B11R0.40 CCCCCCCCC(=O)CC 1458a_100000210414_100000210759 [2,0,0,0,0,0|0,0,0]=2 6003 B11R0.40 CCCCCCCCC(=O)CF 1458a_100000210188_100015361967 [2,0,0,0,0,0|1,0,0]=3 6004 B11R0.40 CCCCCCCCC(=O)CO 1458a_100000210174_100000210759 [2,0,0,0,0,0|1,0,0]=3 6005 B11R0.40 CCCCCCCCC(=O)NC 11a_106832991635_100000210188 [2,0,0,0,0,0|1,0,0]=3 6006 B11R0.40 CCCCCCCCC(=O)NC 1626a_100102657272_100000210188 [2,0,0,0,0,0|1,0,0]=3 6007 B11R0.40 CCCCCCCCC(=O)NC 240690a_100102657272_100000210188 [2,0,0,0,0,0|1,0,0]=3 6008 B11R0.40 CCCCCCCCC(=O)NC 527a_100102657272_100000210188 [2,0,0,0,0,0|1,0,0]=3 6009 B11R0.40 CCCCCCCCN(C)CC 2230a_100000207567_100000210202 [2,0,0,0,0,0|2,0,0]=4 6010 B11R0.40 CCCCCCCCN(C)CC 2230a_100000225621_100000210759 [2,0,0,0,0,0|2,0,0]=4 6011 B11R0.40 CCCCCCCCN(C)CC 269982a_100000207567_100000204670 [2,0,0,0,0,0|2,0,0]=4 6012 B11R0.40 CCCCCCCCN(C)CC 269982a_100000225621_100000210759 [2,0,0,0,0,0|2,0,0]=4 6013 B11R0.40 CCCCCCCNC(=O)CC 11a_100000229938_100000210414 [2,0,0,0,0,0|1,0,0]=3 6014 B11R0.40 CCCCCCCNC(=O)CC 1626a_100000229938_100000210414 [2,0,0,0,0,0|1,0,0]=3 6015 B11R0.40 CCCCCCCNC(=O)CC 240690a_100000229938_100000210414 [2,0,0,0,0,0|1,0,0]=3 6016 B11R0.40 CCCCCCCNC(=O)CC 527a_100000229938_100000210414 [2,0,0,0,0,0|1,0,0]=3 6017 B11R0.40 CCCCCCCNC(=O)CO 240690a_100000229938_100000210174 [2,0,0,0,0,0|2,0,0]=4 6018 B11R0.40 CCCCCCCNC(=O)CO 527a_100000229938_100000210174 [2,0,0,0,0,0|2,0,0]=4 6019 B11R0.40 CCCCCCCNC(=O)NC 2708a_100000229938_106832991635 [2,0,0,0,0,0|2,0,0]=4 6020 B11R0.40 CCCCCCCNC(=O)NC 2708a_100102657272_100000229938 [2,0,0,0,0,0|2,0,0]=4 6021 B11R0.40 CCCCCCCNC(=O)NC 273464a_100000229938_100102657272 [2,0,0,0,0,0|2,0,0]=4 6022 B11R0.40 CCCCCCCNC(=O)NC 273464a_100102657272_100000229938 [2,0,0,0,0,0|2,0,0]=4 6023 B11R0.40 CCCCCCCNC(=O)NC 512a_100000229938_100102657272 [2,0,0,0,0,0|2,0,0]=4 6024 B11R0.40 CCCCCCCNC(=O)NC 512a_106832991638_100000229938 [2,0,0,0,0,0|2,0,0]=4 6025 B11R0.40 CCCCCCCOC(C)CC 34a_100000210272_100011215416 [2,0,0,0,0,0|1,0,1]=4 6026 B11R0.40 CCCCCCCOC(C)CC 7a_100000210228_100000210614 [2,0,0,0,0,0|1,0,1]=4 6027 B11R0.40 CCCCCCCOC(C)CC 7a_100000210272_100000758301 [2,0,0,0,0,0|1,0,1]=4 6028 B11R0.40 CCCCCCNCC(=O)NC 2230a_100000210581_100000183359 [2,0,0,0,0,0|2,0,0]=4 6029 B11R0.40 CCCCCCNCC(=O)NC 2230a_100000693194_100000210314 [2,0,0,0,0,0|2,0,0]=4 6030 B11R0.40 CCCCCCNCC(=O)OC 2230a_100000210581_100000747449 [2,0,0,0,0,0|2,0,0]=4 6031 B11R0.40 CCCCCCOCC(=O)CC 34a_100000725409_100000210314 [2,0,0,0,0,0|1,0,0]=3 6032 B11R0.40 CCCCCCOCC(=O)CC 7a_100000210259_100000747405 [2,0,0,0,0,0|1,0,0]=3 6033 B11R0.40 CCCCCCOCC(=O)NC 34a_100000210259_100000183359 [2,0,0,0,0,0|2,0,0]=4 6034 B11R0.40 CCCCCCOCC(=O)NC 34a_100000750040_100000210314 [2,0,0,0,0,0|2,0,0]=4 6035 B11R0.40 CCCCCCOCC(=O)NC 7a_100000210259_100000183359 [2,0,0,0,0,0|2,0,0]=4 6036 B11R0.40 CCCCCCOCC(=O)OC 34a_100000210259_100000747449 [2,0,0,0,0,0|2,0,0]=4 6037 B11R0.40 CCCCCCOCC(=O)OC 7a_100000210259_100000747449 [2,0,0,0,0,0|2,0,0]=4 6038 B11R0.40 CCCCCCSCC(=O)CC 62a_100000210314_100000747405 [2,0,0,0,0,0|1,0,0]=3 6039 B11R0.40 CCCCCCSCC(=O)CC 62a_100000747405_100000210757 [2,0,0,0,0,0|1,0,0]=3 6040 B11R0.40 CCCCCCSCC(=O)NC 62a_100000183359_100000210757 [2,0,0,0,0,0|2,0,0]=4 6041 B11R0.40 CCCCCCSCC(=O)NC 62a_100000210314_100000183359 [2,0,0,0,0,0|2,0,0]=4 6042 B11R0.40 CCCCCCSCC(=O)OC 62a_100000210314_100000747449 [2,0,0,0,0,0|2,0,0]=4 6043 B11R0.40 CCCCCCSCC(=O)OC 62a_100000747449_100000210757 [2,0,0,0,0,0|2,0,0]=4 6044 B11R0.40 CCCCCNCCC(=O)NC 2230a_100000209983_100000737683 [2,0,0,0,0,0|2,0,0]=4 6045 B11R0.40 CCCCCNCCC(=O)NC 2230a_100000738227_100000210326 [2,0,0,0,0,0|2,0,0]=4 6046 B11R0.40 CCCCCNCCC(=O)NC 34a_100000738227_100000718602 [2,0,0,0,0,0|2,0,0]=4 6047 B11R0.40 CCCCCNCCC(=O)OC 2230a_100000209983_100000204255 [2,0,0,0,0,0|2,0,0]=4 6048 B11R0.40 CCCCCOCCC(=O)NC 34a_100000210253_100012179268 [2,0,0,0,0,0|2,0,0]=4 6049 B11R0.40 CCCCCOCCC(=O)NC 34a_100000754576_100000718602 [2,0,0,0,0,0|2,0,0]=4 6050 B11R0.40 CCCCCOCCC(=O)NC 7a_100000210253_100000737683 [2,0,0,0,0,0|2,0,0]=4 6051 B11R0.40 CCCCCOCCC(=O)OC 34a_100000210253_100000742370 [2,0,0,0,0,0|2,0,0]=4 6052 B11R0.40 CCCCCOCCC(=O)OC 7a_100000210253_100000204255 [2,0,0,0,0,0|2,0,0]=4 6053 B11R0.40 CCCCCSCCC(=O)NC 62a_100000210326_100000737683 [2,0,0,0,0,0|2,0,0]=4 6054 B11R0.40 CCCCCSCCC(=O)NC 62a_100000737683_100000210326 [2,0,0,0,0,0|2,0,0]=4 6055 B11R0.40 CCCCCSCCC(=O)OC 62a_100000204255_100000210326 [2,0,0,0,0,0|2,0,0]=4 6056 B11R0.40 CCCCCSCCC(=O)OC 62a_100000210326_100000204255 [2,0,0,0,0,0|2,0,0]=4 6057 B11R0.40 CCCCCSCOC(=O)OC 62a_100000210326_100000139417 [2,0,0,0,0,0|2,0,0]=4 6058 B11R0.40 CCCCNCCCC(=O)NC 2230a_100000102301_100000741757 [2,0,0,0,0,0|2,0,0]=4 6059 B11R0.40 CCCCNCCCC(=O)NC 2230a_100000740002_100000210211 [2,0,0,0,0,0|2,0,0]=4 6060 B11R0.40 CCCCNCCCC(=O)NC 34a_100000740002_100000210210 [2,0,0,0,0,0|2,0,0]=4 6061 B11R0.40 CCCCNCCCC(=O)NC 7a_106832991798_100000741757 [2,0,0,0,0,0|2,0,0]=4 6062 B11R0.40 CCCCNCCCC(=O)OC 2230a_100000102301_100011218270 [2,0,0,0,0,0|2,0,0]=4 6063 B11R0.40 CCCCNCCCC(=O)OC 7a_106832991798_100011218270 [2,0,0,0,0,0|2,0,0]=4 6064 B11R0.40 CCCCNCCNC(=O)CC 34a_100132302217_100000210210 [2,0,0,0,0,0|2,0,0]=4 6065 B11R0.40 CCCCNCCOC(=O)NC 7a_106832991798_200011997002 [2,0,0,0,0,0|2,0,0]=4 6066 B11R0.40 CCCCOCCCC(=O)NC 34a_100000210227_100000741757 [2,0,0,0,0,0|2,0,0]=4 6067 B11R0.40 CCCCOCCCC(=O)NC 7a_100000210227_100000741757 [2,0,0,0,0,0|2,0,0]=4 6068 B11R0.40 CCCCOCCCC(=O)OC 34a_100000210227_100000742333 [2,0,0,0,0,0|2,0,0]=4 6069 B11R0.40 CCCCOCCCC(=O)OC 7a_100000210227_100011218270 [2,0,0,0,0,0|2,0,0]=4 6070 B11R0.40 CCCCOCCNC(=O)CC 34a_200000158885_100000210210 [2,0,0,0,0,0|2,0,0]=4 6071 B11R0.40 CCCCOCCNC(=O)CC 7a_200000158885_100000210211 [2,0,0,0,0,0|2,0,0]=4 6072 B11R0.40 CCCCOCCOC(=O)CC 7a_200000031056_100000210211 [2,0,0,0,0,0|1,0,0]=3 6073 B11R0.40 CCCCOCCOC(=O)NC 34a_100000210227_200011997002 [2,0,0,0,0,0|2,0,0]=4 6074 B11R0.40 CCCCOCCOC(=O)NC 7a_100000210227_200011997002 [2,0,0,0,0,0|2,0,0]=4 6075 B11R0.40 CCCCOCCOC(=O)OC 34a_100010262106_100000210210 [2,0,0,0,0,0|2,0,0]=4 6076 B11R0.40 CCCCOCOCC(=O)CC 34a_100000725409_100011995733 [2,0,0,0,0,0|2,0,0]=4 6077 B11R0.40 CCCCOCSCC(=O)CC 62a_100000747405_100011995733 [2,0,0,0,0,0|2,0,0]=4 6078 B11R0.40 CCCCOCSCC(=O)CC 62a_100011995733_100000747405 [2,0,0,0,0,0|2,0,0]=4 6079 B11R0.40 CCCCSCCCC(=O)NC 62a_100000210211_100000741757 [2,0,0,0,0,0|2,0,0]=4 6080 B11R0.40 CCCCSCCCC(=O)NC 62a_100000741757_100000210210 [2,0,0,0,0,0|2,0,0]=4 6081 B11R0.40 CCCCSCCCC(=O)OC 62a_100000210211_100011218270 [2,0,0,0,0,0|2,0,0]=4 6082 B11R0.40 CCCCSCCCC(=O)OC 62a_100011218270_100000210210 [2,0,0,0,0,0|2,0,0]=4 6083 B11R0.40 CCCCSCCNC(=O)CC 11a_100025743550_100000210414 [2,0,0,0,0,0|2,0,0]=4 6084 B11R0.40 CCCCSCCNC(=O)CC 1626a_100025743550_100000210414 [2,0,0,0,0,0|2,0,0]=4 6085 B11R0.40 CCCCSCCNC(=O)CC 240690a_100025743550_100000210414 [2,0,0,0,0,0|2,0,0]=4 6086 B11R0.40 CCCCSCCNC(=O)CC 527a_100025743550_100000210414 [2,0,0,0,0,0|2,0,0]=4 6087 B11R0.40 CCCCSCCOC(=O)NC 62a_100000210211_200011997002 [2,0,0,0,0,0|2,0,0]=4 6088 B11R0.40 CCCCSCCOC(=O)NC 62a_200011997002_100000210210 [2,0,0,0,0,0|2,0,0]=4 6089 B11R0.40 CCCOCCCCC(=O)OC 34a_100000059025_100000210303 [2,0,0,0,0,0|2,0,0]=4 6090 B11R0.40 CCCOCCCCC(=O)OC 34a_100000210258_100000204269 [2,0,0,0,0,0|2,0,0]=4 6091 B11R0.40 CCCOCCCCC(=O)OC 7a_100000059025_100000210303 [2,0,0,0,0,0|2,0,0]=4 6092 B11R0.40 CCCOCCCNC(=O)CC 1626a_100011217757_100000210414 [2,0,0,0,0,0|2,0,0]=4 6093 B11R0.40 CCCOCCCNC(=O)CC 240690a_100011217757_100000210414 [2,0,0,0,0,0|2,0,0]=4 6094 B11R0.40 CCCOCCCNC(=O)CC 527a_100011217757_100000210414 [2,0,0,0,0,0|2,0,0]=4 6095 B11R0.40 CCCOCCOCC(=O)CC 34a_100000725409_100011215938 [2,0,0,0,0,0|2,0,0]=4 6096 B11R0.40 CCCOCCOCC(=O)CC 7a_100000752267_100000747405 [2,0,0,0,0,0|2,0,0]=4 6097 B11R0.40 CCCOCCSCC(=O)CC 62a_100000747405_100011215938 [2,0,0,0,0,0|2,0,0]=4 6098 B11R0.40 CCCOCCSCC(=O)CC 62a_100011215938_100000747405 [2,0,0,0,0,0|2,0,0]=4 6099 B11R0.40 CCCSCCCCC(=O)OC 62a_100000204269_100000210303 [2,0,0,0,0,0|2,0,0]=4 6100 B11R0.40 CCCSCCCCC(=O)OC 62a_100000210303_100000204269 [2,0,0,0,0,0|2,0,0]=4 6101 B11R0.40 CCCSCCOCC(=O)CC 7a_200000230433_100000747405 [2,0,0,0,0,0|2,0,0]=4 6102 B11R0.40 CCNCCCCCC(=O)OC 2230a_100015525214_100009816466 [2,0,0,0,0,0|2,0,0]=4 6103 B11R0.40 CCOCCCCCC(=O)OC 34a_100000074720_100000210202 [2,0,0,0,0,0|2,0,0]=4 6104 B11R0.40 CCOCCCCCC(=O)OC 34a_100121572206_100009816466 [2,0,0,0,0,0|2,0,0]=4 6105 B11R0.40 CCOCCCCCC(=O)OC 7a_100000074720_100000210202 [2,0,0,0,0,0|2,0,0]=4 6106 B11R0.40 CCOCCCOCC(=O)CC 34a_100000725409_100012232248 [2,0,0,0,0,0|2,0,0]=4 6107 B11R0.40 CCOCCCOCC(=O)CC 7a_100000757476_100000747405 [2,0,0,0,0,0|2,0,0]=4 6108 B11R0.40 CCOCCCSCC(=O)CC 62a_100000747405_100012232248 [2,0,0,0,0,0|2,0,0]=4 6109 B11R0.40 CCOCCCSCC(=O)CC 62a_100012232248_100000747405 [2,0,0,0,0,0|2,0,0]=4 6110 B11R0.40 CCOCCOCCC(=O)CC 1458a_100000210414_100011211534 [2,0,0,0,0,0|2,0,0]=4 6111 B11R0.40 CCSCCCCCC(=O)OC 62a_100000210202_100009816466 [2,0,0,0,0,0|2,0,0]=4 6112 B11R0.40 CCSCCCCCC(=O)OC 62a_100009816466_100000210202 [2,0,0,0,0,0|2,0,0]=4 6113 B11R0.40 CCSCCCOCC(=O)CC 7a_100011216438_100000747405 [2,0,0,0,0,0|2,0,0]=4 6114 B11R0.40 CNC(=O)CCCCCCCO 240690a_100102657272_100011219782 [2,0,0,0,0,0|2,0,0]=4 6115 B11R0.40 CNCCCCCCC(=O)OC 2230a_106832991635_100009815986 [2,0,0,0,0,0|2,0,0]=4 6116 B11R0.40 CNCCCCCCC(=O)OC 34a_100102657272_100009815986 [2,0,0,0,0,0|2,0,0]=4 6117 B11R0.40 CNCCCCCCC(=O)OC 7a_106832991635_100009815986 [2,0,0,0,0,0|2,0,0]=4 6118 B11R0.40 COC(=O)CCCCCCO[13CH3] 34a_100009863599_200025704644 [2,0,0,0,0,0|2,0,0]=4 6119 B11R0.40 COC(=O)CCCCCCO[13CH3] 7a_100009863599_200025704644 [2,0,0,0,0,0|2,0,0]=4 6120 B11R0.40 COC(=O)CCCCCCSC 62a_100009815986_200000210301 [2,0,0,0,0,0|2,0,0]=4 6121 B11R0.40 COC(=O)CCCCCCSC 62a_200000210301_100009815986 [2,0,0,0,0,0|2,0,0]=4 6122 B11R0.40 COC(=O)CCCCCCS[13CH3] 62a_100009815986_200025704644 [2,0,0,0,0,0|2,0,0]=4 6123 B11R0.40 COC(=O)CCCCCCS[13CH3] 62a_200025704644_100009815986 [2,0,0,0,0,0|2,0,0]=4 6124 B11R0.40 COCCCCCCC(=O)CO 1458a_100000210174_100011998445 [2,0,0,0,0,0|2,0,0]=4 6125 B11R0.40 COCCCCCCC(=O)OC 34a_100009863599_200000210301 [2,0,0,0,0,0|2,0,0]=4 6126 B11R0.40 COCCCCCCC(=O)OC 34a_100138415774_100009815986 [2,0,0,0,0,0|2,0,0]=4 6127 B11R0.40 COCCCCCCC(=O)OC 7a_100009863599_200000210301 [2,0,0,0,0,0|2,0,0]=4 6128 B11R0.40 O=C(CF)CCCCCCCO 1458a_100011219782_100015361967 [2,0,0,0,0,0|2,0,0]=4 6129 B11R0.40 O=C(CO)CCCCCCCO 1458a_100000210174_100000760002 [2,0,0,0,0,0|2,0,0]=4 6130 B11R0.148 CC(=O)CCCCCCCCO 1458a_100000070787_100000033203 [2,0,0,0,0,0|2,0,0]=4 6131 B11R0.148 CC(=O)NCCCCCCCO 240690a_100011996573_100015343762 [2,0,0,0,0,0|2,0,0]=4 6132 B11R0.148 CC(=O)NCCCCCCN[13CH3] 2230a_200011996284_200025704644 [2,0,0,0,0,0|2,0,0]=4 6133 B11R0.148 CC(=O)NCCCCCCN[13CH3] 34a_200011996284_200025704644 [2,0,0,0,0,0|2,0,0]=4 6134 B11R0.148 CC(=O)OCCCCCSCF 62a_100000033007_100015361967 [2,0,0,0,0,0|2,0,0]=4 6135 B11R0.148 CC(=O)OCCCCCSCF 62a_100015361967_100000033007 [2,0,0,0,0,0|2,0,0]=4 6136 B11R0.148 CC(=O)OCCCCNCCF 34a_100000724931_100000033659 [2,0,0,0,0,0|2,0,0]=4 6137 B11R0.148 CC(=O)OCCCCNCCO 34a_100016990907_100000033659 [2,0,0,0,0,0|2,0,0]=4 6138 B11R0.148 CC(=O)OCCCCOCCBr 34a_100000211926_100000033659 [2,0,0,0,0,0|2,0,0]=4 6139 B11R0.148 CC(=O)OCCCCOCCF 34a_100000073216_100011217306 [2,0,0,0,0,0|2,0,0]=4 6140 B11R0.148 CC(=O)OCCCCOCCF 7a_100000073216_100011217306 [2,0,0,0,0,0|2,0,0]=4 6141 B11R0.148 CC(=O)OCCCCOCCN 34a_100000210304_100000033659 [2,0,0,0,0,0|2,0,0]=4 6142 B11R0.148 CC(=O)OCCCCOCCO 34a_100000073216_100000211926 [2,0,0,0,0,0|2,0,0]=4 6143 B11R0.148 CC(=O)OCCCCOCCO 7a_100000073216_100000211926 [2,0,0,0,0,0|2,0,0]=4 6144 B11R0.148 CC(=O)OCCCCSCCF 62a_100000033659_100011217306 [2,0,0,0,0,0|2,0,0]=4 6145 B11R0.148 CC(=O)OCCCCSCCF 62a_100011217306_100000033659 [2,0,0,0,0,0|2,0,0]=4 6146 B11R0.148 CC(=O)OCCCCSCCO 62a_100000033659_100000211926 [2,0,0,0,0,0|2,0,0]=4 6147 B11R0.148 CC(=O)OCCCCSCCO 62a_100000211926_100000033659 [2,0,0,0,0,0|2,0,0]=4 6148 B11R0.148 CC(=O)OCCCNCCCF 34a_100015189416_100000042594 [2,0,0,0,0,0|2,0,0]=4 6149 B11R0.148 CC(=O)OCCCOCCCBr 34a_100011217188_100000042594 [2,0,0,0,0,0|2,0,0]=4 6150 B11R0.148 CC(=O)OCCCOCCCCl 34a_100000230001_100000042594 [2,0,0,0,0,0|2,0,0]=4 6151 B11R0.148 CC(=O)OCCCOCCCF 34a_100000759539_100000042594 [2,0,0,0,0,0|2,0,0]=4 6152 B11R0.148 CC(=O)OCCCOCCCN 34a_100000182051_100000042594 [2,0,0,0,0,0|2,0,0]=4 6153 B11R0.148 CC(=O)OCCCSCCCF 62a_100000042594_100011934791 [2,0,0,0,0,0|2,0,0]=4 6154 B11R0.148 CC(=O)OCCCSCCCF 62a_100011934791_100000042594 [2,0,0,0,0,0|2,0,0]=4 6155 B11R0.148 CC(=O)OCCCSCCCO 62a_100000042594_100011215043 [2,0,0,0,0,0|2,0,0]=4 6156 B11R0.148 CC(=O)OCCCSCCCO 62a_100011215043_100000042594 [2,0,0,0,0,0|2,0,0]=4 6157 B11R0.148 CC(=O)OCCNCCCCO 34a_100000750430_100009814007 [2,0,0,0,0,0|2,0,0]=4 6158 B11R0.148 CC(=O)OCCOCCCCBr 34a_100011216708_100009814007 [2,0,0,0,0,0|2,0,0]=4 6159 B11R0.148 CC(=O)OCCOCCCCCl 34a_100000210776_100009814007 [2,0,0,0,0,0|2,0,0]=4 6160 B11R0.148 CC(=O)OCCOCCCCCl 7a_100000210776_100009814007 [2,0,0,0,0,0|2,0,0]=4 6161 B11R0.148 CC(=O)OCCOCCCCF 34a_100011995726_100009814007 [2,0,0,0,0,0|2,0,0]=4 6162 B11R0.148 CC(=O)OCCOCCCCF 7a_100011995726_100009814007 [2,0,0,0,0,0|2,0,0]=4 6163 B11R0.148 CC(=O)OCCOCCCCI 34a_200012148704_100009814007 [2,0,0,0,0,0|2,0,0]=4 6164 B11R0.148 CC(=O)OCCOCCCCN 34a_100000750430_100009814007 [2,0,0,0,0,0|2,0,0]=4 6165 B11R0.148 CC(=O)OCCSCCCCF 62a_100000729493_100009814007 [2,0,0,0,0,0|2,0,0]=4 6166 B11R0.148 CC(=O)OCCSCCCCF 62a_100009814007_100000729493 [2,0,0,0,0,0|2,0,0]=4 6167 B11R0.148 CC(=O)OCCSCCCCO 62a_100000210776_100009814007 [2,0,0,0,0,0|2,0,0]=4 6168 B11R0.148 CC(=O)OCCSCCCCO 62a_100009814007_100000210776 [2,0,0,0,0,0|2,0,0]=4 6169 B11R0.148 CC(=O)OCNCCCCCO 34a_100000762737_100009813279 [2,0,0,0,0,0|2,0,0]=4 6170 B11R0.148 CC(=O)OCOCCCCCBr 34a_100000746331_100009813279 [2,0,0,0,0,0|2,0,0]=4 6171 B11R0.148 CC(=O)OCOCCCCCCl 34a_100000746330_100009813279 [2,0,0,0,0,0|2,0,0]=4 6172 B11R0.148 CC(=O)OCOCCCCCI 34a_200012148887_100009813279 [2,0,0,0,0,0|2,0,0]=4 6173 B11R0.148 CC(=O)OCOCCCCCN 34a_100000762737_100009813279 [2,0,0,0,0,0|2,0,0]=4 6174 B11R0.148 CC(=O)OCSCCCCCF 62a_100000076356_100000729378 [2,0,0,0,0,0|2,0,0]=4 6175 B11R0.148 CC(=O)OCSCCCCCF 62a_100000729378_100000076356 [2,0,0,0,0,0|2,0,0]=4 6176 B11R0.148 CC(=O)OCSCCCCCO 62a_100000076356_100000746330 [2,0,0,0,0,0|2,0,0]=4 6177 B11R0.148 CC(=O)OCSCCCCCO 62a_100000746330_100000076356 [2,0,0,0,0,0|2,0,0]=4 6178 B11R0.148 CCCCCCCC=CC(=O)C 1458a_200015332781_200000210301 [2,0,0,0,0,0|1,0,1]=4 6179 B11R0.148 CCCCCCCC=CC(=O)[13CH3] 1458a_200015332781_200025704644 [2,0,0,0,0,0|1,0,1]=4 6180 B11R0.148 CCCCCCCCCC(=O)C 1458a_100000070787_100000210670 [2,0,0,0,0,0|1,0,0]=3 6181 B11R0.148 CCCCCCCCCC(=O)C 1458a_100000210558_200000210301 [2,0,0,0,0,0|1,0,0]=3 6182 B11R0.148 CCCCCCCCCC(=O)[13CH3] 1458a_100000210558_200025704644 [2,0,0,0,0,0|1,0,0]=3 6183 B11R0.148 CCCCCCCCNC(=O)C 11a_100000229939_100015343762 [2,0,0,0,0,0|1,0,0]=3 6184 B11R0.148 CCCCCCCCNC(=O)C 1626a_100000229939_100015343762 [2,0,0,0,0,0|1,0,0]=3 6185 B11R0.148 CCCCCCCCNC(=O)C 240690a_100000229939_100015343762 [2,0,0,0,0,0|1,0,0]=3 6186 B11R0.148 CCCCCCCCNC(=O)C 527a_100000229939_100103153847 [2,0,0,0,0,0|1,0,0]=3 6187 B11R0.148 CCCCCCCCOC(C)C 34a_100000210232_100000210206 [2,0,0,0,0,0|1,0,1]=4 6188 B11R0.148 CCCCCCCCOC(C)C 34a_100000212225_100000210759 [2,0,0,0,0,0|1,0,1]=4 6189 B11R0.148 CCCCCCCCOC(C)C 7a_100000210232_100000210206 [2,0,0,0,0,0|1,0,1]=4 6190 B11R0.148 CCCCCCCOCC(=O)C 34a_100000211253_100000210614 [2,0,0,0,0,0|2,0,0]=4 6191 B11R0.148 CCCCCCOCCC(=O)C 34a_100000759926_100000210314 [2,0,0,0,0,0|2,0,0]=4 6192 B11R0.148 CCCCCCOCCC(=O)C 7a_100000210259_100000053229 [2,0,0,0,0,0|2,0,0]=4 6193 B11R0.148 CCCCCCOCCC(=O)C 7a_100000759926_100000210314 [2,0,0,0,0,0|2,0,0]=4 6194 B11R0.148 CCCCCCOCOC(=O)C 34a_100000210259_100009813279 [2,0,0,0,0,0|1,0,0]=3 6195 B11R0.148 CCCCCCSCCC(=O)C 62a_100000053229_100000210757 [2,0,0,0,0,0|2,0,0]=4 6196 B11R0.148 CCCCCCSCCC(=O)C 62a_100000210314_100000053229 [2,0,0,0,0,0|2,0,0]=4 6197 B11R0.148 CCCCCCSCOC(=O)C 62a_100000076356_100000210757 [2,0,0,0,0,0|1,0,0]=3 6198 B11R0.148 CCCCCCSCOC(=O)C 62a_100000210314_100000076356 [2,0,0,0,0,0|1,0,0]=3 6199 B11R0.148 CCCCCNCCNC(=O)C 2230a_100000209853_100000210326 [2,0,0,0,0,0|2,0,0]=4 6200 B11R0.148 CCCCCNCCNC(=O)C 2230a_100000209983_100000189650 [2,0,0,0,0,0|2,0,0]=4 6201 B11R0.148 CCCCCOCCCC(=O)C 34a_100000210253_100000685027 [2,0,0,0,0,0|2,0,0]=4 6202 B11R0.148 CCCCCOCCCC(=O)C 34a_100000759063_100000718602 [2,0,0,0,0,0|2,0,0]=4 6203 B11R0.148 CCCCCOCCCC(=O)C 7a_100000210253_100011215641 [2,0,0,0,0,0|2,0,0]=4 6204 B11R0.148 CCCCCOCCCC(=O)C 7a_100000759063_100000210326 [2,0,0,0,0,0|2,0,0]=4 6205 B11R0.148 CCCCCOCCNC(=O)C 34a_100000158858_100000718602 [2,0,0,0,0,0|2,0,0]=4 6206 B11R0.148 CCCCCOCCNC(=O)C 7a_100000210253_100000189650 [2,0,0,0,0,0|2,0,0]=4 6207 B11R0.148 CCCCCOCCOC(=O)C 34a_100000210253_100009814007 [2,0,0,0,0,0|1,0,0]=3 6208 B11R0.148 CCCCCOCCOC(=O)C 7a_100000210253_100009814007 [2,0,0,0,0,0|1,0,0]=3 6209 B11R0.148 CCCCCOCCOC(=O)N 34a_100000210253_200011214921 [2,0,0,0,0,0|2,0,0]=4 6210 B11R0.148 CCCCCOCCOC(=O)N 7a_100000210253_200011214921 [2,0,0,0,0,0|2,0,0]=4 6211 B11R0.148 CCCCCOCCOC(=O)N 7a_100000766696_100000210326 [2,0,0,0,0,0|2,0,0]=4 6212 B11R0.148 CCCCCSCCCC(=O)C 62a_100000210326_100011215641 [2,0,0,0,0,0|2,0,0]=4 6213 B11R0.148 CCCCCSCCCC(=O)C 62a_100011215641_100000210326 [2,0,0,0,0,0|2,0,0]=4 6214 B11R0.148 CCCCCSCCNC(=O)C 62a_100000189650_100000210326 [2,0,0,0,0,0|2,0,0]=4 6215 B11R0.148 CCCCCSCCNC(=O)C 62a_100000210326_100000189650 [2,0,0,0,0,0|2,0,0]=4 6216 B11R0.148 CCCCCSCCOC(=O)C 62a_100000210326_100009814007 [2,0,0,0,0,0|1,0,0]=3 6217 B11R0.148 CCCCCSCCOC(=O)C 62a_100009814007_100000210326 [2,0,0,0,0,0|1,0,0]=3 6218 B11R0.148 CCCCCSCCOC(=O)N 62a_100000210326_200011214921 [2,0,0,0,0,0|2,0,0]=4 6219 B11R0.148 CCCCCSCCOC(=O)N 62a_200011214921_100000210326 [2,0,0,0,0,0|2,0,0]=4 6220 B11R0.148 CCCCNCCCCC(=O)C 7a_106832991798_100000735457 [2,0,0,0,0,0|2,0,0]=4 6221 B11R0.148 CCCCNCCCNC(=O)C 34a_100000736810_100000210210 [2,0,0,0,0,0|2,0,0]=4 6222 B11R0.148 CCCCNCCCOC(=O)C 7a_106832991798_100000042594 [2,0,0,0,0,0|1,0,0]=3 6223 B11R0.148 CCCCNCCCOC(=S)C 2230a_100000102301_200135323944 [2,0,0,0,0,0|1,1,0]=4 6224 B11R0.148 CCCCNCCCOC(=S)C 7a_106832991798_200135323944 [2,0,0,0,0,0|1,1,0]=4 6225 B11R0.148 CCCCNCCCSC(=O)C 2230a_100000102301_100000038929 [2,0,0,0,0,0|1,1,0]=4 6226 B11R0.148 CCCCNCCCSC(=O)C 7a_106832991798_100000038929 [2,0,0,0,0,0|1,1,0]=4 6227 B11R0.148 CCCCOCCCCC(=O)C 34a_100000210227_100009817362 [2,0,0,0,0,0|2,0,0]=4 6228 B11R0.148 CCCCOCCCCC(=O)C 7a_100000210227_100000735457 [2,0,0,0,0,0|2,0,0]=4 6229 B11R0.148 CCCCOCCCNC(=O)C 1626a_200000211371_100015343762 [2,0,0,0,0,0|2,0,0]=4 6230 B11R0.148 CCCCOCCCNC(=O)C 240690a_200000211371_100015343762 [2,0,0,0,0,0|2,0,0]=4 6231 B11R0.148 CCCCOCCCNC(=O)C 34a_100000752032_100000210210 [2,0,0,0,0,0|2,0,0]=4 6232 B11R0.148 CCCCOCCCNC(=O)C 527a_200000211371_100103153847 [2,0,0,0,0,0|2,0,0]=4 6233 B11R0.148 CCCCOCCCOC(=O)C 34a_100000210227_100000042594 [2,0,0,0,0,0|1,0,0]=3 6234 B11R0.148 CCCCOCCCOC(=O)C 7a_100000210227_100000042594 [2,0,0,0,0,0|1,0,0]=3 6235 B11R0.148 CCCCOCCCOC(=S)C 34a_100000210227_200135323944 [2,0,0,0,0,0|1,1,0]=4 6236 B11R0.148 CCCCOCCCOC(=S)C 7a_100000210227_200135323944 [2,0,0,0,0,0|1,1,0]=4 6237 B11R0.148 CCCCOCCCSC(=O)C 34a_100000210227_100000038929 [2,0,0,0,0,0|1,1,0]=4 6238 B11R0.148 CCCCOCCCSC(=O)C 7a_100000210227_100000038929 [2,0,0,0,0,0|1,1,0]=4 6239 B11R0.148 CCCCOCSCOC(=O)C 62a_100000076356_100011995733 [2,0,0,0,0,0|2,0,0]=4 6240 B11R0.148 CCCCOCSCOC(=O)C 62a_100011995733_100000076356 [2,0,0,0,0,0|2,0,0]=4 6241 B11R0.148 CCCCSCCCCC(=O)C 62a_100000210211_100000735457 [2,0,0,0,0,0|2,0,0]=4 6242 B11R0.148 CCCCSCCCCC(=O)C 62a_100000735457_100000210210 [2,0,0,0,0,0|2,0,0]=4 6243 B11R0.148 CCCCSCCCOC(=O)C 62a_100000042594_100000210210 [2,0,0,0,0,0|1,0,0]=3 6244 B11R0.148 CCCCSCCCOC(=O)C 62a_100000210211_100000042594 [2,0,0,0,0,0|1,0,0]=3 6245 B11R0.148 CCCCSCCCOC(=S)C 62a_100000210211_200135323944 [2,0,0,0,0,0|1,1,0]=4 6246 B11R0.148 CCCCSCCCOC(=S)C 62a_200135323944_100000210210 [2,0,0,0,0,0|1,1,0]=4 6247 B11R0.148 CCCCSCCCSC(=O)C 62a_100000038929_100000210210 [2,0,0,0,0,0|1,1,0]=4 6248 B11R0.148 CCCCSCCCSC(=O)C 62a_100000210211_100000038929 [2,0,0,0,0,0|1,1,0]=4 6249 B11R0.148 CCCNCCCCNC(=O)C 2230a_200011368371_100000210303 [2,0,0,0,0,0|2,0,0]=4 6250 B11R0.148 CCCNCCCCNC(=O)C 34a_200011368371_100000210303 [2,0,0,0,0,0|2,0,0]=4 6251 B11R0.148 CCCOCCCCOC(=O)C 34a_100000073216_100000210303 [2,0,0,0,0,0|1,0,0]=3 6252 B11R0.148 CCCOCCCCOC(=O)C 34a_100000210258_100000033659 [2,0,0,0,0,0|1,0,0]=3 6253 B11R0.148 CCCOCCCCOC(=O)C 7a_100000073216_100000210303 [2,0,0,0,0,0|1,0,0]=3 6254 B11R0.148 CCCOCCCCSC(=O)C 34a_100000210258_200010402107 [2,0,0,0,0,0|1,1,0]=4 6255 B11R0.148 CCCOCCNCOC(=O)C 34a_100161115042_100009813279 [2,0,0,0,0,0|2,0,0]=4 6256 B11R0.148 CCCOCCOCOC(=O)C 34a_100000752267_100009813279 [2,0,0,0,0,0|2,0,0]=4 6257 B11R0.148 CCCOCCSCOC(=O)C 62a_100000076356_100011215938 [2,0,0,0,0,0|2,0,0]=4 6258 B11R0.148 CCCOCCSCOC(=O)C 62a_100011215938_100000076356 [2,0,0,0,0,0|2,0,0]=4 6259 B11R0.148 CCCOCOCCOC(=O)C 34a_100000210258_100000076355 [2,0,0,0,0,0|2,0,0]=4 6260 B11R0.148 CCCSCCCCOC(=O)C 62a_100000033659_100000210303 [2,0,0,0,0,0|1,0,0]=3 6261 B11R0.148 CCCSCCCCOC(=O)C 62a_100000210303_100000033659 [2,0,0,0,0,0|1,0,0]=3 6262 B11R0.148 CCCSCCCCSC(=O)C 62a_100000210303_200010402107 [2,0,0,0,0,0|1,1,0]=4 6263 B11R0.148 CCCSCCCCSC(=O)C 62a_200010402107_100000210303 [2,0,0,0,0,0|1,1,0]=4 6264 B11R0.148 CCCSCCOCOC(=O)C 34a_200000230433_100009813279 [2,0,0,0,0,0|2,0,0]=4 6265 B11R0.148 CCCSCOCCOC(=O)C 62a_100000076355_100000210303 [2,0,0,0,0,0|2,0,0]=4 6266 B11R0.148 CCCSCOCCOC(=O)C 62a_100000210303_100000076355 [2,0,0,0,0,0|2,0,0]=4 6267 B11R0.148 CCNCCCCCNC(=O)C 2230a_200012022750_100000210202 [2,0,0,0,0,0|2,0,0]=4 6268 B11R0.148 CCNCCCCCNC(=O)C 34a_200012022750_100000210202 [2,0,0,0,0,0|2,0,0]=4 6269 B11R0.148 CCNCCCCCOC(=O)C 2230a_100015525214_100009813381 [2,0,0,0,0,0|1,0,0]=3 6270 B11R0.148 CCNCCOCCOC(=O)C 2230a_100015525214_200000083610 [2,0,0,0,0,0|2,0,0]=4 6271 B11R0.148 CCOCCCCCOC(=O)C 34a_100121572206_100000033007 [2,0,0,0,0,0|1,0,0]=3 6272 B11R0.148 CCOCCCNCOC(=O)C 34a_100000210961_100009813279 [2,0,0,0,0,0|2,0,0]=4 6273 B11R0.148 CCOCCCOCOC(=O)C 34a_100000757476_100009813279 [2,0,0,0,0,0|2,0,0]=4 6274 B11R0.148 CCOCCCSCOC(=O)C 62a_100000076356_100012232248 [2,0,0,0,0,0|2,0,0]=4 6275 B11R0.148 CCOCCCSCOC(=O)C 62a_100012232248_100000076356 [2,0,0,0,0,0|2,0,0]=4 6276 B11R0.148 CCOCCNCCOC(=O)C 34a_102516460346_100009814007 [2,0,0,0,0,0|2,0,0]=4 6277 B11R0.148 CCOCCOCCOC(=O)C 34a_100000210136_100009814007 [2,0,0,0,0,0|2,0,0]=4 6278 B11R0.148 CCOCCOCCOC(=O)C 34a_100121572206_200000083610 [2,0,0,0,0,0|2,0,0]=4 6279 B11R0.148 CCOCCOCCOC(=O)C 7a_100000210136_100009814007 [2,0,0,0,0,0|2,0,0]=4 6280 B11R0.148 CCOCCSCCOC(=O)C 62a_100000210147_100009814007 [2,0,0,0,0,0|2,0,0]=4 6281 B11R0.148 CCOCCSCCOC(=O)C 62a_100009814007_100011215890 [2,0,0,0,0,0|2,0,0]=4 6282 B11R0.148 CCOCSCCCOC(=O)C 62a_100000042594_100000739092 [2,0,0,0,0,0|2,0,0]=4 6283 B11R0.148 CCOCSCCCOC(=O)C 62a_100000739092_100000042594 [2,0,0,0,0,0|2,0,0]=4 6284 B11R0.148 CCSCCCCCOC(=O)C 62a_100000033007_100000210202 [2,0,0,0,0,0|1,0,0]=3 6285 B11R0.148 CCSCCCCCOC(=O)C 62a_100000210202_100000033007 [2,0,0,0,0,0|1,0,0]=3 6286 B11R0.148 CCSCCCOCOC(=O)C 34a_100011216438_100009813279 [2,0,0,0,0,0|2,0,0]=4 6287 B11R0.148 CCSCCOCCOC(=O)C 34a_100000212035_100009814007 [2,0,0,0,0,0|2,0,0]=4 6288 B11R0.148 CCSCCOCCOC(=O)C 62a_100000210202_200000083610 [2,0,0,0,0,0|2,0,0]=4 6289 B11R0.148 CCSCCOCCOC(=O)C 62a_200000083610_100000210202 [2,0,0,0,0,0|2,0,0]=4 6290 B11R0.148 CCSCCOCCOC(=O)C 7a_100000212035_100009814007 [2,0,0,0,0,0|2,0,0]=4 6291 B11R0.148 CCSCCSCCOC(=O)C 62a_100000757381_100009814007 [2,0,0,0,0,0|2,0,0]=4 6292 B11R0.148 CCSCCSCCOC(=O)C 62a_100009814007_100000757381 [2,0,0,0,0,0|2,0,0]=4 6293 B11R0.148 CNCCCCCCNC(=O)C 2230a_200011996284_200000210301 [2,0,0,0,0,0|2,0,0]=4 6294 B11R0.148 CNCCCCCCNC(=O)C 34a_200011996284_200000210301 [2,0,0,0,0,0|2,0,0]=4 6295 B11R0.148 CNCCCOCCOC(=O)C 34a_100000213112_100009814007 [2,0,0,0,0,0|2,0,0]=4 6296 B11R0.148 COCCCCOCOC(=O)C 34a_100000740925_100009813279 [2,0,0,0,0,0|2,0,0]=4 6297 B11R0.148 COCCCCSCOC(=O)C 62a_100000076356_100000730899 [2,0,0,0,0,0|2,0,0]=4 6298 B11R0.148 COCCCCSCOC(=O)C 62a_100000730899_100000076356 [2,0,0,0,0,0|2,0,0]=4 6299 B11R0.148 COCCCNCCOC(=O)C 34a_100150723488_100009814007 [2,0,0,0,0,0|2,0,0]=4 6300 B11R0.148 COCCCOCCOC(=O)C 34a_100000740835_100009814007 [2,0,0,0,0,0|2,0,0]=4 6301 B11R0.148 COCCCSCCOC(=O)C 62a_100000709357_100009814007 [2,0,0,0,0,0|2,0,0]=4 6302 B11R0.148 COCCCSCCOC(=O)C 62a_100009814007_100000709357 [2,0,0,0,0,0|2,0,0]=4 6303 B11R0.148 COCCOCCCOC(=O)C 34a_100000210237_100000042594 [2,0,0,0,0,0|2,0,0]=4 6304 B11R0.148 COCCSCCCOC(=O)C 62a_100000042594_100000233755 [2,0,0,0,0,0|2,0,0]=4 6305 B11R0.148 COCCSCCCOC(=O)C 62a_100000233755_100000042594 [2,0,0,0,0,0|2,0,0]=4 6306 B11R0.148 COCSCCCCOC(=O)C 62a_100000033659_100000766300 [2,0,0,0,0,0|2,0,0]=4 6307 B11R0.148 COCSCCCCOC(=O)C 62a_100000766300_100000033659 [2,0,0,0,0,0|2,0,0]=4 6308 B11R0.148 CSCCCCOCOC(=O)C 34a_100011217163_100009813279 [2,0,0,0,0,0|2,0,0]=4 6309 B11R0.148 CSCCCOCCOC(=O)C 34a_100000690336_100009814007 [2,0,0,0,0,0|2,0,0]=4 6310 B11R0.148 CSCCCOCCOC(=O)C 7a_100000690336_100009814007 [2,0,0,0,0,0|2,0,0]=4 6311 B11R0.148 CSCCOCCCOC(=O)C 34a_100000230434_100000042594 [2,0,0,0,0,0|2,0,0]=4 6312 B11R0.148 CSCCOCCCOC(=O)C 7a_100000230434_100000042594 [2,0,0,0,0,0|2,0,0]=4 6313 B11R0.148 CSCCSCCCOC(=O)C 62a_100000042594_100000751147 [2,0,0,0,0,0|2,0,0]=4 6314 B11R0.148 CSCCSCCCOC(=O)C 62a_100000212216_100000042594 [2,0,0,0,0,0|2,0,0]=4 6315 B11R0.148 CSCOCCCCOC(=O)C 34a_100000073216_100011218213 [2,0,0,0,0,0|2,0,0]=4 6316 B11R0.148 CSCSCCCCOC(=O)C 62a_100000033659_100011218213 [2,0,0,0,0,0|2,0,0]=4 6317 B11R0.148 CSCSCCCCOC(=O)C 62a_100011218213_100000033659 [2,0,0,0,0,0|2,0,0]=4 6318 B13R0.66 C#CCCC(=O)CCCCCCCC 1458a_100000210188_100000753159 [1,1,0,0,0,0|0,0,1]=3 6319 B13R0.66 C#CCCC(=O)CCCCCCCC 1458a_100000692101_100000210759 [1,1,0,0,0,0|0,0,1]=3 6320 B13R0.66 C#CCCC(=O)CCCCCCCO 1458a_100000692101_100000760002 [1,1,0,0,0,0|1,0,1]=4 6321 B13R0.66 C#CCCC(=O)CCCCCCCO 1458a_100011219782_100000753159 [1,1,0,0,0,0|1,0,1]=4 6322 B13R0.66 C#CCCC(=O)CCCCCCOC 1458a_100000692101_100011998445 [1,1,0,0,0,0|1,0,1]=4 6323 B13R0.66 C#CCCC(=O)CCOCCCCC 34a_100011064465_100000718602 [1,1,0,0,0,0|1,0,1]=4 6324 B13R0.66 C#CCCC(=O)CCOCCCCC 7a_100011064465_100000210326 [1,1,0,0,0,0|1,0,1]=4 6325 B13R0.66 C#CCCC(=O)NCCCCCCC 11a_100000229938_100000692101 [1,1,0,0,0,0|1,0,1]=4 6326 B13R0.66 C#CCCC(=O)NCCCCCCC 1626a_100000229938_100000692101 [1,1,0,0,0,0|1,0,1]=4 6327 B13R0.66 C#CCCC(=O)NCCCCCCC 240690a_100000229938_100000692101 [1,1,0,0,0,0|1,0,1]=4 6328 B13R0.66 C#CCCC(=O)NCCCCCCC 527a_100000229938_100000692101 [1,1,0,0,0,0|1,0,1]=4 6329 B13R0.66 C#CCCCCCCC(=O)CCCC 1458a_100000034748_100000210211 [1,1,0,0,0,0|0,0,2]=4 6330 B13R0.66 C#CCCCCCCC(=O)CCCC 1458a_100000210183_100012276617 [1,1,0,0,0,0|0,0,2]=4 6331 B13R0.66 C#CCCCCCCC(=O)CCCF 1458a_100000034748_100011934791 [1,1,0,0,0,0|0,0,2]=4 6332 B13R0.66 C#CCCCCCCC(=O)CCCO 1458a_100000034748_100011215043 [1,1,0,0,0,0|0,0,2]=4 6333 B13R0.66 C#CCCCCCCC(=O)CCOC 1458a_100000034748_100000233755 [1,1,0,0,0,0|0,0,2]=4 6334 B13R0.66 C#CCCCCCCC(=O)CCOC 1458a_100000749529_100012276617 [1,1,0,0,0,0|0,0,2]=4 6335 B13R0.66 C#CCCCCCCC(=O)CCSC 1458a_100000034748_100000751147 [1,1,0,0,0,0|0,0,2]=4 6336 B13R0.66 C#CCCCCCCC(=O)CCSC 1458a_100000174002_100012276617 [1,1,0,0,0,0|0,0,2]=4 6337 B13R0.66 C#CCCCCCCC(=O)COCC 1458a_100000211967_100012276617 [1,1,0,0,0,0|0,0,2]=4 6338 B13R0.66 C#CCCCCCCC(=O)CSCC 1458a_100000230394_100012276617 [1,1,0,0,0,0|0,0,2]=4 6339 B13R0.66 C#CCCCCCCC(=O)NCCC 11a_100020643023_100000034748 [1,1,0,0,0,0|0,0,2]=4 6340 B13R0.66 C#CCCCCCCC(=O)NCCC 1626a_100020643023_100000034748 [1,1,0,0,0,0|0,0,2]=4 6341 B13R0.66 C#CCCCCCCC(=O)NCCC 240690a_100020643023_100000034748 [1,1,0,0,0,0|0,0,2]=4 6342 B13R0.66 C#CCCCCCCC(=O)NCCC 527a_100020643023_100000034748 [1,1,0,0,0,0|0,0,2]=4 6343 B13R0.66 C#CCNC(=O)CCCCCCCC 11a_100000212058_100000210188 [1,1,0,0,0,0|0,0,2]=4 6344 B13R0.66 C#CCNC(=O)CCCCCCCC 1626a_100000212058_100000210188 [1,1,0,0,0,0|0,0,2]=4 6345 B13R0.66 C#CCNC(=O)CCCCCCCC 240690a_100000212058_100000210188 [1,1,0,0,0,0|0,0,2]=4 6346 B13R0.66 C#CCNC(=O)CCCCCCCC 527a_100000212058_100000210188 [1,1,0,0,0,0|0,0,2]=4 6347 B13R0.66 C/C=C/CC(=O)CCCCCCCC 1458a_100000210188_100102629194 [1,1,0,0,0,0|0,0,1]=3 6348 B13R0.66 C/C=C/CC(=O)CCCCCCCO 1458a_100011219782_100102629194 [1,1,0,0,0,0|1,0,1]=4 6349 B13R0.66 C=CCCC(=O)CCCCCCCC 1458a_100000210188_100000754431 [1,1,0,0,0,0|0,0,1]=3 6350 B13R0.66 C=CCCC(=O)CCCCCCCC 1458a_100000749702_100000210759 [1,1,0,0,0,0|0,0,1]=3 6351 B13R0.66 C=CCCC(=O)CCCCCCCO 1458a_100000749702_100000760002 [1,1,0,0,0,0|1,0,1]=4 6352 B13R0.66 C=CCCC(=O)CCCCCCCO 1458a_100011219782_100000754431 [1,1,0,0,0,0|1,0,1]=4 6353 B13R0.66 C=CCCC(=O)CCCCCCOC 1458a_100000749702_100011998445 [1,1,0,0,0,0|1,0,1]=4 6354 B13R0.66 C=CCCC(=O)NCCCCCCC 11a_100000229938_100000749702 [1,1,0,0,0,0|1,0,1]=4 6355 B13R0.66 C=CCCC(=O)NCCCCCCC 1626a_100000229938_100000749702 [1,1,0,0,0,0|1,0,1]=4 6356 B13R0.66 C=CCCC(=O)NCCCCCCC 240690a_100000229938_100000749702 [1,1,0,0,0,0|1,0,1]=4 6357 B13R0.66 C=CCCC(=O)NCCCCCCC 527a_100000229938_100000749702 [1,1,0,0,0,0|1,0,1]=4 6358 B13R0.66 C=CCCCCCCC(=O)CCCC 1458a_100000210183_100011215473 [1,1,0,0,0,0|0,0,2]=4 6359 B13R0.66 C=CCCCCCCC(=O)CCCC 1458a_100011809334_100000210211 [1,1,0,0,0,0|0,0,2]=4 6360 B13R0.66 C=CCCCCCCC(=O)CCCF 1458a_100011809334_100011934791 [1,1,0,0,0,0|0,0,2]=4 6361 B13R0.66 C=CCCCCCCC(=O)CCCO 1458a_100011809334_100011215043 [1,1,0,0,0,0|0,0,2]=4 6362 B13R0.66 C=CCCCCCCC(=O)CCOC 1458a_100000749529_100011215473 [1,1,0,0,0,0|0,0,2]=4 6363 B13R0.66 C=CCCCCCCC(=O)CCOC 1458a_100011809334_100000233755 [1,1,0,0,0,0|0,0,2]=4 6364 B13R0.66 C=CCCCCCCC(=O)CCSC 1458a_100000174002_100011215473 [1,1,0,0,0,0|0,0,2]=4 6365 B13R0.66 C=CCCCCCCC(=O)CCSC 1458a_100011809334_100000751147 [1,1,0,0,0,0|0,0,2]=4 6366 B13R0.66 C=CCCCCCCC(=O)COCC 1458a_100000211967_100011215473 [1,1,0,0,0,0|0,0,2]=4 6367 B13R0.66 C=CCCCCCCC(=O)CSCC 1458a_100000230394_100011215473 [1,1,0,0,0,0|0,0,2]=4 6368 B13R0.66 C=CCCCCCCC(=O)NCCC 11a_100020643023_100011809334 [1,1,0,0,0,0|0,0,2]=4 6369 B13R0.66 C=CCCCCCCC(=O)NCCC 1626a_100020643023_100011809334 [1,1,0,0,0,0|0,0,2]=4 6370 B13R0.66 C=CCCCCCCC(=O)NCCC 240690a_100020643023_100011809334 [1,1,0,0,0,0|0,0,2]=4 6371 B13R0.66 C=CCCCCCCC(=O)NCCC 527a_100020643023_100011809334 [1,1,0,0,0,0|0,0,2]=4 6372 B13R0.66 C=CCNC(=O)CCCCCCCC 1626a_100020586998_100000210188 [1,1,0,0,0,0|0,0,2]=4 6373 B13R0.66 C=CCNC(=O)CCCCCCCC 240690a_100020586998_100000210188 [1,1,0,0,0,0|0,0,2]=4 6374 B13R0.66 C=CCNC(=O)CCCCCCCC 527a_100020586998_100000210188 [1,1,0,0,0,0|0,0,2]=4 6375 B13R0.66 CC#CCC(=O)CCCCCCCC 1458a_100000210188_100000748600 [1,1,0,0,0,0|0,0,1]=3 6376 B13R0.66 CC#CCC(=O)CCCCCCCO 1458a_100011219782_100000748600 [1,1,0,0,0,0|1,0,1]=4 6377 B13R0.66 CC=CCC(=O)CCCCCCCC 1458a_100000210188_100000070051 [1,1,0,0,0,0|0,0,1]=3 6378 B13R0.66 CC=CCC(=O)CCCCCCCC 1458a_100121576822_100000210759 [1,1,0,0,0,0|0,0,1]=3 6379 B13R0.66 CC=CCC(=O)CCCCCCCO 1458a_100011219782_100000070051 [1,1,0,0,0,0|1,0,1]=4 6380 B13R0.66 CC=CCC(=O)CCCCCCCO 1458a_100121576822_100000760002 [1,1,0,0,0,0|1,0,1]=4 6381 B13R0.66 CC=CCC(=O)CCCCCCOC 1458a_100121576822_100011998445 [1,1,0,0,0,0|1,0,1]=4 6382 B13R0.66 CC=CCC(=O)NCCCCCCC 11a_100000229938_100121576822 [1,1,0,0,0,0|1,0,1]=4 6383 B13R0.66 CC=CCC(=O)NCCCCCCC 1626a_100000229938_100121576822 [1,1,0,0,0,0|1,0,1]=4 6384 B13R0.66 CC=CCC(=O)NCCCCCCC 240690a_100000229938_100121576822 [1,1,0,0,0,0|1,0,1]=4 6385 B13R0.66 CC=CCC(=O)NCCCCCCC 527a_100000229938_100121576822 [1,1,0,0,0,0|1,0,1]=4 6386 B13R0.66 CCC#CC(=O)CCCCCCCC 1458a_100011827653_100000210759 [1,1,0,0,0,0|0,0,1]=3 6387 B13R0.66 CCC#CC(=O)CCCCCCCO 1458a_100011827653_100000760002 [1,1,0,0,0,0|1,0,1]=4 6388 B13R0.66 CCC#CC(=O)CCCCCCOC 1458a_100011827653_100011998445 [1,1,0,0,0,0|1,0,1]=4 6389 B13R0.66 CCC=CC(=O)CCCCCCCC 1458a_100000212282_100000210759 [1,1,0,0,0,0|0,0,1]=3 6390 B13R0.66 CCC=CC(=O)CCCCCCCO 1458a_100000212282_100000760002 [1,1,0,0,0,0|1,0,1]=4 6391 B13R0.66 CCC=CC(=O)CCCCCCOC 1458a_100000212282_100011998445 [1,1,0,0,0,0|1,0,1]=4 6392 B13R0.66 CCC=CC(=O)NCCCCCCC 11a_100000229938_100000212282 [1,1,0,0,0,0|1,0,1]=4 6393 B13R0.66 CCC=CC(=O)NCCCCCCC 1626a_100000229938_100000212282 [1,1,0,0,0,0|1,0,1]=4 6394 B13R0.66 CCC=CC(=O)NCCCCCCC 240690a_100000229938_100000212282 [1,1,0,0,0,0|1,0,1]=4 6395 B13R0.66 CCCCC(=O)CCCCCCC#N 1458a_100000210183_100009813337 [1,1,0,0,0,0|1,0,1]=4 6396 B13R0.66 CCCCC(=O)CCCCCCCO 1458a_100000210183_100000760002 [1,1,0,0,0,0|1,0,0]=3 6397 B13R0.66 CCCCC(=O)CCCCCCCO 1458a_100011219782_100000210211 [1,1,0,0,0,0|1,0,0]=3 6398 B13R0.66 CCCCC(=O)CCCCCCOC 1458a_100000210183_100011998445 [1,1,0,0,0,0|1,0,0]=3 6399 B13R0.66 CCCCC(=O)CCCOCCOC 1458a_100000210183_100011216529 [1,1,0,0,0,0|2,0,0]=4 6400 B13R0.66 CCCCC(=O)CCOCCOCC 1458a_100000210183_100011211534 [1,1,0,0,0,0|2,0,0]=4 6401 B13R0.66 CCCCC(=O)NCCCCCCO 240690a_100000686447_100000210183 [1,1,0,0,0,0|2,0,0]=4 6402 B13R0.66 CCCCC(=O)NCCCCCCO 527a_100000686447_100000210183 [1,1,0,0,0,0|2,0,0]=4 6403 B13R0.66 CCCCC(=O)NCCCCCOC 11a_100000747528_100000210183 [1,1,0,0,0,0|2,0,0]=4 6404 B13R0.66 CCCCC(=O)NCCCCCOC 1626a_100000747528_100000210183 [1,1,0,0,0,0|2,0,0]=4 6405 B13R0.66 CCCCC(=O)NCCCCCOC 240690a_100000747528_100000210183 [1,1,0,0,0,0|2,0,0]=4 6406 B13R0.66 CCCCC(=O)NCCCCCOC 527a_100000747528_100000210183 [1,1,0,0,0,0|2,0,0]=4 6407 B13R0.66 CCCCC(=O)NCCCOCCC 1626a_100011217757_100000210183 [1,1,0,0,0,0|2,0,0]=4 6408 B13R0.66 CCCCC(=O)NCCCOCCC 240690a_100011217757_100000210183 [1,1,0,0,0,0|2,0,0]=4 6409 B13R0.66 CCCCC(=O)NCCCOCCC 527a_100011217757_100000210183 [1,1,0,0,0,0|2,0,0]=4 6410 B13R0.66 CCCCC/C=C/CC(=O)CCCC 1458a_100020675968_100000210211 [1,1,0,0,0,0|0,0,2]=4 6411 B13R0.66 CCCCC/C=C/CC(=O)CCCF 1458a_100020675968_100011934791 [1,1,0,0,0,0|0,0,2]=4 6412 B13R0.66 CCCCC/C=C/CC(=O)CCCO 1458a_100020675968_100011215043 [1,1,0,0,0,0|0,0,2]=4 6413 B13R0.66 CCCCC/C=C/CC(=O)CCOC 1458a_100020675968_100000233755 [1,1,0,0,0,0|0,0,2]=4 6414 B13R0.66 CCCCC/C=C/CC(=O)CCSC 1458a_100020675968_100000751147 [1,1,0,0,0,0|0,0,2]=4 6415 B13R0.66 CCCCC/C=C/CC(=O)NCCC 11a_100020643023_100020675968 [1,1,0,0,0,0|0,0,2]=4 6416 B13R0.66 CCCCC/C=C/CC(=O)NCCC 1626a_100020643023_100020675968 [1,1,0,0,0,0|0,0,2]=4 6417 B13R0.66 CCCCC/C=C/CC(=O)NCCC 240690a_100020643023_100020675968 [1,1,0,0,0,0|0,0,2]=4 6418 B13R0.66 CCCCCC#CCC(=O)CCCC 1458a_100000210183_100009816472 [1,1,0,0,0,0|0,0,2]=4 6419 B13R0.66 CCCCCC#CCC(=O)CCOC 1458a_100000749529_100009816472 [1,1,0,0,0,0|0,0,2]=4 6420 B13R0.66 CCCCCC#CCC(=O)CCSC 1458a_100000174002_100009816472 [1,1,0,0,0,0|0,0,2]=4 6421 B13R0.66 CCCCCC#CCC(=O)COCC 1458a_100000211967_100009816472 [1,1,0,0,0,0|0,0,2]=4 6422 B13R0.66 CCCCCC#CCC(=O)CSCC 1458a_100000230394_100009816472 [1,1,0,0,0,0|0,0,2]=4 6423 B13R0.66 CCCCCCC=CC(=O)CCCC 1458a_200015324643_100000210211 [1,1,0,0,0,0|0,0,2]=4 6424 B13R0.66 CCCCCCC=CC(=O)CCCF 1458a_200015324643_100011934791 [1,1,0,0,0,0|0,0,2]=4 6425 B13R0.66 CCCCCCC=CC(=O)CCCO 1458a_200015324643_100011215043 [1,1,0,0,0,0|0,0,2]=4 6426 B13R0.66 CCCCCCC=CC(=O)CCOC 1458a_200015324643_100000233755 [1,1,0,0,0,0|0,0,2]=4 6427 B13R0.66 CCCCCCC=CC(=O)CCSC 1458a_200015324643_100000751147 [1,1,0,0,0,0|0,0,2]=4 6428 B13R0.66 CCCCCCC=CC(=O)NCCC 11a_100020643023_200015324643 [1,1,0,0,0,0|0,0,2]=4 6429 B13R0.66 CCCCCCC=CC(=O)NCCC 1626a_100020643023_200015324643 [1,1,0,0,0,0|0,0,2]=4 6430 B13R0.66 CCCCCCC=CC(=O)NCCC 240690a_100020643023_200015324643 [1,1,0,0,0,0|0,0,2]=4 6431 B13R0.66 CCCCCCCCC(=NNCC)C 4a_100000756455_100011216694 [1,1,0,0,0,0|2,0,0]=4 6432 B13R0.66 CCCCCCCCC(=O)C#CCO 1458a_100000049017_100000210759 [1,1,0,0,0,0|0,0,2]=4 6433 B13R0.66 CCCCCCCCC(=O)C=COC 1458a_100016268678_100000210759 [1,1,0,0,0,0|0,0,2]=4 6434 B13R0.66 CCCCCCCCC(=O)CCC#N 1458a_100000210188_100011215226 [1,1,0,0,0,0|0,0,1]=3 6435 B13R0.66 CCCCCCCCC(=O)CCC#N 1458a_100011934036_100000210759 [1,1,0,0,0,0|0,0,1]=3 6436 B13R0.66 CCCCCCCCC(=O)CCCC 1458a_100000210183_100000210759 [1,1,0,0,0,0|0,0,0]=2 6437 B13R0.66 CCCCCCCCC(=O)CCCC 1458a_100000210188_100000210211 [1,1,0,0,0,0|0,0,0]=2 6438 B13R0.66 CCCCCCCCC(=O)CCCF 1458a_100000210188_100011934791 [1,1,0,0,0,0|0,0,0]=2 6439 B13R0.66 CCCCCCCCC(=O)CCCO 1458a_100000210188_100011215043 [1,1,0,0,0,0|0,0,0]=2 6440 B13R0.66 CCCCCCCCC(=O)CCOC 1458a_100000210188_100000233755 [1,1,0,0,0,0|0,0,0]=2 6441 B13R0.66 CCCCCCCCC(=O)CCOC 1458a_100000749529_100000210759 [1,1,0,0,0,0|0,0,0]=2 6442 B13R0.66 CCCCCCCCC(=O)CCSC 1458a_100000174002_100000210759 [1,1,0,0,0,0|0,0,0]=2 6443 B13R0.66 CCCCCCCCC(=O)CCSC 1458a_100000210188_100000751147 [1,1,0,0,0,0|0,0,0]=2 6444 B13R0.66 CCCCCCCCC(=O)COCC 1458a_100000211967_100000210759 [1,1,0,0,0,0|0,0,0]=2 6445 B13R0.66 CCCCCCCCC(=O)CSCC 1458a_100000230394_100000210759 [1,1,0,0,0,0|0,0,0]=2 6446 B13R0.66 CCCCCCCCC(=O)NCC#N 1626a_100000734998_100000210188 [1,1,0,0,0,0|1,0,1]=4 6447 B13R0.66 CCCCCCCCC(=O)NCC#N 527a_100000734998_100000210188 [1,1,0,0,0,0|1,0,1]=4 6448 B13R0.66 CCCCCCCCC(=O)NCCC 11a_100020643023_100000210188 [1,1,0,0,0,0|0,0,0]=2 6449 B13R0.66 CCCCCCCCC(=O)NCCC 1626a_100020643023_100000210188 [1,1,0,0,0,0|0,0,0]=2 6450 B13R0.66 CCCCCCCCC(=O)NCCC 240690a_100020643023_100000210188 [1,1,0,0,0,0|0,0,0]=2 6451 B13R0.66 CCCCCCCCC(=O)NCCC 527a_100020643023_100000210188 [1,1,0,0,0,0|0,0,0]=2 6452 B13R0.66 CCCCCCCCC(=O)NCCF 11a_100000724931_100000210188 [1,1,0,0,0,0|1,0,0]=3 6453 B13R0.66 CCCCCCCCC(=O)NCCF 1626a_100000724931_100000210188 [1,1,0,0,0,0|1,0,0]=3 6454 B13R0.66 CCCCCCCCC(=O)NCCF 240690a_100000724931_100000210188 [1,1,0,0,0,0|1,0,0]=3 6455 B13R0.66 CCCCCCCCC(=O)NCCF 527a_100000724931_100000210188 [1,1,0,0,0,0|1,0,0]=3 6456 B13R0.66 CCCCCCCCC(=O)NCCO 240690a_100000210304_100000210188 [1,1,0,0,0,0|1,0,0]=3 6457 B13R0.66 CCCCCCCCC(=O)NCCO 527a_100000210304_100000210188 [1,1,0,0,0,0|1,0,0]=3 6458 B13R0.66 CCCCCCCCC(=O)NNCC 22a_100000756455_100000210188 [1,1,0,0,0,0|1,0,0]=3 6459 B13R0.66 CCCCCCCCC(C)CNCC 270004a_100015525214_100011995885 [1,1,0,0,0,0|1,0,1]=4 6460 B13R0.66 CCCCCCCCC(C)COCC 34a_200012125181_100000210202 [1,1,0,0,0,0|1,0,1]=4 6461 B13R0.66 CCCCCCCCC(C)COCC 7a_200012125181_100000210202 [1,1,0,0,0,0|1,0,1]=4 6462 B13R0.66 CCCCCCCCC(C)NCCC 270004a_100020643023_100011216694 [1,1,0,0,0,0|1,0,1]=4 6463 B13R0.66 CCCCCCCCC(C)OCCC 34a_100000210740_100000210303 [1,1,0,0,0,0|1,0,1]=4 6464 B13R0.66 CCCCCCCCC(C)OCCC 7a_100000210740_100000210303 [1,1,0,0,0,0|1,0,1]=4 6465 B13R0.66 CCCCCCCCN(C)CCCC 2230a_100000207549_100000210759 [1,1,0,0,0,0|2,0,0]=4 6466 B13R0.66 CCCCCCCCN(C)CCCC 2230a_100000207567_100000210211 [1,1,0,0,0,0|2,0,0]=4 6467 B13R0.66 CCCCCCCCN(C)CCCC 269982a_100000207549_100000210759 [1,1,0,0,0,0|2,0,0]=4 6468 B13R0.66 CCCCCCCCN(C)CCCC 269982a_100000207567_100000210211 [1,1,0,0,0,0|2,0,0]=4 6469 B13R0.66 CCCCCCCCN(C)CCCF 2230a_100000207567_100011934791 [1,1,0,0,0,0|2,0,0]=4 6470 B13R0.66 CCCCCCCCN(C)CCCF 269982a_100000207567_100011934791 [1,1,0,0,0,0|2,0,0]=4 6471 B13R0.66 CCCCCCCCN(C)CCCO 2230a_100000207567_100000230001 [1,1,0,0,0,0|2,0,0]=4 6472 B13R0.66 CCCCCCCCN(C)CCCO 2230a_100000213112_100000210759 [1,1,0,0,0,0|2,0,0]=4 6473 B13R0.66 CCCCCCCCN(C)CCCO 269982a_100000207567_100011215043 [1,1,0,0,0,0|2,0,0]=4 6474 B13R0.66 CCCCCCCCN(C)CCCO 269982a_100000213112_100000210759 [1,1,0,0,0,0|2,0,0]=4 6475 B13R0.66 CCCCCCCCN(C)CCOC 2230a_100000207567_100011201679 [1,1,0,0,0,0|2,0,0]=4 6476 B13R0.66 CCCCCCCCN(C)CCOC 2230a_100000743101_100000210759 [1,1,0,0,0,0|2,0,0]=4 6477 B13R0.66 CCCCCCCCN(C)CCOC 269982a_100000207567_100000233755 [1,1,0,0,0,0|2,0,0]=4 6478 B13R0.66 CCCCCCCCN(C)CCOC 269982a_100000743101_100000210759 [1,1,0,0,0,0|2,0,0]=4 6479 B13R0.66 CCCCCCCCN(C)CCSC 2230a_100000207567_100000751147 [1,1,0,0,0,0|2,0,0]=4 6480 B13R0.66 CCCCCCCCN(C)CCSC 2230a_100000686725_100000210759 [1,1,0,0,0,0|2,0,0]=4 6481 B13R0.66 CCCCCCCCN(C)CCSC 269982a_100000207567_100000212216 [1,1,0,0,0,0|2,0,0]=4 6482 B13R0.66 CCCCCCCCN(C)CCSC 269982a_100000686725_100000210759 [1,1,0,0,0,0|2,0,0]=4 6483 B13R0.66 CCCCCCCCN(C)COCC 269982a_100000207567_100000739092 [1,1,0,0,0,0|2,0,0]=4 6484 B13R0.66 CCCCCCCNC(=O)CCC#N 11a_100000229938_100011934036 [1,1,0,0,0,0|1,0,1]=4 6485 B13R0.66 CCCCCCCNC(=O)CCC#N 1626a_100000229938_100011934036 [1,1,0,0,0,0|1,0,1]=4 6486 B13R0.66 CCCCCCCNC(=O)CCC#N 240690a_100000229938_100011934036 [1,1,0,0,0,0|1,0,1]=4 6487 B13R0.66 CCCCCCCNC(=O)CCC#N 527a_100000229938_100011934036 [1,1,0,0,0,0|1,0,1]=4 6488 B13R0.66 CCCCCCCNC(=O)CCCC 11a_100000229938_100000210183 [1,1,0,0,0,0|1,0,0]=3 6489 B13R0.66 CCCCCCCNC(=O)CCCC 1626a_100000229938_100000210183 [1,1,0,0,0,0|1,0,0]=3 6490 B13R0.66 CCCCCCCNC(=O)CCCC 240690a_100000229938_100000210183 [1,1,0,0,0,0|1,0,0]=3 6491 B13R0.66 CCCCCCCNC(=O)CCCC 527a_100000229938_100000210183 [1,1,0,0,0,0|1,0,0]=3 6492 B13R0.66 CCCCCCCNC(=O)CCOC 11a_100000229938_100000749529 [1,1,0,0,0,0|1,0,0]=3 6493 B13R0.66 CCCCCCCNC(=O)CCOC 1626a_100000229938_100000749529 [1,1,0,0,0,0|1,0,0]=3 6494 B13R0.66 CCCCCCCNC(=O)CCOC 240690a_100000229938_100000749529 [1,1,0,0,0,0|1,0,0]=3 6495 B13R0.66 CCCCCCCNC(=O)CCOC 527a_100000229938_100000749529 [1,1,0,0,0,0|1,0,0]=3 6496 B13R0.66 CCCCCCCNC(=O)CCSC 11a_100000229938_100000174002 [1,1,0,0,0,0|1,0,0]=3 6497 B13R0.66 CCCCCCCNC(=O)CCSC 1626a_100000229938_100000174002 [1,1,0,0,0,0|1,0,0]=3 6498 B13R0.66 CCCCCCCNC(=O)CCSC 240690a_100000229938_100000174002 [1,1,0,0,0,0|1,0,0]=3 6499 B13R0.66 CCCCCCCNC(=O)CCSC 527a_100000229938_100000174002 [1,1,0,0,0,0|1,0,0]=3 6500 B13R0.66 CCCCCCCNC(=O)COCC 11a_100000229938_100000211967 [1,1,0,0,0,0|1,0,0]=3 6501 B13R0.66 CCCCCCCNC(=O)COCC 1626a_100000229938_100000211967 [1,1,0,0,0,0|1,0,0]=3 6502 B13R0.66 CCCCCCCNC(=O)COCC 240690a_100000229938_100000211967 [1,1,0,0,0,0|1,0,0]=3 6503 B13R0.66 CCCCCCCNC(=O)COCC 527a_100000229938_100000211967 [1,1,0,0,0,0|1,0,0]=3 6504 B13R0.66 CCCCCCCNC(=O)CSCC 11a_100000229938_100000230394 [1,1,0,0,0,0|1,0,0]=3 6505 B13R0.66 CCCCCCCNC(=O)CSCC 1626a_100000229938_100000230394 [1,1,0,0,0,0|1,0,0]=3 6506 B13R0.66 CCCCCCCNC(=O)CSCC 240690a_100000229938_100000230394 [1,1,0,0,0,0|1,0,0]=3 6507 B13R0.66 CCCCCCCNC(=O)CSCC 527a_100000229938_100000230394 [1,1,0,0,0,0|1,0,0]=3 6508 B13R0.66 CCCCCCCNC(=O)NCCC 2708a_100000229938_100020643023 [1,1,0,0,0,0|1,0,0]=3 6509 B13R0.66 CCCCCCCNC(=O)NCCC 2708a_100020643023_100000229938 [1,1,0,0,0,0|1,0,0]=3 6510 B13R0.66 CCCCCCCNC(=O)NCCC 273464a_100000229938_100020643023 [1,1,0,0,0,0|1,0,0]=3 6511 B13R0.66 CCCCCCCNC(=O)NCCC 273464a_100020643023_100000229938 [1,1,0,0,0,0|1,0,0]=3 6512 B13R0.66 CCCCCCCNC(=O)NCCC 512a_100000229938_100020643023 [1,1,0,0,0,0|1,0,0]=3 6513 B13R0.66 CCCCCCCNC(=O)NCCC 512a_100020643023_100000229938 [1,1,0,0,0,0|1,0,0]=3 6514 B13R0.66 CCCCCCCNC(=O)NCCF 2708a_100000229938_100000724931 [1,1,0,0,0,0|2,0,0]=4 6515 B13R0.66 CCCCCCCNC(=O)NCCF 273464a_100000229938_100000724931 [1,1,0,0,0,0|2,0,0]=4 6516 B13R0.66 CCCCCCCNC(=O)NCCF 273464a_100000724931_100000229938 [1,1,0,0,0,0|2,0,0]=4 6517 B13R0.66 CCCCCCCNC(=O)NCCF 512a_100000229938_100000724931 [1,1,0,0,0,0|2,0,0]=4 6518 B13R0.66 CCCCCCCNC(=O)NCCO 2708a_100000229938_100000210304 [1,1,0,0,0,0|2,0,0]=4 6519 B13R0.66 CCCCCCCNC(=O)NCCO 273464a_100000210304_100000229938 [1,1,0,0,0,0|2,0,0]=4 6520 B13R0.66 CCCCCCCNC(=O)NCCO 273464a_100000229938_100000210304 [1,1,0,0,0,0|2,0,0]=4 6521 B13R0.66 CCCCCCCNC(=O)NCCO 512a_100000229938_100000210304 [1,1,0,0,0,0|2,0,0]=4 6522 B13R0.66 CCCCCCCNC(=O)NNCC 273464a_100000229938_100000756455 [1,1,0,0,0,0|2,0,0]=4 6523 B13R0.66 CCCCCCCNC(=O)NNCC 512a_100000229938_100000756455 [1,1,0,0,0,0|2,0,0]=4 6524 B13R0.66 CCCCCCCNC(=O)NNCC 512a_100000756455_100000229938 [1,1,0,0,0,0|2,0,0]=4 6525 B13R0.66 CCCCCCCOC(C)CCCC 34a_100000210272_200011215066 [1,1,0,0,0,0|1,0,1]=4 6526 B13R0.66 CCCCCCCOC(C)CCCC 34a_100000687866_100000210614 [1,1,0,0,0,0|1,0,1]=4 6527 B13R0.66 CCCCCCCOC(C)CCCC 7a_100000210272_200011215066 [1,1,0,0,0,0|1,0,1]=4 6528 B13R0.66 CCCCCCCOC(C)CCCC 7a_100000687866_100000210614 [1,1,0,0,0,0|1,0,1]=4 6529 B13R0.66 CCCCCCCOC(C)CCCCl 34a_200000718107_100000210614 [1,1,0,0,0,0|1,0,1]=4 6530 B13R0.66 CCCCCCCOC(C)CCCCl 7a_200000718107_100000210614 [1,1,0,0,0,0|1,0,1]=4 6531 B13R0.66 CCCCCCCOC(C)COCC 34a_100000718985_100000210614 [1,1,0,0,0,0|1,0,1]=4 6532 B13R0.66 CCCCCCCOC(C)COCC 7a_100000718985_100000210614 [1,1,0,0,0,0|1,0,1]=4 6533 B13R0.66 CCCCCCNCC(=O)NCCC 2230a_100000174927_100000210314 [1,1,0,0,0,0|1,0,0]=3 6534 B13R0.66 CCCCCCNCC(=O)NCCC 2230a_100000210581_100000183358 [1,1,0,0,0,0|1,0,0]=3 6535 B13R0.66 CCCCCCNCC(=O)NCCF 2230a_100000725713_100000210314 [1,1,0,0,0,0|2,0,0]=4 6536 B13R0.66 CCCCCCNCC(=O)OCCC 2230a_100000210581_200011215008 [1,1,0,0,0,0|1,0,0]=3 6537 B13R0.66 CCCCCCOCC(=O)NCCC 34a_100000210259_100000183358 [1,1,0,0,0,0|1,0,0]=3 6538 B13R0.66 CCCCCCOCC(=O)NCCC 7a_100000210259_100000183358 [1,1,0,0,0,0|1,0,0]=3 6539 B13R0.66 CCCCCCOCC(=O)OCCC 34a_100000210259_200011215008 [1,1,0,0,0,0|1,0,0]=3 6540 B13R0.66 CCCCCCOCC(=O)OCCC 7a_100000210259_200011215008 [1,1,0,0,0,0|1,0,0]=3 6541 B13R0.66 CCCCCCSCC(=O)NCCC 62a_100000183358_100000210757 [1,1,0,0,0,0|1,0,0]=3 6542 B13R0.66 CCCCCCSCC(=O)NCCC 62a_100000210314_100000183358 [1,1,0,0,0,0|1,0,0]=3 6543 B13R0.66 CCCCCCSCC(=O)OCCC 62a_100000210314_200011215008 [1,1,0,0,0,0|1,0,0]=3 6544 B13R0.66 CCCCCCSCC(=O)OCCC 62a_200011215008_100000210757 [1,1,0,0,0,0|1,0,0]=3 6545 B13R0.66 CCCCCOCOC(=O)OCCC 34a_100000210253_200000139673 [1,1,0,0,0,0|1,0,0]=3 6546 B13R0.66 CCCCCOCOC(=O)OCCC 7a_100000210253_200000139673 [1,1,0,0,0,0|1,0,0]=3 6547 B13R0.66 CCCCCSCOC(=O)OCCC 62a_100000210326_200000139673 [1,1,0,0,0,0|1,0,0]=3 6548 B13R0.66 CCCCNCCCC(=O)NCCC 2230a_100000102301_100011194427 [1,1,0,0,0,0|1,0,0]=3 6549 B13R0.66 CCCCNCCCC(=O)NCCC 7a_106832991798_100011194427 [1,1,0,0,0,0|1,0,0]=3 6550 B13R0.66 CCCCOCCCC(=O)NCCC 7a_100000210227_100011194427 [1,1,0,0,0,0|1,0,0]=3 6551 B13R0.66 CCCCOCNCC(=O)NCCC 2230a_100000174927_100011995733 [1,1,0,0,0,0|2,0,0]=4 6552 B13R0.66 CCCCOCSCC(=O)NCCC 62a_100000183358_100011995733 [1,1,0,0,0,0|2,0,0]=4 6553 B13R0.66 CCCCOCSCC(=O)NCCC 62a_100011995733_100000183358 [1,1,0,0,0,0|2,0,0]=4 6554 B13R0.66 CCCCOCSCC(=O)OCCC 62a_100011995733_200011215008 [1,1,0,0,0,0|2,0,0]=4 6555 B13R0.66 CCCCOCSCC(=O)OCCC 62a_200011215008_100011995733 [1,1,0,0,0,0|2,0,0]=4 6556 B13R0.66 CCCCSCCCC(=O)NCCC 62a_100000210211_100011194427 [1,1,0,0,0,0|1,0,0]=3 6557 B13R0.66 CCCCSCCCC(=O)NCCC 62a_100011194427_100000210210 [1,1,0,0,0,0|1,0,0]=3 6558 B13R0.66 CCCCSCCNC(=O)CCCC 11a_100025743550_100000210183 [1,1,0,0,0,0|2,0,0]=4 6559 B13R0.66 CCCCSCCNC(=O)CCCC 1626a_100025743550_100000210183 [1,1,0,0,0,0|2,0,0]=4 6560 B13R0.66 CCCCSCCNC(=O)CCCC 240690a_100025743550_100000210183 [1,1,0,0,0,0|2,0,0]=4 6561 B13R0.66 CCCCSCCNC(=O)CCCC 527a_100025743550_100000210183 [1,1,0,0,0,0|2,0,0]=4 6562 B13R0.66 CCCCSCCNC(=O)CCOC 11a_100025743550_100000749529 [1,1,0,0,0,0|2,0,0]=4 6563 B13R0.66 CCCCSCCNC(=O)CCOC 1626a_100025743550_100000749529 [1,1,0,0,0,0|2,0,0]=4 6564 B13R0.66 CCCCSCCNC(=O)CCOC 240690a_100025743550_100000749529 [1,1,0,0,0,0|2,0,0]=4 6565 B13R0.66 CCCCSCCNC(=O)CCOC 527a_100025743550_100000749529 [1,1,0,0,0,0|2,0,0]=4 6566 B13R0.66 CCCCSCCNC(=O)CCSC 11a_100025743550_100000174002 [1,1,0,0,0,0|2,0,0]=4 6567 B13R0.66 CCCCSCCNC(=O)CCSC 1626a_100025743550_100000174002 [1,1,0,0,0,0|2,0,0]=4 6568 B13R0.66 CCCCSCCNC(=O)CCSC 240690a_100025743550_100000174002 [1,1,0,0,0,0|2,0,0]=4 6569 B13R0.66 CCCCSCCNC(=O)CCSC 527a_100025743550_100000174002 [1,1,0,0,0,0|2,0,0]=4 6570 B13R0.66 CCCCSCCNC(=O)COCC 11a_100025743550_100000211967 [1,1,0,0,0,0|2,0,0]=4 6571 B13R0.66 CCCCSCCNC(=O)COCC 1626a_100025743550_100000211967 [1,1,0,0,0,0|2,0,0]=4 6572 B13R0.66 CCCCSCCNC(=O)COCC 240690a_100025743550_100000211967 [1,1,0,0,0,0|2,0,0]=4 6573 B13R0.66 CCCCSCCNC(=O)COCC 527a_100025743550_100000211967 [1,1,0,0,0,0|2,0,0]=4 6574 B13R0.66 CCCCSCCNC(=O)CSCC 11a_100025743550_100000230394 [1,1,0,0,0,0|2,0,0]=4 6575 B13R0.66 CCCCSCCNC(=O)CSCC 1626a_100025743550_100000230394 [1,1,0,0,0,0|2,0,0]=4 6576 B13R0.66 CCCCSCCNC(=O)CSCC 240690a_100025743550_100000230394 [1,1,0,0,0,0|2,0,0]=4 6577 B13R0.66 CCCCSCCNC(=O)CSCC 527a_100025743550_100000230394 [1,1,0,0,0,0|2,0,0]=4 6578 B13R0.66 CCCCSCCNC(=O)NCCC 2708a_100020643023_100025743550 [1,1,0,0,0,0|2,0,0]=4 6579 B13R0.66 CCCCSCCNC(=O)NCCC 2708a_100025743550_100020643023 [1,1,0,0,0,0|2,0,0]=4 6580 B13R0.66 CCCCSCCNC(=O)NCCC 273464a_100020643023_100025743550 [1,1,0,0,0,0|2,0,0]=4 6581 B13R0.66 CCCCSCCNC(=O)NCCC 273464a_100025743550_100020643023 [1,1,0,0,0,0|2,0,0]=4 6582 B13R0.66 CCCCSCCNC(=O)NCCC 512a_100020643023_100025743550 [1,1,0,0,0,0|2,0,0]=4 6583 B13R0.66 CCCCSCCNC(=O)NCCC 512a_100025743550_100020643023 [1,1,0,0,0,0|2,0,0]=4 6584 B13R0.66 CCCNC(=O)CCCCCCCO 240690a_100020643023_100011219782 [1,1,0,0,0,0|1,0,0]=3 6585 B13R0.66 CCCNC(=O)CCCNCCCF 2230a_100015189416_100011194427 [1,1,0,0,0,0|2,0,0]=4 6586 B13R0.66 CCCNC(=O)CCCNCCOC 2230a_100000209980_100011194427 [1,1,0,0,0,0|2,0,0]=4 6587 B13R0.66 CCCNC(=O)CCCNCCSC 2230a_100020590264_100011194427 [1,1,0,0,0,0|2,0,0]=4 6588 B13R0.66 CCCNC(=O)CCCOCCSC 7a_100000230434_100011194427 [1,1,0,0,0,0|2,0,0]=4 6589 B13R0.66 CCCNC(=O)CCCSCCCF 62a_100011194427_100011934791 [1,1,0,0,0,0|2,0,0]=4 6590 B13R0.66 CCCNC(=O)CCCSCCCF 62a_100011934791_100011194427 [1,1,0,0,0,0|2,0,0]=4 6591 B13R0.66 CCCNC(=O)CCCSCCCO 62a_100011194427_100011215043 [1,1,0,0,0,0|2,0,0]=4 6592 B13R0.66 CCCNC(=O)CCCSCCCO 62a_100011215043_100011194427 [1,1,0,0,0,0|2,0,0]=4 6593 B13R0.66 CCCNC(=O)CCCSCCOC 62a_100000233755_100011194427 [1,1,0,0,0,0|2,0,0]=4 6594 B13R0.66 CCCNC(=O)CCCSCCOC 62a_100011194427_100000233755 [1,1,0,0,0,0|2,0,0]=4 6595 B13R0.66 CCCNC(=O)CCCSCCSC 62a_100000212216_100011194427 [1,1,0,0,0,0|2,0,0]=4 6596 B13R0.66 CCCNC(=O)CCCSCCSC 62a_100011194427_100000751147 [1,1,0,0,0,0|2,0,0]=4 6597 B13R0.66 CCCNC(=O)CCCSCOCC 62a_100000739092_100011194427 [1,1,0,0,0,0|2,0,0]=4 6598 B13R0.66 CCCNC(=O)CCCSCOCC 62a_100011194427_100000739092 [1,1,0,0,0,0|2,0,0]=4 6599 B13R0.66 CCCNC(=O)CNCCCCCF 2230a_100000174927_100000729378 [1,1,0,0,0,0|2,0,0]=4 6600 B13R0.66 CCCNC(=O)CNCCCCCO 2230a_100000174927_100000746330 [1,1,0,0,0,0|2,0,0]=4 6601 B13R0.66 CCCNC(=O)CNCCCCCO 2230a_100000762737_100000183358 [1,1,0,0,0,0|2,0,0]=4 6602 B13R0.66 CCCNC(=O)CNCCCCCO 34a_100000762737_100000183358 [1,1,0,0,0,0|2,0,0]=4 6603 B13R0.66 CCCNC(=O)CNCCCCOC 2230a_100000174927_100000730899 [1,1,0,0,0,0|2,0,0]=4 6604 B13R0.66 CCCNC(=O)CNCCCOCC 2230a_100000174927_100012232248 [1,1,0,0,0,0|2,0,0]=4 6605 B13R0.66 CCCNC(=O)CNCCCOCC 2230a_100000210961_100000183358 [1,1,0,0,0,0|2,0,0]=4 6606 B13R0.66 CCCNC(=O)CNCCCOCC 34a_100000210961_100000183358 [1,1,0,0,0,0|2,0,0]=4 6607 B13R0.66 CCCNC(=O)CNCCOCCC 2230a_100000174927_100011215938 [1,1,0,0,0,0|2,0,0]=4 6608 B13R0.66 CCCNC(=O)CNCCOCCC 2230a_100161115042_100000183358 [1,1,0,0,0,0|2,0,0]=4 6609 B13R0.66 CCCNC(=O)CNCCOCCC 34a_100161115042_100000183358 [1,1,0,0,0,0|2,0,0]=4 6610 B13R0.66 CCCNC(=O)CNCCSCCC 2230a_100020603323_100000183358 [1,1,0,0,0,0|2,0,0]=4 6611 B13R0.66 CCCNC(=O)COCCCCCBr 34a_100000746331_100000183358 [1,1,0,0,0,0|2,0,0]=4 6612 B13R0.66 CCCNC(=O)COCCCCCBr 7a_100000746331_100000183358 [1,1,0,0,0,0|2,0,0]=4 6613 B13R0.66 CCCNC(=O)COCCCCCCl 34a_100000746330_100000183358 [1,1,0,0,0,0|2,0,0]=4 6614 B13R0.66 CCCNC(=O)COCCCCCCl 7a_100000746330_100000183358 [1,1,0,0,0,0|2,0,0]=4 6615 B13R0.66 CCCNC(=O)COCCCCCI 34a_200012148887_100000183358 [1,1,0,0,0,0|2,0,0]=4 6616 B13R0.66 CCCNC(=O)COCCCCCI 7a_200012148887_100000183358 [1,1,0,0,0,0|2,0,0]=4 6617 B13R0.66 CCCNC(=O)COCCCCCN 34a_100000762737_100000183358 [1,1,0,0,0,0|2,0,0]=4 6618 B13R0.66 CCCNC(=O)COCCCCOC 34a_100000740925_100000183358 [1,1,0,0,0,0|2,0,0]=4 6619 B13R0.66 CCCNC(=O)COCCCCSC 34a_100011217163_100000183358 [1,1,0,0,0,0|2,0,0]=4 6620 B13R0.66 CCCNC(=O)COCCCCSC 7a_100011217163_100000183358 [1,1,0,0,0,0|2,0,0]=4 6621 B13R0.66 CCCNC(=O)COCCCOCC 34a_100000757476_100000183358 [1,1,0,0,0,0|2,0,0]=4 6622 B13R0.66 CCCNC(=O)COCCCOCC 7a_100000757476_100000183358 [1,1,0,0,0,0|2,0,0]=4 6623 B13R0.66 CCCNC(=O)COCCCSCC 34a_100011216438_100000183358 [1,1,0,0,0,0|2,0,0]=4 6624 B13R0.66 CCCNC(=O)COCCCSCC 7a_100011216438_100000183358 [1,1,0,0,0,0|2,0,0]=4 6625 B13R0.66 CCCNC(=O)COCCOCCC 34a_100000752267_100000183358 [1,1,0,0,0,0|2,0,0]=4 6626 B13R0.66 CCCNC(=O)COCCOCCC 7a_100000752267_100000183358 [1,1,0,0,0,0|2,0,0]=4 6627 B13R0.66 CCCNC(=O)COCCSCCC 34a_200000230433_100000183358 [1,1,0,0,0,0|2,0,0]=4 6628 B13R0.66 CCCNC(=O)COCCSCCC 7a_200000230433_100000183358 [1,1,0,0,0,0|2,0,0]=4 6629 B13R0.66 CCCNC(=O)CSCCCCCF 62a_100000183358_100000729378 [1,1,0,0,0,0|2,0,0]=4 6630 B13R0.66 CCCNC(=O)CSCCCCCF 62a_100000729378_100000183358 [1,1,0,0,0,0|2,0,0]=4 6631 B13R0.66 CCCNC(=O)CSCCCCCO 62a_100000183358_100000746330 [1,1,0,0,0,0|2,0,0]=4 6632 B13R0.66 CCCNC(=O)CSCCCCCO 62a_100000746330_100000183358 [1,1,0,0,0,0|2,0,0]=4 6633 B13R0.66 CCCNC(=O)CSCCCCOC 62a_100000183358_100000730899 [1,1,0,0,0,0|2,0,0]=4 6634 B13R0.66 CCCNC(=O)CSCCCCOC 62a_100000730899_100000183358 [1,1,0,0,0,0|2,0,0]=4 6635 B13R0.66 CCCNC(=O)CSCCCOCC 62a_100000183358_100012232248 [1,1,0,0,0,0|2,0,0]=4 6636 B13R0.66 CCCNC(=O)CSCCCOCC 62a_100012232248_100000183358 [1,1,0,0,0,0|2,0,0]=4 6637 B13R0.66 CCCNC(=O)CSCCOCCC 62a_100000183358_100011215938 [1,1,0,0,0,0|2,0,0]=4 6638 B13R0.66 CCCNC(=O)CSCCOCCC 62a_100011215938_100000183358 [1,1,0,0,0,0|2,0,0]=4 6639 B13R0.66 CCCNC(=O)NCCCCCCO 2708a_100020643023_100000686447 [1,1,0,0,0,0|2,0,0]=4 6640 B13R0.66 CCCNC(=O)NCCCCCCO 273464a_100000686447_100020643023 [1,1,0,0,0,0|2,0,0]=4 6641 B13R0.66 CCCNC(=O)NCCCCCCO 273464a_100020643023_100000686447 [1,1,0,0,0,0|2,0,0]=4 6642 B13R0.66 CCCNC(=O)NCCCCCCO 512a_100000686447_100020643023 [1,1,0,0,0,0|2,0,0]=4 6643 B13R0.66 CCCNC(=O)NCCCCCCO 512a_100020643023_100000686447 [1,1,0,0,0,0|2,0,0]=4 6644 B13R0.66 CCCNC(=O)NCCCCCOC 2708a_100000747528_100020643023 [1,1,0,0,0,0|2,0,0]=4 6645 B13R0.66 CCCNC(=O)NCCCCCOC 2708a_100020643023_100000747528 [1,1,0,0,0,0|2,0,0]=4 6646 B13R0.66 CCCNC(=O)NCCCCCOC 273464a_100000747528_100020643023 [1,1,0,0,0,0|2,0,0]=4 6647 B13R0.66 CCCNC(=O)NCCCCCOC 273464a_100020643023_100000747528 [1,1,0,0,0,0|2,0,0]=4 6648 B13R0.66 CCCNC(=O)NCCCCCOC 512a_100000747528_100020643023 [1,1,0,0,0,0|2,0,0]=4 6649 B13R0.66 CCCNC(=O)NCCCCCOC 512a_100020643023_100000747528 [1,1,0,0,0,0|2,0,0]=4 6650 B13R0.66 CCCNC(=O)NCCCOCCC 2708a_100011217757_100020643023 [1,1,0,0,0,0|2,0,0]=4 6651 B13R0.66 CCCNC(=O)NCCCOCCC 2708a_100020643023_100011217757 [1,1,0,0,0,0|2,0,0]=4 6652 B13R0.66 CCCNC(=O)NCCCOCCC 273464a_100011217757_100020643023 [1,1,0,0,0,0|2,0,0]=4 6653 B13R0.66 CCCNC(=O)NCCCOCCC 273464a_100020643023_100011217757 [1,1,0,0,0,0|2,0,0]=4 6654 B13R0.66 CCCNC(=O)NCCCOCCC 512a_100011217757_100020643023 [1,1,0,0,0,0|2,0,0]=4 6655 B13R0.66 CCCNC(=O)NCCCOCCC 512a_100020643023_100011217757 [1,1,0,0,0,0|2,0,0]=4 6656 B13R0.66 CCCOC(=O)CNCCCCCO 2230a_100000762737_200011215008 [1,1,0,0,0,0|2,0,0]=4 6657 B13R0.66 CCCOC(=O)CNCCCCCO 34a_100000762737_200011215008 [1,1,0,0,0,0|2,0,0]=4 6658 B13R0.66 CCCOC(=O)CNCCCOCC 2230a_100000210961_200011215008 [1,1,0,0,0,0|2,0,0]=4 6659 B13R0.66 CCCOC(=O)CNCCCOCC 34a_100000210961_200011215008 [1,1,0,0,0,0|2,0,0]=4 6660 B13R0.66 CCCOC(=O)CNCCSCCC 2230a_100020603323_200011215008 [1,1,0,0,0,0|2,0,0]=4 6661 B13R0.66 CCCOC(=O)COCCCCCBr 34a_100000746331_200011215008 [1,1,0,0,0,0|2,0,0]=4 6662 B13R0.66 CCCOC(=O)COCCCCCBr 7a_100000746331_200011215008 [1,1,0,0,0,0|2,0,0]=4 6663 B13R0.66 CCCOC(=O)COCCCCCCl 34a_100000746330_200011215008 [1,1,0,0,0,0|2,0,0]=4 6664 B13R0.66 CCCOC(=O)COCCCCCCl 7a_100000746330_200011215008 [1,1,0,0,0,0|2,0,0]=4 6665 B13R0.66 CCCOC(=O)COCCCCCI 34a_200012148887_200011215008 [1,1,0,0,0,0|2,0,0]=4 6666 B13R0.66 CCCOC(=O)COCCCCCI 7a_200012148887_200011215008 [1,1,0,0,0,0|2,0,0]=4 6667 B13R0.66 CCCOC(=O)COCCCCCN 34a_100000762737_200011215008 [1,1,0,0,0,0|2,0,0]=4 6668 B13R0.66 CCCOC(=O)COCCCCOC 34a_100000740925_200011215008 [1,1,0,0,0,0|2,0,0]=4 6669 B13R0.66 CCCOC(=O)COCCCCSC 34a_100011217163_200011215008 [1,1,0,0,0,0|2,0,0]=4 6670 B13R0.66 CCCOC(=O)COCCCCSC 7a_100011217163_200011215008 [1,1,0,0,0,0|2,0,0]=4 6671 B13R0.66 CCCOC(=O)COCCCOCC 34a_100000757476_200011215008 [1,1,0,0,0,0|2,0,0]=4 6672 B13R0.66 CCCOC(=O)COCCCOCC 7a_100000757476_200011215008 [1,1,0,0,0,0|2,0,0]=4 6673 B13R0.66 CCCOC(=O)COCCCSCC 34a_100011216438_200011215008 [1,1,0,0,0,0|2,0,0]=4 6674 B13R0.66 CCCOC(=O)COCCCSCC 7a_100011216438_200011215008 [1,1,0,0,0,0|2,0,0]=4 6675 B13R0.66 CCCOC(=O)COCCSCCC 34a_200000230433_200011215008 [1,1,0,0,0,0|2,0,0]=4 6676 B13R0.66 CCCOC(=O)COCCSCCC 7a_200000230433_200011215008 [1,1,0,0,0,0|2,0,0]=4 6677 B13R0.66 CCCOC(=O)CSCCCCCF 62a_100000729378_200011215008 [1,1,0,0,0,0|2,0,0]=4 6678 B13R0.66 CCCOC(=O)CSCCCCCF 62a_200011215008_100000729378 [1,1,0,0,0,0|2,0,0]=4 6679 B13R0.66 CCCOC(=O)CSCCCCCO 62a_100000746330_200011215008 [1,1,0,0,0,0|2,0,0]=4 6680 B13R0.66 CCCOC(=O)CSCCCCCO 62a_200011215008_100000746330 [1,1,0,0,0,0|2,0,0]=4 6681 B13R0.66 CCCOC(=O)CSCCCCOC 62a_100000730899_200011215008 [1,1,0,0,0,0|2,0,0]=4 6682 B13R0.66 CCCOC(=O)CSCCCCOC 62a_200011215008_100000730899 [1,1,0,0,0,0|2,0,0]=4 6683 B13R0.66 CCCOC(=O)CSCCCOCC 62a_100012232248_200011215008 [1,1,0,0,0,0|2,0,0]=4 6684 B13R0.66 CCCOC(=O)CSCCCOCC 62a_200011215008_100012232248 [1,1,0,0,0,0|2,0,0]=4 6685 B13R0.66 CCCOC(=O)OCNCCCCO 34a_100000750430_200000139673 [1,1,0,0,0,0|2,0,0]=4 6686 B13R0.66 CCCOC(=O)OCNCCCOC 34a_100150723488_200000139673 [1,1,0,0,0,0|2,0,0]=4 6687 B13R0.66 CCCOC(=O)OCNCCOCC 34a_102516460346_200000139673 [1,1,0,0,0,0|2,0,0]=4 6688 B13R0.66 CCCOC(=O)OCOCCCCBr 34a_100011216708_200000139673 [1,1,0,0,0,0|2,0,0]=4 6689 B13R0.66 CCCOC(=O)OCOCCCCCl 34a_100000210776_200000139673 [1,1,0,0,0,0|2,0,0]=4 6690 B13R0.66 CCCOC(=O)OCOCCCCCl 7a_100000210776_200000139673 [1,1,0,0,0,0|2,0,0]=4 6691 B13R0.66 CCCOC(=O)OCOCCCCF 34a_100011995726_200000139673 [1,1,0,0,0,0|2,0,0]=4 6692 B13R0.66 CCCOC(=O)OCOCCCCF 7a_100011995726_200000139673 [1,1,0,0,0,0|2,0,0]=4 6693 B13R0.66 CCCOC(=O)OCOCCCCI 34a_200012148704_200000139673 [1,1,0,0,0,0|2,0,0]=4 6694 B13R0.66 CCCOC(=O)OCOCCCCN 34a_100000750430_200000139673 [1,1,0,0,0,0|2,0,0]=4 6695 B13R0.66 CCCOC(=O)OCOCCCNC 34a_100000213112_200000139673 [1,1,0,0,0,0|2,0,0]=4 6696 B13R0.66 CCCOC(=O)OCOCCCOC 34a_100000740835_200000139673 [1,1,0,0,0,0|2,0,0]=4 6697 B13R0.66 CCCOC(=O)OCOCCCSC 34a_100000690336_200000139673 [1,1,0,0,0,0|2,0,0]=4 6698 B13R0.66 CCCOC(=O)OCOCCCSC 7a_100000690336_200000139673 [1,1,0,0,0,0|2,0,0]=4 6699 B13R0.66 CCCOC(=O)OCOCCOCC 34a_100000210136_200000139673 [1,1,0,0,0,0|2,0,0]=4 6700 B13R0.66 CCCOC(=O)OCOCCOCC 7a_100000210136_200000139673 [1,1,0,0,0,0|2,0,0]=4 6701 B13R0.66 CCCOC(=O)OCOCCSCC 34a_100000212035_200000139673 [1,1,0,0,0,0|2,0,0]=4 6702 B13R0.66 CCCOC(=O)OCOCCSCC 7a_100000212035_200000139673 [1,1,0,0,0,0|2,0,0]=4 6703 B13R0.66 CCCOC(=O)OCSCCCCF 62a_100000729493_200000139673 [1,1,0,0,0,0|2,0,0]=4 6704 B13R0.66 CCCOC(=O)OCSCCCCO 62a_100000210776_200000139673 [1,1,0,0,0,0|2,0,0]=4 6705 B13R0.66 CCCOC(=O)OCSCCCOC 62a_100000709357_200000139673 [1,1,0,0,0,0|2,0,0]=4 6706 B13R0.66 CCCOC(=O)OCSCCOCC 62a_100000210147_200000139673 [1,1,0,0,0,0|2,0,0]=4 6707 B13R0.66 CCCOC(=O)OCSCCSCC 62a_100000757381_200000139673 [1,1,0,0,0,0|2,0,0]=4 6708 B13R0.66 CCCOCCCNC(=O)CCOC 1626a_100011217757_100000749529 [1,1,0,0,0,0|2,0,0]=4 6709 B13R0.66 CCCOCCCNC(=O)CCOC 240690a_100011217757_100000749529 [1,1,0,0,0,0|2,0,0]=4 6710 B13R0.66 CCCOCCCNC(=O)CCOC 527a_100011217757_100000749529 [1,1,0,0,0,0|2,0,0]=4 6711 B13R0.66 CCCOCCCNC(=O)CCSC 1626a_100011217757_100000174002 [1,1,0,0,0,0|2,0,0]=4 6712 B13R0.66 CCCOCCCNC(=O)CCSC 240690a_100011217757_100000174002 [1,1,0,0,0,0|2,0,0]=4 6713 B13R0.66 CCCOCCCNC(=O)CCSC 527a_100011217757_100000174002 [1,1,0,0,0,0|2,0,0]=4 6714 B13R0.66 CCCOCCCNC(=O)COCC 1626a_100011217757_100000211967 [1,1,0,0,0,0|2,0,0]=4 6715 B13R0.66 CCCOCCCNC(=O)COCC 240690a_100011217757_100000211967 [1,1,0,0,0,0|2,0,0]=4 6716 B13R0.66 CCCOCCCNC(=O)COCC 527a_100011217757_100000211967 [1,1,0,0,0,0|2,0,0]=4 6717 B13R0.66 CCCOCCCNC(=O)CSCC 1626a_100011217757_100000230394 [1,1,0,0,0,0|2,0,0]=4 6718 B13R0.66 CCCOCCCNC(=O)CSCC 240690a_100011217757_100000230394 [1,1,0,0,0,0|2,0,0]=4 6719 B13R0.66 CCCOCCCNC(=O)CSCC 527a_100011217757_100000230394 [1,1,0,0,0,0|2,0,0]=4 6720 B13R0.66 CCCOCCNCC(=O)OCCC 2230a_100161115042_200011215008 [1,1,0,0,0,0|2,0,0]=4 6721 B13R0.66 CCCOCCNCC(=O)OCCC 34a_100161115042_200011215008 [1,1,0,0,0,0|2,0,0]=4 6722 B13R0.66 CCCOCCOCC(=O)OCCC 34a_100000752267_200011215008 [1,1,0,0,0,0|2,0,0]=4 6723 B13R0.66 CCCOCCOCC(=O)OCCC 7a_100000752267_200011215008 [1,1,0,0,0,0|2,0,0]=4 6724 B13R0.66 CCCOCCSCC(=O)OCCC 62a_100011215938_200011215008 [1,1,0,0,0,0|2,0,0]=4 6725 B13R0.66 CCCOCCSCC(=O)OCCC 62a_200011215008_100011215938 [1,1,0,0,0,0|2,0,0]=4 6726 B13R0.66 CCNNC(=O)CCCCCCCO 22a_100000756455_100011219782 [1,1,0,0,0,0|2,0,0]=4 6727 B13R0.66 CCOCC(=O)CCCCCCC#N 1458a_100000211967_100009813337 [1,1,0,0,0,0|1,0,1]=4 6728 B13R0.66 CCOCC(=O)CCCCCCCO 1458a_100000211967_100000760002 [1,1,0,0,0,0|1,0,0]=3 6729 B13R0.66 CCOCC(=O)CCCCCCOC 1458a_100000211967_100011998445 [1,1,0,0,0,0|1,0,0]=3 6730 B13R0.66 CCOCC(=O)CCCOCCOC 1458a_100000211967_100011216529 [1,1,0,0,0,0|2,0,0]=4 6731 B13R0.66 CCOCC(=O)NCCCCCCO 240690a_100000686447_100000211967 [1,1,0,0,0,0|2,0,0]=4 6732 B13R0.66 CCOCC(=O)NCCCCCCO 527a_100000686447_100000211967 [1,1,0,0,0,0|2,0,0]=4 6733 B13R0.66 CCOCC(=O)NCCCCCOC 11a_100000747528_100000211967 [1,1,0,0,0,0|2,0,0]=4 6734 B13R0.66 CCOCC(=O)NCCCCCOC 1626a_100000747528_100000211967 [1,1,0,0,0,0|2,0,0]=4 6735 B13R0.66 CCOCC(=O)NCCCCCOC 240690a_100000747528_100000211967 [1,1,0,0,0,0|2,0,0]=4 6736 B13R0.66 CCOCC(=O)NCCCCCOC 527a_100000747528_100000211967 [1,1,0,0,0,0|2,0,0]=4 6737 B13R0.66 CCOCCOCCC(=O)CCOC 1458a_100000749529_100011211534 [1,1,0,0,0,0|2,0,0]=4 6738 B13R0.66 CCOCCOCCC(=O)CCSC 1458a_100000174002_100011211534 [1,1,0,0,0,0|2,0,0]=4 6739 B13R0.66 CCOCCOCCC(=O)COCC 1458a_100000211967_100011211534 [1,1,0,0,0,0|2,0,0]=4 6740 B13R0.66 CCOCCOCCC(=O)CSCC 1458a_100000230394_100011211534 [1,1,0,0,0,0|2,0,0]=4 6741 B13R0.66 CCSCC(=O)CCCCCCC#N 1458a_100000230394_100009813337 [1,1,0,0,0,0|1,0,1]=4 6742 B13R0.66 CCSCC(=O)CCCCCCCO 1458a_100000230394_100000760002 [1,1,0,0,0,0|1,0,0]=3 6743 B13R0.66 CCSCC(=O)CCCCCCOC 1458a_100000230394_100011998445 [1,1,0,0,0,0|1,0,0]=3 6744 B13R0.66 CCSCC(=O)CCCOCCOC 1458a_100000230394_100011216529 [1,1,0,0,0,0|2,0,0]=4 6745 B13R0.66 CCSCC(=O)NCCCCCCO 240690a_100000686447_100000230394 [1,1,0,0,0,0|2,0,0]=4 6746 B13R0.66 CCSCC(=O)NCCCCCCO 527a_100000686447_100000230394 [1,1,0,0,0,0|2,0,0]=4 6747 B13R0.66 CCSCC(=O)NCCCCCOC 11a_100000747528_100000230394 [1,1,0,0,0,0|2,0,0]=4 6748 B13R0.66 CCSCC(=O)NCCCCCOC 1626a_100000747528_100000230394 [1,1,0,0,0,0|2,0,0]=4 6749 B13R0.66 CCSCC(=O)NCCCCCOC 240690a_100000747528_100000230394 [1,1,0,0,0,0|2,0,0]=4 6750 B13R0.66 CCSCC(=O)NCCCCCOC 527a_100000747528_100000230394 [1,1,0,0,0,0|2,0,0]=4 6751 B13R0.66 COCCC(=O)CCCCCCC#N 1458a_100000749529_100009813337 [1,1,0,0,0,0|1,0,1]=4 6752 B13R0.66 COCCC(=O)CCCCCCCO 1458a_100000749529_100000760002 [1,1,0,0,0,0|1,0,0]=3 6753 B13R0.66 COCCC(=O)CCCCCCCO 1458a_100011219782_100000233755 [1,1,0,0,0,0|1,0,0]=3 6754 B13R0.66 COCCC(=O)NCCCCCCO 240690a_100000686447_100000749529 [1,1,0,0,0,0|2,0,0]=4 6755 B13R0.66 COCCC(=O)NCCCCCCO 527a_100000686447_100000749529 [1,1,0,0,0,0|2,0,0]=4 6756 B13R0.66 COCCCCCCC(=O)CCC#N 1458a_100011934036_100011998445 [1,1,0,0,0,0|1,0,1]=4 6757 B13R0.66 COCCCCCCC(=O)CCOC 1458a_100000749529_100011998445 [1,1,0,0,0,0|1,0,0]=3 6758 B13R0.66 COCCCCCCC(=O)CCSC 1458a_100000174002_100011998445 [1,1,0,0,0,0|1,0,0]=3 6759 B13R0.66 COCCCCCNC(=O)CCOC 11a_100000747528_100000749529 [1,1,0,0,0,0|2,0,0]=4 6760 B13R0.66 COCCCCCNC(=O)CCOC 1626a_100000747528_100000749529 [1,1,0,0,0,0|2,0,0]=4 6761 B13R0.66 COCCCCCNC(=O)CCOC 240690a_100000747528_100000749529 [1,1,0,0,0,0|2,0,0]=4 6762 B13R0.66 COCCCCCNC(=O)CCOC 527a_100000747528_100000749529 [1,1,0,0,0,0|2,0,0]=4 6763 B13R0.66 COCCCCCNC(=O)CCSC 11a_100000747528_100000174002 [1,1,0,0,0,0|2,0,0]=4 6764 B13R0.66 COCCCCCNC(=O)CCSC 1626a_100000747528_100000174002 [1,1,0,0,0,0|2,0,0]=4 6765 B13R0.66 COCCCCCNC(=O)CCSC 240690a_100000747528_100000174002 [1,1,0,0,0,0|2,0,0]=4 6766 B13R0.66 COCCCCCNC(=O)CCSC 527a_100000747528_100000174002 [1,1,0,0,0,0|2,0,0]=4 6767 B13R0.66 COCCOCCCC(=O)CCOC 1458a_100000749529_100011216529 [1,1,0,0,0,0|2,0,0]=4 6768 B13R0.66 COCCOCCCC(=O)CCSC 1458a_100000174002_100011216529 [1,1,0,0,0,0|2,0,0]=4 6769 B13R0.66 CSCCC(=O)CCCCCCC#N 1458a_100000174002_100009813337 [1,1,0,0,0,0|1,0,1]=4 6770 B13R0.66 CSCCC(=O)CCCCCCCO 1458a_100000174002_100000760002 [1,1,0,0,0,0|1,0,0]=3 6771 B13R0.66 CSCCC(=O)CCCCCCCO 1458a_100011219782_100000751147 [1,1,0,0,0,0|1,0,0]=3 6772 B13R0.66 CSCCC(=O)NCCCCCCO 240690a_100000686447_100000174002 [1,1,0,0,0,0|2,0,0]=4 6773 B13R0.66 CSCCC(=O)NCCCCCCO 527a_100000686447_100000174002 [1,1,0,0,0,0|2,0,0]=4 6774 B13R0.66 N#CCCC(=O)CCCCCCCO 1458a_100011219782_100011215226 [1,1,0,0,0,0|1,0,1]=4 6775 B13R0.66 N#CCCC(=O)CCCCCCCO 1458a_100011934036_100000760002 [1,1,0,0,0,0|1,0,1]=4 6776 B13R0.66 O=C(CCCCCCCO)NCCF 240690a_100000724931_100011219782 [1,1,0,0,0,0|2,0,0]=4 6777 B13R0.66 O=C(CCCCCCCO)NCCO 240690a_100000210304_100011219782 [1,1,0,0,0,0|2,0,0]=4 6778 B13R0.66 O=C(CCCF)CCCCCCCO 1458a_100011219782_100011934791 [1,1,0,0,0,0|1,0,0]=3 6779 B13R0.66 O=C(CCCO)CCCCCCCO 1458a_100011219782_100011215043 [1,1,0,0,0,0|1,0,0]=3 6780 B13R0.87 C#CC(O)CCCCCC(=O)CCC 1458a_100000211992_200010408556 [1,1,0,0,0,0|0,0,2]=4 6781 B13R0.87 CCCC(=O)CCCCCC(=O)OC 1458a_100000211992_100009816466 [1,1,0,0,0,0|1,0,1]=4 6782 B13R0.87 CCCC(=O)CCCCCC(=O)OC 1458a_100009848860_100000210303 [1,1,0,0,0,0|1,0,1]=4 6783 B13R0.87 CCCC(=O)COCCCC(C)CC 7a_100011216074_100000747444 [1,1,0,0,0,0|1,0,0]=3 6784 B13R0.87 CCCC(=O)CSCCCN(C)CC 62a_100000747444_100015186262 [1,1,0,0,0,0|2,0,0]=4 6785 B13R0.87 CCCC(=O)OCNCCC(C)CC 2230a_100020591266_100000034017 [1,1,0,0,0,0|1,0,0]=3 6786 B13R0.87 CCCC(=O)OCNCCC(C)CO 2230a_106354213184_100000034017 [1,1,0,0,0,0|2,0,0]=4 6787 B13R0.87 CCCC(=O)OCNCCC(C)CO 34a_106354213184_100000034017 [1,1,0,0,0,0|2,0,0]=4 6788 B13R0.87 CCNC(=O)CCNCCC(C)CC 2230a_100020591266_100000737597 [1,1,0,0,0,0|2,0,0]=4 6789 B13R0.87 CCNC(=O)CCOCCC(C)CC 7a_100011215188_100000737597 [1,1,0,0,0,0|2,0,0]=4 6790 B13R0.87 CCNC(=O)COCCCC(C)CC 7a_100011216074_100000183381 [1,1,0,0,0,0|2,0,0]=4 6791 B13R0.87 CCOC(=O)CCCCCC(=O)CC 1458a_100000037472_100000210202 [1,1,0,0,0,0|1,0,1]=4 6792 B13R0.87 CCOC(=O)CCCCCC(=O)CC 1458a_100000210414_100000755133 [1,1,0,0,0,0|1,0,1]=4 6793 B13R0.87 CCOC(=O)CCCCCN(C)CC 2230a_100000225621_100000755133 [1,1,0,0,0,0|2,0,0]=4 6794 B13R0.87 CCOC(=O)CCCCCN(C)CC 269982a_100000225621_100000755133 [1,1,0,0,0,0|2,0,0]=4 6795 B13R0.87 CCOC(=O)CCCCNC(C)CC 2230a_100000209981_100000750268 [1,1,0,0,0,0|2,0,0]=4 6796 B13R0.87 CCOC(=O)CCCCOC(C)CC 7a_100000210228_100000750268 [1,1,0,0,0,0|2,0,0]=4 6797 B13R0.87 CCOC(=O)CCCCSC(C)CC 62a_100000750268_100000758301 [1,1,0,0,0,0|2,0,0]=4 6798 B13R0.87 CCOC(=O)CCCCSC(C)CC 62a_100000758301_100000750268 [1,1,0,0,0,0|2,0,0]=4 6799 B13R0.87 CCOC(=O)CCCNCC(C)CC 2230a_100020588543_100009991533 [1,1,0,0,0,0|2,0,0]=4 6800 B13R0.87 CCOC(=O)CCCNCC(O)CC 2230a_100011218483_100009991533 [1,1,0,0,0,0|2,0,0]=4 6801 B13R0.87 CCOC(=O)CCCOCC(C)CC 7a_100012001163_100000748023 [1,1,0,0,0,0|2,0,0]=4 6802 B13R0.87 CCOC(=O)CCCOCC(O)CC 7a_100012001163_100011218378 [1,1,0,0,0,0|2,0,0]=4 6803 B13R0.87 CCOC(=O)CCCOC[C@@H](C)CC 7a_100009816381_100011215271 [1,1,0,0,0,0|2,0,0]=4 6804 B13R0.87 CCOC(=O)CCCOC[C@@H](C)CC 7a_100012001163_100009816398 [1,1,0,0,0,0|2,0,0]=4 6805 B13R0.87 CCOC(=O)CCCSCC(C)CC 62a_100000748023_100009991533 [1,1,0,0,0,0|2,0,0]=4 6806 B13R0.87 CCOC(=O)CCCSCC(C)CC 62a_100009991533_100000748023 [1,1,0,0,0,0|2,0,0]=4 6807 B13R0.87 CCOC(=O)CCCSCC(O)CC 62a_100009991533_100011218378 [1,1,0,0,0,0|2,0,0]=4 6808 B13R0.87 CCOC(=O)CCCSCC(O)CC 62a_100011218378_100009991533 [1,1,0,0,0,0|2,0,0]=4 6809 B13R0.87 CCOC(=O)CCCSC[C@@H](C)CC 62a_100009816398_100009991533 [1,1,0,0,0,0|2,0,0]=4 6810 B13R0.87 CCOC(=O)CCCSC[C@@H](C)CC 62a_100009991533_100009816398 [1,1,0,0,0,0|2,0,0]=4 6811 B13R0.87 CCOC(=O)CCNCCC(C)CC 2230a_100020591266_100011206558 [1,1,0,0,0,0|2,0,0]=4 6812 B13R0.87 CCOC(=O)CCOCCC(C)CC 7a_100011215188_100011206558 [1,1,0,0,0,0|2,0,0]=4 6813 B13R0.87 CCOC(=O)COCCCC(C)CC 7a_100011216074_100000188475 [1,1,0,0,0,0|2,0,0]=4 6814 B13R0.88 C#CCC(=O)CCCCCCC(C)C 1458a_100000040743_100000184674 [1,1,0,0,0,0|0,0,2]=4 6815 B13R0.88 C=CCC(=O)CCCCCCC(C)C 1458a_100000040743_100000210623 [1,1,0,0,0,0|0,0,2]=4 6816 B13R0.88 CC(C)CCCCCCC(=O)CC#N 1458a_100000040743_100011214920 [1,1,0,0,0,0|1,0,1]=4 6817 B13R0.88 CC(C)CCCCCCC(=O)CCF 1458a_100000040743_100011217306 [1,1,0,0,0,0|1,0,0]=3 6818 B13R0.88 CC(C)CCCCCCC(=O)CCO 1458a_100000040743_100000211926 [1,1,0,0,0,0|1,0,0]=3 6819 B13R0.88 CC(C)CCCCCNC(=O)CCO 240690a_100011290863_100011216618 [1,1,0,0,0,0|2,0,0]=4 6820 B13R0.88 CCCC(=O)CCCC/C=C/C(C)C 1458a_200016995844_100000210303 [1,1,0,0,0,0|0,0,2]=4 6821 B13R0.88 CCCC(=O)CCCCCCB(O)O 1458a_100000211992_100009817187 [1,1,0,0,0,0|2,0,0]=4 6822 B13R0.88 CCCC(=O)CCCCCCC(C)C 1458a_100000040743_100000210303 [1,1,0,0,0,0|0,0,0]=2 6823 B13R0.88 CCCC(=O)CCCCCNC(=O)C 1458a_100000183861_100000210303 [1,1,0,0,0,0|1,0,1]=4 6824 B13R0.88 CCCC(=O)CCCCCOC(=O)C 1458a_100000211992_100000033007 [1,1,0,0,0,0|1,0,1]=4 6825 B13R0.88 CCCC(=O)CNCCCOC(C)C 2230a_100000737246_100000747444 [1,1,0,0,0,0|2,0,0]=4 6826 B13R0.88 CCCC(=O)COCCCCC(C)C 7a_100011214890_100000747444 [1,1,0,0,0,0|1,0,0]=3 6827 B13R0.88 CCCC(=O)COCCOCC(C)C 7a_100000703358_100000747444 [1,1,0,0,0,0|2,0,0]=4 6828 B13R0.88 CCCC(=O)COCCSCC(C)C 7a_200000230437_100000747444 [1,1,0,0,0,0|2,0,0]=4 6829 B13R0.88 CCCC(=O)CSCCCCC(=O)C 62a_100000735457_100000747444 [1,1,0,0,0,0|1,0,1]=4 6830 B13R0.88 CCCC(=O)CSCCCCC(=O)C 62a_100000747444_100000735457 [1,1,0,0,0,0|1,0,1]=4 6831 B13R0.88 CCCC(=O)CSCCCCC(C)C 62a_100000747444_100011216152 [1,1,0,0,0,0|1,0,0]=3 6832 B13R0.88 CCCC(=O)CSCCCCC(C)C 62a_100011216152_100000747444 [1,1,0,0,0,0|1,0,0]=3 6833 B13R0.88 CCCC(=O)CSCCCCN(C)C 62a_100000747444_100000690147 [1,1,0,0,0,0|2,0,0]=4 6834 B13R0.88 CCCC(=O)NCCCCCC(C)C 1626a_100011290863_100000211992 [1,1,0,0,0,0|1,0,0]=3 6835 B13R0.88 CCCC(=O)NCCCCCC(C)C 240690a_100011290863_100000211992 [1,1,0,0,0,0|1,0,0]=3 6836 B13R0.88 CCCC(=O)NCCCCCC(C)C 527a_100011290863_100000211992 [1,1,0,0,0,0|1,0,0]=3 6837 B13R0.88 CCCC(=O)NCCCCCN(C)C 240690a_100020635752_100000211992 [1,1,0,0,0,0|2,0,0]=4 6838 B13R0.88 CCCC(=O)NCCCOCC(C)C 11a_100000205972_100000211992 [1,1,0,0,0,0|2,0,0]=4 6839 B13R0.88 CCCC(=O)NCCCOCC(C)C 1626a_100000205972_100000211992 [1,1,0,0,0,0|2,0,0]=4 6840 B13R0.88 CCCC(=O)NCCCOCC(C)C 240690a_100000205972_100000211992 [1,1,0,0,0,0|2,0,0]=4 6841 B13R0.88 CCCC(=O)NCCCOCC(C)C 527a_100000205972_100000211992 [1,1,0,0,0,0|2,0,0]=4 6842 B13R0.88 CCCC(=O)OCNCCCC(C)C 2230a_200000737386_100000034017 [1,1,0,0,0,0|1,0,0]=3 6843 B13R0.88 CCCC(=O)OCNCCCC(C)C 34a_200000737386_100000034017 [1,1,0,0,0,0|1,0,0]=3 6844 B13R0.88 CCCC(=O)OCNCCCS(=O)C 2230a_200000753449_100000034017 [1,1,0,0,0,0|2,0,0]=4 6845 B13R0.88 CCCC(=O)OCNCCOC(C)C 2230a_100000701111_100000034017 [1,1,0,0,0,0|2,0,0]=4 6846 B13R0.88 CCCC(=O)OCNCCOC(C)C 34a_100000701111_100000034017 [1,1,0,0,0,0|2,0,0]=4 6847 B13R0.88 CCCC(=O)OCNCCSC(C)C 2230a_100000731138_100000034017 [1,1,0,0,0,0|2,0,0]=4 6848 B13R0.88 CCCC(=O)OCNCCSC(C)C 34a_100000731138_100000034017 [1,1,0,0,0,0|2,0,0]=4 6849 B13R0.88 CCCC(=O)OCOCCCC(=O)C 34a_100000759063_100000034017 [1,1,0,0,0,0|1,0,1]=4 6850 B13R0.88 CCCC(=O)OCOCCCC(C)C 34a_100000210774_100000034017 [1,1,0,0,0,0|1,0,0]=3 6851 B13R0.88 CCCC(=O)OCOCCNC(C)C 34a_100000224655_100000034017 [1,1,0,0,0,0|2,0,0]=4 6852 B13R0.88 CCCC(=O)OCOCCOC(C)C 34a_100000211219_100000034017 [1,1,0,0,0,0|2,0,0]=4 6853 B13R0.88 CCCC(=O)OCOCCSC(C)C 34a_200011212901_100000034017 [1,1,0,0,0,0|2,0,0]=4 6854 B13R0.88 CCCC(=O)OCSCCCC(=O)C 62a_100011215641_100000034017 [1,1,0,0,0,0|1,0,1]=4 6855 B13R0.88 CCCC(=O)OCSCCCC(C)C 62a_100011214892_100000034017 [1,1,0,0,0,0|1,0,0]=3 6856 B13R0.88 CCCC(=O)OCSCCCC(C)O 62a_200000718107_100000034017 [1,1,0,0,0,0|1,0,0]=3 6857 B13R0.88 CCCC(=O)OCSCCOC(C)C 62a_100000211751_100000034017 [1,1,0,0,0,0|2,0,0]=4 6858 B13R0.88 CCCC(=O)OCSCCSC(C)C 62a_100000730970_100000034017 [1,1,0,0,0,0|2,0,0]=4 6859 B13R0.88 CCCC(C)OCCCCCC(C)C 34a_100000764384_100000210682 [1,1,0,0,0,0|1,0,1]=4 6860 B13R0.88 CCCC(C)OCCCCCC(C)C 34a_100011995859_100000766640 [1,1,0,0,0,0|1,0,1]=4 6861 B13R0.88 CCCC(C)OCCCCCC(C)C 7a_100000764384_100000210682 [1,1,0,0,0,0|1,0,1]=4 6862 B13R0.88 CCCC(C)OCCCCCC(C)C 7a_100011995859_100000766640 [1,1,0,0,0,0|1,0,1]=4 6863 B13R0.88 CCNC(=O)CCCCCCC(C)C 11a_100015525214_100000040743 [1,1,0,0,0,0|1,0,0]=3 6864 B13R0.88 CCNC(=O)CCCCCCC(C)C 240690a_100015525214_100000040743 [1,1,0,0,0,0|1,0,0]=3 6865 B13R0.88 CCNC(=O)CCCCCCC(C)C 527a_100015525214_100000040743 [1,1,0,0,0,0|1,0,0]=3 6866 B13R0.88 CCNC(=O)CCNCCCC(C)C 2230a_200000737386_100000737597 [1,1,0,0,0,0|2,0,0]=4 6867 B13R0.88 CCNC(=O)CCNCCCC(C)C 34a_100025743525_100011214892 [1,1,0,0,0,0|2,0,0]=4 6868 B13R0.88 CCNC(=O)CCNCCCC(C)O 34a_100025743525_200000718107 [1,1,0,0,0,0|2,0,0]=4 6869 B13R0.88 CCNC(=O)CCOCCCC(C)C 7a_100000210774_100000737597 [1,1,0,0,0,0|2,0,0]=4 6870 B13R0.88 CCNC(=O)CCSCCCC(C)C 62a_100000737597_100011214892 [1,1,0,0,0,0|2,0,0]=4 6871 B13R0.88 CCNC(=O)CCSCCCC(C)C 62a_100011214892_100000737597 [1,1,0,0,0,0|2,0,0]=4 6872 B13R0.88 CCNC(=O)CCSCCCC(C)O 62a_100000737597_200000718107 [1,1,0,0,0,0|2,0,0]=4 6873 B13R0.88 CCNC(=O)CCSCCCC(C)O 62a_200000718107_100000737597 [1,1,0,0,0,0|2,0,0]=4 6874 B13R0.88 CCNC(=O)CNCCCCC(C)C 2230a_100016988866_100011216152 [1,1,0,0,0,0|2,0,0]=4 6875 B13R0.88 CCNC(=O)COCCCCC(C)C 34a_100011214890_100000183381 [1,1,0,0,0,0|2,0,0]=4 6876 B13R0.88 CCNC(=O)COCCCCC(C)C 7a_100011214890_100000183381 [1,1,0,0,0,0|2,0,0]=4 6877 B13R0.88 CCNC(=O)CSCCCCC(C)C 62a_100000183381_100011216152 [1,1,0,0,0,0|2,0,0]=4 6878 B13R0.88 CCNC(=O)CSCCCCC(C)C 62a_100011216152_100000183381 [1,1,0,0,0,0|2,0,0]=4 6879 B13R0.88 CCNC(=O)NCCCCCC(C)C 2708a_100011290863_100015525214 [1,1,0,0,0,0|2,0,0]=4 6880 B13R0.88 CCNC(=O)NCCCCCC(C)C 2708a_100015525214_100011290863 [1,1,0,0,0,0|2,0,0]=4 6881 B13R0.88 CCNC(=O)NCCCCCC(C)C 273464a_100011290863_100015525214 [1,1,0,0,0,0|2,0,0]=4 6882 B13R0.88 CCNC(=O)NCCCCCC(C)C 273464a_100015525214_100011290863 [1,1,0,0,0,0|2,0,0]=4 6883 B13R0.88 CCNC(=O)NCCCCCC(C)C 512a_100011290863_100015525214 [1,1,0,0,0,0|2,0,0]=4 6884 B13R0.88 CCNC(=O)NCCCCCC(C)C 512a_100015525214_100011290863 [1,1,0,0,0,0|2,0,0]=4 6885 B13R0.88 CCOC(=O)CCCCCCC(=O)C 1458a_100000031895_200000210301 [1,1,0,0,0,0|1,0,1]=4 6886 B13R0.88 CCOC(=O)CCCCCCC(=O)C 1458a_100000070787_100009814379 [1,1,0,0,0,0|1,0,1]=4 6887 B13R0.88 CCOC(=O)CCCCCCC(=O)[13CH3] 1458a_100000031895_200025704644 [1,1,0,0,0,0|1,0,1]=4 6888 B13R0.88 CCOC(=O)CCCCCCN(C)C 2230a_100102631434_100009814379 [1,1,0,0,0,0|2,0,0]=4 6889 B13R0.88 CCOC(=O)CCCCCCN(C)C 269982a_100102631434_100009814379 [1,1,0,0,0,0|2,0,0]=4 6890 B13R0.88 CCOC(=O)CCCCCNC(C)C 2230a_100138425928_100000755133 [1,1,0,0,0,0|2,0,0]=4 6891 B13R0.88 CCOC(=O)CCCCCNC(C)C 34a_100138425928_100000755133 [1,1,0,0,0,0|2,0,0]=4 6892 B13R0.88 CCOC(=O)CCCCCOC(C)C 34a_100000212225_100000755133 [1,1,0,0,0,0|2,0,0]=4 6893 B13R0.88 CCOC(=O)CCCCCOC(C)C 7a_100011214988_100000210206 [1,1,0,0,0,0|2,0,0]=4 6894 B13R0.88 CCOC(=O)CCCCCSC(C)C 62a_100000210206_100000755133 [1,1,0,0,0,0|2,0,0]=4 6895 B13R0.88 CCOC(=O)CCCCCSC(C)C 62a_100000755133_100000210206 [1,1,0,0,0,0|2,0,0]=4 6896 B13R0.88 CCOC(=O)CCCCNCC(C)C 2230a_100000210953_100000750268 [1,1,0,0,0,0|2,0,0]=4 6897 B13R0.88 CCOC(=O)CCCCNCC(C)C 34a_100000210953_100000750268 [1,1,0,0,0,0|2,0,0]=4 6898 B13R0.88 CCOC(=O)CCCCNCC(C)O 2230a_100000210904_100000750268 [1,1,0,0,0,0|2,0,0]=4 6899 B13R0.88 CCOC(=O)CCCCNCC(C)O 34a_100000210904_100000750268 [1,1,0,0,0,0|2,0,0]=4 6900 B13R0.88 CCOC(=O)CCCCOCC(C)Br 34a_100012180447_100000750268 [1,1,0,0,0,0|2,0,0]=4 6901 B13R0.88 CCOC(=O)CCCCOCC(C)C 34a_100000210257_100000750268 [1,1,0,0,0,0|2,0,0]=4 6902 B13R0.88 CCOC(=O)CCCCOCC(C)F 34a_100015925927_100000750268 [1,1,0,0,0,0|2,0,0]=4 6903 B13R0.88 CCOC(=O)CCCCOC[C@@H](C)Cl 34a_100016084084_100000750268 [1,1,0,0,0,0|2,0,0]=4 6904 B13R0.88 CCOC(=O)CCCCOC[C@@H](C)N 34a_100000737577_100000750268 [1,1,0,0,0,0|2,0,0]=4 6905 B13R0.88 CCOC(=O)CCCCSCC(C)C 62a_100000210624_100000750268 [1,1,0,0,0,0|2,0,0]=4 6906 B13R0.88 CCOC(=O)CCCCSCC(C)C 62a_100000750268_100000210760 [1,1,0,0,0,0|2,0,0]=4 6907 B13R0.88 CCOC(=O)CCCCSCC(C)O 62a_100000750268_100011218427 [1,1,0,0,0,0|2,0,0]=4 6908 B13R0.88 CCOC(=O)CCCCSCC(C)O 62a_100011218427_100000750268 [1,1,0,0,0,0|2,0,0]=4 6909 B13R0.88 CCOC(=O)CCCCSC[C@@H](C)O 62a_100000750268_100009817552 [1,1,0,0,0,0|2,0,0]=4 6910 B13R0.88 CCOC(=O)CCCCSC[C@@H](C)O 62a_100009817552_100000750268 [1,1,0,0,0,0|2,0,0]=4 6911 B13R0.88 CCOC(=O)CCCNCCC(C)O 2230a_200000755665_100009991533 [1,1,0,0,0,0|2,0,0]=4 6912 B13R0.88 CCOC(=O)CCCOCCC(C)Br 34a_100009893172_100009991533 [1,1,0,0,0,0|2,0,0]=4 6913 B13R0.88 CCOC(=O)CCCOCCC(C)C 34a_100000210254_100009991533 [1,1,0,0,0,0|2,0,0]=4 6914 B13R0.88 CCOC(=O)CCCOCCC(C)C 7a_100000210254_100011215271 [1,1,0,0,0,0|2,0,0]=4 6915 B13R0.88 CCOC(=O)CCCOCCC(C)C 7a_100012001163_100000210626 [1,1,0,0,0,0|2,0,0]=4 6916 B13R0.88 CCOC(=O)CCCOCCC(C)O 7a_100012001163_100012276601 [1,1,0,0,0,0|2,0,0]=4 6917 B13R0.88 CCOC(=O)CCCOCC[C@@H](C)N 34a_100000706166_100009991533 [1,1,0,0,0,0|2,0,0]=4 6918 B13R0.88 CCOC(=O)CCCSCCC(C)C 62a_100000210312_100009991533 [1,1,0,0,0,0|2,0,0]=4 6919 B13R0.88 CCOC(=O)CCCSCCC(C)C 62a_100009991533_100000210312 [1,1,0,0,0,0|2,0,0]=4 6920 B13R0.88 CCOC(=O)CCCSCCC(C)O 62a_100009991533_100012276601 [1,1,0,0,0,0|2,0,0]=4 6921 B13R0.88 CCOC(=O)CCCSCCC(C)O 62a_100012276601_100009991533 [1,1,0,0,0,0|2,0,0]=4 6922 B13R0.88 CCOC(=O)CCNCCCC(C)C 2230a_200000737386_100011206558 [1,1,0,0,0,0|2,0,0]=4 6923 B13R0.88 CCOC(=O)CCNCCCC(C)C 34a_200000737386_100000765890 [1,1,0,0,0,0|2,0,0]=4 6924 B13R0.88 CCOC(=O)CCOCCCC(C)C 34a_100000210774_100000765890 [1,1,0,0,0,0|2,0,0]=4 6925 B13R0.88 CCOC(=O)CCOCCCC(C)C 7a_100000210774_100011206558 [1,1,0,0,0,0|2,0,0]=4 6926 B13R0.88 CCOC(=O)CCSCCCC(C)C 62a_100000765890_100011214892 [1,1,0,0,0,0|2,0,0]=4 6927 B13R0.88 CCOC(=O)CCSCCCC(C)C 62a_100011214892_100000765890 [1,1,0,0,0,0|2,0,0]=4 6928 B13R0.88 CCOC(=O)CCSCCCC(C)O 62a_100000765890_200000718107 [1,1,0,0,0,0|2,0,0]=4 6929 B13R0.88 CCOC(=O)CCSCCCC(C)O 62a_200000718107_100000765890 [1,1,0,0,0,0|2,0,0]=4 6930 B13R0.88 CCOC(=O)COCCCCC(C)C 34a_100011214890_100000188475 [1,1,0,0,0,0|2,0,0]=4 6931 B13R0.88 CCOC(=O)COCCCCC(C)C 7a_100011214890_100000188475 [1,1,0,0,0,0|2,0,0]=4 6932 B13R0.88 CCOC(=O)CSCCCCC(C)C 62a_100000188475_100011216152 [1,1,0,0,0,0|2,0,0]=4 6933 B13R0.88 CCOC(=O)CSCCCCC(C)C 62a_100011216152_100000188475 [1,1,0,0,0,0|2,0,0]=4 6934 B13R0.88 CCOC(=O)OCSCCCC(C)C 62a_100011214892_100000075025 [1,1,0,0,0,0|2,0,0]=4 6935 B13R0.88 CCOC(=O)OCSCCCC(C)O 62a_200000718107_100000075025 [1,1,0,0,0,0|2,0,0]=4 6936 B13R0.88 CNNC(=O)CCCCCCC(C)C 22a_100016993582_100000040743 [1,1,0,0,0,0|2,0,0]=4 6937 B13R0.88 COCC(=O)NCCCCCC(C)C 1626a_100011290863_100000210968 [1,1,0,0,0,0|2,0,0]=4 6938 B13R0.88 COCC(=O)NCCCCCC(C)C 240690a_100011290863_100000210968 [1,1,0,0,0,0|2,0,0]=4 6939 B13R0.88 COCC(=O)NCCCCCC(C)C 527a_100011290863_100000210968 [1,1,0,0,0,0|2,0,0]=4 6940 B13R0.88 CSCC(=O)NCCCCCC(C)C 1626a_100011290863_100000184570 [1,1,0,0,0,0|2,0,0]=4 6941 B13R0.88 CSCC(=O)NCCCCCC(C)C 240690a_100011290863_100000184570 [1,1,0,0,0,0|2,0,0]=4 6942 B13R0.88 CSCC(=O)NCCCCCC(C)C 527a_100011290863_100000184570 [1,1,0,0,0,0|2,0,0]=4 6943 B13R0.175 CCCC(=O)CNCC(O)COCC 2230a_102515437182_100000747444 [1,1,0,0,0,0|2,0,0]=4 6944 B13R0.175 CCCC(=O)CNC[C@H](C)CCCO 2230a_100160569302_100000747444 [1,1,0,0,0,0|2,0,0]=4 6945 B13R0.175 CCCC(=O)OCOC(C)CCCCl 34a_200000718107_100000034017 [1,1,0,0,0,0|2,0,0]=4 6946 B13R0.175 CCCC(=O)OCOC(C)COCC 34a_100000718985_100000034017 [1,1,0,0,0,0|2,0,0]=4 6947 B13R0.175 CCCCC(=O)CCCC(=O)NCC 1458a_100000199580_100000210211 [1,1,0,0,0,0|1,0,1]=4 6948 B13R0.175 CCCCC(=O)CCCC(=O)OCC 1458a_100000210183_100011215271 [1,1,0,0,0,0|1,0,1]=4 6949 B13R0.175 CCCCC(=O)CCCC(=O)OCC 1458a_100000210991_100000210211 [1,1,0,0,0,0|1,0,1]=4 6950 B13R0.175 CCCCC(C)COCC(=O)CCC 7a_100011995851_100000747444 [1,1,0,0,0,0|1,0,0]=3 6951 B13R0.175 CCCCC(C)COCC(=O)NCC 34a_100011995851_100000183381 [1,1,0,0,0,0|2,0,0]=4 6952 B13R0.175 CCCCC(C)COCC(=O)NCC 7a_100011995851_100000183381 [1,1,0,0,0,0|2,0,0]=4 6953 B13R0.175 CCCCC(C)COCC(=O)OCC 34a_100011995851_100000188475 [1,1,0,0,0,0|2,0,0]=4 6954 B13R0.175 CCCCC(C)COCC(=O)OCC 7a_100011995851_100000188475 [1,1,0,0,0,0|2,0,0]=4 6955 B13R0.175 CCCCC(C)NCCC(=O)NCC 2230a_100000126638_100000737597 [1,1,0,0,0,0|2,0,0]=4 6956 B13R0.175 CCCCC(C)NCCC(=O)NCC 270004a_100025743525_100000210087 [1,1,0,0,0,0|2,0,0]=4 6957 B13R0.175 CCCCC(C)NCCC(=O)NCC 34a_100025743525_200011215066 [1,1,0,0,0,0|2,0,0]=4 6958 B13R0.175 CCCCC(C)NCCC(=O)OCC 2230a_100000126638_100011206558 [1,1,0,0,0,0|2,0,0]=4 6959 B13R0.175 CCCCC(C)NCOC(=O)CCC 2230a_100000126638_100000034017 [1,1,0,0,0,0|1,0,0]=3 6960 B13R0.175 CCCCC(C)OCCC(=O)NCC 7a_100000687866_100000737597 [1,1,0,0,0,0|2,0,0]=4 6961 B13R0.175 CCCCC(C)OCCC(=O)OCC 34a_100000687866_100000765890 [1,1,0,0,0,0|2,0,0]=4 6962 B13R0.175 CCCCC(C)OCCC(=O)OCC 7a_100000687866_100011206558 [1,1,0,0,0,0|2,0,0]=4 6963 B13R0.175 CCCCC(C)OCOC(=O)CCC 34a_100000687866_100000034017 [1,1,0,0,0,0|1,0,0]=3 6964 B13R0.175 CCCCC(C)SCCC(=O)NCC 62a_100000737597_200011215066 [1,1,0,0,0,0|2,0,0]=4 6965 B13R0.175 CCCCC(C)SCCC(=O)NCC 62a_200011215066_100000737597 [1,1,0,0,0,0|2,0,0]=4 6966 B13R0.175 CCCCC(C)SCCC(=O)OCC 62a_100000765890_200011215066 [1,1,0,0,0,0|2,0,0]=4 6967 B13R0.175 CCCCC(C)SCCC(=O)OCC 62a_200011215066_100000765890 [1,1,0,0,0,0|2,0,0]=4 6968 B13R0.175 CCCCC(C)SCOC(=O)CCC 62a_200011215066_100000034017 [1,1,0,0,0,0|1,0,0]=3 6969 B13R0.175 CCCCC(C)SCOC(=O)OCC 62a_200011215066_100000075025 [1,1,0,0,0,0|2,0,0]=4 6970 B13R0.175 CCCCN(C)CCCC(=O)OCC 2230a_100000207549_100009991533 [1,1,0,0,0,0|2,0,0]=4 6971 B13R0.175 CCCCN(C)CCCC(=O)OCC 269982a_100000207549_100009991533 [1,1,0,0,0,0|2,0,0]=4 6972 B13R0.175 CCCCN(C)CCNC(=O)CCC 1626a_200000754967_100000211992 [1,1,0,0,0,0|2,0,0]=4 6973 B13R0.175 CCCCN(C)CCNC(=O)CCC 240690a_200000754967_100000211992 [1,1,0,0,0,0|2,0,0]=4 6974 B13R0.175 CCCCN(C)CCNC(=O)CCC 527a_200000754967_100000211992 [1,1,0,0,0,0|2,0,0]=4 6975 B13R0.175 CCCC[C@H](N)COCC(=O)NCC 34a_100011934283_100000183381 [1,1,0,0,0,0|2,0,0]=4 6976 B13R0.175 CCCC[C@H](N)COCC(=O)OCC 34a_100011934283_100000188475 [1,1,0,0,0,0|2,0,0]=4 6977 B13R0.175 CCCNC(=O)CCCC(=O)CCC 1458a_100000199544_100000210303 [1,1,0,0,0,0|1,0,1]=4 6978 B13R0.175 CCCNC(=O)CCCC(=O)CCC 1458a_100000211992_100011194427 [1,1,0,0,0,0|1,0,1]=4 6979 B13R0.175 CCCOC(C)CNCC(=O)CCC 2230a_100015185124_100000747444 [1,1,0,0,0,0|2,0,0]=4 6980 B13R0.193 C#CCC(=O)CCC(C)CCCCC 1458a_100000034243_100000184674 [1,1,0,0,0,0|0,0,2]=4 6981 B13R0.193 C=CCC(=O)CCC(C)CCCCC 1458a_100000034243_100000210623 [1,1,0,0,0,0|0,0,2]=4 6982 B13R0.193 CCCC(=O)COC(C)CCCOC 7a_200011539412_100000747444 [1,1,0,0,0,0|2,0,0]=4 6983 B13R0.193 CCCC(=O)OCC(=O)CCCCO 1458a_100000695505_100000034017 [1,1,0,0,0,0|1,0,1]=4 6984 B13R0.193 CCCC(=O)OCC(=O)CCCOC 1458a_100000741012_100000034017 [1,1,0,0,0,0|1,0,1]=4 6985 B13R0.193 CCCC(=O)OCC(=O)CCCSC 1458a_100000173376_100000034017 [1,1,0,0,0,0|1,0,1]=4 6986 B13R0.193 CCCC(=O)OCC(=O)CCOCC 1458a_100000749530_100000034017 [1,1,0,0,0,0|1,0,1]=4 6987 B13R0.193 CCCC(=O)OCC(=O)CCSCC 1458a_100000230768_100000034017 [1,1,0,0,0,0|1,0,1]=4 6988 B13R0.193 CCCC(=O)OCN(C)CCCCO 2230a_100000717598_100000034017 [1,1,0,0,0,0|2,0,0]=4 6989 B13R0.193 CCCC(=O)OCN(C)CCCCO 269982a_100000717598_100000034017 [1,1,0,0,0,0|2,0,0]=4 6990 B13R0.193 CCCC(=O)OCN(C)CCCOC 2230a_100000224831_100000034017 [1,1,0,0,0,0|2,0,0]=4 6991 B13R0.193 CCCC(=O)OCN(C)CCCOC 269982a_100000224831_100000034017 [1,1,0,0,0,0|2,0,0]=4 6992 B13R0.193 CCCCCC(=O)CCC(=O)NCC 1458a_100000199579_100000210326 [1,1,0,0,0,0|1,0,1]=4 6993 B13R0.193 CCCCCC(=O)CCC(=O)OCC 1458a_100000183558_100000210326 [1,1,0,0,0,0|1,0,1]=4 6994 B13R0.193 CCCCCC(=O)COC(=O)CCC 1458a_100000212188_100000034017 [1,1,0,0,0,0|0,0,1]=3 6995 B13R0.193 CCCCCC(C)CCC(=O)CC#N 1458a_100000034243_100011214920 [1,1,0,0,0,0|1,0,1]=4 6996 B13R0.193 CCCCCC(C)CCC(=O)CCC 1458a_100000034243_100000210303 [1,1,0,0,0,0|0,0,0]=2 6997 B13R0.193 CCCCCC(C)CCC(=O)CCF 1458a_100000034243_100011217306 [1,1,0,0,0,0|1,0,0]=3 6998 B13R0.193 CCCCCC(C)CCC(=O)CCO 1458a_100000034243_100000211926 [1,1,0,0,0,0|1,0,0]=3 6999 B13R0.193 CCCCCC(C)CCC(=O)NCC 11a_100015525214_100000034243 [1,1,0,0,0,0|1,0,0]=3 7000 B13R0.193 CCCCCC(C)CCC(=O)NCC 240690a_100015525214_100000034243 [1,1,0,0,0,0|1,0,0]=3 7001 B13R0.193 CCCCCC(C)CCC(=O)NCC 527a_100015525214_100000034243 [1,1,0,0,0,0|1,0,0]=3 7002 B13R0.193 CCCCCC(C)CCC(=O)NNC 22a_100016993582_100000034243 [1,1,0,0,0,0|2,0,0]=4 7003 B13R0.193 CCCCCC(C)NCC(=O)CCC 2230a_100000211957_100000747444 [1,1,0,0,0,0|1,0,0]=3 7004 B13R0.193 CCCCCC(C)NCC(=O)NCC 2230a_100000211957_100000183381 [1,1,0,0,0,0|2,0,0]=4 7005 B13R0.193 CCCCCC(C)NCC(=O)NCC 2230a_100016988866_200011218191 [1,1,0,0,0,0|2,0,0]=4 7006 B13R0.193 CCCCCC(C)NCC(=O)NCC 270004a_100016988866_100000211708 [1,1,0,0,0,0|2,0,0]=4 7007 B13R0.193 CCCCCC(C)NCC(=O)OCC 2230a_100000211957_100000188475 [1,1,0,0,0,0|2,0,0]=4 7008 B13R0.193 CCCCCC(C)OCC(=O)CCC 7a_100011215632_100000747444 [1,1,0,0,0,0|1,0,0]=3 7009 B13R0.193 CCCCCC(C)OCC(=O)NCC 34a_100011215632_100000183381 [1,1,0,0,0,0|2,0,0]=4 7010 B13R0.193 CCCCCC(C)OCC(=O)NCC 7a_100011215632_100000183381 [1,1,0,0,0,0|2,0,0]=4 7011 B13R0.193 CCCCCC(C)OCC(=O)OCC 34a_100011215632_100000188475 [1,1,0,0,0,0|2,0,0]=4 7012 B13R0.193 CCCCCC(C)OCC(=O)OCC 7a_100011215632_100000188475 [1,1,0,0,0,0|2,0,0]=4 7013 B13R0.193 CCCCCC(C)SCC(=O)CCC 62a_100000747444_200011218191 [1,1,0,0,0,0|1,0,0]=3 7014 B13R0.193 CCCCCC(C)SCC(=O)CCC 62a_200011218191_100000747444 [1,1,0,0,0,0|1,0,0]=3 7015 B13R0.193 CCCCCC(C)SCC(=O)NCC 62a_100000183381_200011218191 [1,1,0,0,0,0|2,0,0]=4 7016 B13R0.193 CCCCCC(C)SCC(=O)NCC 62a_200011218191_100000183381 [1,1,0,0,0,0|2,0,0]=4 7017 B13R0.193 CCCCCC(C)SCC(=O)OCC 62a_100000188475_200011218191 [1,1,0,0,0,0|2,0,0]=4 7018 B13R0.193 CCCCCC(C)SCC(=O)OCC 62a_200011218191_100000188475 [1,1,0,0,0,0|2,0,0]=4 7019 B13R0.193 CCCCCN(C)CCC(=O)CCC 1458a_100016987678_100000210303 [1,1,0,0,0,0|1,0,0]=3 7020 B13R0.193 CCCCCN(C)CCC(=O)CCF 1458a_100016987678_100011217306 [1,1,0,0,0,0|2,0,0]=4 7021 B13R0.193 CCCCCN(C)CCC(=O)CCO 1458a_100016987678_100000211926 [1,1,0,0,0,0|2,0,0]=4 7022 B13R0.193 CCCCCN(C)CCC(=O)NCC 2230a_100000223495_100000737597 [1,1,0,0,0,0|2,0,0]=4 7023 B13R0.193 CCCCCN(C)CCC(=O)NCC 240690a_100015525214_100016987678 [1,1,0,0,0,0|2,0,0]=4 7024 B13R0.193 CCCCCN(C)CCC(=O)NCC 269982a_100000223495_100000737597 [1,1,0,0,0,0|2,0,0]=4 7025 B13R0.193 CCCCCN(C)CCC(=O)OCC 2230a_100000223495_100011206558 [1,1,0,0,0,0|2,0,0]=4 7026 B13R0.193 CCCCCN(C)CCC(=O)OCC 2230a_100000745921_100000210326 [1,1,0,0,0,0|2,0,0]=4 7027 B13R0.193 CCCCCN(C)CCC(=O)OCC 269982a_100000223495_100011206558 [1,1,0,0,0,0|2,0,0]=4 7028 B13R0.193 CCCCCN(C)CCC(=O)OCC 269982a_100000745921_100000210215 [1,1,0,0,0,0|2,0,0]=4 7029 B13R0.193 CCCCCN(C)COC(=O)CCC 2230a_100000223495_100000034017 [1,1,0,0,0,0|1,0,0]=3 7030 B13R0.193 CCCCCN(C)COC(=O)CCC 269982a_100000223495_100000034017 [1,1,0,0,0,0|1,0,0]=3 7031 B13R0.193 CCCCNC(C)CCC(=O)OCC 2230a_100000102301_100000748298 [1,1,0,0,0,0|2,0,0]=4 7032 B13R0.193 CCCCNC(C)CCC(=O)OCC 7a_106832991798_100000748298 [1,1,0,0,0,0|2,0,0]=4 7033 B13R0.193 CCCCOC(C)CCC(=O)OCC 34a_100000210227_100000748298 [1,1,0,0,0,0|2,0,0]=4 7034 B13R0.193 CCCCOC(C)CCC(=O)OCC 7a_100000210227_100000748298 [1,1,0,0,0,0|2,0,0]=4 7035 B13R0.193 CCCCSC(C)CCC(=O)OCC 62a_100000210211_100000748298 [1,1,0,0,0,0|2,0,0]=4 7036 B13R0.193 CCCCSC(C)CCC(=O)OCC 62a_100000748298_100000210210 [1,1,0,0,0,0|2,0,0]=4 7037 B13R0.193 CCCOCC(=O)COC(=O)CCC 1458a_100000745993_100000034017 [1,1,0,0,0,0|1,0,1]=4 7038 B13R0.193 CCCSCC(=O)COC(=O)CCC 1458a_100000217233_100000034017 [1,1,0,0,0,0|1,0,1]=4 7039 B13R0.275 C#CCC(=O)C(C)CCCCCCC 1458a_100011220946_200011218727 [1,1,0,0,0,0|0,0,2]=4 7040 B13R0.275 C=CCC(=O)C(C)CCCCCCC 1458a_100000210193_200011218727 [1,1,0,0,0,0|0,0,2]=4 7041 B13R0.275 CC#CC(=O)C(C)CCCCCCC 1458a_100000763181_200011218727 [1,1,0,0,0,0|0,0,2]=4 7042 B13R0.275 CC=CC(=O)C(C)CCCCCCC 1458a_100000210699_200011218727 [1,1,0,0,0,0|0,0,2]=4 7043 B13R0.275 CCCCCCCC(=O)C(=O)NCC 1458a_200011297158_100000210614 [1,1,0,0,0,0|1,0,1]=4 7044 B13R0.275 CCCCCCCC(C)C(=O)CC#N 1458a_100051588842_200011218727 [1,1,0,0,0,0|1,0,1]=4 7045 B13R0.275 CCCCCCCC(C)C(=O)CCC 1458a_100000211992_200011218727 [1,1,0,0,0,0|0,0,0]=2 7046 B13R0.275 CCCCCCCC(C)C(=O)CCO 1458a_100011216618_200011218727 [1,1,0,0,0,0|1,0,0]=3 7047 B13R0.275 CCCCCCCC(C)C(=O)COC 1458a_100000210968_200011218727 [1,1,0,0,0,0|1,0,0]=3 7048 B13R0.275 CCCCCCCC(C)C(=O)CSC 1458a_100000184570_200011218727 [1,1,0,0,0,0|1,0,0]=3 7049 B13R0.275 CCCCCCCC(C)N(C)CCC 2230a_100000747261_200011218727 [1,1,0,0,0,0|2,0,0]=4 7050 B13R0.275 CCCCCCCC(C)N(C)CCC 269982a_100000747261_200011218727 [1,1,0,0,0,0|2,0,0]=4 7051 B13R0.275 CCCCCCCC(C)N(C)CCC 270004a_100000747261_100000210596 [1,1,0,0,0,0|2,0,0]=4 7052 B13R0.275 CCCCCCCN(C)C(=O)CCC 11a_100000228206_100000211992 [1,1,0,0,0,0|1,0,0]=3 7053 B13R0.275 CCCCCCCN(C)C(=O)CCC 1626a_100000228206_100000211992 [1,1,0,0,0,0|1,0,0]=3 7054 B13R0.275 CCCCCCCN(C)C(=O)CCC 240690a_100000228206_100000211992 [1,1,0,0,0,0|1,0,0]=3 7055 B13R0.275 CCCCCCCN(C)C(=O)CCC 527a_100000228206_100000211992 [1,1,0,0,0,0|1,0,0]=3 7056 B13R0.275 CCCCCCCN(C)C(=O)CCO 240690a_100000228206_100011216618 [1,1,0,0,0,0|2,0,0]=4 7057 B13R0.275 CCCCCCCN(C)C(=O)COC 11a_100000228206_100000210968 [1,1,0,0,0,0|2,0,0]=4 7058 B13R0.275 CCCCCCCN(C)C(=O)COC 1626a_100000228206_100000210968 [1,1,0,0,0,0|2,0,0]=4 7059 B13R0.275 CCCCCCCN(C)C(=O)COC 240690a_100000228206_100000210968 [1,1,0,0,0,0|2,0,0]=4 7060 B13R0.275 CCCCCCCN(C)C(=O)COC 527a_100000228206_100000210968 [1,1,0,0,0,0|2,0,0]=4 7061 B13R0.275 CCCCCCCN(C)C(=O)CSC 11a_100000228206_100000184570 [1,1,0,0,0,0|2,0,0]=4 7062 B13R0.275 CCCCCCCN(C)C(=O)CSC 1626a_100000228206_100000184570 [1,1,0,0,0,0|2,0,0]=4 7063 B13R0.275 CCCCCCCN(C)C(=O)CSC 240690a_100000228206_100000184570 [1,1,0,0,0,0|2,0,0]=4 7064 B13R0.275 CCCCCCCN(C)C(=O)CSC 527a_100000228206_100000184570 [1,1,0,0,0,0|2,0,0]=4 7065 B13R0.275 CCCCCCCN(C)C(=O)NCC 2708a_100015525214_100000228206 [1,1,0,0,0,0|2,0,0]=4 7066 B13R0.275 CCCCCCCN(C)C(=O)NCC 273464a_100015525214_100000228206 [1,1,0,0,0,0|2,0,0]=4 7067 B13R0.275 CCCCCCNC(C)C(=O)NCC 2230a_100000210581_100000230173 [1,1,0,0,0,0|2,0,0]=4 7068 B13R0.275 CCCCCCNC(C)C(=O)NCC 2230a_100000736553_100000210314 [1,1,0,0,0,0|2,0,0]=4 7069 B13R0.275 CCCCCCNC(C)C(=O)NCC 34a_100000736553_100000210314 [1,1,0,0,0,0|2,0,0]=4 7070 B13R0.275 CCCCCCNC(C)C(=O)OCC 2230a_100000210581_100011215307 [1,1,0,0,0,0|2,0,0]=4 7071 B13R0.275 CCCCCCNC(F)C(=O)OCC 2230a_100000210581_100000760018 [1,1,0,0,0,0|2,0,0]=4 7072 B13R0.275 CCCCCCN[C@@H](C)C(=O)SCC 2230a_100103168634_100000210314 [1,1,0,0,0,0|2,0,0]=4 7073 B13R0.275 CCCCCCOC(C)C(=O)NCC 34a_100000210259_100000230173 [1,1,0,0,0,0|2,0,0]=4 7074 B13R0.275 CCCCCCOC(C)C(=O)NCC 7a_100000210259_100000230173 [1,1,0,0,0,0|2,0,0]=4 7075 B13R0.275 CCCCCCOC(C)C(=O)OCC 34a_100000210259_100011216346 [1,1,0,0,0,0|2,0,0]=4 7076 B13R0.275 CCCCCCOC(C)C(=O)OCC 7a_100000210259_100011216346 [1,1,0,0,0,0|2,0,0]=4 7077 B13R0.275 CCCCCCOC(F)C(=O)OCC 34a_100000210259_100000760018 [1,1,0,0,0,0|2,0,0]=4 7078 B13R0.275 CCCCCCOC(F)C(=O)OCC 7a_100000210259_100000040065 [1,1,0,0,0,0|2,0,0]=4 7079 B13R0.275 CCCCCCO[C@@H](C)C(=O)OCC 7a_100000751109_100000210314 [1,1,0,0,0,0|2,0,0]=4 7080 B13R0.275 CCCCCCSC(C)C(=O)NCC 62a_100000210314_100000230173 [1,1,0,0,0,0|2,0,0]=4 7081 B13R0.275 CCCCCCSC(C)C(=O)NCC 62a_100000230173_100000210757 [1,1,0,0,0,0|2,0,0]=4 7082 B13R0.275 CCCCCCSC(C)C(=O)OCC 62a_100000210314_100011216346 [1,1,0,0,0,0|2,0,0]=4 7083 B13R0.275 CCCCCCSC(C)C(=O)OCC 62a_100011216346_100000210757 [1,1,0,0,0,0|2,0,0]=4 7084 B13R0.275 CCCCCCSC(F)C(=O)OCC 62a_100000210314_100000760018 [1,1,0,0,0,0|2,0,0]=4 7085 B13R0.275 CCCCCCSC(F)C(=O)OCC 62a_100000760018_100000210757 [1,1,0,0,0,0|2,0,0]=4 7086 B13R0.282 C#CC(CCC)OCCCCCCC 34a_200011217317_100000210614 [1,1,0,0,0,0|1,0,1]=4 7087 B13R0.282 C#CC(CCC)OCCCCCCC 7a_200011217317_100000210614 [1,1,0,0,0,0|1,0,1]=4 7088 B13R0.282 C=CC(CCC)OCCCCCCC 34a_100011216692_100000210614 [1,1,0,0,0,0|1,0,1]=4 7089 B13R0.282 C=CC(CCC)OCCCCCCC 7a_100011216692_100000210614 [1,1,0,0,0,0|1,0,1]=4 7090 B13R0.282 CCCCCCCCC(CCC)NC 270004a_106832991635_200011216056 [1,1,0,0,0,0|1,0,1]=4 7091 B13R0.282 CCCCCCCCC(CCC)OC 34a_200011218034_200000210301 [1,1,0,0,0,0|0,0,2]=4 7092 B13R0.282 CCCCCCCCC(CCC)OC 7a_200011218034_200000210301 [1,1,0,0,0,0|0,0,2]=4 7093 B13R0.282 CCCCCCCCC(CCC)O[13CH3] 34a_200011218034_200025704644 [1,1,0,0,0,0|0,0,2]=4 7094 B13R0.282 CCCCCCCCC(CCC)O[13CH3] 7a_200011218034_200025704644 [1,1,0,0,0,0|0,0,2]=4 7095 B13R0.282 CCCCCCCCN(CC)CCC 2230a_100000226822_100000210759 [1,1,0,0,0,0|2,0,0]=4 7096 B13R0.282 CCCCCCCCN(CC)CCC 269982a_100000226822_100000210759 [1,1,0,0,0,0|2,0,0]=4 7097 B13R0.282 CCCCCCCOC(C#N)CCC 34a_100000686963_100000210614 [1,1,0,0,0,0|1,0,1]=4 7098 B13R0.282 CCCCCCCOC(C#N)CCC 7a_100000686963_100000210614 [1,1,0,0,0,0|1,0,1]=4 7099 B13R0.282 CCCCCCCOC(CC)CCC 34a_100000687864_100000210614 [1,1,0,0,0,0|1,0,1]=4 7100 B13R0.282 CCCCCCCOC(CC)CCC 7a_100000210272_100011219200 [1,1,0,0,0,0|1,0,1]=4 7101 B13R0.282 CCCCCCCOC(CC)CCC 7a_100000687864_100000210614 [1,1,0,0,0,0|1,0,1]=4 7102 B13R0.330 C=C(CCC)CC(=O)CCCCCC 1458a_100000138376_100000210757 [1,1,0,0,0,0|1,0,1]=4 7103 B13R0.330 CCCC(=O)CC(=O)CCCCCO 1458a_100102619762_100000747444 [1,1,0,0,0,0|1,0,1]=4 7104 B13R0.330 CCCC(=O)CN(C)CCCCCO 2230a_100000722520_100000747444 [1,1,0,0,0,0|2,0,0]=4 7105 B13R0.330 CCCC(=O)CN(C)CCCCCO 269982a_100000722520_100000747444 [1,1,0,0,0,0|2,0,0]=4 7106 B13R0.330 CCCCCCC(=O)CC(=O)CCC 1458a_100102632555_100000747444 [1,1,0,0,0,0|0,0,1]=3 7107 B13R0.330 CCCCCCC(=O)CC(=O)NCC 1458a_100102632555_100000183381 [1,1,0,0,0,0|1,0,1]=4 7108 B13R0.330 CCCCCCC(=O)CC(=O)OCC 1458a_100000243816_100000210757 [1,1,0,0,0,0|1,0,1]=4 7109 B13R0.330 CCCCCCC(=O)CC(=O)OCC 1458a_100102632555_100000188475 [1,1,0,0,0,0|1,0,1]=4 7110 B13R0.330 CCCCCCC(=O)CS(=O)CCC 1458a_100011387404_100000210757 [1,1,0,0,0,0|1,0,1]=4 7111 B13R0.330 CCCCCCC(C)NC(=O)CCC 11a_100000210919_100000211992 [1,1,0,0,0,0|1,0,0]=3 7112 B13R0.330 CCCCCCC(C)NC(=O)CCC 1626a_100000210919_100000211992 [1,1,0,0,0,0|1,0,0]=3 7113 B13R0.330 CCCCCCC(C)NC(=O)CCC 240690a_100000210919_100000211992 [1,1,0,0,0,0|1,0,0]=3 7114 B13R0.330 CCCCCCC(C)NC(=O)CCC 527a_100000210919_100000211992 [1,1,0,0,0,0|1,0,0]=3 7115 B13R0.330 CCCCCCC(C)NC(=O)CCO 240690a_100000210919_100011216618 [1,1,0,0,0,0|2,0,0]=4 7116 B13R0.330 CCCCCCC(C)NC(=O)CNC 2230a_106832991635_100000230341 [1,1,0,0,0,0|2,0,0]=4 7117 B13R0.330 CCCCCCC(C)NC(=O)CNC 34a_100102657272_100000230341 [1,1,0,0,0,0|2,0,0]=4 7118 B13R0.330 CCCCCCC(C)NC(=O)CNC 7a_106832991635_100000230341 [1,1,0,0,0,0|2,0,0]=4 7119 B13R0.330 CCCCCCC(C)NC(=O)COC 11a_100000210919_100000210968 [1,1,0,0,0,0|2,0,0]=4 7120 B13R0.330 CCCCCCC(C)NC(=O)COC 1626a_100000210919_100000210968 [1,1,0,0,0,0|2,0,0]=4 7121 B13R0.330 CCCCCCC(C)NC(=O)COC 240690a_100000210919_100000210968 [1,1,0,0,0,0|2,0,0]=4 7122 B13R0.330 CCCCCCC(C)NC(=O)COC 34a_100138415774_100000230341 [1,1,0,0,0,0|2,0,0]=4 7123 B13R0.330 CCCCCCC(C)NC(=O)COC 527a_100000210919_100000210968 [1,1,0,0,0,0|2,0,0]=4 7124 B13R0.330 CCCCCCC(C)NC(=O)CSC 11a_100000210919_100000184570 [1,1,0,0,0,0|2,0,0]=4 7125 B13R0.330 CCCCCCC(C)NC(=O)CSC 1626a_100000210919_100000184570 [1,1,0,0,0,0|2,0,0]=4 7126 B13R0.330 CCCCCCC(C)NC(=O)CSC 240690a_100000210919_100000184570 [1,1,0,0,0,0|2,0,0]=4 7127 B13R0.330 CCCCCCC(C)NC(=O)CSC 527a_100000210919_100000184570 [1,1,0,0,0,0|2,0,0]=4 7128 B13R0.330 CCCCCCC(C)NC(=O)CSC 62a_100000230341_200000210301 [1,1,0,0,0,0|2,0,0]=4 7129 B13R0.330 CCCCCCC(C)NC(=O)CSC 62a_200000210301_100000230341 [1,1,0,0,0,0|2,0,0]=4 7130 B13R0.330 CCCCCCC(C)NC(=O)CS[13CH3] 62a_100000230341_200025704644 [1,1,0,0,0,0|2,0,0]=4 7131 B13R0.330 CCCCCCC(C)NC(=O)CS[13CH3] 62a_200025704644_100000230341 [1,1,0,0,0,0|2,0,0]=4 7132 B13R0.330 CCCCCCC(C)NC(=O)NCC 2708a_100000210919_100015525214 [1,1,0,0,0,0|2,0,0]=4 7133 B13R0.330 CCCCCCC(C)NC(=O)NCC 2708a_100015525214_100000210919 [1,1,0,0,0,0|2,0,0]=4 7134 B13R0.330 CCCCCCC(C)NC(=O)NCC 273464a_100000210919_100015525214 [1,1,0,0,0,0|2,0,0]=4 7135 B13R0.330 CCCCCCC(C)NC(=O)NCC 273464a_100015525214_100000210919 [1,1,0,0,0,0|2,0,0]=4 7136 B13R0.330 CCCCCCC(C)NC(=O)NCC 512a_100000210919_100015525214 [1,1,0,0,0,0|2,0,0]=4 7137 B13R0.330 CCCCCCC(C)NC(=O)NCC 512a_100015525214_100000210919 [1,1,0,0,0,0|2,0,0]=4 7138 B13R0.330 CCCCCCC(C)OC(C)CCC 34a_100000210265_100000766640 [1,1,0,0,0,0|1,0,1]=4 7139 B13R0.330 CCCCCCC(C)OC(C)CCC 34a_100000764384_100011215978 [1,1,0,0,0,0|1,0,1]=4 7140 B13R0.330 CCCCCCC(C)OC(C)CCC 7a_100000210265_100000766640 [1,1,0,0,0,0|1,0,1]=4 7141 B13R0.330 CCCCCCC(C)OC(C)CCC 7a_100000764384_100011215978 [1,1,0,0,0,0|1,0,1]=4 7142 B13R0.330 CCCCCCN(C)CC(=O)CCC 2230a_106256046315_100000747444 [1,1,0,0,0,0|1,0,0]=3 7143 B13R0.330 CCCCCCN(C)CC(=O)CCC 269982a_106256046315_100000747444 [1,1,0,0,0,0|1,0,0]=3 7144 B13R0.330 CCCCCCN(C)CC(=O)NCC 2230a_100000741943_100000210314 [1,1,0,0,0,0|2,0,0]=4 7145 B13R0.330 CCCCCCN(C)CC(=O)NCC 2230a_106256046315_100000183381 [1,1,0,0,0,0|2,0,0]=4 7146 B13R0.330 CCCCCCN(C)CC(=O)NCC 269982a_100000741943_100000210757 [1,1,0,0,0,0|2,0,0]=4 7147 B13R0.330 CCCCCCN(C)CC(=O)NCC 269982a_106256046315_100000183381 [1,1,0,0,0,0|2,0,0]=4 7148 B13R0.330 CCCCCCN(C)CC(=O)OCC 2230a_100000220588_100000210314 [1,1,0,0,0,0|2,0,0]=4 7149 B13R0.330 CCCCCCN(C)CC(=O)OCC 2230a_106256046315_100000188475 [1,1,0,0,0,0|2,0,0]=4 7150 B13R0.330 CCCCCCN(C)CC(=O)OCC 269982a_106256046315_100000188475 [1,1,0,0,0,0|2,0,0]=4 7151 B13R0.330 CCCCCNC(=O)CC(=O)CCC 1458a_100000211992_100000230301 [1,1,0,0,0,0|1,0,1]=4 7152 B13R0.330 CCCCCNC(C)CC(=O)OCC 2230a_100000209983_100009817359 [1,1,0,0,0,0|2,0,0]=4 7153 B13R0.330 CCCCCOC(C)CC(=O)OCC 7a_100000210253_100009817359 [1,1,0,0,0,0|2,0,0]=4 7154 B13R0.330 CCCCCO[C@H](C)CC(=O)OCC 7a_100009816390_100000210326 [1,1,0,0,0,0|2,0,0]=4 7155 B13R0.330 CCCCCSC(C)CC(=O)OCC 62a_100000210326_100009817359 [1,1,0,0,0,0|2,0,0]=4 7156 B13R0.330 CCCCCSC(C)CC(=O)OCC 62a_100009817359_100000210326 [1,1,0,0,0,0|2,0,0]=4 7157 B13R0.330 CCCCCSC(C)OC(=O)OCC 62a_100000036008_100000210326 [1,1,0,0,0,0|2,0,0]=4 7158 B13R0.330 CCCCCSC(C)OC(=O)OCC 62a_100000210326_100000036008 [1,1,0,0,0,0|2,0,0]=4 7159 B13R0.330 CCCCNC[C@@H](O)CC(=O)OCC 7a_106832991798_100000688340 [1,1,0,0,0,0|2,0,0]=4 7160 B13R0.330 CCCCOCC(=O)CC(=O)CCC 1458a_100000757543_100000747444 [1,1,0,0,0,0|1,0,1]=4 7161 B13R0.330 CCCCOC[C@@H](O)CC(=O)OCC 34a_100000210227_100000688340 [1,1,0,0,0,0|2,0,0]=4 7162 B13R0.330 CCCCOC[C@@H](O)CC(=O)OCC 7a_100000210227_100000688340 [1,1,0,0,0,0|2,0,0]=4 7163 B13R0.330 CCCCSCC(=O)CC(=O)CCC 1458a_100000191162_100000747444 [1,1,0,0,0,0|1,0,1]=4 7164 B13R0.330 CCCCSC[C@@H](O)CC(=O)OCC 62a_100000210211_100000688340 [1,1,0,0,0,0|2,0,0]=4 7165 B13R0.330 CCCCSC[C@@H](O)CC(=O)OCC 62a_100000688340_100000210210 [1,1,0,0,0,0|2,0,0]=4 7166 B13R0.335 C#CCCCCCCC(=O)CC(C)C 1458a_100000034748_100000210624 [1,1,0,0,0,0|0,0,2]=4 7167 B13R0.335 C#CCCCCCCC(=O)CC(C)C 1458a_100000210554_100012276617 [1,1,0,0,0,0|0,0,2]=4 7168 B13R0.335 C#CCCCCCCC(=O)CC(C)O 1458a_100000034748_100011218427 [1,1,0,0,0,0|0,0,2]=4 7169 B13R0.335 C#CCCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100012276617 [1,1,0,0,0,0|0,0,2]=4 7170 B13R0.335 C=C(C)CC(=O)CCCCCCCC 1458a_100000210188_100000748629 [1,1,0,0,0,0|0,0,1]=3 7171 B13R0.335 C=C(C)CC(=O)CCCCCCCO 1458a_100011219782_100000748629 [1,1,0,0,0,0|1,0,1]=4 7172 B13R0.335 C=C(F)CC(=O)CCCCCCCC 1458a_100000210188_100009893438 [1,1,0,0,0,0|0,0,2]=4 7173 B13R0.335 C=CCCCCCCC(=O)CC(C)C 1458a_100000210554_100011215473 [1,1,0,0,0,0|0,0,2]=4 7174 B13R0.335 C=CCCCCCCC(=O)CC(C)C 1458a_100011809334_100000210624 [1,1,0,0,0,0|0,0,2]=4 7175 B13R0.335 C=CCCCCCCC(=O)CC(C)O 1458a_100011809334_100011218427 [1,1,0,0,0,0|0,0,2]=4 7176 B13R0.335 C=CCCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100011215473 [1,1,0,0,0,0|0,0,2]=4 7177 B13R0.335 CC(C)CC(=O)CCCCCCC#N 1458a_100000210554_100009813337 [1,1,0,0,0,0|1,0,1]=4 7178 B13R0.335 CC(C)CC(=O)CCCCCCCO 1458a_100000210554_100000760002 [1,1,0,0,0,0|1,0,0]=3 7179 B13R0.335 CC(C)CC(=O)CCCCCCCO 1458a_100011219782_100000210624 [1,1,0,0,0,0|1,0,0]=3 7180 B13R0.335 CC(C)CC(=O)NCCCCCCO 240690a_100000686447_100000210554 [1,1,0,0,0,0|2,0,0]=4 7181 B13R0.335 CC(C)CC(=O)NCCCCCCO 527a_100000686447_100000210554 [1,1,0,0,0,0|2,0,0]=4 7182 B13R0.335 CC(C)NC(=O)CCCCCCCO 240690a_100138425928_100011219782 [1,1,0,0,0,0|2,0,0]=4 7183 B13R0.335 CC(O)CC(=O)CCCCCCCO 1458a_100011219782_100011218427 [1,1,0,0,0,0|1,0,0]=3 7184 B13R0.335 CCCCC/C=C/CC(=O)CC(C)C 1458a_100020675968_100000210624 [1,1,0,0,0,0|0,0,2]=4 7185 B13R0.335 CCCCC/C=C/CC(=O)CC(C)O 1458a_100020675968_100011218427 [1,1,0,0,0,0|0,0,2]=4 7186 B13R0.335 CCCCCC#CCC(=O)CC(C)C 1458a_100000210554_100009816472 [1,1,0,0,0,0|0,0,2]=4 7187 B13R0.335 CCCCCC#CCC(=O)C[C@@H](C)O 1458a_100011933948_100009816472 [1,1,0,0,0,0|0,0,2]=4 7188 B13R0.335 CCCCCCC=CC(=O)CC(C)C 1458a_200015324643_100000210624 [1,1,0,0,0,0|0,0,2]=4 7189 B13R0.335 CCCCCCC=CC(=O)CC(C)O 1458a_200015324643_100011218427 [1,1,0,0,0,0|0,0,2]=4 7190 B13R0.335 CCCCCCCCC(=O)C=C(C)C 1458a_100000211388_100000210759 [1,1,0,0,0,0|0,0,2]=4 7191 B13R0.335 CCCCCCCCC(=O)C=C(C)Cl 1458a_200042562850_100000210759 [1,1,0,0,0,0|0,0,2]=4 7192 B13R0.335 CCCCCCCCC(=O)C=C(C)I 1458a_100025716642_100000210759 [1,1,0,0,0,0|0,0,2]=4 7193 B13R0.335 CCCCCCCCC(=O)CC(=O)N 1458a_100000210188_100000187820 [1,1,0,0,0,0|1,0,1]=4 7194 B13R0.335 CCCCCCCCC(=O)CC(=O)N 1458a_100134613110_100000210759 [1,1,0,0,0,0|1,0,1]=4 7195 B13R0.335 CCCCCCCCC(=O)CC(=O)[O-] 1458a_100000210188_100020667443 [1,1,0,0,0,0|1,0,1]=4 7196 B13R0.335 CCCCCCCCC(=O)CC(C)C 1458a_100000210188_100000210624 [1,1,0,0,0,0|0,0,0]=2 7197 B13R0.335 CCCCCCCCC(=O)CC(C)C 1458a_100000210554_100000210759 [1,1,0,0,0,0|0,0,0]=2 7198 B13R0.335 CCCCCCCCC(=O)CC(C)O 1458a_100000210188_100011218427 [1,1,0,0,0,0|0,0,0]=2 7199 B13R0.335 CCCCCCCCC(=O)CC(F)F 1458a_100000210188_100011934356 [1,1,0,0,0,0|1,0,0]=3 7200 B13R0.335 CCCCCCCCC(=O)CN(C)C 1458a_100000750896_100000210759 [1,1,0,0,0,0|1,0,0]=3 7201 B13R0.335 CCCCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210759 [1,1,0,0,0,0|0,0,0]=2 7202 B13R0.335 CCCCCCCCC(=O)C[N+](=O)[O-] 1458a_100000210188_100000761209 [1,1,0,0,0,0|2,0,0]=4 7203 B13R0.335 CCCCCCCCC(=O)C[S+](C)C 1458a_200159257847_100000210759 [1,1,0,0,0,0|1,0,0]=3 7204 B13R0.335 CCCCCCCCC(=O)NC(C)C 11a_100138425928_100000210188 [1,1,0,0,0,0|1,0,0]=3 7205 B13R0.335 CCCCCCCCC(=O)NC(C)C 1626a_100138425928_100000210188 [1,1,0,0,0,0|1,0,0]=3 7206 B13R0.335 CCCCCCCCC(=O)NC(C)C 240690a_100138425928_100000210188 [1,1,0,0,0,0|1,0,0]=3 7207 B13R0.335 CCCCCCCCC(=O)NC(C)C 527a_100138425928_100000210188 [1,1,0,0,0,0|1,0,0]=3 7208 B13R0.335 CCCCCCCCN(C)CC(C)C 2230a_100000207567_100000210760 [1,1,0,0,0,0|2,0,0]=4 7209 B13R0.335 CCCCCCCCN(C)CC(C)C 2230a_100000747067_100000210759 [1,1,0,0,0,0|2,0,0]=4 7210 B13R0.335 CCCCCCCCN(C)CC(C)C 269982a_100000207567_100000210624 [1,1,0,0,0,0|2,0,0]=4 7211 B13R0.335 CCCCCCCCN(C)CC(C)C 269982a_100000747067_100000210759 [1,1,0,0,0,0|2,0,0]=4 7212 B13R0.335 CCCCCCCCN(C)CC(C)C 270004a_100000207567_100000210432 [1,1,0,0,0,0|2,0,0]=4 7213 B13R0.335 CCCCCCCCN(C)CC(C)O 2230a_100000207567_100011218427 [1,1,0,0,0,0|2,0,0]=4 7214 B13R0.335 CCCCCCCCN(C)CC(C)O 2230a_100000227577_100000210759 [1,1,0,0,0,0|2,0,0]=4 7215 B13R0.335 CCCCCCCCN(C)CC(C)O 269982a_100000207567_100011218427 [1,1,0,0,0,0|2,0,0]=4 7216 B13R0.335 CCCCCCCCN(C)CC(C)O 269982a_100000227577_100000210759 [1,1,0,0,0,0|2,0,0]=4 7217 B13R0.335 CCCCCCCCN(C)C[C@@H](C)O 2230a_100000207567_100009817552 [1,1,0,0,0,0|2,0,0]=4 7218 B13R0.335 CCCCCCCCN(C)C[C@@H](C)O 269982a_100000207567_100009817552 [1,1,0,0,0,0|2,0,0]=4 7219 B13R0.335 CCCCCCCNC(=O)CC(C)C 11a_100000229938_100000210554 [1,1,0,0,0,0|1,0,0]=3 7220 B13R0.335 CCCCCCCNC(=O)CC(C)C 1626a_100000229938_100000210554 [1,1,0,0,0,0|1,0,0]=3 7221 B13R0.335 CCCCCCCNC(=O)CC(C)C 240690a_100000229938_100000210554 [1,1,0,0,0,0|1,0,0]=3 7222 B13R0.335 CCCCCCCNC(=O)CC(C)C 527a_100000229938_100000210554 [1,1,0,0,0,0|1,0,0]=3 7223 B13R0.335 CCCCCCCNC(=O)CN(C)C 11a_100000229938_100000750896 [1,1,0,0,0,0|2,0,0]=4 7224 B13R0.335 CCCCCCCNC(=O)CN(C)C 240690a_100000229938_100000750896 [1,1,0,0,0,0|2,0,0]=4 7225 B13R0.335 CCCCCCCNC(=O)CN(C)C 527a_100000229938_100000750896 [1,1,0,0,0,0|2,0,0]=4 7226 B13R0.335 CCCCCCCNC(=O)C[C@@H](C)O 240690a_100000229938_100011933948 [1,1,0,0,0,0|1,0,0]=3 7227 B13R0.335 CCCCCCCNC(=O)C[S+](C)C 11a_100000229938_200159257847 [1,1,0,0,0,0|2,0,0]=4 7228 B13R0.335 CCCCCCCNC(=O)C[S+](C)C 1626a_100000229938_200159257847 [1,1,0,0,0,0|2,0,0]=4 7229 B13R0.335 CCCCCCCNC(=O)C[S+](C)C 240690a_100000229938_200159257847 [1,1,0,0,0,0|2,0,0]=4 7230 B13R0.335 CCCCCCCNC(=O)C[S+](C)C 527a_100000229938_200159257847 [1,1,0,0,0,0|2,0,0]=4 7231 B13R0.335 CCCCCCCNC(=O)NC(C)C 2708a_100000229938_100138425928 [1,1,0,0,0,0|2,0,0]=4 7232 B13R0.335 CCCCCCCNC(=O)NC(C)C 2708a_100138425928_100000229938 [1,1,0,0,0,0|2,0,0]=4 7233 B13R0.335 CCCCCCCNC(=O)NC(C)C 273464a_100138425928_100000229938 [1,1,0,0,0,0|2,0,0]=4 7234 B13R0.335 CCCCCCCNC(=O)NC(C)C 512a_100000229938_100138425928 [1,1,0,0,0,0|2,0,0]=4 7235 B13R0.335 CCCCCCCNC(=O)NC(C)C 512a_100138425928_100000229938 [1,1,0,0,0,0|2,0,0]=4 7236 B13R0.335 CCCCCCCOC(C)CC(C)C 34a_100000210272_100000731052 [1,1,0,0,0,0|1,0,1]=4 7237 B13R0.335 CCCCCCCOC(C)CC(C)C 34a_100000211805_100000210614 [1,1,0,0,0,0|1,0,1]=4 7238 B13R0.335 CCCCCCCOC(C)CC(C)C 7a_100000210272_100000731052 [1,1,0,0,0,0|1,0,1]=4 7239 B13R0.335 CCCCCCCOC(C)CC(C)C 7a_100000211805_100000210614 [1,1,0,0,0,0|1,0,1]=4 7240 B13R0.335 CCCCCCNCC(=O)NC(C)C 2230a_100000168517_100000210314 [1,1,0,0,0,0|2,0,0]=4 7241 B13R0.335 CCCCCCNCC(=O)NC(C)C 2230a_100000210581_100000183996 [1,1,0,0,0,0|2,0,0]=4 7242 B13R0.335 CCCCCCNCC(=O)OC(C)C 2230a_100000210581_100011215430 [1,1,0,0,0,0|2,0,0]=4 7243 B13R0.335 CCCCCCOCC(=O)NC(C)C 34a_100000210259_100000183996 [1,1,0,0,0,0|2,0,0]=4 7244 B13R0.335 CCCCCCOCC(=O)NC(C)C 7a_100000210259_100000183996 [1,1,0,0,0,0|2,0,0]=4 7245 B13R0.335 CCCCCCOCC(=O)OC(C)C 34a_100000210259_100011215430 [1,1,0,0,0,0|2,0,0]=4 7246 B13R0.335 CCCCCCOCC(=O)OC(C)C 7a_100000210259_100011215430 [1,1,0,0,0,0|2,0,0]=4 7247 B13R0.335 CCCCCCSCC(=O)NC(C)C 62a_100000183996_100000210757 [1,1,0,0,0,0|2,0,0]=4 7248 B13R0.335 CCCCCCSCC(=O)NC(C)C 62a_100000210314_100000183996 [1,1,0,0,0,0|2,0,0]=4 7249 B13R0.335 CCCCCCSCC(=O)OC(C)C 62a_100000210314_100011215430 [1,1,0,0,0,0|2,0,0]=4 7250 B13R0.335 CCCCCCSCC(=O)OC(C)C 62a_100011215430_100000210757 [1,1,0,0,0,0|2,0,0]=4 7251 B13R0.335 CCCCCNCCC(=O)NC(C)C 2230a_100000209983_100000737564 [1,1,0,0,0,0|2,0,0]=4 7252 B13R0.335 CCCCCNCCC(=O)OC(C)C 2230a_100000209983_100000760027 [1,1,0,0,0,0|2,0,0]=4 7253 B13R0.335 CCCCCOCCC(=O)NC(C)C 7a_100000210253_100000737564 [1,1,0,0,0,0|2,0,0]=4 7254 B13R0.335 CCCCCOCCC(=O)OC(C)C 7a_100000210253_100000760027 [1,1,0,0,0,0|2,0,0]=4 7255 B13R0.335 CCCCCSCCC(=O)NC(C)C 62a_100000210326_100000737564 [1,1,0,0,0,0|2,0,0]=4 7256 B13R0.335 CCCCCSCCC(=O)NC(C)C 62a_100000737564_100000210326 [1,1,0,0,0,0|2,0,0]=4 7257 B13R0.335 CCCCCSCCC(=O)OC(C)C 62a_100000210326_100000760027 [1,1,0,0,0,0|2,0,0]=4 7258 B13R0.335 CCCCCSCCC(=O)OC(C)C 62a_100000760027_100000210326 [1,1,0,0,0,0|2,0,0]=4 7259 B13R0.335 CCCCCSCOC(=O)OC(C)C 62a_100000003507_100000210326 [1,1,0,0,0,0|2,0,0]=4 7260 B13R0.335 CCCCCSCOC(=O)OC(C)C 62a_100000210326_100000003507 [1,1,0,0,0,0|2,0,0]=4 7261 B13R0.335 CCCCOCCOC(=O)CC(=O)C 34a_100000210227_100000102702 [1,1,0,0,0,0|1,0,1]=4 7262 B13R0.335 CCCCSCCNC(=O)CC(C)C 11a_100025743550_100000210554 [1,1,0,0,0,0|2,0,0]=4 7263 B13R0.335 CCCCSCCNC(=O)CC(C)C 1626a_100025743550_100000210554 [1,1,0,0,0,0|2,0,0]=4 7264 B13R0.335 CCCCSCCNC(=O)CC(C)C 240690a_100025743550_100000210554 [1,1,0,0,0,0|2,0,0]=4 7265 B13R0.335 CCCCSCCNC(=O)CC(C)C 527a_100025743550_100000210554 [1,1,0,0,0,0|2,0,0]=4 7266 B13R0.335 CCCCSCCNC(=O)C[C@@H](C)O 240690a_100025743550_100011933948 [1,1,0,0,0,0|2,0,0]=4 7267 B13R0.335 CCCCSCCOC(=O)CC(=O)C 62a_100000102702_100000210210 [1,1,0,0,0,0|1,0,1]=4 7268 B13R0.335 CCCCSCCOC(=O)CC(=O)C 62a_100000210211_100000102702 [1,1,0,0,0,0|1,0,1]=4 7269 B13R0.335 CCCOCCCNC(=O)CC(C)C 1626a_100011217757_100000210554 [1,1,0,0,0,0|2,0,0]=4 7270 B13R0.335 CCCOCCCNC(=O)CC(C)C 240690a_100011217757_100000210554 [1,1,0,0,0,0|2,0,0]=4 7271 B13R0.335 CCCOCCCNC(=O)CC(C)C 527a_100011217757_100000210554 [1,1,0,0,0,0|2,0,0]=4 7272 B13R0.335 CCCOCCCNC(=O)C[C@@H](C)O 240690a_100011217757_100011933948 [1,1,0,0,0,0|2,0,0]=4 7273 B13R0.335 CCNCCCCCC(=O)OC(C)C 2230a_100015525214_200010986244 [1,1,0,0,0,0|2,0,0]=4 7274 B13R0.335 CCOCCCCCC(=O)OC(C)C 34a_100121572206_200010986244 [1,1,0,0,0,0|2,0,0]=4 7275 B13R0.335 CCOCCOCCC(=O)CC(C)C 1458a_100000210554_100011211534 [1,1,0,0,0,0|2,0,0]=4 7276 B13R0.335 CCOCCOCCC(=O)C[C@@H](C)O 1458a_100011933948_100011211534 [1,1,0,0,0,0|2,0,0]=4 7277 B13R0.335 CCSCCCCCC(=O)OC(C)C 62a_100000210202_200010986244 [1,1,0,0,0,0|2,0,0]=4 7278 B13R0.335 CCSCCCCCC(=O)OC(C)C 62a_200010986244_100000210202 [1,1,0,0,0,0|2,0,0]=4 7279 B13R0.335 CN(C)CC(=O)CCCCCCCO 1458a_100000750896_100000760002 [1,1,0,0,0,0|2,0,0]=4 7280 B13R0.335 COCCCCCCC(=O)CC(C)C 1458a_100000210554_100011998445 [1,1,0,0,0,0|1,0,0]=3 7281 B13R0.335 COCCCCCCC(=O)CN(C)C 1458a_100000750896_100011998445 [1,1,0,0,0,0|2,0,0]=4 7282 B13R0.335 COCCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100011998445 [1,1,0,0,0,0|1,0,0]=3 7283 B13R0.335 COCCCCCCC(=O)C[S+](C)C 1458a_200159257847_100011998445 [1,1,0,0,0,0|2,0,0]=4 7284 B13R0.335 COCCCCCNC(=O)CC(C)C 11a_100000747528_100000210554 [1,1,0,0,0,0|2,0,0]=4 7285 B13R0.335 COCCCCCNC(=O)CC(C)C 1626a_100000747528_100000210554 [1,1,0,0,0,0|2,0,0]=4 7286 B13R0.335 COCCCCCNC(=O)CC(C)C 240690a_100000747528_100000210554 [1,1,0,0,0,0|2,0,0]=4 7287 B13R0.335 COCCCCCNC(=O)CC(C)C 527a_100000747528_100000210554 [1,1,0,0,0,0|2,0,0]=4 7288 B13R0.335 COCCCCCNC(=O)C[C@@H](C)O 240690a_100000747528_100011933948 [1,1,0,0,0,0|2,0,0]=4 7289 B13R0.335 COCCOCCCC(=O)CC(C)C 1458a_100000210554_100011216529 [1,1,0,0,0,0|2,0,0]=4 7290 B13R0.335 COCCOCCCC(=O)C[C@@H](C)O 1458a_100011933948_100011216529 [1,1,0,0,0,0|2,0,0]=4 7291 B13R0.335 C[C@@H](O)CC(=O)CCCCCCC#N 1458a_100011933948_100009813337 [1,1,0,0,0,0|1,0,1]=4 7292 B13R0.335 C[C@@H](O)CC(=O)CCCCCCCO 1458a_100011933948_100000760002 [1,1,0,0,0,0|1,0,0]=3 7293 B13R0.335 C[C@@H](O)CC(=O)NCCCCCCO 240690a_100000686447_100011933948 [1,1,0,0,0,0|2,0,0]=4 7294 B13R0.335 C[S+](C)CC(=O)CCCCCCCO 1458a_200159257847_100000760002 [1,1,0,0,0,0|2,0,0]=4 7295 B13R0.335 O=C(CCCCCCCO)CC(F)F 1458a_100011219782_100011934356 [1,1,0,0,0,0|2,0,0]=4 7296 B13R0.340 C#CC(C)C(=O)CCCCCCCC 1458a_100000210188_200000035995 [1,1,0,0,0,0|0,0,2]=4 7297 B13R0.340 C#CCCCCCCC(=O)C(C)CC 1458a_100000034748_100000758301 [1,1,0,0,0,0|0,0,2]=4 7298 B13R0.340 C#CCCCCCCC(=O)C(C)CC 1458a_100011192722_100012276617 [1,1,0,0,0,0|0,0,2]=4 7299 B13R0.340 C#CCCCCCCC(=O)C(O)CC 1458a_100011196387_100012276617 [1,1,0,0,0,0|0,0,2]=4 7300 B13R0.340 C/C=C(\C)/C(=O)CCCCCCCC 1458a_100020587367_100000210759 [1,1,0,0,0,0|0,0,2]=4 7301 B13R0.340 C=CC(C)C(=O)CCCCCCCC 1458a_100011216780_100000210759 [1,1,0,0,0,0|0,0,2]=4 7302 B13R0.340 C=CCCCCCCC(=O)C(C)CC 1458a_100011192722_100011215473 [1,1,0,0,0,0|0,0,2]=4 7303 B13R0.340 C=CCCCCCCC(=O)C(C)CC 1458a_100011809334_100000758301 [1,1,0,0,0,0|0,0,2]=4 7304 B13R0.340 C=CCCCCCCC(=O)C(O)CC 1458a_100011196387_100011215473 [1,1,0,0,0,0|0,0,2]=4 7305 B13R0.340 CCC(C)C(=O)CCCCCCC#N 1458a_100011192722_100009813337 [1,1,0,0,0,0|1,0,1]=4 7306 B13R0.340 CCC(C)C(=O)CCCCCCCO 1458a_100011192722_100000760002 [1,1,0,0,0,0|1,0,0]=3 7307 B13R0.340 CCC(C)C(=O)CCCCCCCO 1458a_100011219782_100000758301 [1,1,0,0,0,0|1,0,0]=3 7308 B13R0.340 CCC(C)C(=O)CCCCCCOC 1458a_100011192722_100011998445 [1,1,0,0,0,0|1,0,0]=3 7309 B13R0.340 CCC(C)C(=O)CCCOCCOC 1458a_100011192722_100011216529 [1,1,0,0,0,0|2,0,0]=4 7310 B13R0.340 CCC(C)C(=O)NCCCCCCO 240690a_100000686447_100011192722 [1,1,0,0,0,0|2,0,0]=4 7311 B13R0.340 CCC(C)C(=O)NCCCCCCO 527a_100000686447_100011192722 [1,1,0,0,0,0|2,0,0]=4 7312 B13R0.340 CCC(C)C(=O)NCCCCCOC 11a_100000747528_100011192722 [1,1,0,0,0,0|2,0,0]=4 7313 B13R0.340 CCC(C)C(=O)NCCCCCOC 1626a_100000747528_100011192722 [1,1,0,0,0,0|2,0,0]=4 7314 B13R0.340 CCC(C)C(=O)NCCCCCOC 240690a_100000747528_100011192722 [1,1,0,0,0,0|2,0,0]=4 7315 B13R0.340 CCC(C)C(=O)NCCCCCOC 527a_100000747528_100011192722 [1,1,0,0,0,0|2,0,0]=4 7316 B13R0.340 CCC(O)C(=O)CCCCCCC#N 1458a_100011196387_100009813337 [1,1,0,0,0,0|1,0,1]=4 7317 B13R0.340 CCC(O)C(=O)CCCCCCCO 1458a_100011196387_100000760002 [1,1,0,0,0,0|1,0,0]=3 7318 B13R0.340 CCC(O)C(=O)CCCCCCOC 1458a_100011196387_100011998445 [1,1,0,0,0,0|1,0,0]=3 7319 B13R0.340 CCC(O)C(=O)CCCOCCOC 1458a_100011196387_100011216529 [1,1,0,0,0,0|2,0,0]=4 7320 B13R0.340 CCC(O)C(=O)NCCCCCCO 240690a_100000686447_100011196387 [1,1,0,0,0,0|2,0,0]=4 7321 B13R0.340 CCC(O)C(=O)NCCCCCOC 240690a_100000747528_100011196387 [1,1,0,0,0,0|2,0,0]=4 7322 B13R0.340 CCCCC/C=C/CC(=O)C(C)CC 1458a_100020675968_100000758301 [1,1,0,0,0,0|0,0,2]=4 7323 B13R0.340 CCCCCC#CCC(=O)C(C)CC 1458a_100011192722_100009816472 [1,1,0,0,0,0|0,0,2]=4 7324 B13R0.340 CCCCCC#CCC(=O)C(O)CC 1458a_100011196387_100009816472 [1,1,0,0,0,0|0,0,2]=4 7325 B13R0.340 CCCCCCC=CC(=O)C(C)CC 1458a_200015324643_100000758301 [1,1,0,0,0,0|0,0,2]=4 7326 B13R0.340 CCCCCCCCC(=O)C(=O)NC 1458a_100011218921_100000210759 [1,1,0,0,0,0|1,0,1]=4 7327 B13R0.340 CCCCCCCCC(=O)C(C)C#N 1458a_100000210188_100000703298 [1,1,0,0,0,0|1,0,1]=4 7328 B13R0.340 CCCCCCCCC(=O)C(C)C#N 1458a_100000753662_100000210759 [1,1,0,0,0,0|1,0,1]=4 7329 B13R0.340 CCCCCCCCC(=O)C(C)CC 1458a_100000210188_100000758301 [1,1,0,0,0,0|0,0,0]=2 7330 B13R0.340 CCCCCCCCC(=O)C(C)CC 1458a_100011192722_100000210759 [1,1,0,0,0,0|0,0,0]=2 7331 B13R0.340 CCCCCCCCC(=O)C(C)OC 1458a_100000743197_100000210759 [1,1,0,0,0,0|1,0,0]=3 7332 B13R0.340 CCCCCCCCC(=O)C(C)SC 1458a_100000149566_100000210759 [1,1,0,0,0,0|1,0,0]=3 7333 B13R0.340 CCCCCCCCC(=O)C(O)CC 1458a_100011196387_100000210759 [1,1,0,0,0,0|0,0,0]=2 7334 B13R0.340 CCCCCCCCC(=O)C(O)CO 1458a_100011215603_100000210759 [1,1,0,0,0,0|1,0,0]=3 7335 B13R0.340 CCCCCCCCC(=O)N(C)CC 11a_100000225621_100000210188 [1,1,0,0,0,0|1,0,0]=3 7336 B13R0.340 CCCCCCCCC(=O)N(C)CC 1626a_100000225621_100000210188 [1,1,0,0,0,0|1,0,0]=3 7337 B13R0.340 CCCCCCCCC(=O)N(C)CC 240690a_100000225621_100000210188 [1,1,0,0,0,0|1,0,0]=3 7338 B13R0.340 CCCCCCCCC(=O)N(C)CC 527a_100000225621_100000210188 [1,1,0,0,0,0|1,0,0]=3 7339 B13R0.340 CCCCCCCCN(C)C(C)CC 2230a_100000207567_100000758301 [1,1,0,0,0,0|2,0,0]=4 7340 B13R0.340 CCCCCCCCN(C)C(C)CC 2230a_100000741768_100000210759 [1,1,0,0,0,0|2,0,0]=4 7341 B13R0.340 CCCCCCCCN(C)C(C)CC 269982a_100000207567_100000758301 [1,1,0,0,0,0|2,0,0]=4 7342 B13R0.340 CCCCCCCCN(C)C(C)CC 269982a_100000741768_100000210759 [1,1,0,0,0,0|2,0,0]=4 7343 B13R0.340 CCCCCCCNC(=O)C(C)CC 11a_100000229938_100011192722 [1,1,0,0,0,0|1,0,0]=3 7344 B13R0.340 CCCCCCCNC(=O)C(C)CC 1626a_100000229938_100011192722 [1,1,0,0,0,0|1,0,0]=3 7345 B13R0.340 CCCCCCCNC(=O)C(C)CC 240690a_100000229938_100011192722 [1,1,0,0,0,0|1,0,0]=3 7346 B13R0.340 CCCCCCCNC(=O)C(C)CC 527a_100000229938_100011192722 [1,1,0,0,0,0|1,0,0]=3 7347 B13R0.340 CCCCCCCNC(=O)C(C)OC 11a_100000229938_100000743197 [1,1,0,0,0,0|2,0,0]=4 7348 B13R0.340 CCCCCCCNC(=O)C(C)OC 1626a_100000229938_100000743197 [1,1,0,0,0,0|2,0,0]=4 7349 B13R0.340 CCCCCCCNC(=O)C(C)OC 240690a_100000229938_100000743197 [1,1,0,0,0,0|2,0,0]=4 7350 B13R0.340 CCCCCCCNC(=O)C(C)OC 527a_100000229938_100000743197 [1,1,0,0,0,0|2,0,0]=4 7351 B13R0.340 CCCCCCCNC(=O)C(C)SC 11a_100000229938_100000149566 [1,1,0,0,0,0|2,0,0]=4 7352 B13R0.340 CCCCCCCNC(=O)C(C)SC 1626a_100000229938_100000149566 [1,1,0,0,0,0|2,0,0]=4 7353 B13R0.340 CCCCCCCNC(=O)C(C)SC 240690a_100000229938_100000149566 [1,1,0,0,0,0|2,0,0]=4 7354 B13R0.340 CCCCCCCNC(=O)C(C)SC 527a_100000229938_100000149566 [1,1,0,0,0,0|2,0,0]=4 7355 B13R0.340 CCCCCCCNC(=O)C(O)CC 240690a_100000229938_100011196387 [1,1,0,0,0,0|1,0,0]=3 7356 B13R0.340 CCCCCCCNC(=O)C(O)CO 240690a_100000229938_100011215603 [1,1,0,0,0,0|2,0,0]=4 7357 B13R0.340 CCCCCCCNC(=O)N(C)CC 2708a_100000229938_100000225621 [1,1,0,0,0,0|2,0,0]=4 7358 B13R0.340 CCCCCCCNC(=O)N(C)CC 273464a_100000229938_100000225621 [1,1,0,0,0,0|2,0,0]=4 7359 B13R0.340 CCCCCCCOC(C)C(C)CC 7a_100011215189_100000210614 [1,1,0,0,0,0|1,0,1]=4 7360 B13R0.340 CCCCCCNCC(=O)N(C)CC 2230a_100000210581_100000738999 [1,1,0,0,0,0|2,0,0]=4 7361 B13R0.340 CCCCCCOCC(=O)N(C)CC 34a_100000210259_100000738999 [1,1,0,0,0,0|2,0,0]=4 7362 B13R0.340 CCCCCCOCC(=O)N(C)CC 7a_100000210259_100000738999 [1,1,0,0,0,0|2,0,0]=4 7363 B13R0.340 CCCCCCSCC(=O)N(C)CC 62a_100000210314_100000738999 [1,1,0,0,0,0|2,0,0]=4 7364 B13R0.340 CCCCCCSCC(=O)N(C)CC 62a_100000738999_100000210757 [1,1,0,0,0,0|2,0,0]=4 7365 B13R0.340 CCCCSCCNC(=O)C(C)CC 11a_100025743550_100011192722 [1,1,0,0,0,0|2,0,0]=4 7366 B13R0.340 CCCCSCCNC(=O)C(C)CC 1626a_100025743550_100011192722 [1,1,0,0,0,0|2,0,0]=4 7367 B13R0.340 CCCCSCCNC(=O)C(C)CC 240690a_100025743550_100011192722 [1,1,0,0,0,0|2,0,0]=4 7368 B13R0.340 CCCCSCCNC(=O)C(C)CC 527a_100025743550_100011192722 [1,1,0,0,0,0|2,0,0]=4 7369 B13R0.340 CCCCSCCNC(=O)C(O)CC 240690a_100025743550_100011196387 [1,1,0,0,0,0|2,0,0]=4 7370 B13R0.340 CCCOCCCNC(=O)C(C)CC 1626a_100011217757_100011192722 [1,1,0,0,0,0|2,0,0]=4 7371 B13R0.340 CCCOCCCNC(=O)C(C)CC 240690a_100011217757_100011192722 [1,1,0,0,0,0|2,0,0]=4 7372 B13R0.340 CCCOCCCNC(=O)C(C)CC 527a_100011217757_100011192722 [1,1,0,0,0,0|2,0,0]=4 7373 B13R0.340 CCCOCCCNC(=O)C(O)CC 240690a_100011217757_100011196387 [1,1,0,0,0,0|2,0,0]=4 7374 B13R0.340 CCN(C)C(=O)CCCCCCCO 240690a_100000225621_100011219782 [1,1,0,0,0,0|2,0,0]=4 7375 B13R0.340 CCOCCOCCC(=O)C(C)CC 1458a_100011192722_100011211534 [1,1,0,0,0,0|2,0,0]=4 7376 B13R0.340 CCOCCOCCC(=O)C(O)CC 1458a_100011196387_100011211534 [1,1,0,0,0,0|2,0,0]=4 7377 B13R0.340 COC(C)C(=O)CCCCCCCO 1458a_100000743197_100000760002 [1,1,0,0,0,0|2,0,0]=4 7378 B13R0.340 COCCCCCCC(=O)C(C)OC 1458a_100000743197_100011998445 [1,1,0,0,0,0|2,0,0]=4 7379 B13R0.340 COCCCCCCC(=O)C(C)SC 1458a_100000149566_100011998445 [1,1,0,0,0,0|2,0,0]=4 7380 B13R0.340 COCCCCCCC(=O)C(O)CO 1458a_100011215603_100011998445 [1,1,0,0,0,0|2,0,0]=4 7381 B13R0.340 CSC(C)C(=O)CCCCCCCO 1458a_100000149566_100000760002 [1,1,0,0,0,0|2,0,0]=4 7382 B13R0.340 O=C(CCCCCCCO)C(O)CO 1458a_100011215603_100000760002 [1,1,0,0,0,0|2,0,0]=4 7383 B13R0.367 CCCC(=O)CCCCC(=O)OCC 1458a_100000211992_100000750268 [1,1,0,0,0,0|1,0,1]=4 7384 B13R0.367 CCCC(=O)CCCCC(=O)OCC 1458a_100011217402_100000210303 [1,1,0,0,0,0|1,0,1]=4 7385 B13R0.367 CCCC(=O)COCCC(C)CCC 7a_100011217855_100000747444 [1,1,0,0,0,0|1,0,0]=3 7386 B13R0.367 CCCC(=O)CSCOC(=O)CCC 62a_100000747444_100000034017 [1,1,0,0,0,0|1,0,1]=4 7387 B13R0.367 CCCC(=O)OCNCC(O)COC 2230a_100000756049_100000034017 [1,1,0,0,0,0|2,0,0]=4 7388 B13R0.367 CCCC(=O)OCNCC(O)COC 34a_100000756049_100000034017 [1,1,0,0,0,0|2,0,0]=4 7389 B13R0.367 CCCC(=O)OCOCC(C)CCC 34a_100000688023_100000034017 [1,1,0,0,0,0|1,0,0]=3 7390 B13R0.367 CCCC(=O)OCOCC(C)CCN 34a_106354213184_100000034017 [1,1,0,0,0,0|2,0,0]=4 7391 B13R0.367 CCCC(=O)OCOCC(N)COC 34a_100000724102_100000034017 [1,1,0,0,0,0|2,0,0]=4 7392 B13R0.367 CCCC(=O)OCOC[C@@H](N)CCC 34a_100000732646_100000034017 [1,1,0,0,0,0|1,0,0]=3 7393 B13R0.367 CCCC(=O)OCSCC(C)CCC 62a_100011216630_100000034017 [1,1,0,0,0,0|1,0,0]=3 7394 B13R0.367 CCCC(=O)OCSCC(O)COC 62a_100011215053_100000034017 [1,1,0,0,0,0|2,0,0]=4 7395 B13R0.367 CCCC(C)CCCOC(C)CCC 34a_100011713154_100000766640 [1,1,0,0,0,0|1,0,1]=4 7396 B13R0.367 CCCC(C)CCCOC(C)CCC 7a_100011713154_100000766640 [1,1,0,0,0,0|1,0,1]=4 7397 B13R0.367 CCCC(C)CCOCC(=O)NCC 34a_100011217855_100000183381 [1,1,0,0,0,0|2,0,0]=4 7398 B13R0.367 CCCC(C)CCOCC(=O)NCC 7a_100011217855_100000183381 [1,1,0,0,0,0|2,0,0]=4 7399 B13R0.367 CCCC(C)CCOCC(=O)OCC 34a_100011217855_100000188475 [1,1,0,0,0,0|2,0,0]=4 7400 B13R0.367 CCCC(C)CCOCC(=O)OCC 7a_100011217855_100000188475 [1,1,0,0,0,0|2,0,0]=4 7401 B13R0.367 CCCC(C)CNCCC(=O)NCC 270004a_100025743525_100000243154 [1,1,0,0,0,0|2,0,0]=4 7402 B13R0.367 CCCC(C)CNCCC(=O)NCC 34a_100025743525_100011216630 [1,1,0,0,0,0|2,0,0]=4 7403 B13R0.367 CCCC(C)COCCC(=O)NCC 7a_100000688023_100000737597 [1,1,0,0,0,0|2,0,0]=4 7404 B13R0.367 CCCC(C)COCCC(=O)OCC 34a_100000688023_100000765890 [1,1,0,0,0,0|2,0,0]=4 7405 B13R0.367 CCCC(C)COCCC(=O)OCC 7a_100000688023_100011206558 [1,1,0,0,0,0|2,0,0]=4 7406 B13R0.367 CCCC(C)CSCCC(=O)NCC 62a_100000737597_100011216630 [1,1,0,0,0,0|2,0,0]=4 7407 B13R0.367 CCCC(C)CSCCC(=O)NCC 62a_100011216630_100000737597 [1,1,0,0,0,0|2,0,0]=4 7408 B13R0.367 CCCC(C)CSCCC(=O)OCC 62a_100000765890_100011216630 [1,1,0,0,0,0|2,0,0]=4 7409 B13R0.367 CCCC(C)CSCCC(=O)OCC 62a_100011216630_100000765890 [1,1,0,0,0,0|2,0,0]=4 7410 B13R0.367 CCCC(C)CSCOC(=O)OCC 62a_100011216630_100000075025 [1,1,0,0,0,0|2,0,0]=4 7411 B13R0.367 CCCC(C)NCCCC(=O)OCC 2230a_100000741246_100009991533 [1,1,0,0,0,0|2,0,0]=4 7412 B13R0.367 CCCC(C)OCCCC(=O)OCC 34a_100000764384_100009991533 [1,1,0,0,0,0|2,0,0]=4 7413 B13R0.367 CCCC(C)OCCCC(=O)OCC 7a_100000764384_100011215271 [1,1,0,0,0,0|2,0,0]=4 7414 B13R0.367 CCCC(C)OCCCC(=O)OCC 7a_100012001163_100000766640 [1,1,0,0,0,0|2,0,0]=4 7415 B13R0.367 CCCC(C)SCCCC(=O)OCC 62a_100000766640_100009991533 [1,1,0,0,0,0|2,0,0]=4 7416 B13R0.367 CCCC(C)SCCCC(=O)OCC 62a_100009991533_100000766640 [1,1,0,0,0,0|2,0,0]=4 7417 B13R0.367 CCCN(C)CCCCC(=O)OCC 2230a_100000747261_100000750268 [1,1,0,0,0,0|2,0,0]=4 7418 B13R0.367 CCCN(C)CCCCC(=O)OCC 269982a_100000747261_100000750268 [1,1,0,0,0,0|2,0,0]=4 7419 B13R0.367 CCC[C@H](N)CCOCC(=O)NCC 34a_100015193777_100000183381 [1,1,0,0,0,0|2,0,0]=4 7420 B13R0.367 CCC[C@H](N)CCOCC(=O)OCC 34a_100015193777_100000188475 [1,1,0,0,0,0|2,0,0]=4 7421 B13R0.367 CCC[C@H](N)COCCC(=O)OCC 34a_100000732646_100000765890 [1,1,0,0,0,0|2,0,0]=4 7422 B13R0.1338 CCCCCCCCS(=O)(=O)NCC 270084a_100015525214_100011218563 [1,1,0,0,0,0|2,0,0]=4 7423 B13R0.1338 CCCCCCCCS(=O)(=O)NCC 274078a_100015525214_100011218563 [1,1,0,0,0,0|2,0,0]=4 7424 B13R0.1338 CCCCCCCNS(=O)(=O)CCC 270084a_100000229938_100000211391 [1,1,0,0,0,0|2,0,0]=4 7425 B13R0.1338 CCCCCCCNS(=O)(=O)CCC 274078a_100000229938_100000211391 [1,1,0,0,0,0|2,0,0]=4 7426 B13R0.1338 CCCCCCCNS(=O)(=O)CCC 40a_100000229938_100000054278 [1,1,0,0,0,0|2,0,0]=4 7427 B13R0.1338 CCCCCCCOC(C)(C)CCC 7a_100000748436_100000210614 [1,1,0,0,0,0|1,0,1]=4 7428 B13R0.54 C=C(C)CCOCCCCCCCC 34a_100000210232_100000730704 [1,1,0,0,0,0|0,0,2]=4 7429 B13R0.54 C=C(C)CCOCCCCCCCC 34a_100000764851_100000210759 [1,1,0,0,0,0|0,0,2]=4 7430 B13R0.54 C=C(C)CCOCCCCCCCC 7a_100000210232_100000730704 [1,1,0,0,0,0|0,0,2]=4 7431 B13R0.54 CC(Br)CCOCCCCCCCO 34a_100009893172_100000760002 [1,1,0,0,0,0|1,0,1]=4 7432 B13R0.54 CC(C)CCOCCCCCCCBr 34a_100000760002_100000210312 [1,1,0,0,0,0|1,0,1]=4 7433 B13R0.54 CC(C)CCOCCCCCCCBr 7a_100000760002_100000210626 [1,1,0,0,0,0|1,0,1]=4 7434 B13R0.54 CC(C)CCOCCCCCCCN 34a_100011996573_100000210312 [1,1,0,0,0,0|1,0,1]=4 7435 B13R0.54 CC(C)CCOCCCCCCCO 34a_100000210254_100000760002 [1,1,0,0,0,0|1,0,1]=4 7436 B13R0.54 CC(C)CCOCCCCCCCO 7a_100000210254_100000760002 [1,1,0,0,0,0|1,0,1]=4 7437 B13R0.54 CC(O)CCOCCCCCCCBr 34a_100000760002_100012276601 [1,1,0,0,0,0|1,0,1]=4 7438 B13R0.54 CC(O)CCOCCCCCCCBr 7a_100000760002_100012276601 [1,1,0,0,0,0|1,0,1]=4 7439 B13R0.54 CC(O)CCOCCCCCCCN 34a_100011996573_100012276601 [1,1,0,0,0,0|1,0,1]=4 7440 B13R0.54 CCC/C=C/COCCCCC(C)C 34a_100016278788_100011216152 [1,1,0,0,0,0|2,0,0]=4 7441 B13R0.54 CCC/C=C/COCCCCC(C)C 7a_100016278788_100011216152 [1,1,0,0,0,0|2,0,0]=4 7442 B13R0.54 CCCCCCCCCNCC(C)C 2230a_100000210953_100011214924 [1,1,0,0,0,0|2,0,0]=4 7443 B13R0.54 CCCCCCCCCNCC(C)C 2230a_100000212291_100000210760 [1,1,0,0,0,0|2,0,0]=4 7444 B13R0.54 CCCCCCCCCNCC(C)C 270004a_100000212291_100000210432 [1,1,0,0,0,0|2,0,0]=4 7445 B13R0.54 CCCCCCCCCNCC(C)C 34a_100000210953_100011214924 [1,1,0,0,0,0|2,0,0]=4 7446 B13R0.54 CCCCCCCCCNCC(C)C 34a_100000212291_100000210624 [1,1,0,0,0,0|2,0,0]=4 7447 B13R0.54 CCCCCCCCCNCC(C)O 2230a_100000210904_100011214924 [1,1,0,0,0,0|2,0,0]=4 7448 B13R0.54 CCCCCCCCCNCC(C)O 2230a_100000212291_100011218427 [1,1,0,0,0,0|2,0,0]=4 7449 B13R0.54 CCCCCCCCCNCC(C)O 34a_100000210904_100011214924 [1,1,0,0,0,0|2,0,0]=4 7450 B13R0.54 CCCCCCCCCNCC(C)O 34a_100000212291_100011218427 [1,1,0,0,0,0|2,0,0]=4 7451 B13R0.54 CCCCCCCCCNC[C@@H](C)O 2230a_100000212291_100009817552 [1,1,0,0,0,0|2,0,0]=4 7452 B13R0.54 CCCCCCCCCNC[C@@H](C)O 34a_100000212291_100009817552 [1,1,0,0,0,0|2,0,0]=4 7453 B13R0.54 CCCCCCCCCOCC(C)Br 34a_100012180447_100011214924 [1,1,0,0,0,0|2,0,0]=4 7454 B13R0.54 CCCCCCCCCOCC(C)C 34a_100000210257_100011214924 [1,1,0,0,0,0|2,0,0]=4 7455 B13R0.54 CCCCCCCCCOCC(C)C 34a_100000210712_100000210624 [1,1,0,0,0,0|2,0,0]=4 7456 B13R0.54 CCCCCCCCCOCC(C)C 7a_100000210712_100000210760 [1,1,0,0,0,0|2,0,0]=4 7457 B13R0.54 CCCCCCCCCOCC(C)F 34a_100015925927_100011214924 [1,1,0,0,0,0|2,0,0]=4 7458 B13R0.54 CCCCCCCCCOCC(C)O 34a_100000210712_100011218427 [1,1,0,0,0,0|2,0,0]=4 7459 B13R0.54 CCCCCCCCCOCC(C)O 7a_100000210712_100011218427 [1,1,0,0,0,0|2,0,0]=4 7460 B13R0.54 CCCCCCCCCOC[C@@H](C)Cl 34a_100016084084_100011214924 [1,1,0,0,0,0|2,0,0]=4 7461 B13R0.54 CCCCCCCCCOC[C@@H](C)N 34a_100000737577_100011214924 [1,1,0,0,0,0|2,0,0]=4 7462 B13R0.54 CCCCCCCCCOC[C@@H](C)O 34a_100000210712_100009817552 [1,1,0,0,0,0|2,0,0]=4 7463 B13R0.54 CCCCCCCCCOC[C@@H](C)O 7a_100000210712_100009817552 [1,1,0,0,0,0|2,0,0]=4 7464 B13R0.54 CCCCCCCCCSCC(C)C 62a_100000210624_100000210670 [1,1,0,0,0,0|2,0,0]=4 7465 B13R0.54 CCCCCCCCCSCC(C)O 62a_100011218427_100000210670 [1,1,0,0,0,0|2,0,0]=4 7466 B13R0.54 CCCCCCCCCSC[C@@H](C)O 62a_100009817552_100000210670 [1,1,0,0,0,0|2,0,0]=4 7467 B13R0.54 CCCCCCCCNCCC(C)C 2230a_100000229939_100000210312 [1,1,0,0,0,0|1,0,1]=4 7468 B13R0.54 CCCCCCCCNCCC(C)C 269862a_100000229939_100000185833 [1,1,0,0,0,0|1,0,1]=4 7469 B13R0.54 CCCCCCCCNCCC(C)C 34a_100000229939_100000210312 [1,1,0,0,0,0|1,0,1]=4 7470 B13R0.54 CCCCCCCCNCCC(C)O 2230a_100000229939_100012276601 [1,1,0,0,0,0|1,0,1]=4 7471 B13R0.54 CCCCCCCCNCCC(C)O 2230a_200000755665_100000210759 [1,1,0,0,0,0|1,0,1]=4 7472 B13R0.54 CCCCCCCCNCCC(C)O 34a_100000229939_100012276601 [1,1,0,0,0,0|1,0,1]=4 7473 B13R0.54 CCCCCCCCOCCC(=O)C 34a_100000759926_100000210759 [1,1,0,0,0,0|0,0,2]=4 7474 B13R0.54 CCCCCCCCOCCC(=O)C 7a_100000210232_100000053229 [1,1,0,0,0,0|0,0,2]=4 7475 B13R0.54 CCCCCCCCOCCC(=O)C 7a_100000759926_100000210759 [1,1,0,0,0,0|0,0,2]=4 7476 B13R0.54 CCCCCCCCOCCC(C)Br 34a_100009893172_100000210759 [1,1,0,0,0,0|0,0,1]=3 7477 B13R0.54 CCCCCCCCOCCC(C)C 34a_100000210232_100000210312 [1,1,0,0,0,0|0,0,1]=3 7478 B13R0.54 CCCCCCCCOCCC(C)C 34a_100000210254_100000210759 [1,1,0,0,0,0|0,0,1]=3 7479 B13R0.54 CCCCCCCCOCCC(C)C 7a_100000210232_100000210626 [1,1,0,0,0,0|0,0,1]=3 7480 B13R0.54 CCCCCCCCOCCC(C)C 7a_100000210254_100000210759 [1,1,0,0,0,0|0,0,1]=3 7481 B13R0.54 CCCCCCCCOCCC(C)O 34a_100000210232_100012276601 [1,1,0,0,0,0|0,0,1]=3 7482 B13R0.54 CCCCCCCCOCCC(C)O 7a_100000210232_100012276601 [1,1,0,0,0,0|0,0,1]=3 7483 B13R0.54 CCCCCCCCOCCC(F)F 34a_100103093639_100000210759 [1,1,0,0,0,0|1,0,1]=4 7484 B13R0.54 CCCCCCCCOCCN(C)C 7a_100000210232_100000755713 [1,1,0,0,0,0|1,0,1]=4 7485 B13R0.54 CCCCCCCCOCC[C@@H](C)N 34a_100000706166_100000210759 [1,1,0,0,0,0|0,0,1]=3 7486 B13R0.54 CCCCCCCCOCOC(C)C 34a_100000210232_100000709892 [1,1,0,0,0,0|1,0,1]=4 7487 B13R0.54 CCCCCCCCSCCC(C)C 62a_100000210312_100000210317 [1,1,0,0,0,0|0,1,1]=4 7488 B13R0.54 CCCCCCCCSCCC(C)C 62a_100000210759_100000210312 [1,1,0,0,0,0|0,1,1]=4 7489 B13R0.54 CCCCCCCCSCCC(C)O 62a_100000210759_100012276601 [1,1,0,0,0,0|0,1,1]=4 7490 B13R0.54 CCCCCCCCSCCC(C)O 62a_100012276601_100000210317 [1,1,0,0,0,0|0,1,1]=4 7491 B13R0.54 CCCCCNCCOCCC(C)C 34a_100000224656_100000210312 [1,1,0,0,0,0|1,0,1]=4 7492 B13R0.54 CCCCCNCCOCCC(C)O 34a_100000224656_100012276601 [1,1,0,0,0,0|1,0,1]=4 7493 B13R0.54 CCCCCOCCOCCC(C)C 34a_100011215259_100000210312 [1,1,0,0,0,0|1,0,1]=4 7494 B13R0.54 CCCCCOCCOCCC(C)C 7a_100011215259_100000210626 [1,1,0,0,0,0|1,0,1]=4 7495 B13R0.54 CCCCCOCCOCCC(C)O 34a_100011215259_100012276601 [1,1,0,0,0,0|1,0,1]=4 7496 B13R0.54 CCCCCOCCOCCC(C)O 7a_100011215259_100012276601 [1,1,0,0,0,0|1,0,1]=4 7497 B13R0.54 CCCCNCCCCCCC(C)C 2230a_100000211014_100000210211 [1,1,0,0,0,0|1,0,1]=4 7498 B13R0.54 CCCCNCCCCCCC(C)C 34a_100000211014_100000210210 [1,1,0,0,0,0|1,0,1]=4 7499 B13R0.54 CCCCOCCCCCNC(C)C 34a_100011629493_100000210210 [1,1,0,0,0,0|1,0,1]=4 7500 B13R0.54 CCCCOCCCCOCC(C)C 34a_200000760531_100000210624 [1,1,0,0,0,0|1,0,1]=4 7501 B13R0.54 CCCCOCCCCOCC(C)C 7a_200000760531_100000210760 [1,1,0,0,0,0|1,0,1]=4 7502 B13R0.54 CCCCOCCCCOCC(C)O 34a_200000760531_100011218427 [1,1,0,0,0,0|1,0,1]=4 7503 B13R0.54 CCCCOCCCCOCC(C)O 7a_200000760531_100011218427 [1,1,0,0,0,0|1,0,1]=4 7504 B13R0.54 CCCCOCCCCOC[C@@H](C)O 34a_200000760531_100009817552 [1,1,0,0,0,0|1,0,1]=4 7505 B13R0.54 CCCCOCCCCOC[C@@H](C)O 7a_200000760531_100009817552 [1,1,0,0,0,0|1,0,1]=4 7506 B13R0.54 CCCCOCCCNCCC(C)C 2230a_200000211371_100000210312 [1,1,0,0,0,0|1,0,1]=4 7507 B13R0.54 CCCCOCCCNCCC(C)C 269862a_200000211371_100000185833 [1,1,0,0,0,0|1,0,1]=4 7508 B13R0.54 CCCCOCCCNCCC(C)C 34a_200000211371_100000210312 [1,1,0,0,0,0|1,0,1]=4 7509 B13R0.54 CCCCOCCCNCCC(C)O 2230a_200000211371_100012276601 [1,1,0,0,0,0|1,0,1]=4 7510 B13R0.54 CCCCOCCCNCCC(C)O 34a_200000211371_100012276601 [1,1,0,0,0,0|1,0,1]=4 7511 B13R0.54 CCCCOCCCOCCC(C)C 34a_200011215613_100000210312 [1,1,0,0,0,0|1,0,1]=4 7512 B13R0.54 CCCCOCCCOCCC(C)C 7a_200011215613_100000210626 [1,1,0,0,0,0|1,0,1]=4 7513 B13R0.54 CCCCOCCCOCCC(C)O 34a_200011215613_100012276601 [1,1,0,0,0,0|1,0,1]=4 7514 B13R0.54 CCCCOCCCOCCC(C)O 7a_200011215613_100012276601 [1,1,0,0,0,0|1,0,1]=4 7515 B13R0.54 CCCCOCCNCCCC(C)C 2230a_200000737386_100000743108 [1,1,0,0,0,0|1,0,1]=4 7516 B13R0.54 CCCCOCCNCCCC(C)C 34a_200000737386_100000743108 [1,1,0,0,0,0|1,0,1]=4 7517 B13R0.54 CCCCOCCOCCCC(C)C 34a_100000210238_100011214892 [1,1,0,0,0,0|1,0,1]=4 7518 B13R0.54 CCCCOCCOCCCC(C)C 34a_100000210774_100000743108 [1,1,0,0,0,0|1,0,1]=4 7519 B13R0.54 CCCCOCCOCCCC(C)C 7a_100000210238_100011214892 [1,1,0,0,0,0|1,0,1]=4 7520 B13R0.54 CCCCOCCOCCCC(C)C 7a_100000210774_100000743108 [1,1,0,0,0,0|1,0,1]=4 7521 B13R0.54 CCCCOCCOCCCC(C)O 34a_100000210238_200000718107 [1,1,0,0,0,0|1,0,1]=4 7522 B13R0.54 CCCCOCCOCCCC(C)O 7a_100000210238_200000718107 [1,1,0,0,0,0|1,0,1]=4 7523 B13R0.54 CCCCOCCSCCCC(C)C 62a_100000743108_100011214892 [1,1,0,0,0,0|1,0,1]=4 7524 B13R0.54 CCCCOCCSCCCC(C)C 62a_100011214892_100000743108 [1,1,0,0,0,0|1,0,1]=4 7525 B13R0.54 CCCCOCCSCCCC(C)O 62a_100000743108_200000718107 [1,1,0,0,0,0|1,0,1]=4 7526 B13R0.54 CCCCOCCSCCCC(C)O 62a_200000718107_100000743108 [1,1,0,0,0,0|1,0,1]=4 7527 B13R0.54 CCCCOCOCCCCC(C)C 34a_100011214890_100011995733 [1,1,0,0,0,0|1,0,1]=4 7528 B13R0.54 CCCCOCSCCCCC(C)C 62a_100011216152_100011995733 [1,1,0,0,0,0|1,0,1]=4 7529 B13R0.54 CCCCOCSCCCCC(C)C 62a_100011995733_100011216152 [1,1,0,0,0,0|1,0,1]=4 7530 B13R0.54 CCCOCCCCCCCC(C)C 34a_200000210741_100000210303 [1,1,0,0,0,0|2,0,0]=4 7531 B13R0.54 CCCOCCCCCCCC(C)C 7a_200000210741_100000210303 [1,1,0,0,0,0|2,0,0]=4 7532 B13R0.54 COCCCCCCOCCC(C)Br 34a_100009893172_100011998445 [1,1,0,0,0,0|1,0,1]=4 7533 B13R0.54 COCCCCCCOCCC(C)C 34a_100000210254_100011998445 [1,1,0,0,0,0|1,0,1]=4 7534 B13R0.54 COCCCCCCOCCC(C)C 34a_200012092642_100000210312 [1,1,0,0,0,0|1,0,1]=4 7535 B13R0.54 COCCCCCCOCCC(C)C 7a_100000210254_100011998445 [1,1,0,0,0,0|1,0,1]=4 7536 B13R0.54 COCCCCCCOCCC(C)C 7a_200012092642_100000210626 [1,1,0,0,0,0|1,0,1]=4 7537 B13R0.54 COCCCCCCOCCC(C)O 34a_200012092642_100012276601 [1,1,0,0,0,0|1,0,1]=4 7538 B13R0.54 COCCCCCCOCCC(C)O 7a_200012092642_100012276601 [1,1,0,0,0,0|1,0,1]=4 7539 B13R0.54 COCCCCCCOCC[C@@H](C)N 34a_100000706166_100011998445 [1,1,0,0,0,0|1,0,1]=4 7540 B13R0.54 C[C@@H](N)CCOCCCCCCCO 34a_100000706166_100000760002 [1,1,0,0,0,0|1,0,1]=4 7541 B13R0.147 CCC(C)CCCCCOCCCF 7a_200000035636_100011934791 [1,1,0,0,0,0|1,0,1]=4 7542 B13R0.147 CCC(C)CCCCCOCCCO 7a_200000035636_100011215043 [1,1,0,0,0,0|1,0,1]=4 7543 B13R0.147 CCC(C)CCCCCOCCOC 7a_200000035636_100000233755 [1,1,0,0,0,0|1,0,1]=4 7544 B13R0.147 CCC(C)CCCCCOCCSC 7a_200000035636_100000212216 [1,1,0,0,0,0|1,0,1]=4 7545 B13R0.147 CCC(C)COCCCCCCCBr 34a_100000760002_100000748023 [1,1,0,0,0,0|1,0,1]=4 7546 B13R0.147 CCC(C)COCCCCCCCBr 7a_100000760002_100000748023 [1,1,0,0,0,0|1,0,1]=4 7547 B13R0.147 CCC(C)COCCCCCCCN 34a_100011996573_100000748023 [1,1,0,0,0,0|1,0,1]=4 7548 B13R0.147 CCC(C)COCCCCCCOC 34a_200012092642_100000748023 [1,1,0,0,0,0|1,0,1]=4 7549 B13R0.147 CCC(C)COCCCCCCOC 7a_200012092642_100000748023 [1,1,0,0,0,0|1,0,1]=4 7550 B13R0.147 CCC(O)COCCCCCCCBr 34a_100000760002_100011218378 [1,1,0,0,0,0|1,0,1]=4 7551 B13R0.147 CCC(O)COCCCCCCCBr 7a_100000760002_100011218378 [1,1,0,0,0,0|1,0,1]=4 7552 B13R0.147 CCC(O)COCCCCCCCN 34a_100011996573_100011218378 [1,1,0,0,0,0|1,0,1]=4 7553 B13R0.147 CCC(O)COCCCCCCOC 34a_200012092642_100011218378 [1,1,0,0,0,0|1,0,1]=4 7554 B13R0.147 CCC(O)COCCCCCCOC 7a_200012092642_100011218378 [1,1,0,0,0,0|1,0,1]=4 7555 B13R0.147 CCCCCCCCC=CC(=O)CC 1458a_100015345288_100000210202 [1,1,0,0,0,0|1,0,1]=4 7556 B13R0.147 CCCCCCCCCNC(C)CC 2230a_100000209981_100011214924 [1,1,0,0,0,0|2,0,0]=4 7557 B13R0.147 CCCCCCCCCNC(C)CC 2230a_100000212291_100000758301 [1,1,0,0,0,0|2,0,0]=4 7558 B13R0.147 CCCCCCCCCNC(C)CC 34a_100000212291_100011215416 [1,1,0,0,0,0|2,0,0]=4 7559 B13R0.147 CCCCCCCCCOC(C)CC 34a_100000210712_100011215416 [1,1,0,0,0,0|2,0,0]=4 7560 B13R0.147 CCCCCCCCCOC(C)CC 7a_100000210228_100000210328 [1,1,0,0,0,0|2,0,0]=4 7561 B13R0.147 CCCCCCCCCOC(C)CC 7a_100000210712_100000758301 [1,1,0,0,0,0|2,0,0]=4 7562 B13R0.147 CCCCCCCCCSC(C)CC 62a_100000758301_100000210670 [1,1,0,0,0,0|2,0,0]=4 7563 B13R0.147 CCCCCCCCNCC(C)CC 2230a_100000229939_100000748023 [1,1,0,0,0,0|1,0,1]=4 7564 B13R0.147 CCCCCCCCNCC(C)CC 2230a_100020588543_100000210759 [1,1,0,0,0,0|1,0,1]=4 7565 B13R0.147 CCCCCCCCNCC(C)CC 270004a_100000229939_100000243153 [1,1,0,0,0,0|1,0,1]=4 7566 B13R0.147 CCCCCCCCNCC(C)CC 34a_100000229939_100000748023 [1,1,0,0,0,0|1,0,1]=4 7567 B13R0.147 CCCCCCCCNCC(O)CC 2230a_100000229939_100011218378 [1,1,0,0,0,0|1,0,1]=4 7568 B13R0.147 CCCCCCCCNCC(O)CC 2230a_100011218483_100000210759 [1,1,0,0,0,0|1,0,1]=4 7569 B13R0.147 CCCCCCCCNCC(O)CC 34a_100000229939_100011218378 [1,1,0,0,0,0|1,0,1]=4 7570 B13R0.147 CCCCCCCCNC[C@@H](C)CC 2230a_100000229939_100009816398 [1,1,0,0,0,0|1,0,1]=4 7571 B13R0.147 CCCCCCCCNC[C@@H](C)CC 34a_100000229939_100009816398 [1,1,0,0,0,0|1,0,1]=4 7572 B13R0.147 CCCCCCCCOCC(=O)CC 1458a_100000759886_100000210202 [1,1,0,0,0,0|0,0,2]=4 7573 B13R0.147 CCCCCCCCOCC(=O)CC 34a_100000725409_100000210759 [1,1,0,0,0,0|0,0,2]=4 7574 B13R0.147 CCCCCCCCOCC(=O)CC 7a_100000210232_100000747405 [1,1,0,0,0,0|0,0,2]=4 7575 B13R0.147 CCCCCCCCOCC(C)CC 34a_100000210232_100000748023 [1,1,0,0,0,0|0,0,1]=3 7576 B13R0.147 CCCCCCCCOCC(C)CC 7a_100000210232_100000748023 [1,1,0,0,0,0|0,0,1]=3 7577 B13R0.147 CCCCCCCCOCC(C)CN 34a_100000744482_100000210759 [1,1,0,0,0,0|1,0,1]=4 7578 B13R0.147 CCCCCCCCOCC(C)OC 34a_100000690652_100000210759 [1,1,0,0,0,0|1,0,1]=4 7579 B13R0.147 CCCCCCCCOCC(Cl)CCl 34a_100000033668_100000210759 [1,1,0,0,0,0|1,0,1]=4 7580 B13R0.147 CCCCCCCCOCC(O)CC 34a_100000210232_100011218378 [1,1,0,0,0,0|0,0,1]=3 7581 B13R0.147 CCCCCCCCOCC(O)CC 7a_100000210232_100011218378 [1,1,0,0,0,0|0,0,1]=3 7582 B13R0.147 CCCCCCCCOCC(O)CO 34a_100000210232_100011219619 [1,1,0,0,0,0|1,0,1]=4 7583 B13R0.147 CCCCCCCCOCC(O)CO 7a_100000210232_100011219619 [1,1,0,0,0,0|1,0,1]=4 7584 B13R0.147 CCCCCCCCOC[C@@H](C)CC 34a_100000210232_100009816398 [1,1,0,0,0,0|0,0,1]=3 7585 B13R0.147 CCCCCCCCOC[C@@H](C)CC 7a_100000210232_100009816398 [1,1,0,0,0,0|0,0,1]=3 7586 B13R0.147 CCCCCCCCOC[C@@H](C)CC 7a_100009816381_100000210759 [1,1,0,0,0,0|0,0,1]=3 7587 B13R0.147 CCCCCCCCOC[C@@H](C)CO 34a_100000210232_100000059175 [1,1,0,0,0,0|1,0,1]=4 7588 B13R0.147 CCCCCCCCOC[C@@H](C)CO 7a_100000210232_100000059175 [1,1,0,0,0,0|1,0,1]=4 7589 B13R0.147 CCCCCCCCOC[C@@H](O)CF 34a_100000210232_100015614560 [1,1,0,0,0,0|1,0,1]=4 7590 B13R0.147 CCCCCCCCOC[C@@H](O)CF 7a_100000210232_100015614560 [1,1,0,0,0,0|1,0,1]=4 7591 B13R0.147 CCCCCCCCOC[C@@H](O)CO 34a_100000210232_100009815848 [1,1,0,0,0,0|1,0,1]=4 7592 B13R0.147 CCCCCCCCOC[C@@H](O)CO 7a_100000210232_100009815848 [1,1,0,0,0,0|1,0,1]=4 7593 B13R0.147 CCCCCCCCOC[C@H](F)CN 34a_100015665980_100000210759 [1,1,0,0,0,0|1,0,1]=4 7594 B13R0.147 CCCCCCCCSCC(C)CC 62a_100000210759_100000748023 [1,1,0,0,0,0|0,1,1]=4 7595 B13R0.147 CCCCCCCCSCC(C)CC 62a_100000748023_100000210317 [1,1,0,0,0,0|0,1,1]=4 7596 B13R0.147 CCCCCCCCSCC(O)CC 62a_100000210759_100011218378 [1,1,0,0,0,0|0,1,1]=4 7597 B13R0.147 CCCCCCCCSCC(O)CC 62a_100011218378_100000210317 [1,1,0,0,0,0|0,1,1]=4 7598 B13R0.147 CCCCCCCCSC[C@@H](C)CC 62a_100000210759_100009816398 [1,1,0,0,0,0|0,1,1]=4 7599 B13R0.147 CCCCCCCCSC[C@@H](C)CC 62a_100009816398_100000210317 [1,1,0,0,0,0|0,1,1]=4 7600 B13R0.147 CCCCCNCCOCC(C)CC 34a_100000224656_100000748023 [1,1,0,0,0,0|1,0,1]=4 7601 B13R0.147 CCCCCNCCOCC(O)CC 34a_100000224656_100011218378 [1,1,0,0,0,0|1,0,1]=4 7602 B13R0.147 CCCCCNCCOC[C@@H](C)CC 34a_100000224656_100009816398 [1,1,0,0,0,0|1,0,1]=4 7603 B13R0.147 CCCCCOCCOCC(C)CC 34a_100011215259_100000748023 [1,1,0,0,0,0|1,0,1]=4 7604 B13R0.147 CCCCCOCCOCC(C)CC 7a_100011215259_100000748023 [1,1,0,0,0,0|1,0,1]=4 7605 B13R0.147 CCCCCOCCOCC(O)CC 34a_100011215259_100011218378 [1,1,0,0,0,0|1,0,1]=4 7606 B13R0.147 CCCCCOCCOCC(O)CC 7a_100011215259_100011218378 [1,1,0,0,0,0|1,0,1]=4 7607 B13R0.147 CCCCCOCCOC[C@@H](C)CC 34a_100011215259_100009816398 [1,1,0,0,0,0|1,0,1]=4 7608 B13R0.147 CCCCCOCCOC[C@@H](C)CC 7a_100011215259_100009816398 [1,1,0,0,0,0|1,0,1]=4 7609 B13R0.147 CCCCOCCCCCC(C)CC 7a_200000035636_100000210211 [1,1,0,0,0,0|0,0,1]=3 7610 B13R0.147 CCCCOCCCCOC(C)CC 34a_200000760531_100011215416 [1,1,0,0,0,0|1,0,1]=4 7611 B13R0.147 CCCCOCCCCOC(C)CC 7a_200000760531_100000758301 [1,1,0,0,0,0|1,0,1]=4 7612 B13R0.147 CCCCOCCCNCC(C)CC 2230a_200000211371_100000748023 [1,1,0,0,0,0|1,0,1]=4 7613 B13R0.147 CCCCOCCCNCC(C)CC 270004a_200000211371_100000243153 [1,1,0,0,0,0|1,0,1]=4 7614 B13R0.147 CCCCOCCCNCC(C)CC 34a_200000211371_100000748023 [1,1,0,0,0,0|1,0,1]=4 7615 B13R0.147 CCCCOCCCNCC(O)CC 2230a_200000211371_100011218378 [1,1,0,0,0,0|1,0,1]=4 7616 B13R0.147 CCCCOCCCNCC(O)CC 34a_200000211371_100011218378 [1,1,0,0,0,0|1,0,1]=4 7617 B13R0.147 CCCCOCCCNC[C@@H](C)CC 2230a_200000211371_100009816398 [1,1,0,0,0,0|1,0,1]=4 7618 B13R0.147 CCCCOCCCNC[C@@H](C)CC 34a_200000211371_100009816398 [1,1,0,0,0,0|1,0,1]=4 7619 B13R0.147 CCCCOCCCOCC(C)CC 34a_200011215613_100000748023 [1,1,0,0,0,0|1,0,1]=4 7620 B13R0.147 CCCCOCCCOCC(C)CC 7a_200011215613_100000748023 [1,1,0,0,0,0|1,0,1]=4 7621 B13R0.147 CCCCOCCCOCC(O)CC 34a_200011215613_100011218378 [1,1,0,0,0,0|1,0,1]=4 7622 B13R0.147 CCCCOCCCOCC(O)CC 7a_200011215613_100011218378 [1,1,0,0,0,0|1,0,1]=4 7623 B13R0.147 CCCCOCCCOC[C@@H](C)CC 34a_200011215613_100009816398 [1,1,0,0,0,0|1,0,1]=4 7624 B13R0.147 CCCCOCCCOC[C@@H](C)CC 7a_200011215613_100009816398 [1,1,0,0,0,0|1,0,1]=4 7625 B13R0.147 CCCCOCCNCCC(C)CC 2230a_100020591266_100000743108 [1,1,0,0,0,0|1,0,1]=4 7626 B13R0.147 CCCCOCCOCCC(C)CC 7a_100011215188_100000743108 [1,1,0,0,0,0|1,0,1]=4 7627 B13R0.147 CC[C@H](C)COCCCCCCCBr 34a_100000760002_100009816398 [1,1,0,0,0,0|1,0,1]=4 7628 B13R0.147 CC[C@H](C)COCCCCCCCBr 7a_100000760002_100009816398 [1,1,0,0,0,0|1,0,1]=4 7629 B13R0.147 CC[C@H](C)COCCCCCCCN 34a_100011996573_100009816398 [1,1,0,0,0,0|1,0,1]=4 7630 B13R0.147 CC[C@H](C)COCCCCCCCO 7a_100009816381_100000760002 [1,1,0,0,0,0|1,0,1]=4 7631 B13R0.147 CC[C@H](C)COCCCCCCOC 34a_200012092642_100009816398 [1,1,0,0,0,0|1,0,1]=4 7632 B13R0.147 CC[C@H](C)COCCCCCCOC 7a_100009816381_100011998445 [1,1,0,0,0,0|1,0,1]=4 7633 B13R0.147 CC[C@H](C)COCCCCCCOC 7a_200012092642_100009816398 [1,1,0,0,0,0|1,0,1]=4 7634 B13R0.165 CCC/C=C/CC(=O)CCCCCC 1458a_200016266809_100000210757 [1,1,0,0,0,0|1,0,1]=4 7635 B13R0.165 CCCCCCC(=O)COCCCC 1458a_100000757543_100000210757 [1,1,0,0,0,0|0,0,2]=4 7636 B13R0.165 CCCCCCC(=O)COCCCC 1458a_100102632555_100011995733 [1,1,0,0,0,0|0,0,2]=4 7637 B13R0.165 CCCCCCC(C)CCOCCC 34a_200011024964_100000210303 [1,1,0,0,0,0|2,0,0]=4 7638 B13R0.165 CCCCCCC(C)CCOCCC 7a_200011024964_100000210303 [1,1,0,0,0,0|2,0,0]=4 7639 B13R0.165 CCCCCCN(C)COCCCC 2230a_106256046315_100011995733 [1,1,0,0,0,0|1,0,1]=4 7640 B13R0.165 CCCCCCN(C)COCCCC 269982a_106256046315_100011995733 [1,1,0,0,0,0|1,0,1]=4 7641 B13R0.165 CCCCCOC(C)COCCCC 34a_100011217071_100000718602 [1,1,0,0,0,0|1,0,1]=4 7642 B13R0.165 CCCCCOC(C)COCCCC 7a_100011217071_100000210326 [1,1,0,0,0,0|1,0,1]=4 7643 B13R0.336 C#CCCCCCCCOCCCC 34a_100000054614_100000210210 [1,1,0,0,0,0|0,0,2]=4 7644 B13R0.336 C#CCCCCCCCOCCCC 34a_100000210227_100153394163 [1,1,0,0,0,0|0,0,2]=4 7645 B13R0.336 C#CCCCCCCCOCCCC 7a_100000054614_100000210211 [1,1,0,0,0,0|0,0,2]=4 7646 B13R0.336 C#CCCCCCCCOCCCC 7a_100000210227_100153394163 [1,1,0,0,0,0|0,0,2]=4 7647 B13R0.336 C#CCCCOCCCCCCCC 34a_100000210232_100000695029 [1,1,0,0,0,0|0,0,2]=4 7648 B13R0.336 C#CCCCOCCCCCCCC 34a_100000215630_100000210759 [1,1,0,0,0,0|0,0,2]=4 7649 B13R0.336 C#CCCCOCCCCCCCC 7a_100000210232_100011215417 [1,1,0,0,0,0|0,0,2]=4 7650 B13R0.336 C#CCCCOCCCCCCCC 7a_100000215630_100000210759 [1,1,0,0,0,0|0,0,2]=4 7651 B13R0.336 C/C=C/CCOCCCCCCCC 34a_100016278192_100000210759 [1,1,0,0,0,0|0,0,2]=4 7652 B13R0.336 C=CCCCCCCCOCCCC 34a_100000210227_100012355270 [1,1,0,0,0,0|0,0,2]=4 7653 B13R0.336 C=CCCCCCCCOCCCC 34a_100000730831_100000210210 [1,1,0,0,0,0|0,0,2]=4 7654 B13R0.336 C=CCCCCCCCOCCCC 7a_100000210227_100012355270 [1,1,0,0,0,0|0,0,2]=4 7655 B13R0.336 C=CCCCCCCCOCCCC 7a_100000730831_100000210211 [1,1,0,0,0,0|0,0,2]=4 7656 B13R0.336 C=CCCCOCCCCCCCC 34a_100000210232_100000757094 [1,1,0,0,0,0|0,0,2]=4 7657 B13R0.336 C=CCCCOCCCCCCCC 34a_100000758997_100000210759 [1,1,0,0,0,0|0,0,2]=4 7658 B13R0.336 C=CCCCOCCCCCCCC 7a_100000210232_100000757094 [1,1,0,0,0,0|0,0,2]=4 7659 B13R0.336 C=CCCCOCCCCCCCC 7a_100000758997_100000210759 [1,1,0,0,0,0|0,0,2]=4 7660 B13R0.336 CC#CCCOCCCCCCCC 34a_100000750427_100000210759 [1,1,0,0,0,0|0,0,2]=4 7661 B13R0.336 CC/C=C/CCCOCCCCCC 34a_100016287902_100000210314 [1,1,0,0,0,0|1,0,1]=4 7662 B13R0.336 CC/C=C/CCCOCCCCCC 7a_100016287902_100000210314 [1,1,0,0,0,0|1,0,1]=4 7663 B13R0.336 CC/C=C\CCCCCCCNCC 269862a_100015525214_200025770492 [1,1,0,0,0,0|1,0,1]=4 7664 B13R0.336 CC/C=C\CCCCCNCCCC 269862a_100000102301_100016288537 [1,1,0,0,0,0|1,0,1]=4 7665 B13R0.336 CC/C=C\CCCCCOCCCC 34a_100016268722_100000210210 [1,1,0,0,0,0|0,0,2]=4 7666 B13R0.336 CC/C=C\CCCCCOCCCC 7a_100016268722_100000210211 [1,1,0,0,0,0|0,0,2]=4 7667 B13R0.336 CC/C=C\CCCCOCCCCC 34a_100016287862_100000718602 [1,1,0,0,0,0|1,0,1]=4 7668 B13R0.336 CC/C=C\CCCCOCCCCC 7a_100016287862_100000210326 [1,1,0,0,0,0|1,0,1]=4 7669 B13R0.336 CC/C=C\CCNCCCCCCC 2230a_100000229938_100015370543 [1,1,0,0,0,0|1,0,1]=4 7670 B13R0.336 CC/C=C\CCOCCCCCCC 34a_100000210272_100015370543 [1,1,0,0,0,0|1,0,1]=4 7671 B13R0.336 CC/C=C\CCOCCCCCCC 34a_100016288707_100000210614 [1,1,0,0,0,0|1,0,1]=4 7672 B13R0.336 CC/C=C\CCOCCCCCCC 7a_100000210272_100015370543 [1,1,0,0,0,0|1,0,1]=4 7673 B13R0.336 CC/C=C\CCOCCCCCCC 7a_100016288707_100000210614 [1,1,0,0,0,0|1,0,1]=4 7674 B13R0.336 CC/C=C\CCSCCCCCCC 62a_100000210614_100015370543 [1,1,0,0,0,0|1,0,1]=4 7675 B13R0.336 CC/C=C\CCSCCCCCCC 62a_100015370543_100000210316 [1,1,0,0,0,0|1,0,1]=4 7676 B13R0.336 CC/C=C\CNCCCCCCCC 2230a_100000229939_100103147603 [1,1,0,0,0,0|1,0,1]=4 7677 B13R0.336 CC/C=C\CNCCCCCCCC 34a_100000229939_100103147603 [1,1,0,0,0,0|1,0,1]=4 7678 B13R0.336 CC/C=C\COCCCCCCCBr 34a_100000760002_100103147603 [1,1,0,0,0,0|1,0,1]=4 7679 B13R0.336 CC/C=C\COCCCCCCCBr 7a_100000760002_100103147603 [1,1,0,0,0,0|1,0,1]=4 7680 B13R0.336 CC/C=C\COCCCCCCCC 34a_100000210232_100103147603 [1,1,0,0,0,0|0,0,1]=3 7681 B13R0.336 CC/C=C\COCCCCCCCC 34a_100016268518_100000210759 [1,1,0,0,0,0|0,0,1]=3 7682 B13R0.336 CC/C=C\COCCCCCCCC 7a_100000210232_100103147603 [1,1,0,0,0,0|0,0,1]=3 7683 B13R0.336 CC/C=C\COCCCCCCCN 34a_100011996573_100103147603 [1,1,0,0,0,0|1,0,1]=4 7684 B13R0.336 CC/C=C\COCCCCCCCO 34a_100016268518_100000760002 [1,1,0,0,0,0|1,0,1]=4 7685 B13R0.336 CC/C=C\COCCCCCCOC 34a_100016268518_100011998445 [1,1,0,0,0,0|1,0,1]=4 7686 B13R0.336 CC/C=C\COCCCCCCOC 34a_200012092642_100103147603 [1,1,0,0,0,0|1,0,1]=4 7687 B13R0.336 CC/C=C\COCCCCCCOC 7a_200012092642_100103147603 [1,1,0,0,0,0|1,0,1]=4 7688 B13R0.336 CC/C=C\COCCCOCCCC 34a_200011215613_100103147603 [1,1,0,0,0,0|1,0,1]=4 7689 B13R0.336 CC/C=C\COCCCOCCCC 7a_200011215613_100103147603 [1,1,0,0,0,0|1,0,1]=4 7690 B13R0.336 CC/C=C\COCCNCCCCC 34a_100000224656_100103147603 [1,1,0,0,0,0|1,0,1]=4 7691 B13R0.336 CC/C=C\COCCOCCCCC 34a_100011215259_100103147603 [1,1,0,0,0,0|1,0,1]=4 7692 B13R0.336 CC/C=C\COCCOCCCCC 7a_100011215259_100103147603 [1,1,0,0,0,0|1,0,1]=4 7693 B13R0.336 CC/C=C\CSCCCCCCCC 62a_100000210759_100103147603 [1,1,0,0,0,0|0,1,1]=4 7694 B13R0.336 CC/C=C\CSCCCCCCCC 62a_100103147603_100000210317 [1,1,0,0,0,0|0,1,1]=4 7695 B13R0.336 CCC#CCOCCCCCCCC 34a_100000032950_100000210759 [1,1,0,0,0,0|0,0,2]=4 7696 B13R0.336 CCC#CCOCCCCCCCC 34a_100000210232_100009813939 [1,1,0,0,0,0|0,0,2]=4 7697 B13R0.336 CCC#CCOCCCCCCCC 7a_100000210232_100009813939 [1,1,0,0,0,0|0,0,2]=4 7698 B13R0.336 CCC/C=C/COCCCCCCC 34a_100016278788_100000210614 [1,1,0,0,0,0|1,0,0]=3 7699 B13R0.336 CCC/C=C/COCCCCCCC 7a_100016278788_100000210614 [1,1,0,0,0,0|1,0,0]=3 7700 B13R0.336 CCC/C=C/COCCCCCCF 34a_100016278788_100015922095 [1,1,0,0,0,0|2,0,0]=4 7701 B13R0.336 CCC/C=C/COCCCCCCF 7a_100016278788_100015922095 [1,1,0,0,0,0|2,0,0]=4 7702 B13R0.336 CCC/C=C/COCCCCCCO 34a_100016278788_100000766143 [1,1,0,0,0,0|2,0,0]=4 7703 B13R0.336 CCC/C=C/COCCCCCCO 7a_100016278788_100000766143 [1,1,0,0,0,0|2,0,0]=4 7704 B13R0.336 CCC/C=C/COCCOCCCC 34a_100016278788_100000743108 [1,1,0,0,0,0|2,0,0]=4 7705 B13R0.336 CCC/C=C/COCCOCCCC 7a_100016278788_100000743108 [1,1,0,0,0,0|2,0,0]=4 7706 B13R0.336 CCCC#CCCOCCCCCC 34a_100000042726_100000210314 [1,1,0,0,0,0|1,0,1]=4 7707 B13R0.336 CCCC#CCCOCCCCCC 7a_100000042726_100000210314 [1,1,0,0,0,0|1,0,1]=4 7708 B13R0.336 CCCC#CCOCCCCCCC 34a_100000034806_100000210614 [1,1,0,0,0,0|1,0,1]=4 7709 B13R0.336 CCCC#CCOCCCCCCC 7a_100000034806_100000210614 [1,1,0,0,0,0|1,0,1]=4 7710 B13R0.336 CCCC/C=C/CCCCOCCC 34a_200020645093_100000210303 [1,1,0,0,0,0|2,0,0]=4 7711 B13R0.336 CCCC/C=C/CCCCOCCC 7a_200020645093_100000210303 [1,1,0,0,0,0|2,0,0]=4 7712 B13R0.336 CCCC/C=C/COCCCCCC 34a_200016272032_100000210314 [1,1,0,0,0,0|2,0,0]=4 7713 B13R0.336 CCCC/C=C/COCCCCCC 7a_200016272032_100000210314 [1,1,0,0,0,0|2,0,0]=4 7714 B13R0.336 CCCC/C=C\CCOCCCCC 34a_200016286491_100000718602 [1,1,0,0,0,0|2,0,0]=4 7715 B13R0.336 CCCC/C=C\CCOCCCCC 7a_200016286491_100000210326 [1,1,0,0,0,0|2,0,0]=4 7716 B13R0.336 CCCCC#CCCCOCCCC 34a_100000210227_200000047210 [1,1,0,0,0,0|0,0,2]=4 7717 B13R0.336 CCCCC#CCCCOCCCC 7a_100000210227_200000047210 [1,1,0,0,0,0|0,0,2]=4 7718 B13R0.336 CCCCC/C=C\CCOCCCC 34a_100016277358_100000210210 [1,1,0,0,0,0|0,0,2]=4 7719 B13R0.336 CCCCC/C=C\CCOCCCC 7a_100016277358_100000210211 [1,1,0,0,0,0|0,0,2]=4 7720 B13R0.336 CCCCCC#CCCOCCCC 34a_200000042877_100000210210 [1,1,0,0,0,0|0,0,2]=4 7721 B13R0.336 CCCCCC#CCCOCCCC 7a_200000042877_100000210211 [1,1,0,0,0,0|0,0,2]=4 7722 B13R0.336 CCCCCC/C=C/COCCCC 34a_200016276170_100000210210 [1,1,0,0,0,0|0,0,2]=4 7723 B13R0.336 CCCCCC/C=C/COCCCC 7a_200016276170_100000210211 [1,1,0,0,0,0|0,0,2]=4 7724 B13R0.336 CCCCCCC#CCOCCCC 34a_200000037284_100000210210 [1,1,0,0,0,0|0,0,2]=4 7725 B13R0.336 CCCCCCC#CCOCCCC 7a_200000037284_100000210211 [1,1,0,0,0,0|0,0,2]=4 7726 B13R0.336 CCCCCCCC/C=C/COCC 34a_200020667288_100000210202 [1,1,0,0,0,0|1,0,0]=3 7727 B13R0.336 CCCCCCCC/C=C/COCC 7a_200020667288_100000210202 [1,1,0,0,0,0|1,0,0]=3 7728 B13R0.336 CCCCCCCC/C=C/COCF 34a_200020667288_100015361967 [1,1,0,0,0,0|2,0,0]=4 7729 B13R0.336 CCCCCCCC/C=C/COCF 7a_200020667288_100015361967 [1,1,0,0,0,0|2,0,0]=4 7730 B13R0.336 CCCCCCCCC/C=C/COC 34a_100015232335_200000210301 [1,1,0,0,0,0|1,0,1]=4 7731 B13R0.336 CCCCCCCCC/C=C/COC 7a_100015232335_200000210301 [1,1,0,0,0,0|1,0,1]=4 7732 B13R0.336 CCCCCCCCC/C=C/CO[13CH3] 34a_100015232335_200025704644 [1,1,0,0,0,0|1,0,1]=4 7733 B13R0.336 CCCCCCCCC/C=C/CO[13CH3] 7a_100015232335_200025704644 [1,1,0,0,0,0|1,0,1]=4 7734 B13R0.336 CCCCCCCCC=NNCCC 4a_100000740057_100011218696 [1,1,0,0,0,0|2,0,0]=4 7735 B13R0.336 CCCCCCCCCC=NNCC 4a_100000756455_100000210895 [1,1,0,0,0,0|2,0,0]=4 7736 B13R0.336 CCCCCCCCCCCCNC 2230a_100000210451_200000210301 [1,1,0,0,0,0|1,0,1]=4 7737 B13R0.336 CCCCCCCCCCCCNC 2230a_106832991635_100011215052 [1,1,0,0,0,0|1,0,1]=4 7738 B13R0.336 CCCCCCCCCCCCNC 270004a_106832991635_100011218549 [1,1,0,0,0,0|1,0,1]=4 7739 B13R0.336 CCCCCCCCCCCCNC 34a_100000210451_200000210301 [1,1,0,0,0,0|1,0,1]=4 7740 B13R0.336 CCCCCCCCCCCCNC 34a_100102657272_100000759014 [1,1,0,0,0,0|1,0,1]=4 7741 B13R0.336 CCCCCCCCCCCCNC 7a_106832991635_100000759014 [1,1,0,0,0,0|1,0,1]=4 7742 B13R0.336 CCCCCCCCCCCCN[13CH3] 2230a_100000210451_200025704644 [1,1,0,0,0,0|1,0,1]=4 7743 B13R0.336 CCCCCCCCCCCCN[13CH3] 34a_100000210451_200025704644 [1,1,0,0,0,0|1,0,1]=4 7744 B13R0.336 CCCCCCCCCCCCOC 34a_100000210810_200000210301 [1,1,0,0,0,0|1,0,1]=4 7745 B13R0.336 CCCCCCCCCCCCOC 34a_100138415774_100000759014 [1,1,0,0,0,0|1,0,1]=4 7746 B13R0.336 CCCCCCCCCCCCOC 7a_100000210810_200000210301 [1,1,0,0,0,0|1,0,1]=4 7747 B13R0.336 CCCCCCCCCCCCO[13CH3] 34a_100000210810_200025704644 [1,1,0,0,0,0|1,0,1]=4 7748 B13R0.336 CCCCCCCCCCCCO[13CH3] 7a_100000210810_200025704644 [1,1,0,0,0,0|1,0,1]=4 7749 B13R0.336 CCCCCCCCCCCCSC 62a_200000210301_100000759014 [1,1,0,0,0,0|1,0,1]=4 7750 B13R0.336 CCCCCCCCCCCCS[13CH3] 62a_200025704644_100000759014 [1,1,0,0,0,0|1,0,1]=4 7751 B13R0.336 CCCCCCCCCCCNCC 2230a_100015525214_100011215454 [1,1,0,0,0,0|1,0,1]=4 7752 B13R0.336 CCCCCCCCCCCNCC 2230a_200011215754_100000210202 [1,1,0,0,0,0|1,0,1]=4 7753 B13R0.336 CCCCCCCCCCCNCC 34a_200011215754_100000210202 [1,1,0,0,0,0|1,0,1]=4 7754 B13R0.336 CCCCCCCCCCCOCC 34a_100000210809_100000210202 [1,1,0,0,0,0|1,0,1]=4 7755 B13R0.336 CCCCCCCCCCCOCC 34a_100121572206_100011215454 [1,1,0,0,0,0|1,0,1]=4 7756 B13R0.336 CCCCCCCCCCCOCC 7a_100000210809_100000210202 [1,1,0,0,0,0|1,0,1]=4 7757 B13R0.336 CCCCCCCCCCCSCC 62a_100000210202_100011215454 [1,1,0,0,0,0|1,0,1]=4 7758 B13R0.336 CCCCCCCCCCNCCC 2230a_100000684558_100000210303 [1,1,0,0,0,0|1,0,1]=4 7759 B13R0.336 CCCCCCCCCCNCCC 34a_100000684558_100000210303 [1,1,0,0,0,0|1,0,1]=4 7760 B13R0.336 CCCCCCCCCCOCCC 34a_100000210258_100000210320 [1,1,0,0,0,0|1,0,1]=4 7761 B13R0.336 CCCCCCCCCCOCCC 34a_100000210711_100000210303 [1,1,0,0,0,0|1,0,1]=4 7762 B13R0.336 CCCCCCCCCCOCCC 7a_100000210711_100000210303 [1,1,0,0,0,0|1,0,1]=4 7763 B13R0.336 CCCCCCCCCCSCCC 62a_100000210303_100000210320 [1,1,0,0,0,0|1,0,1]=4 7764 B13R0.336 CCCCCCCCCNCCCC 2230a_100000102301_100011214924 [1,1,0,0,0,0|1,0,1]=4 7765 B13R0.336 CCCCCCCCCNCCCC 2230a_100000212291_100000210211 [1,1,0,0,0,0|1,0,1]=4 7766 B13R0.336 CCCCCCCCCNCCCC 34a_100000212291_100000210210 [1,1,0,0,0,0|1,0,1]=4 7767 B13R0.336 CCCCCCCCCNCCCC 7a_106832991798_100000210328 [1,1,0,0,0,0|1,0,1]=4 7768 B13R0.336 CCCCCCCCCNCCCF 2230a_100000212291_100011934791 [1,1,0,0,0,0|2,0,0]=4 7769 B13R0.336 CCCCCCCCCNCCCF 2230a_100015189416_100011214924 [1,1,0,0,0,0|2,0,0]=4 7770 B13R0.336 CCCCCCCCCNCCCF 34a_100000212291_100011934791 [1,1,0,0,0,0|2,0,0]=4 7771 B13R0.336 CCCCCCCCCNCCCF 34a_100015189416_100011214924 [1,1,0,0,0,0|2,0,0]=4 7772 B13R0.336 CCCCCCCCCNCCCO 2230a_100000212291_100000230001 [1,1,0,0,0,0|2,0,0]=4 7773 B13R0.336 CCCCCCCCCNCCCO 34a_100000212291_100000230001 [1,1,0,0,0,0|2,0,0]=4 7774 B13R0.336 CCCCCCCCCNCCOC 2230a_100000209980_100011214924 [1,1,0,0,0,0|2,0,0]=4 7775 B13R0.336 CCCCCCCCCNCCOC 2230a_100000212291_100011201679 [1,1,0,0,0,0|2,0,0]=4 7776 B13R0.336 CCCCCCCCCNCCOC 34a_100000212291_100011201679 [1,1,0,0,0,0|2,0,0]=4 7777 B13R0.336 CCCCCCCCCNCCSC 2230a_100000212291_100000751147 [1,1,0,0,0,0|2,0,0]=4 7778 B13R0.336 CCCCCCCCCNCCSC 2230a_100020590264_100011214924 [1,1,0,0,0,0|2,0,0]=4 7779 B13R0.336 CCCCCCCCCNCCSC 34a_100000212291_100000212216 [1,1,0,0,0,0|2,0,0]=4 7780 B13R0.336 CCCCCCCCCOCCCBr 34a_100011217188_100011214924 [1,1,0,0,0,0|1,0,1]=4 7781 B13R0.336 CCCCCCCCCOCCCC 34a_100000210227_100011214924 [1,1,0,0,0,0|0,0,1]=3 7782 B13R0.336 CCCCCCCCCOCCCC 34a_100000210712_100000210210 [1,1,0,0,0,0|0,0,1]=3 7783 B13R0.336 CCCCCCCCCOCCCC 7a_100000210227_100000210328 [1,1,0,0,0,0|0,0,1]=3 7784 B13R0.336 CCCCCCCCCOCCCC 7a_100000210712_100000210211 [1,1,0,0,0,0|0,0,1]=3 7785 B13R0.336 CCCCCCCCCOCCCCl 34a_100000230001_100011214924 [1,1,0,0,0,0|1,0,1]=4 7786 B13R0.336 CCCCCCCCCOCCCF 34a_100000210712_100011934791 [1,1,0,0,0,0|1,0,1]=4 7787 B13R0.336 CCCCCCCCCOCCCF 34a_100000759539_100011214924 [1,1,0,0,0,0|1,0,1]=4 7788 B13R0.336 CCCCCCCCCOCCCF 7a_100000210712_100011934791 [1,1,0,0,0,0|1,0,1]=4 7789 B13R0.336 CCCCCCCCCOCCCN 34a_100000182051_100011214924 [1,1,0,0,0,0|1,0,1]=4 7790 B13R0.336 CCCCCCCCCOCCCO 34a_100000210712_100000230001 [1,1,0,0,0,0|1,0,1]=4 7791 B13R0.336 CCCCCCCCCOCCCO 7a_100000210712_100011215043 [1,1,0,0,0,0|1,0,1]=4 7792 B13R0.336 CCCCCCCCCOCCOC 34a_100000210237_100011214924 [1,1,0,0,0,0|1,0,1]=4 7793 B13R0.336 CCCCCCCCCOCCOC 34a_100000210712_100011201679 [1,1,0,0,0,0|1,0,1]=4 7794 B13R0.336 CCCCCCCCCOCCOC 7a_100000210712_100000233755 [1,1,0,0,0,0|1,0,1]=4 7795 B13R0.336 CCCCCCCCCOCCSC 34a_100000210712_100000212216 [1,1,0,0,0,0|1,0,1]=4 7796 B13R0.336 CCCCCCCCCOCCSC 34a_100000230434_100011214924 [1,1,0,0,0,0|1,0,1]=4 7797 B13R0.336 CCCCCCCCCOCCSC 7a_100000210712_100000212216 [1,1,0,0,0,0|1,0,1]=4 7798 B13R0.336 CCCCCCCCCOCCSC 7a_100000230434_100000210328 [1,1,0,0,0,0|1,0,1]=4 7799 B13R0.336 CCCCCCCCCSCCCC 62a_100000210211_100000210670 [1,1,0,0,0,0|0,1,1]=4 7800 B13R0.336 CCCCCCCCCSCCCF 62a_100011934791_100000210670 [1,1,0,0,0,0|2,0,0]=4 7801 B13R0.336 CCCCCCCCCSCCCO 62a_100011215043_100000210670 [1,1,0,0,0,0|2,0,0]=4 7802 B13R0.336 CCCCCCCCCSCCOC 62a_100000233755_100000210670 [1,1,0,0,0,0|2,0,0]=4 7803 B13R0.336 CCCCCCCCCSCCSC 62a_100000212216_100000210670 [1,1,0,0,0,0|2,0,0]=4 7804 B13R0.336 CCCCCCCCCSCOCC 62a_100000739092_100000210670 [1,1,0,0,0,0|2,0,0]=4 7805 B13R0.336 CCCCCCCCNCCCCC 2230a_100000209983_100000210759 [1,1,0,0,0,0|1,0,1]=4 7806 B13R0.336 CCCCCCCCNCCCCC 2230a_100000229939_100000210326 [1,1,0,0,0,0|1,0,1]=4 7807 B13R0.336 CCCCCCCCNCCCCC 34a_100000229939_100000718602 [1,1,0,0,0,0|1,0,1]=4 7808 B13R0.336 CCCCCCCCNCCCCF 2230a_100000229939_100000729493 [1,1,0,0,0,0|1,0,1]=4 7809 B13R0.336 CCCCCCCCNCCCCF 34a_100000229939_100000729493 [1,1,0,0,0,0|1,0,1]=4 7810 B13R0.336 CCCCCCCCNCCCCO 2230a_100000229939_100000210776 [1,1,0,0,0,0|1,0,1]=4 7811 B13R0.336 CCCCCCCCNCCCCO 2230a_100000750430_100000210759 [1,1,0,0,0,0|1,0,1]=4 7812 B13R0.336 CCCCCCCCNCCCCO 34a_100000229939_100011216708 [1,1,0,0,0,0|1,0,1]=4 7813 B13R0.336 CCCCCCCCNCCCCO 34a_100000750430_100000210759 [1,1,0,0,0,0|1,0,1]=4 7814 B13R0.336 CCCCCCCCNCCCOC 2230a_100000229939_100000740836 [1,1,0,0,0,0|1,0,1]=4 7815 B13R0.336 CCCCCCCCNCCCOC 34a_100000229939_100000740836 [1,1,0,0,0,0|1,0,1]=4 7816 B13R0.336 CCCCCCCCNCCCOC 34a_100150723488_100000210759 [1,1,0,0,0,0|1,0,1]=4 7817 B13R0.336 CCCCCCCCNCCCSC 2230a_100000749238_100000210759 [1,1,0,0,0,0|1,0,1]=4 7818 B13R0.336 CCCCCCCCNCCOCC 2230a_100000229939_100011215890 [1,1,0,0,0,0|1,0,1]=4 7819 B13R0.336 CCCCCCCCNCCOCC 2230a_102516460346_100000210759 [1,1,0,0,0,0|1,0,1]=4 7820 B13R0.336 CCCCCCCCNCCOCC 34a_100000229939_100000210147 [1,1,0,0,0,0|1,0,1]=4 7821 B13R0.336 CCCCCCCCNCCOCC 34a_102516460346_100000210759 [1,1,0,0,0,0|1,0,1]=4 7822 B13R0.336 CCCCCCCCNCCSCC 2230a_100000106463_100000210759 [1,1,0,0,0,0|1,0,1]=4 7823 B13R0.336 CCCCCCCCNCCSCC 2230a_100000229939_100000757381 [1,1,0,0,0,0|1,0,1]=4 7824 B13R0.336 CCCCCCCCNCCSCC 34a_100000229939_100000757381 [1,1,0,0,0,0|1,0,1]=4 7825 B13R0.336 CCCCCCCCOCCCC#N 7a_100000210232_100000687738 [1,1,0,0,0,0|0,0,2]=4 7826 B13R0.336 CCCCCCCCOCCCC=O 7a_100000210232_200011292268 [1,1,0,0,0,0|0,0,2]=4 7827 B13R0.336 CCCCCCCCOCCCCBr 34a_100011216708_100000210759 [1,1,0,0,0,0|0,0,1]=3 7828 B13R0.336 CCCCCCCCOCCCCC 34a_100000210232_100000718602 [1,1,0,0,0,0|0,0,1]=3 7829 B13R0.336 CCCCCCCCOCCCCC 34a_100000210253_100000210759 [1,1,0,0,0,0|0,0,1]=3 7830 B13R0.336 CCCCCCCCOCCCCC 7a_100000210232_100000210326 [1,1,0,0,0,0|0,0,1]=3 7831 B13R0.336 CCCCCCCCOCCCCC 7a_100000210253_100000210759 [1,1,0,0,0,0|0,0,1]=3 7832 B13R0.336 CCCCCCCCOCCCCCl 34a_100000210776_100000210759 [1,1,0,0,0,0|0,0,1]=3 7833 B13R0.336 CCCCCCCCOCCCCCl 7a_100000210776_100000210759 [1,1,0,0,0,0|0,0,1]=3 7834 B13R0.336 CCCCCCCCOCCCCF 34a_100000210232_100000729493 [1,1,0,0,0,0|0,0,1]=3 7835 B13R0.336 CCCCCCCCOCCCCF 34a_100011995726_100000210759 [1,1,0,0,0,0|0,0,1]=3 7836 B13R0.336 CCCCCCCCOCCCCF 7a_100000210232_100000729493 [1,1,0,0,0,0|0,0,1]=3 7837 B13R0.336 CCCCCCCCOCCCCF 7a_100011995726_100000210759 [1,1,0,0,0,0|0,0,1]=3 7838 B13R0.336 CCCCCCCCOCCCCI 34a_200012148704_100000210759 [1,1,0,0,0,0|0,0,1]=3 7839 B13R0.336 CCCCCCCCOCCCCN 34a_100000750430_100000210759 [1,1,0,0,0,0|0,0,1]=3 7840 B13R0.336 CCCCCCCCOCCCCO 34a_100000210232_100011216708 [1,1,0,0,0,0|0,0,1]=3 7841 B13R0.336 CCCCCCCCOCCCCO 7a_100000210232_100000210776 [1,1,0,0,0,0|0,0,1]=3 7842 B13R0.336 CCCCCCCCOCCCNC 34a_100000213112_100000210759 [1,1,0,0,0,0|0,0,1]=3 7843 B13R0.336 CCCCCCCCOCCCOC 34a_100000210232_100000740836 [1,1,0,0,0,0|0,0,1]=3 7844 B13R0.336 CCCCCCCCOCCCOC 34a_100000740835_100000210759 [1,1,0,0,0,0|0,0,1]=3 7845 B13R0.336 CCCCCCCCOCCCOC 7a_100000210232_100000740836 [1,1,0,0,0,0|0,0,1]=3 7846 B13R0.336 CCCCCCCCOCCCSC 34a_100000690336_100000210759 [1,1,0,0,0,0|0,0,1]=3 7847 B13R0.336 CCCCCCCCOCCCSC 7a_100000690336_100000210759 [1,1,0,0,0,0|0,0,1]=3 7848 B13R0.336 CCCCCCCCOCCOCC 34a_100000210136_100000210759 [1,1,0,0,0,0|0,0,1]=3 7849 B13R0.336 CCCCCCCCOCCOCC 34a_100000210232_100000210147 [1,1,0,0,0,0|0,0,1]=3 7850 B13R0.336 CCCCCCCCOCCOCC 7a_100000210136_100000210759 [1,1,0,0,0,0|0,0,1]=3 7851 B13R0.336 CCCCCCCCOCCOCC 7a_100000210232_100011215890 [1,1,0,0,0,0|0,0,1]=3 7852 B13R0.336 CCCCCCCCOCCSCC 34a_100000210232_100000757381 [1,1,0,0,0,0|0,0,1]=3 7853 B13R0.336 CCCCCCCCOCCSCC 34a_100000212035_100000210759 [1,1,0,0,0,0|0,0,1]=3 7854 B13R0.336 CCCCCCCCOCCSCC 7a_100000210232_100000757381 [1,1,0,0,0,0|0,0,1]=3 7855 B13R0.336 CCCCCCCCOCCSCC 7a_100000212035_100000210759 [1,1,0,0,0,0|0,0,1]=3 7856 B13R0.336 CCCCCCCCSCCCCC 62a_100000210326_100000210317 [1,1,0,0,0,0|0,1,1]=4 7857 B13R0.336 CCCCCCCCSCCCCC 62a_100000210759_100000210326 [1,1,0,0,0,0|0,1,1]=4 7858 B13R0.336 CCCCCCCCSCCCCF 62a_100000210759_100000729493 [1,1,0,0,0,0|0,1,1]=4 7859 B13R0.336 CCCCCCCCSCCCCF 62a_100000729493_100000210317 [1,1,0,0,0,0|0,1,1]=4 7860 B13R0.336 CCCCCCCCSCCCCO 62a_100000210759_100000210776 [1,1,0,0,0,0|0,1,1]=4 7861 B13R0.336 CCCCCCCCSCCCCO 62a_100000210776_100000210317 [1,1,0,0,0,0|0,1,1]=4 7862 B13R0.336 CCCCCCCCSCCCOC 62a_100000210759_100000709357 [1,1,0,0,0,0|0,1,1]=4 7863 B13R0.336 CCCCCCCCSCCCOC 62a_100000709357_100000210317 [1,1,0,0,0,0|0,1,1]=4 7864 B13R0.336 CCCCCCCCSCCOCC 62a_100000210147_100000210317 [1,1,0,0,0,0|0,1,1]=4 7865 B13R0.336 CCCCCCCCSCCOCC 62a_100000210759_100011215890 [1,1,0,0,0,0|0,1,1]=4 7866 B13R0.336 CCCCCCCCSCCSCC 62a_100000210759_100000757381 [1,1,0,0,0,0|0,1,1]=4 7867 B13R0.336 CCCCCCCCSCCSCC 62a_100000757381_100000210317 [1,1,0,0,0,0|0,1,1]=4 7868 B13R0.336 CCCCCCCNCCCCCC 2230a_100000210581_100000210681 [1,1,0,0,0,0|1,0,1]=4 7869 B13R0.336 CCCCCCCNCCCCCC 2230a_100000229938_100000210314 [1,1,0,0,0,0|1,0,1]=4 7870 B13R0.336 CCCCCCCNCCOCCC 2230a_100000229938_100011215938 [1,1,0,0,0,0|2,0,0]=4 7871 B13R0.336 CCCCCCCNCCOCCC 2230a_100161115042_100000210681 [1,1,0,0,0,0|2,0,0]=4 7872 B13R0.336 CCCCCCCNCCOCCC 34a_100161115042_100000210614 [1,1,0,0,0,0|2,0,0]=4 7873 B13R0.336 CCCCCCCNCCSCCC 2230a_100020603323_100000210681 [1,1,0,0,0,0|2,0,0]=4 7874 B13R0.336 CCCCCCCNCOCCCC 2230a_100000229938_100011995733 [1,1,0,0,0,0|0,0,1]=3 7875 B13R0.336 CCCCCCCNCOCCOC 2230a_100000229938_100000231047 [1,1,0,0,0,0|1,0,1]=4 7876 B13R0.336 CCCCCCCOCCCCCC 34a_100000210259_100000210614 [1,1,0,0,0,0|1,0,1]=4 7877 B13R0.336 CCCCCCCOCCCCCC 34a_100000210272_100000210314 [1,1,0,0,0,0|1,0,1]=4 7878 B13R0.336 CCCCCCCOCCCCCC 7a_100000210259_100000210614 [1,1,0,0,0,0|1,0,1]=4 7879 B13R0.336 CCCCCCCOCCCCCC 7a_100000210272_100000210314 [1,1,0,0,0,0|1,0,1]=4 7880 B13R0.336 CCCCCCCOCCOCCC 34a_100000210272_100011215938 [1,1,0,0,0,0|2,0,0]=4 7881 B13R0.336 CCCCCCCOCCOCCC 34a_100000752267_100000210614 [1,1,0,0,0,0|2,0,0]=4 7882 B13R0.336 CCCCCCCOCCOCCC 7a_100000210272_100011215938 [1,1,0,0,0,0|2,0,0]=4 7883 B13R0.336 CCCCCCCOCCOCCC 7a_100000752267_100000210614 [1,1,0,0,0,0|2,0,0]=4 7884 B13R0.336 CCCCCCCOCCSCCC 34a_200000230433_100000210614 [1,1,0,0,0,0|2,0,0]=4 7885 B13R0.336 CCCCCCCOCCSCCC 7a_200000230433_100000210614 [1,1,0,0,0,0|2,0,0]=4 7886 B13R0.336 CCCCCCCOCOCCCC 34a_100000210272_100011995733 [1,1,0,0,0,0|0,0,1]=3 7887 B13R0.336 CCCCCCCSCCCCCC 62a_100000210314_100000210316 [1,1,0,0,0,0|1,0,1]=4 7888 B13R0.336 CCCCCCCSCCCCCC 62a_100000210614_100000210757 [1,1,0,0,0,0|1,0,1]=4 7889 B13R0.336 CCCCCCCSCCOCCC 62a_100000210614_100011215938 [1,1,0,0,0,0|2,0,0]=4 7890 B13R0.336 CCCCCCCSCCOCCC 62a_100011215938_100000210316 [1,1,0,0,0,0|2,0,0]=4 7891 B13R0.336 CCCCCCCSCOCCCC 62a_100000210614_100011995733 [1,1,0,0,0,0|0,0,1]=3 7892 B13R0.336 CCCCCCCSCOCCCC 62a_100011995733_100000210316 [1,1,0,0,0,0|0,0,1]=3 7893 B13R0.336 CCCCCCCSCOCCOC 62a_100000210614_100000231047 [1,1,0,0,0,0|1,0,1]=4 7894 B13R0.336 CCCCCCCSCOCCOC 62a_100000231047_100000210316 [1,1,0,0,0,0|1,0,1]=4 7895 B13R0.336 CCCCCCNCCCOCCC 2230a_100011217757_100000210314 [1,1,0,0,0,0|2,0,0]=4 7896 B13R0.336 CCCCCCNCCCOCCC 34a_100011217757_100000210314 [1,1,0,0,0,0|2,0,0]=4 7897 B13R0.336 CCCCCCNCCOCCCC 2230a_100000210581_100000743108 [1,1,0,0,0,0|0,0,1]=3 7898 B13R0.336 CCCCCCNCCOCCOC 2230a_100000210581_100000695917 [1,1,0,0,0,0|1,0,1]=4 7899 B13R0.336 CCCCCCNCCOCCOC 2230a_100000745349_100000210314 [1,1,0,0,0,0|1,0,1]=4 7900 B13R0.336 CCCCCCNCCOCCOC 34a_100000745349_100000210314 [1,1,0,0,0,0|1,0,1]=4 7901 B13R0.336 CCCCCCNCCSCCCC 2230a_100025743550_100000210314 [1,1,0,0,0,0|0,1,1]=4 7902 B13R0.336 CCCCCCOCCOCCCC 34a_100000210238_100000210314 [1,1,0,0,0,0|0,0,1]=3 7903 B13R0.336 CCCCCCOCCOCCCC 34a_100000210259_100000743108 [1,1,0,0,0,0|0,0,1]=3 7904 B13R0.336 CCCCCCOCCOCCCC 34a_100000691444_100000210210 [1,1,0,0,0,0|0,0,1]=3 7905 B13R0.336 CCCCCCOCCOCCCC 7a_100000210238_100000210314 [1,1,0,0,0,0|0,0,1]=3 7906 B13R0.336 CCCCCCOCCOCCCC 7a_100000210259_100000743108 [1,1,0,0,0,0|0,0,1]=3 7907 B13R0.336 CCCCCCOCCOCCCC 7a_100000691444_100000210211 [1,1,0,0,0,0|0,0,1]=3 7908 B13R0.336 CCCCCCOCCOCCCF 34a_100000691444_100011934791 [1,1,0,0,0,0|1,0,1]=4 7909 B13R0.336 CCCCCCOCCOCCCF 7a_100000691444_100011934791 [1,1,0,0,0,0|1,0,1]=4 7910 B13R0.336 CCCCCCOCCOCCCO 34a_100000691444_100000230001 [1,1,0,0,0,0|1,0,1]=4 7911 B13R0.336 CCCCCCOCCOCCCO 7a_100000691444_100011215043 [1,1,0,0,0,0|1,0,1]=4 7912 B13R0.336 CCCCCCOCCOCCNC 34a_100000228057_100000210314 [1,1,0,0,0,0|1,0,1]=4 7913 B13R0.336 CCCCCCOCCOCCOC 34a_100000032842_200000210301 [1,1,0,0,0,0|1,0,1]=4 7914 B13R0.336 CCCCCCOCCOCCOC 34a_100000210259_100000695917 [1,1,0,0,0,0|1,0,1]=4 7915 B13R0.336 CCCCCCOCCOCCOC 34a_100000691444_100011201679 [1,1,0,0,0,0|1,0,1]=4 7916 B13R0.336 CCCCCCOCCOCCOC 34a_100011215163_100000210314 [1,1,0,0,0,0|1,0,1]=4 7917 B13R0.336 CCCCCCOCCOCCOC 7a_100000032842_200000210301 [1,1,0,0,0,0|1,0,1]=4 7918 B13R0.336 CCCCCCOCCOCCOC 7a_100000210259_100000695917 [1,1,0,0,0,0|1,0,1]=4 7919 B13R0.336 CCCCCCOCCOCCOC 7a_100000691444_100000233755 [1,1,0,0,0,0|1,0,1]=4 7920 B13R0.336 CCCCCCOCCOCCOC 7a_100011215163_100000210314 [1,1,0,0,0,0|1,0,1]=4 7921 B13R0.336 CCCCCCOCCOCCO[13CH3] 34a_100000032842_200025704644 [1,1,0,0,0,0|1,0,1]=4 7922 B13R0.336 CCCCCCOCCOCCO[13CH3] 7a_100000032842_200025704644 [1,1,0,0,0,0|1,0,1]=4 7923 B13R0.336 CCCCCCOCCOCCSC 34a_100000691444_100000212216 [1,1,0,0,0,0|1,0,1]=4 7924 B13R0.336 CCCCCCOCCOCCSC 7a_100000691444_100000212216 [1,1,0,0,0,0|1,0,1]=4 7925 B13R0.336 CCCCCCOCCSCCCC 34a_200000230436_100000210314 [1,1,0,0,0,0|0,1,1]=4 7926 B13R0.336 CCCCCCOCCSCCCC 7a_200000230436_100000210314 [1,1,0,0,0,0|0,1,1]=4 7927 B13R0.336 CCCCCCSCCOCCCC 62a_100000210314_100000743108 [1,1,0,0,0,0|0,0,1]=3 7928 B13R0.336 CCCCCCSCCOCCCC 62a_100000743108_100000210757 [1,1,0,0,0,0|0,0,1]=3 7929 B13R0.336 CCCCCCSCCOCCOC 62a_100000210314_100000695917 [1,1,0,0,0,0|1,0,1]=4 7930 B13R0.336 CCCCCCSCCOCCOC 62a_100000695917_100000210757 [1,1,0,0,0,0|1,0,1]=4 7931 B13R0.336 CCCCCNCCCOCCCC 2230a_200000211371_100000210326 [1,1,0,0,0,0|0,0,1]=3 7932 B13R0.336 CCCCCNCCCOCCCC 34a_200000211371_100000718602 [1,1,0,0,0,0|0,0,1]=3 7933 B13R0.336 CCCCCNCCCOCCCO 2230a_100011310245_100000210326 [1,1,0,0,0,0|1,0,1]=4 7934 B13R0.336 CCCCCNCCCOCCCO 34a_100011310245_100000718602 [1,1,0,0,0,0|1,0,1]=4 7935 B13R0.336 CCCCCNCCCOCCOC 2230a_100000206027_100000210326 [1,1,0,0,0,0|1,0,1]=4 7936 B13R0.336 CCCCCNCCCOCCOC 2230a_100000209983_100011216529 [1,1,0,0,0,0|1,0,1]=4 7937 B13R0.336 CCCCCNCCCOCCOC 34a_100000206027_100000718602 [1,1,0,0,0,0|1,0,1]=4 7938 B13R0.336 CCCCCNCCOCCCCC 34a_100000224656_100000718602 [1,1,0,0,0,0|1,0,1]=4 7939 B13R0.336 CCCCCNCCOCCCCF 34a_100000224656_100000729493 [1,1,0,0,0,0|1,0,1]=4 7940 B13R0.336 CCCCCNCCOCCCCO 34a_100000224656_100011216708 [1,1,0,0,0,0|1,0,1]=4 7941 B13R0.336 CCCCCNCCOCCCOC 34a_100000224656_100000740836 [1,1,0,0,0,0|1,0,1]=4 7942 B13R0.336 CCCCCNCCOCCOCC 2230a_100000209983_100011211534 [1,1,0,0,0,0|1,0,1]=4 7943 B13R0.336 CCCCCNCCOCCOCC 2230a_100102712874_100000210326 [1,1,0,0,0,0|1,0,1]=4 7944 B13R0.336 CCCCCNCCOCCOCC 34a_100000224656_100000210147 [1,1,0,0,0,0|1,0,1]=4 7945 B13R0.336 CCCCCNCCOCCOCC 34a_100102712874_100000718602 [1,1,0,0,0,0|1,0,1]=4 7946 B13R0.336 CCCCCNCCOCCSCC 34a_100000224656_100000757381 [1,1,0,0,0,0|1,0,1]=4 7947 B13R0.336 CCCCCOCCCCCCCBr 34a_100000760002_100000718602 [1,1,0,0,0,0|1,0,1]=4 7948 B13R0.336 CCCCCOCCCCCCCBr 7a_100000760002_100000210326 [1,1,0,0,0,0|1,0,1]=4 7949 B13R0.336 CCCCCOCCCCCCCN 34a_100011996573_100000718602 [1,1,0,0,0,0|1,0,1]=4 7950 B13R0.336 CCCCCOCCCCCCCO 34a_100000210253_100000760002 [1,1,0,0,0,0|1,0,1]=4 7951 B13R0.336 CCCCCOCCCCCCCO 7a_100000210253_100000760002 [1,1,0,0,0,0|1,0,1]=4 7952 B13R0.336 CCCCCOCCCCCCOC 34a_100000210253_100011998445 [1,1,0,0,0,0|1,0,1]=4 7953 B13R0.336 CCCCCOCCCCCCOC 34a_200012092642_100000718602 [1,1,0,0,0,0|1,0,1]=4 7954 B13R0.336 CCCCCOCCCCCCOC 7a_100000210253_100011998445 [1,1,0,0,0,0|1,0,1]=4 7955 B13R0.336 CCCCCOCCCCCCOC 7a_200012092642_100000210326 [1,1,0,0,0,0|1,0,1]=4 7956 B13R0.336 CCCCCOCCCOCCCC 34a_200011215613_100000718602 [1,1,0,0,0,0|0,0,1]=3 7957 B13R0.336 CCCCCOCCCOCCCC 7a_200011215613_100000210326 [1,1,0,0,0,0|0,0,1]=3 7958 B13R0.336 CCCCCOCCCOCCCN 34a_100011310245_100000718602 [1,1,0,0,0,0|1,0,1]=4 7959 B13R0.336 CCCCCOCCCOCCOC 34a_100000210253_100011216529 [1,1,0,0,0,0|1,0,1]=4 7960 B13R0.336 CCCCCOCCCOCCOC 7a_100000210253_100011216529 [1,1,0,0,0,0|1,0,1]=4 7961 B13R0.336 CCCCCOCCOCCCCC 34a_100011215259_100000718602 [1,1,0,0,0,0|1,0,1]=4 7962 B13R0.336 CCCCCOCCOCCCCC 7a_100011215259_100000210326 [1,1,0,0,0,0|1,0,1]=4 7963 B13R0.336 CCCCCOCCOCCCCF 34a_100011215259_100000729493 [1,1,0,0,0,0|1,0,1]=4 7964 B13R0.336 CCCCCOCCOCCCCF 7a_100011215259_100000729493 [1,1,0,0,0,0|1,0,1]=4 7965 B13R0.336 CCCCCOCCOCCCCO 34a_100011215259_100011216708 [1,1,0,0,0,0|1,0,1]=4 7966 B13R0.336 CCCCCOCCOCCCCO 7a_100011215259_100000210776 [1,1,0,0,0,0|1,0,1]=4 7967 B13R0.336 CCCCCOCCOCCCOC 34a_100011215259_100000740836 [1,1,0,0,0,0|1,0,1]=4 7968 B13R0.336 CCCCCOCCOCCCOC 7a_100011215259_100000740836 [1,1,0,0,0,0|1,0,1]=4 7969 B13R0.336 CCCCCOCCOCCOCC 34a_100000210240_100000718602 [1,1,0,0,0,0|1,0,1]=4 7970 B13R0.336 CCCCCOCCOCCOCC 34a_100000210253_100011211534 [1,1,0,0,0,0|1,0,1]=4 7971 B13R0.336 CCCCCOCCOCCOCC 34a_100011215259_100000210147 [1,1,0,0,0,0|1,0,1]=4 7972 B13R0.336 CCCCCOCCOCCOCC 7a_100000210240_100000210326 [1,1,0,0,0,0|1,0,1]=4 7973 B13R0.336 CCCCCOCCOCCOCC 7a_100000210253_100011211534 [1,1,0,0,0,0|1,0,1]=4 7974 B13R0.336 CCCCCOCCOCCOCC 7a_100011215259_100011215890 [1,1,0,0,0,0|1,0,1]=4 7975 B13R0.336 CCCCCOCCOCCSCC 34a_100011215259_100000757381 [1,1,0,0,0,0|1,0,1]=4 7976 B13R0.336 CCCCCOCCOCCSCC 7a_100011215259_100000757381 [1,1,0,0,0,0|1,0,1]=4 7977 B13R0.336 CCCCCSCCCOCCOC 62a_100000210326_100011216529 [1,1,0,0,0,0|1,0,1]=4 7978 B13R0.336 CCCCCSCCCOCCOC 62a_100011216529_100000210326 [1,1,0,0,0,0|1,0,1]=4 7979 B13R0.336 CCCCCSCCOCCOCC 62a_100000210326_100011211534 [1,1,0,0,0,0|1,0,1]=4 7980 B13R0.336 CCCCCSCCOCCOCC 62a_100011211534_100000210326 [1,1,0,0,0,0|1,0,1]=4 7981 B13R0.336 CCCCNCCCCCCCCO 2230a_100000102301_100000033203 [1,1,0,0,0,0|1,0,1]=4 7982 B13R0.336 CCCCNCCCCCCCCO 2230a_102515433106_100000210211 [1,1,0,0,0,0|1,0,1]=4 7983 B13R0.336 CCCCNCCCCCCCCO 34a_102515433106_100000210210 [1,1,0,0,0,0|1,0,1]=4 7984 B13R0.336 CCCCNCCCCCCCCO 7a_106832991798_100000033203 [1,1,0,0,0,0|1,0,1]=4 7985 B13R0.336 CCCCNCCCCOCCCC 34a_200011216965_100000210210 [1,1,0,0,0,0|0,0,1]=3 7986 B13R0.336 CCCCNCCCCOCCCF 34a_200011216965_100011934791 [1,1,0,0,0,0|1,0,1]=4 7987 B13R0.336 CCCCNCCCCOCCCO 34a_200011216965_100000230001 [1,1,0,0,0,0|1,0,1]=4 7988 B13R0.336 CCCCNCCCCOCCOC 34a_200011216965_100011201679 [1,1,0,0,0,0|1,0,1]=4 7989 B13R0.336 CCCCNCCCCOCCSC 34a_200011216965_100000212216 [1,1,0,0,0,0|1,0,1]=4 7990 B13R0.336 CCCCOCCCCCCCCBr 34a_100009813846_100000210210 [1,1,0,0,0,0|0,0,1]=3 7991 B13R0.336 CCCCOCCCCCCCCBr 7a_100009813846_100000210211 [1,1,0,0,0,0|0,0,1]=3 7992 B13R0.336 CCCCOCCCCCCCCCl 34a_100000033203_100000210210 [1,1,0,0,0,0|0,0,1]=3 7993 B13R0.336 CCCCOCCCCCCCCCl 7a_100000033203_100000210211 [1,1,0,0,0,0|0,0,1]=3 7994 B13R0.336 CCCCOCCCCCCCCN 34a_102515433106_100000210210 [1,1,0,0,0,0|0,0,1]=3 7995 B13R0.336 CCCCOCCCCCCCCO 34a_100000210227_100000033203 [1,1,0,0,0,0|0,0,1]=3 7996 B13R0.336 CCCCOCCCCCCCCO 7a_100000210227_100000033203 [1,1,0,0,0,0|0,0,1]=3 7997 B13R0.336 CCCCOCCCCCNCCN 34a_103619048469_100000210210 [1,1,0,0,0,0|1,0,1]=4 7998 B13R0.336 CCCCOCCCCOCCCC 34a_200000760531_100000210210 [1,1,0,0,0,0|0,0,1]=3 7999 B13R0.336 CCCCOCCCCOCCCC 7a_200000760531_100000210211 [1,1,0,0,0,0|0,0,1]=3 8000 B13R0.336 CCCCOCCCCOCCCF 34a_200000760531_100011934791 [1,1,0,0,0,0|1,0,1]=4 8001 B13R0.336 CCCCOCCCCOCCCF 7a_200000760531_100011934791 [1,1,0,0,0,0|1,0,1]=4 8002 B13R0.336 CCCCOCCCCOCCCO 34a_200000760531_100000230001 [1,1,0,0,0,0|1,0,1]=4 8003 B13R0.336 CCCCOCCCCOCCCO 7a_200000760531_100011215043 [1,1,0,0,0,0|1,0,1]=4 8004 B13R0.336 CCCCOCCCCOCCOC 34a_200000760531_100011201679 [1,1,0,0,0,0|1,0,1]=4 8005 B13R0.336 CCCCOCCCCOCCOC 7a_200000760531_100000233755 [1,1,0,0,0,0|1,0,1]=4 8006 B13R0.336 CCCCOCCCCOCCSC 34a_200000760531_100000212216 [1,1,0,0,0,0|1,0,1]=4 8007 B13R0.336 CCCCOCCCCOCCSC 7a_200000760531_100000212216 [1,1,0,0,0,0|1,0,1]=4 8008 B13R0.336 CCCCOCCCNCCCCF 2230a_200000211371_100000729493 [1,1,0,0,0,0|1,0,1]=4 8009 B13R0.336 CCCCOCCCNCCCCF 34a_200000211371_100000729493 [1,1,0,0,0,0|1,0,1]=4 8010 B13R0.336 CCCCOCCCNCCCCO 2230a_200000211371_100000210776 [1,1,0,0,0,0|1,0,1]=4 8011 B13R0.336 CCCCOCCCNCCCCO 34a_200000211371_100011216708 [1,1,0,0,0,0|1,0,1]=4 8012 B13R0.336 CCCCOCCCNCCCOC 2230a_200000211371_100000740836 [1,1,0,0,0,0|1,0,1]=4 8013 B13R0.336 CCCCOCCCNCCCOC 34a_200000211371_100000740836 [1,1,0,0,0,0|1,0,1]=4 8014 B13R0.336 CCCCOCCCNCCOCC 2230a_200000211371_100011215890 [1,1,0,0,0,0|1,0,1]=4 8015 B13R0.336 CCCCOCCCNCCOCC 34a_200000211371_100000210147 [1,1,0,0,0,0|1,0,1]=4 8016 B13R0.336 CCCCOCCCNCCSCC 2230a_200000211371_100000757381 [1,1,0,0,0,0|1,0,1]=4 8017 B13R0.336 CCCCOCCCNCCSCC 34a_200000211371_100000757381 [1,1,0,0,0,0|1,0,1]=4 8018 B13R0.336 CCCCOCCCOCCCCF 34a_200011215613_100000729493 [1,1,0,0,0,0|1,0,1]=4 8019 B13R0.336 CCCCOCCCOCCCCF 7a_200011215613_100000729493 [1,1,0,0,0,0|1,0,1]=4 8020 B13R0.336 CCCCOCCCOCCCCO 34a_200011215613_100011216708 [1,1,0,0,0,0|1,0,1]=4 8021 B13R0.336 CCCCOCCCOCCCCO 7a_200011215613_100000210776 [1,1,0,0,0,0|1,0,1]=4 8022 B13R0.336 CCCCOCCCOCCCOC 34a_200011215475_100000210210 [1,1,0,0,0,0|1,0,1]=4 8023 B13R0.336 CCCCOCCCOCCCOC 34a_200011215613_100000740836 [1,1,0,0,0,0|1,0,1]=4 8024 B13R0.336 CCCCOCCCOCCCOC 7a_200011215475_100000210211 [1,1,0,0,0,0|1,0,1]=4 8025 B13R0.336 CCCCOCCCOCCCOC 7a_200011215613_100000740836 [1,1,0,0,0,0|1,0,1]=4 8026 B13R0.336 CCCCOCCCOCCOCC 34a_200011215613_100000210147 [1,1,0,0,0,0|1,0,1]=4 8027 B13R0.336 CCCCOCCCOCCOCC 7a_200011215613_100011215890 [1,1,0,0,0,0|1,0,1]=4 8028 B13R0.336 CCCCOCCCOCCSCC 34a_200011215613_100000757381 [1,1,0,0,0,0|1,0,1]=4 8029 B13R0.336 CCCCOCCCOCCSCC 7a_200011215613_100000757381 [1,1,0,0,0,0|1,0,1]=4 8030 B13R0.336 CCCCOCCNCCCCCO 2230a_100000762737_100000743108 [1,1,0,0,0,0|1,0,1]=4 8031 B13R0.336 CCCCOCCNCCCCCO 34a_100000762737_100000743108 [1,1,0,0,0,0|1,0,1]=4 8032 B13R0.336 CCCCOCCNCCCOCC 2230a_100000210961_100000743108 [1,1,0,0,0,0|1,0,1]=4 8033 B13R0.336 CCCCOCCNCCCOCC 34a_100000210961_100000743108 [1,1,0,0,0,0|1,0,1]=4 8034 B13R0.336 CCCCOCCNCCOCCC 2230a_100161115042_100000743108 [1,1,0,0,0,0|1,0,1]=4 8035 B13R0.336 CCCCOCCNCCOCCC 34a_100161115042_100000743108 [1,1,0,0,0,0|1,0,1]=4 8036 B13R0.336 CCCCOCCNCCSCCC 2230a_100020603323_100000743108 [1,1,0,0,0,0|1,0,1]=4 8037 B13R0.336 CCCCOCCOCCCCCBr 34a_100000746331_100000743108 [1,1,0,0,0,0|1,0,1]=4 8038 B13R0.336 CCCCOCCOCCCCCBr 7a_100000746331_100000743108 [1,1,0,0,0,0|1,0,1]=4 8039 B13R0.336 CCCCOCCOCCCCCCl 34a_100000746330_100000743108 [1,1,0,0,0,0|1,0,1]=4 8040 B13R0.336 CCCCOCCOCCCCCCl 7a_100000746330_100000743108 [1,1,0,0,0,0|1,0,1]=4 8041 B13R0.336 CCCCOCCOCCCCCF 34a_100000210238_100000729378 [1,1,0,0,0,0|1,0,1]=4 8042 B13R0.336 CCCCOCCOCCCCCF 7a_100000210238_100000729378 [1,1,0,0,0,0|1,0,1]=4 8043 B13R0.336 CCCCOCCOCCCCCI 34a_200012148887_100000743108 [1,1,0,0,0,0|1,0,1]=4 8044 B13R0.336 CCCCOCCOCCCCCI 7a_200012148887_100000743108 [1,1,0,0,0,0|1,0,1]=4 8045 B13R0.336 CCCCOCCOCCCCCN 34a_100000762737_100000743108 [1,1,0,0,0,0|1,0,1]=4 8046 B13R0.336 CCCCOCCOCCCCCO 34a_100000210238_100000746330 [1,1,0,0,0,0|1,0,1]=4 8047 B13R0.336 CCCCOCCOCCCCCO 7a_100000210238_100000746330 [1,1,0,0,0,0|1,0,1]=4 8048 B13R0.336 CCCCOCCOCCCCOC 34a_100000210238_100000755781 [1,1,0,0,0,0|1,0,1]=4 8049 B13R0.336 CCCCOCCOCCCCOC 34a_100000740925_100000743108 [1,1,0,0,0,0|1,0,1]=4 8050 B13R0.336 CCCCOCCOCCCCOC 7a_100000210238_100000730899 [1,1,0,0,0,0|1,0,1]=4 8051 B13R0.336 CCCCOCCOCCCCSC 34a_100011217163_100000743108 [1,1,0,0,0,0|1,0,1]=4 8052 B13R0.336 CCCCOCCOCCCCSC 7a_100011217163_100000743108 [1,1,0,0,0,0|1,0,1]=4 8053 B13R0.336 CCCCOCCOCCCOCC 34a_100000210238_100012232248 [1,1,0,0,0,0|1,0,1]=4 8054 B13R0.336 CCCCOCCOCCCOCC 34a_100000757476_100000743108 [1,1,0,0,0,0|1,0,1]=4 8055 B13R0.336 CCCCOCCOCCCOCC 7a_100000210238_100012232248 [1,1,0,0,0,0|1,0,1]=4 8056 B13R0.336 CCCCOCCOCCCOCC 7a_100000757476_100000743108 [1,1,0,0,0,0|1,0,1]=4 8057 B13R0.336 CCCCOCCOCCCSCC 34a_100011216438_100000743108 [1,1,0,0,0,0|1,0,1]=4 8058 B13R0.336 CCCCOCCOCCCSCC 7a_100011216438_100000743108 [1,1,0,0,0,0|1,0,1]=4 8059 B13R0.336 CCCCOCCOCCOCCC 34a_100000210238_100011215938 [1,1,0,0,0,0|1,0,1]=4 8060 B13R0.336 CCCCOCCOCCOCCC 34a_100000752267_100000743108 [1,1,0,0,0,0|1,0,1]=4 8061 B13R0.336 CCCCOCCOCCOCCC 34a_100011215186_100000210303 [1,1,0,0,0,0|1,0,1]=4 8062 B13R0.336 CCCCOCCOCCOCCC 7a_100000210238_100011215938 [1,1,0,0,0,0|1,0,1]=4 8063 B13R0.336 CCCCOCCOCCOCCC 7a_100000752267_100000743108 [1,1,0,0,0,0|1,0,1]=4 8064 B13R0.336 CCCCOCCOCCOCCC 7a_100011215186_100000210303 [1,1,0,0,0,0|1,0,1]=4 8065 B13R0.336 CCCCOCCOCCSCCC 34a_200000230433_100000743108 [1,1,0,0,0,0|1,0,1]=4 8066 B13R0.336 CCCCOCCOCCSCCC 7a_200000230433_100000743108 [1,1,0,0,0,0|1,0,1]=4 8067 B13R0.336 CCCCOCCOCOCCCC 34a_100000210238_100011995733 [1,1,0,0,0,0|1,0,1]=4 8068 B13R0.336 CCCCOCCSCCCCCF 62a_100000729378_100000743108 [1,1,0,0,0,0|1,0,1]=4 8069 B13R0.336 CCCCOCCSCCCCCF 62a_100000743108_100000729378 [1,1,0,0,0,0|1,0,1]=4 8070 B13R0.336 CCCCOCCSCCCCCO 62a_100000743108_100000746330 [1,1,0,0,0,0|1,0,1]=4 8071 B13R0.336 CCCCOCCSCCCCCO 62a_100000746330_100000743108 [1,1,0,0,0,0|1,0,1]=4 8072 B13R0.336 CCCCOCCSCCCCOC 62a_100000730899_100000743108 [1,1,0,0,0,0|1,0,1]=4 8073 B13R0.336 CCCCOCCSCCCCOC 62a_100000743108_100000730899 [1,1,0,0,0,0|1,0,1]=4 8074 B13R0.336 CCCCOCCSCCCOCC 62a_100000743108_100012232248 [1,1,0,0,0,0|1,0,1]=4 8075 B13R0.336 CCCCOCCSCCCOCC 62a_100012232248_100000743108 [1,1,0,0,0,0|1,0,1]=4 8076 B13R0.336 CCCCOCCSCCOCCC 62a_100000743108_100011215938 [1,1,0,0,0,0|1,0,1]=4 8077 B13R0.336 CCCCOCCSCCOCCC 62a_100011215938_100000743108 [1,1,0,0,0,0|1,0,1]=4 8078 B13R0.336 CCCCOCCSCOCCCC 62a_100000743108_100011995733 [1,1,0,0,0,0|1,0,1]=4 8079 B13R0.336 CCCCOCCSCOCCCC 62a_100011995733_100000743108 [1,1,0,0,0,0|1,0,1]=4 8080 B13R0.336 CCCCOCNCCCCCCO 2230a_100000686447_100011995733 [1,1,0,0,0,0|1,0,1]=4 8081 B13R0.336 CCCCOCNCCCCCCO 34a_100000686447_100011995733 [1,1,0,0,0,0|1,0,1]=4 8082 B13R0.336 CCCCOCNCCCCCOC 2230a_100000747528_100011995733 [1,1,0,0,0,0|1,0,1]=4 8083 B13R0.336 CCCCOCNCCCCCOC 34a_100000747528_100011995733 [1,1,0,0,0,0|1,0,1]=4 8084 B13R0.336 CCCCOCNCCCOCCC 2230a_100011217757_100011995733 [1,1,0,0,0,0|1,0,1]=4 8085 B13R0.336 CCCCOCNCCCOCCC 34a_100011217757_100011995733 [1,1,0,0,0,0|1,0,1]=4 8086 B13R0.336 CCCCOCNCCSCCCC 2230a_100025743550_100011995733 [1,1,0,0,0,0|1,0,1]=4 8087 B13R0.336 CCCCOCOCCCCCCBr 34a_100011215345_100011995733 [1,1,0,0,0,0|1,0,1]=4 8088 B13R0.336 CCCCOCOCCCCCCCl 34a_100000766143_100011995733 [1,1,0,0,0,0|1,0,1]=4 8089 B13R0.336 CCCCOCOCCCCCCF 34a_100000732779_100011995733 [1,1,0,0,0,0|1,0,1]=4 8090 B13R0.336 CCCCOCOCCCCCCN 34a_100000686447_100011995733 [1,1,0,0,0,0|1,0,1]=4 8091 B13R0.336 CCCCOCOCCCCCNC 34a_100000722520_100011995733 [1,1,0,0,0,0|1,0,1]=4 8092 B13R0.336 CCCCOCOCCSCCCC 34a_200000230436_100011995733 [1,1,0,0,0,0|1,0,1]=4 8093 B13R0.336 CCCCOCSCCCCCCF 62a_100011995733_100015922095 [1,1,0,0,0,0|1,0,1]=4 8094 B13R0.336 CCCCOCSCCCCCCF 62a_100015922095_100011995733 [1,1,0,0,0,0|1,0,1]=4 8095 B13R0.336 CCCCOCSCCCCCCO 62a_100000766143_100011995733 [1,1,0,0,0,0|1,0,1]=4 8096 B13R0.336 CCCCOCSCCCCCCO 62a_100011995733_100000766143 [1,1,0,0,0,0|1,0,1]=4 8097 B13R0.336 CCCCSCCCCCCCCO 62a_100000033203_100000210210 [1,1,0,0,0,0|0,1,1]=4 8098 B13R0.336 CCCCSCCCCCCCCO 62a_100000210211_100000033203 [1,1,0,0,0,0|0,1,1]=4 8099 B13R0.336 CCCNCCCCCCCCCO 2230a_100000078944_100000210303 [1,1,0,0,0,0|2,0,0]=4 8100 B13R0.336 CCCNCCCCCCCCCO 34a_100000078944_100000210303 [1,1,0,0,0,0|2,0,0]=4 8101 B13R0.336 CCCOCCCCCCCCCBr 34a_100009813782_100000210303 [1,1,0,0,0,0|2,0,0]=4 8102 B13R0.336 CCCOCCCCCCCCCBr 7a_100009813782_100000210303 [1,1,0,0,0,0|2,0,0]=4 8103 B13R0.336 CCCOCCCCCCCCCCl 34a_100009868337_100000210303 [1,1,0,0,0,0|2,0,0]=4 8104 B13R0.336 CCCOCCCCCCCCCCl 7a_100009868337_100000210303 [1,1,0,0,0,0|2,0,0]=4 8105 B13R0.336 CCCOCCCCCCCCCN 34a_100000078944_100000210303 [1,1,0,0,0,0|2,0,0]=4 8106 B13R0.336 CCCOCCCCCCCCCO 34a_100000210258_100009813782 [1,1,0,0,0,0|2,0,0]=4 8107 B13R0.336 CCCSCCCCCCCCCO 62a_100000210303_100009813782 [1,1,0,0,0,0|2,0,0]=4 8108 B13R0.336 CCCSCCCCCCCCCO 62a_100009813782_100000210303 [1,1,0,0,0,0|2,0,0]=4 8109 B13R0.336 CCOCCOCCCCCCCBr 34a_100000760002_100000210147 [1,1,0,0,0,0|1,0,1]=4 8110 B13R0.336 CCOCCOCCCCCCCBr 7a_100000760002_100011215890 [1,1,0,0,0,0|1,0,1]=4 8111 B13R0.336 CCOCCOCCCCCCCN 34a_100011996573_100000210147 [1,1,0,0,0,0|1,0,1]=4 8112 B13R0.336 CCOCCOCCCCCCCO 34a_100000210136_100000760002 [1,1,0,0,0,0|1,0,1]=4 8113 B13R0.336 CCOCCOCCCCCCCO 7a_100000210136_100000760002 [1,1,0,0,0,0|1,0,1]=4 8114 B13R0.336 CCOCCOCCCCCCOC 34a_100000210136_100011998445 [1,1,0,0,0,0|1,0,1]=4 8115 B13R0.336 CCOCCOCCCCCCOC 34a_200012092642_100000210147 [1,1,0,0,0,0|1,0,1]=4 8116 B13R0.336 CCOCCOCCCCCCOC 7a_100000210136_100011998445 [1,1,0,0,0,0|1,0,1]=4 8117 B13R0.336 CCOCCOCCCCCCOC 7a_200012092642_100011215890 [1,1,0,0,0,0|1,0,1]=4 8118 B13R0.336 CCSCCOCCCCCCCBr 34a_100000760002_100000757381 [1,1,0,0,0,0|1,0,1]=4 8119 B13R0.336 CCSCCOCCCCCCCBr 7a_100000760002_100000757381 [1,1,0,0,0,0|1,0,1]=4 8120 B13R0.336 CCSCCOCCCCCCCN 34a_100011996573_100000757381 [1,1,0,0,0,0|1,0,1]=4 8121 B13R0.336 CCSCCOCCCCCCCO 34a_100000212035_100000760002 [1,1,0,0,0,0|1,0,1]=4 8122 B13R0.336 CCSCCOCCCCCCCO 7a_100000212035_100000760002 [1,1,0,0,0,0|1,0,1]=4 8123 B13R0.336 CCSCCOCCCCCCOC 34a_100000212035_100011998445 [1,1,0,0,0,0|1,0,1]=4 8124 B13R0.336 CCSCCOCCCCCCOC 34a_200012092642_100000757381 [1,1,0,0,0,0|1,0,1]=4 8125 B13R0.336 CCSCCOCCCCCCOC 7a_100000212035_100011998445 [1,1,0,0,0,0|1,0,1]=4 8126 B13R0.336 CCSCCOCCCCCCOC 7a_200012092642_100000757381 [1,1,0,0,0,0|1,0,1]=4 8127 B13R0.336 CNCCCOCCCCCCCO 34a_100000213112_100000760002 [1,1,0,0,0,0|1,0,1]=4 8128 B13R0.336 CNCCCOCCCCCCOC 34a_100000213112_100011998445 [1,1,0,0,0,0|1,0,1]=4 8129 B13R0.336 COCCCCCCOCCCCBr 34a_100011216708_100011998445 [1,1,0,0,0,0|1,0,1]=4 8130 B13R0.336 COCCCCCCOCCCCCl 34a_100000210776_100011998445 [1,1,0,0,0,0|1,0,1]=4 8131 B13R0.336 COCCCCCCOCCCCCl 7a_100000210776_100011998445 [1,1,0,0,0,0|1,0,1]=4 8132 B13R0.336 COCCCCCCOCCCCF 34a_100011995726_100011998445 [1,1,0,0,0,0|1,0,1]=4 8133 B13R0.336 COCCCCCCOCCCCF 34a_200012092642_100000729493 [1,1,0,0,0,0|1,0,1]=4 8134 B13R0.336 COCCCCCCOCCCCF 7a_100011995726_100011998445 [1,1,0,0,0,0|1,0,1]=4 8135 B13R0.336 COCCCCCCOCCCCF 7a_200012092642_100000729493 [1,1,0,0,0,0|1,0,1]=4 8136 B13R0.336 COCCCCCCOCCCCI 34a_200012148704_100011998445 [1,1,0,0,0,0|1,0,1]=4 8137 B13R0.336 COCCCCCCOCCCCN 34a_100000750430_100011998445 [1,1,0,0,0,0|1,0,1]=4 8138 B13R0.336 COCCCCCCOCCCCO 34a_200012092642_100011216708 [1,1,0,0,0,0|1,0,1]=4 8139 B13R0.336 COCCCCCCOCCCCO 7a_200012092642_100000210776 [1,1,0,0,0,0|1,0,1]=4 8140 B13R0.336 COCCCCCCOCCCOC 34a_100000740835_100011998445 [1,1,0,0,0,0|1,0,1]=4 8141 B13R0.336 COCCCCCCOCCCOC 34a_200012092642_100000740836 [1,1,0,0,0,0|1,0,1]=4 8142 B13R0.336 COCCCCCCOCCCOC 7a_200012092642_100000740836 [1,1,0,0,0,0|1,0,1]=4 8143 B13R0.336 COCCCCCCOCCCSC 34a_100000690336_100011998445 [1,1,0,0,0,0|1,0,1]=4 8144 B13R0.336 COCCCCCCOCCCSC 7a_100000690336_100011998445 [1,1,0,0,0,0|1,0,1]=4 8145 B13R0.336 COCCCOCCCCCCCBr 34a_100000760002_100000740836 [1,1,0,0,0,0|1,0,1]=4 8146 B13R0.336 COCCCOCCCCCCCBr 7a_100000760002_100000740836 [1,1,0,0,0,0|1,0,1]=4 8147 B13R0.336 COCCCOCCCCCCCN 34a_100011996573_100000740836 [1,1,0,0,0,0|1,0,1]=4 8148 B13R0.336 COCCCOCCCCCCCO 34a_100000740835_100000760002 [1,1,0,0,0,0|1,0,1]=4 8149 B13R0.336 COCCOCCCCCCCCBr 34a_100009813846_100011201679 [1,1,0,0,0,0|1,0,1]=4 8150 B13R0.336 COCCOCCCCCCCCBr 7a_100009813846_100000233755 [1,1,0,0,0,0|1,0,1]=4 8151 B13R0.336 COCCOCCCCCCCCCl 34a_100000033203_100011201679 [1,1,0,0,0,0|1,0,1]=4 8152 B13R0.336 COCCOCCCCCCCCCl 7a_100000033203_100000233755 [1,1,0,0,0,0|1,0,1]=4 8153 B13R0.336 COCCOCCCCCCCCN 34a_102515433106_100011201679 [1,1,0,0,0,0|1,0,1]=4 8154 B13R0.336 COCCOCCCCCCCCO 34a_100000210237_100000033203 [1,1,0,0,0,0|1,0,1]=4 8155 B13R0.336 CSCCCOCCCCCCCO 34a_100000690336_100000760002 [1,1,0,0,0,0|1,0,1]=4 8156 B13R0.336 CSCCCOCCCCCCCO 7a_100000690336_100000760002 [1,1,0,0,0,0|1,0,1]=4 8157 B13R0.336 CSCCOCCCCCCCCBr 34a_100009813846_100000212216 [1,1,0,0,0,0|1,0,1]=4 8158 B13R0.336 CSCCOCCCCCCCCBr 7a_100009813846_100000212216 [1,1,0,0,0,0|1,0,1]=4 8159 B13R0.336 CSCCOCCCCCCCCCl 34a_100000033203_100000212216 [1,1,0,0,0,0|1,0,1]=4 8160 B13R0.336 CSCCOCCCCCCCCCl 7a_100000033203_100000212216 [1,1,0,0,0,0|1,0,1]=4 8161 B13R0.336 CSCCOCCCCCCCCN 34a_102515433106_100000212216 [1,1,0,0,0,0|1,0,1]=4 8162 B13R0.336 CSCCOCCCCCCCCO 34a_100000230434_100000033203 [1,1,0,0,0,0|1,0,1]=4 8163 B13R0.336 CSCCOCCCCCCCCO 7a_100000230434_100000033203 [1,1,0,0,0,0|1,0,1]=4 8164 B13R0.336 FCCCCOCCCCCCCBr 34a_100000760002_100000729493 [1,1,0,0,0,0|1,0,1]=4 8165 B13R0.336 FCCCCOCCCCCCCBr 7a_100000760002_100000729493 [1,1,0,0,0,0|1,0,1]=4 8166 B13R0.336 FCCCOCCCCCCCCBr 34a_100009813846_100011934791 [1,1,0,0,0,0|1,0,1]=4 8167 B13R0.336 FCCCOCCCCCCCCBr 7a_100009813846_100011934791 [1,1,0,0,0,0|1,0,1]=4 8168 B13R0.336 FCCCOCCCCCCCCCl 34a_100000033203_100011934791 [1,1,0,0,0,0|1,0,1]=4 8169 B13R0.336 FCCCOCCCCCCCCCl 7a_100000033203_100011934791 [1,1,0,0,0,0|1,0,1]=4 8170 B13R0.336 NCCCCCCCCOCCCF 34a_102515433106_100011934791 [1,1,0,0,0,0|1,0,1]=4 8171 B13R0.336 NCCCCCCCCOCCCO 34a_102515433106_100000230001 [1,1,0,0,0,0|1,0,1]=4 8172 B13R0.336 NCCCCCCCOCCCCF 34a_100011996573_100000729493 [1,1,0,0,0,0|1,0,1]=4 8173 B13R0.336 NCCCCCCCOCCCCO 34a_100011996573_100011216708 [1,1,0,0,0,0|1,0,1]=4 8174 B13R0.336 NCCCCOCCCCCCCO 34a_100000750430_100000760002 [1,1,0,0,0,0|1,0,1]=4 8175 B13R0.336 NCCCOCCCCCCCCO 34a_100000182051_100000033203 [1,1,0,0,0,0|1,0,1]=4 8176 B13R0.336 OCCCCCCCCOCCCBr 34a_100011217188_100000033203 [1,1,0,0,0,0|1,0,1]=4 8177 B13R0.336 OCCCCCCCCOCCCCl 34a_100000230001_100000033203 [1,1,0,0,0,0|1,0,1]=4 8178 B13R0.336 OCCCCCCCCOCCCF 34a_100000759539_100000033203 [1,1,0,0,0,0|1,0,1]=4 8179 B13R0.336 OCCCCCCCOCCCCBr 34a_100011216708_100000760002 [1,1,0,0,0,0|1,0,1]=4 8180 B13R0.336 OCCCCCCCOCCCCCl 34a_100000210776_100000760002 [1,1,0,0,0,0|1,0,1]=4 8181 B13R0.336 OCCCCCCCOCCCCCl 7a_100000210776_100000760002 [1,1,0,0,0,0|1,0,1]=4 8182 B13R0.336 OCCCCCCCOCCCCF 34a_100011995726_100000760002 [1,1,0,0,0,0|1,0,1]=4 8183 B13R0.336 OCCCCCCCOCCCCF 7a_100011995726_100000760002 [1,1,0,0,0,0|1,0,1]=4 8184 B13R0.336 OCCCCCCCOCCCCI 34a_200012148704_100000760002 [1,1,0,0,0,0|1,0,1]=4 8185 B13R0.336 OCCCCOCCCCCCCBr 34a_100000760002_100011216708 [1,1,0,0,0,0|1,0,1]=4 8186 B13R0.336 OCCCCOCCCCCCCBr 7a_100000760002_100000210776 [1,1,0,0,0,0|1,0,1]=4 8187 B13R0.336 OCCCOCCCCCCCCBr 34a_100009813846_100000230001 [1,1,0,0,0,0|1,0,1]=4 8188 B13R0.336 OCCCOCCCCCCCCBr 7a_100009813846_100011215043 [1,1,0,0,0,0|1,0,1]=4 8189 B13R0.336 OCCCOCCCCCCCCCl 34a_100000033203_100000230001 [1,1,0,0,0,0|1,0,1]=4 8190 B13R0.336 OCCCOCCCCCCCCCl 7a_100000033203_100011215043 [1,1,0,0,0,0|1,0,1]=4 8191 B13R0.338 CCC/C=C/COC(C)CCCCC 34a_100016278788_200011218191 [1,1,0,0,0,0|2,0,0]=4 8192 B13R0.338 CCC/C=C/COC(C)CCCCC 7a_100016278788_200011218191 [1,1,0,0,0,0|2,0,0]=4 8193 B13R0.338 CCCC=CC(=O)CCCCCCC 1458a_100000212230_100000210614 [1,1,0,0,0,0|1,0,1]=4 8194 B13R0.338 CCCCCC(=O)CCOCCCC 1458a_100000212188_100000743108 [1,1,0,0,0,0|0,0,2]=4 8195 B13R0.338 CCCCCC(C)NCOCCCC 2230a_100000211957_100011995733 [1,1,0,0,0,0|1,0,1]=4 8196 B13R0.338 CCCCCC(C)OCOCCCC 34a_100011215632_100011995733 [1,1,0,0,0,0|1,0,1]=4 8197 B13R0.338 CCCCCC(C)SCOCCCC 62a_100011995733_200011218191 [1,1,0,0,0,0|1,0,1]=4 8198 B13R0.338 CCCCCC(C)SCOCCCC 62a_200011218191_100011995733 [1,1,0,0,0,0|1,0,1]=4 8199 B13R0.338 CCCCCCCC(C)NCCCC 2230a_100000102301_200011218727 [1,1,0,0,0,0|1,0,1]=4 8200 B13R0.338 CCCCCCCC(C)NCCCC 270004a_100000102301_100000210596 [1,1,0,0,0,0|1,0,1]=4 8201 B13R0.338 CCCCCCCC(C)NCCCC 7a_106832991798_200011218727 [1,1,0,0,0,0|1,0,1]=4 8202 B13R0.338 CCCCCCCC(C)OCCCBr 34a_100011217188_200011218727 [1,1,0,0,0,0|1,0,1]=4 8203 B13R0.338 CCCCCCCC(C)OCCCC 34a_100000210227_200011218727 [1,1,0,0,0,0|0,0,1]=3 8204 B13R0.338 CCCCCCCC(C)OCCCC 34a_200011215852_100000210210 [1,1,0,0,0,0|0,0,1]=3 8205 B13R0.338 CCCCCCCC(C)OCCCC 7a_100000210227_200011218727 [1,1,0,0,0,0|0,0,1]=3 8206 B13R0.338 CCCCCCCC(C)OCCCC 7a_200011215852_100000210211 [1,1,0,0,0,0|0,0,1]=3 8207 B13R0.338 CCCCCCCC(C)OCCCCl 34a_100000230001_200011218727 [1,1,0,0,0,0|1,0,1]=4 8208 B13R0.338 CCCCCCCC(C)OCCCF 34a_100000759539_200011218727 [1,1,0,0,0,0|1,0,1]=4 8209 B13R0.338 CCCCCCCC(C)OCCCF 34a_200011215852_100011934791 [1,1,0,0,0,0|1,0,1]=4 8210 B13R0.338 CCCCCCCC(C)OCCCF 7a_200011215852_100011934791 [1,1,0,0,0,0|1,0,1]=4 8211 B13R0.338 CCCCCCCC(C)OCCCN 34a_100000182051_200011218727 [1,1,0,0,0,0|1,0,1]=4 8212 B13R0.338 CCCCCCCC(C)OCCCO 34a_200011215852_100000230001 [1,1,0,0,0,0|1,0,1]=4 8213 B13R0.338 CCCCCCCC(C)OCCCO 7a_200011215852_100011215043 [1,1,0,0,0,0|1,0,1]=4 8214 B13R0.338 CCCCCCCC(C)OCCOC 34a_100000210237_200011218727 [1,1,0,0,0,0|1,0,1]=4 8215 B13R0.338 CCCCCCCC(C)OCCOC 34a_200011215852_100011201679 [1,1,0,0,0,0|1,0,1]=4 8216 B13R0.338 CCCCCCCC(C)OCCOC 7a_200011215852_100000233755 [1,1,0,0,0,0|1,0,1]=4 8217 B13R0.338 CCCCCCCC(C)OCCSC 34a_100000230434_200011218727 [1,1,0,0,0,0|1,0,1]=4 8218 B13R0.338 CCCCCCCC(C)OCCSC 34a_200011215852_100000212216 [1,1,0,0,0,0|1,0,1]=4 8219 B13R0.338 CCCCCCCC(C)OCCSC 7a_100000230434_200011218727 [1,1,0,0,0,0|1,0,1]=4 8220 B13R0.338 CCCCCCCC(C)OCCSC 7a_200011215852_100000212216 [1,1,0,0,0,0|1,0,1]=4 8221 B13R0.338 CCCCCCCC(C)SCCCC 62a_100000210211_200011218727 [1,1,0,0,0,0|0,1,1]=4 8222 B13R0.338 CCCCCCCC(C)SCCCC 62a_200011218727_100000210210 [1,1,0,0,0,0|0,1,1]=4 8223 B13R0.338 CCCCCN(C)CCOCCCC 2230a_100000223495_100000743108 [1,1,0,0,0,0|1,0,1]=4 8224 B13R0.338 CCCCCN(C)CCOCCCC 269982a_100000223495_100000743108 [1,1,0,0,0,0|1,0,1]=4 8225 B13R0.113 CCCCC(C)NCCNC(=O)CC 270004a_100132302217_100000210087 [1,1,0,0,0,0|2,0,0]=4 8226 B13R0.113 CCCCC(C)NCCNC(=O)CC 34a_100132302217_200011215066 [1,1,0,0,0,0|2,0,0]=4 8227 B13R0.113 CCCCC(C)OCCNC(=O)CC 34a_200000158885_200011215066 [1,1,0,0,0,0|2,0,0]=4 8228 B13R0.113 CCCCC(C)OCCNC(=O)CC 7a_200000158885_200011215066 [1,1,0,0,0,0|2,0,0]=4 8229 B13R0.113 CCCCC(C)OCCOC(=O)CC 7a_200000031056_200011215066 [1,1,0,0,0,0|1,0,0]=3 8230 B13R0.113 CCCCC(C)OCCOC(=O)NC 34a_100000687866_200011997002 [1,1,0,0,0,0|2,0,0]=4 8231 B13R0.113 CCCCC(C)OCCOC(=O)NC 7a_100000687866_200011997002 [1,1,0,0,0,0|2,0,0]=4 8232 B13R0.113 CCCCC(C)OCCOC(=O)OC 34a_100010262106_200011215066 [1,1,0,0,0,0|2,0,0]=4 8233 B13R0.113 CCCCC(C)SCCOC(=O)NC 62a_200011215066_200011997002 [1,1,0,0,0,0|2,0,0]=4 8234 B13R0.113 CCCCC(C)SCCOC(=O)NC 62a_200011997002_200011215066 [1,1,0,0,0,0|2,0,0]=4 8235 B13R0.150 C=C(C)C(=O)CCCCCCCCC 1458a_100000185857_100000210670 [1,1,0,0,0,0|1,0,1]=4 8236 B13R0.150 C=C(C)C(=O)NCCCCCCCC 11a_100000229939_100000185857 [1,1,0,0,0,0|1,0,1]=4 8237 B13R0.150 C=C(C)C(=O)NCCCCCCCC 1626a_100000229939_100000185857 [1,1,0,0,0,0|1,0,1]=4 8238 B13R0.150 C=C(C)C(=O)OCCCCCCNC 2230a_106832991635_200010402237 [1,1,0,0,0,0|1,0,1]=4 8239 B13R0.150 C=C(C)C(=O)OCCCCCCNC 34a_100102657272_200010402237 [1,1,0,0,0,0|1,0,1]=4 8240 B13R0.150 C=C(C)C(=O)OCCCCCCNC 7a_106832991635_200010402237 [1,1,0,0,0,0|1,0,1]=4 8241 B13R0.150 C=C(C)C(=O)OCCCCCCOC 34a_100138415774_200010402237 [1,1,0,0,0,0|1,0,1]=4 8242 B13R0.150 C=C(C)C(=O)OCCCCCCSC 62a_200000210301_200010402237 [1,1,0,0,0,0|1,0,1]=4 8243 B13R0.150 C=C(C)C(=O)OCCCCCCSC 62a_200010402237_200000210301 [1,1,0,0,0,0|1,0,1]=4 8244 B13R0.150 C=C(C)C(=O)OCCCCCCS[13CH3] 62a_200010402237_200025704644 [1,1,0,0,0,0|1,0,1]=4 8245 B13R0.150 C=C(C)C(=O)OCCCCCCS[13CH3] 62a_200025704644_200010402237 [1,1,0,0,0,0|1,0,1]=4 8246 B13R0.150 C=C(C)C(=O)OCCCCOCCC 7a_100000065474_100000210303 [1,1,0,0,0,0|1,0,1]=4 8247 B13R0.150 C=C(C)C(=O)OCCCOCCCC 7a_100000032641_100000210211 [1,1,0,0,0,0|1,0,1]=4 8248 B13R0.150 C=C(C)C(=O)OCCNCCCCC 2230a_100000209983_100009816335 [1,1,0,0,0,0|1,0,1]=4 8249 B13R0.150 C=C(C)C(=O)OCCOCCCCC 34a_100000210253_100009816335 [1,1,0,0,0,0|1,0,1]=4 8250 B13R0.150 C=C(C)C(=O)OCCOCCCCC 7a_100000210253_100009816335 [1,1,0,0,0,0|1,0,1]=4 8251 B13R0.150 C=C(C)C(=O)OCCSCCCCC 62a_100000210326_100009816335 [1,1,0,0,0,0|1,0,1]=4 8252 B13R0.150 C=C(C)C(=O)OCCSCCCCC 62a_100009816335_100000210326 [1,1,0,0,0,0|1,0,1]=4 8253 B13R0.150 CC(C)C(=O)CCCCCCCCO 1458a_100000210198_100000033203 [1,1,0,0,0,0|2,0,0]=4 8254 B13R0.150 CC(C)C(=O)NCCCCCCCO 240690a_100011996573_100000210198 [1,1,0,0,0,0|2,0,0]=4 8255 B13R0.150 CC(C)C(=O)OCSCCCCCF 62a_100000139345_100000729378 [1,1,0,0,0,0|2,0,0]=4 8256 B13R0.150 CC(C)C(=O)OCSCCCCCF 62a_100000729378_100000139345 [1,1,0,0,0,0|2,0,0]=4 8257 B13R0.150 CC(C)C(=O)OCSCCCCCO 62a_100000139345_100000746330 [1,1,0,0,0,0|2,0,0]=4 8258 B13R0.150 CC(C)C(=O)OCSCCCCCO 62a_100000746330_100000139345 [1,1,0,0,0,0|2,0,0]=4 8259 B13R0.150 CC(F)C(=O)CCCCCCCCO 1458a_100000062450_100000033203 [1,1,0,0,0,0|2,0,0]=4 8260 B13R0.150 CC(F)C(=O)NCCCCCCCO 240690a_100011996573_100000062450 [1,1,0,0,0,0|2,0,0]=4 8261 B13R0.150 CCCCCCCC=CC(=O)C(C)C 1458a_200015332781_100000210206 [1,1,0,0,0,0|1,0,1]=4 8262 B13R0.150 CCCCCCCCCC(=O)C(C)C 1458a_100000210198_100000210670 [1,1,0,0,0,0|1,0,0]=3 8263 B13R0.150 CCCCCCCCCC(=O)C(C)C 1458a_100000210558_100000210206 [1,1,0,0,0,0|1,0,0]=3 8264 B13R0.150 CCCCCCCCCC(=O)C(C)F 1458a_100000062450_100000210670 [1,1,0,0,0,0|1,0,0]=3 8265 B13R0.150 CCCCCCCCCC(=O)C(O)O 1458a_100000233687_100000210670 [1,1,0,0,0,0|2,0,0]=4 8266 B13R0.150 CCCCCCCCCC(=O)N(C)C 11a_100102631434_100000210558 [1,1,0,0,0,0|2,0,0]=4 8267 B13R0.150 CCCCCCCCCC(=O)N(C)C 1626a_100102631434_100000210558 [1,1,0,0,0,0|2,0,0]=4 8268 B13R0.150 CCCCCCCCCC(=O)N(C)C 240690a_100102631434_100000210558 [1,1,0,0,0,0|2,0,0]=4 8269 B13R0.150 CCCCCCCCCC(=O)N(C)C 527a_100102631434_100000210558 [1,1,0,0,0,0|2,0,0]=4 8270 B13R0.150 CCCCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210670 [1,1,0,0,0,0|1,0,0]=3 8271 B13R0.150 CCCCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210670 [1,1,0,0,0,0|1,0,0]=3 8272 B13R0.150 CCCCCCCCNC(=O)C(C)C 11a_100000229939_100000210198 [1,1,0,0,0,0|1,0,0]=3 8273 B13R0.150 CCCCCCCCNC(=O)C(C)C 1626a_100000229939_100000210198 [1,1,0,0,0,0|1,0,0]=3 8274 B13R0.150 CCCCCCCCNC(=O)C(C)C 240690a_100000229939_100000210198 [1,1,0,0,0,0|1,0,0]=3 8275 B13R0.150 CCCCCCCCNC(=O)C(C)C 527a_100000229939_100000210198 [1,1,0,0,0,0|1,0,0]=3 8276 B13R0.150 CCCCCCCCNC(=O)C(C)F 11a_100000229939_100000062450 [1,1,0,0,0,0|1,0,0]=3 8277 B13R0.150 CCCCCCCCNC(=O)C(C)F 1626a_100000229939_100000062450 [1,1,0,0,0,0|1,0,0]=3 8278 B13R0.150 CCCCCCCCNC(=O)C(C)F 240690a_100000229939_100000062450 [1,1,0,0,0,0|1,0,0]=3 8279 B13R0.150 CCCCCCCCNC(=O)C(C)F 527a_100000229939_100000062450 [1,1,0,0,0,0|1,0,0]=3 8280 B13R0.150 CCCCCCCCNC(=O)C(F)F 11a_100000229939_100000210393 [1,1,0,0,0,0|2,0,0]=4 8281 B13R0.150 CCCCCCCCNC(=O)C(F)F 1626a_100000229939_100000210393 [1,1,0,0,0,0|2,0,0]=4 8282 B13R0.150 CCCCCCCCNC(=O)C(F)F 240690a_100000229939_100000210393 [1,1,0,0,0,0|2,0,0]=4 8283 B13R0.150 CCCCCCCCNC(=O)C(F)F 527a_100000229939_100000210393 [1,1,0,0,0,0|2,0,0]=4 8284 B13R0.150 CCCCCCCCNC(=O)C(O)O 240690a_100000229939_100000233687 [1,1,0,0,0,0|2,0,0]=4 8285 B13R0.150 CCCCCCCCNC(=O)N(C)C 2708a_100000229939_100102631434 [1,1,0,0,0,0|2,0,0]=4 8286 B13R0.150 CCCCCCCCNC(=O)[C@@H](C)O 240690a_100000229939_100000717761 [1,1,0,0,0,0|1,0,0]=3 8287 B13R0.150 CCCCCCCCNC(=O)[C@H](C)O 1626a_100000229939_217856618621 [1,1,0,0,0,0|1,0,0]=3 8288 B13R0.150 CCCCCCCCNC(=O)[C@H](C)O 240690a_100000229939_217856618621 [1,1,0,0,0,0|1,0,0]=3 8289 B13R0.150 CCCCCCCCOC(C)C(C)C 7a_100000748068_100000210759 [1,1,0,0,0,0|1,0,1]=4 8290 B13R0.150 CCCCCCCNCC(=O)C(C)C 2230a_100000229938_100000753385 [1,1,0,0,0,0|2,0,0]=4 8291 B13R0.150 CCCCCCCOCC(=O)C(C)C 34a_100000210272_100000753385 [1,1,0,0,0,0|2,0,0]=4 8292 B13R0.150 CCCCCCCOCC(=O)C(C)C 7a_100000210272_100000753385 [1,1,0,0,0,0|2,0,0]=4 8293 B13R0.150 CCCCCCCSCC(=O)C(C)C 62a_100000210614_100000753385 [1,1,0,0,0,0|2,0,0]=4 8294 B13R0.150 CCCCCCCSCC(=O)C(C)C 62a_100000753385_100000210316 [1,1,0,0,0,0|2,0,0]=4 8295 B13R0.150 CCCCCCSCOC(=O)C(C)C 62a_100000139345_100000210757 [1,1,0,0,0,0|1,0,0]=3 8296 B13R0.150 CCCCCCSCOC(=O)C(C)C 62a_100000210314_100000139345 [1,1,0,0,0,0|1,0,0]=3 8297 B13R0.150 CCCCCNCCNC(=O)C(C)C 2230a_100000752568_100000210326 [1,1,0,0,0,0|2,0,0]=4 8298 B13R0.150 CCCCCNCCNC(=O)C(C)C 34a_100000752568_100000718602 [1,1,0,0,0,0|2,0,0]=4 8299 B13R0.150 CCCCOCCCNC(=O)C(C)C 1626a_200000211371_100000210198 [1,1,0,0,0,0|2,0,0]=4 8300 B13R0.150 CCCCOCCCNC(=O)C(C)C 240690a_200000211371_100000210198 [1,1,0,0,0,0|2,0,0]=4 8301 B13R0.150 CCCCOCCCNC(=O)C(C)C 527a_200000211371_100000210198 [1,1,0,0,0,0|2,0,0]=4 8302 B13R0.150 CCCCOCCCNC(=O)C(C)F 1626a_200000211371_100000062450 [1,1,0,0,0,0|2,0,0]=4 8303 B13R0.150 CCCCOCCCNC(=O)C(C)F 240690a_200000211371_100000062450 [1,1,0,0,0,0|2,0,0]=4 8304 B13R0.150 CCCCOCCCNC(=O)C(C)F 527a_200000211371_100000062450 [1,1,0,0,0,0|2,0,0]=4 8305 B13R0.150 CCCCOCCCNC(=O)[C@@H](C)O 240690a_200000211371_100000717761 [1,1,0,0,0,0|2,0,0]=4 8306 B13R0.150 CCCCOCCCNC(=O)[C@H](C)O 1626a_200000211371_217856618621 [1,1,0,0,0,0|2,0,0]=4 8307 B13R0.150 CCCCOCCCNC(=O)[C@H](C)O 240690a_200000211371_217856618621 [1,1,0,0,0,0|2,0,0]=4 8308 B13R0.150 CCCCOCSCOC(=O)C(C)C 62a_100000139345_100011995733 [1,1,0,0,0,0|2,0,0]=4 8309 B13R0.150 CCCCOCSCOC(=O)C(C)C 62a_100011995733_100000139345 [1,1,0,0,0,0|2,0,0]=4 8310 B13R0.150 CCCOCCSCOC(=O)C(C)C 62a_100000139345_100011215938 [1,1,0,0,0,0|2,0,0]=4 8311 B13R0.150 CCCOCCSCOC(=O)C(C)C 62a_100011215938_100000139345 [1,1,0,0,0,0|2,0,0]=4 8312 B13R0.150 CCOCCCSCOC(=O)C(C)C 62a_100000139345_100012232248 [1,1,0,0,0,0|2,0,0]=4 8313 B13R0.150 CCOCCCSCOC(=O)C(C)C 62a_100012232248_100000139345 [1,1,0,0,0,0|2,0,0]=4 8314 B13R0.150 COCCCCSCOC(=O)C(C)C 62a_100000139345_100000730899 [1,1,0,0,0,0|2,0,0]=4 8315 B13R0.150 COCCCCSCOC(=O)C(C)C 62a_100000730899_100000139345 [1,1,0,0,0,0|2,0,0]=4 8316 B13R0.150 C[C@@H](O)C(=O)CCCCCCCCO 1458a_100000717761_100000033203 [1,1,0,0,0,0|2,0,0]=4 8317 B13R0.150 C[C@@H](O)C(=O)NCCCCCCCO 240690a_100011996573_100000717761 [1,1,0,0,0,0|2,0,0]=4 8318 B13R0.150 C[C@H](O)C(=O)CCCCCCCCO 1458a_217856618621_100000033203 [1,1,0,0,0,0|2,0,0]=4 8319 B13R0.150 C[C@H](O)C(=O)NCCCCCCCO 240690a_100011996573_217856618621 [1,1,0,0,0,0|2,0,0]=4 8320 B13R0.194 CCCCCC(=O)CCOC(=O)NC 1458a_100000212188_200011997002 [1,1,0,0,0,0|1,0,1]=4 8321 B13R0.194 CCCCCC(C)SCOC(=O)OC 62a_200011218191_100000139417 [1,1,0,0,0,0|2,0,0]=4 8322 B13R0.194 CCCCCC(O)CCCC(=O)NC 1626a_100102657272_100020618878 [1,1,0,0,0,0|2,0,0]=4 8323 B13R0.194 CCCCCC(O)CCCC(=O)NC 240690a_100102657272_100020618878 [1,1,0,0,0,0|2,0,0]=4 8324 B13R0.194 CCCCCC(O)CCCC(=O)NC 527a_100102657272_100020618878 [1,1,0,0,0,0|2,0,0]=4 8325 B13R0.194 CCCCCN(C)CCOC(=O)NC 269982a_100000223495_200011997002 [1,1,0,0,0,0|2,0,0]=4 8326 B13R0.201 CCC(C)CCCCCOC(C)CC 7a_200000035636_100000758301 [1,1,0,0,0,0|1,0,1]=4 8327 B13R0.201 CCC(C)CCOCCOC(=O)NC 7a_100011215188_200011997002 [1,1,0,0,0,0|2,0,0]=4 8328 B13R0.202 CC(C)CCCCCCNC(=O)CO 240690a_100000211014_100000210174 [1,1,0,0,0,0|2,0,0]=4 8329 B13R0.202 CC(C)CCCCCCNC(=O)CO 527a_100000211014_100000210174 [1,1,0,0,0,0|2,0,0]=4 8330 B13R0.202 CCC(=O)COCCCCCC(C)C 34a_100000725409_100000210682 [1,1,0,0,0,0|2,0,0]=4 8331 B13R0.202 CCC(=O)COCCCCCC(C)C 7a_100011995859_100000747405 [1,1,0,0,0,0|2,0,0]=4 8332 B13R0.202 CCC(=O)CSCCCCCC(C)C 62a_100000210682_100000747405 [1,1,0,0,0,0|2,0,0]=4 8333 B13R0.202 CCC(=O)CSCCCCCC(C)C 62a_100000747405_100000210682 [1,1,0,0,0,0|2,0,0]=4 8334 B13R0.202 CCC(=O)NCCCCCCC(C)C 11a_100000211014_100000210414 [1,1,0,0,0,0|1,0,0]=3 8335 B13R0.202 CCC(=O)NCCCCCCC(C)C 1626a_100000211014_100000210414 [1,1,0,0,0,0|1,0,0]=3 8336 B13R0.202 CCC(=O)NCCCCCCC(C)C 240690a_100000211014_100000210414 [1,1,0,0,0,0|1,0,0]=3 8337 B13R0.202 CCC(=O)NCCCCCCC(C)C 527a_100000211014_100000210414 [1,1,0,0,0,0|1,0,0]=3 8338 B13R0.202 CCC(=O)NCCCCCCN(C)C 240690a_200011233508_100000210414 [1,1,0,0,0,0|2,0,0]=4 8339 B13R0.202 CCC(=O)NCCNCCCC(C)C 34a_100132302217_100011214892 [1,1,0,0,0,0|2,0,0]=4 8340 B13R0.202 CCC(=O)NCCNCCCC(C)O 34a_100132302217_200000718107 [1,1,0,0,0,0|2,0,0]=4 8341 B13R0.202 CCC(=O)NCCOCCCC(C)C 34a_200000158885_100011214892 [1,1,0,0,0,0|2,0,0]=4 8342 B13R0.202 CCC(=O)NCCOCCCC(C)C 7a_200000158885_100011214892 [1,1,0,0,0,0|2,0,0]=4 8343 B13R0.202 CCC(=O)NCCOCCCC(C)O 34a_200000158885_200000718107 [1,1,0,0,0,0|2,0,0]=4 8344 B13R0.202 CCC(=O)NCCOCCCC(C)O 7a_200000158885_200000718107 [1,1,0,0,0,0|2,0,0]=4 8345 B13R0.202 CCC(=O)OCCOCCCC(=O)C 7a_200000031056_100011215641 [1,1,0,0,0,0|1,0,1]=4 8346 B13R0.202 CCC(=O)OCCOCCCC(C)C 7a_200000031056_100011214892 [1,1,0,0,0,0|1,0,0]=3 8347 B13R0.202 CCC(=O)OCCOCCCC(C)O 7a_200000031056_200000718107 [1,1,0,0,0,0|1,0,0]=3 8348 B13R0.202 CCC(=O)OCCOCCCN(C)C 7a_200000031056_100000757444 [1,1,0,0,0,0|2,0,0]=4 8349 B13R0.202 CCC(=O)OCCOCCOC(C)C 7a_200000031056_100000211751 [1,1,0,0,0,0|2,0,0]=4 8350 B13R0.202 CCC(=O)OCCOCCSC(C)C 7a_200000031056_100000730970 [1,1,0,0,0,0|2,0,0]=4 8351 B13R0.202 CNC(=O)NCCCCCCC(C)C 2708a_100000211014_106832991635 [1,1,0,0,0,0|2,0,0]=4 8352 B13R0.202 CNC(=O)NCCCCCCC(C)C 2708a_100102657272_100000211014 [1,1,0,0,0,0|2,0,0]=4 8353 B13R0.202 CNC(=O)NCCCCCCC(C)C 273464a_100000211014_100102657272 [1,1,0,0,0,0|2,0,0]=4 8354 B13R0.202 CNC(=O)NCCCCCCC(C)C 273464a_100102657272_100000211014 [1,1,0,0,0,0|2,0,0]=4 8355 B13R0.202 CNC(=O)NCCCCCCC(C)C 512a_100000211014_100102657272 [1,1,0,0,0,0|2,0,0]=4 8356 B13R0.202 CNC(=O)NCCCCCCC(C)C 512a_106832991638_100000211014 [1,1,0,0,0,0|2,0,0]=4 8357 B13R0.202 CNC(=O)OCCNCCCC(C)C 34a_200000737386_200011997002 [1,1,0,0,0,0|2,0,0]=4 8358 B13R0.202 CNC(=O)OCCOCCCC(C)C 34a_100000210774_200011997002 [1,1,0,0,0,0|2,0,0]=4 8359 B13R0.202 CNC(=O)OCCOCCCC(C)C 7a_100000210774_200011997002 [1,1,0,0,0,0|2,0,0]=4 8360 B13R0.202 CNC(=O)OCCSCCCC(C)C 62a_100011214892_200011997002 [1,1,0,0,0,0|2,0,0]=4 8361 B13R0.202 CNC(=O)OCCSCCCC(C)C 62a_200011997002_100011214892 [1,1,0,0,0,0|2,0,0]=4 8362 B13R0.202 CNC(=O)OCCSCCCC(C)O 62a_200000718107_200011997002 [1,1,0,0,0,0|2,0,0]=4 8363 B13R0.202 CNC(=O)OCCSCCCC(C)O 62a_200011997002_200000718107 [1,1,0,0,0,0|2,0,0]=4 8364 B13R0.202 COC(=O)OCCOCCCC(C)C 34a_100010262106_100011214892 [1,1,0,0,0,0|2,0,0]=4 8365 B13R0.202 COC(=O)OCCOCCCC(C)O 34a_100010262106_200000718107 [1,1,0,0,0,0|2,0,0]=4 8366 B13R0.202 COC(=O)OCSCCCCC(C)C 62a_100011216152_100000139417 [1,1,0,0,0,0|2,0,0]=4 8367 B13R0.274 CCCCCCCC(=O)CC(=O)CC 1458a_100000211969_100000747405 [1,1,0,0,0,0|1,0,1]=4 8368 B13R0.274 CCCCCCCC(C)OC(C)CC 34a_200011215852_100011215416 [1,1,0,0,0,0|1,0,1]=4 8369 B13R0.274 CCCCCCCC(C)OC(C)CC 7a_100000210228_200011218727 [1,1,0,0,0,0|1,0,1]=4 8370 B13R0.274 CCCCCCCC(C)OC(C)CC 7a_200011215852_100000758301 [1,1,0,0,0,0|1,0,1]=4 8371 B13R0.274 CCCCCCCC(O)CC(=O)CC 1458a_200011667753_100000210202 [1,1,0,0,0,0|1,0,0]=3 8372 B13R0.274 CCCCCCCC(O)CC(=O)CF 1458a_200011667753_100015361967 [1,1,0,0,0,0|2,0,0]=4 8373 B13R0.274 CCCCCCCC(O)CC(=O)NC 1626a_100102657272_200011667753 [1,1,0,0,0,0|2,0,0]=4 8374 B13R0.274 CCCCCCCC(O)CC(=O)NC 240690a_100102657272_200011667753 [1,1,0,0,0,0|2,0,0]=4 8375 B13R0.274 CCCCCCCN(C)CC(=O)CC 269982a_100000228206_100000747405 [1,1,0,0,0,0|2,0,0]=4 8376 B13R0.412 C#CC(CC)OCCCCCCCC 34a_100000758843_100000210759 [1,1,0,0,0,0|1,0,1]=4 8377 B13R0.412 C#CC(CC)OCCCCCCCC 7a_100000758843_100000210759 [1,1,0,0,0,0|1,0,1]=4 8378 B13R0.412 C=CC(CC)OCCCCCCCC 34a_100000766422_100000210759 [1,1,0,0,0,0|1,0,1]=4 8379 B13R0.412 C=CC(CC)OCCCCCCCC 7a_100000766422_100000210759 [1,1,0,0,0,0|1,0,1]=4 8380 B13R0.412 CCCCCCCCOC(CC)CC 7a_100000210232_100000210505 [1,1,0,0,0,0|1,0,1]=4 8381 B13R0.412 CCCCCCCCOC(CC)CC 7a_100000688536_100000210759 [1,1,0,0,0,0|1,0,1]=4 8382 B13R0.1170 CCCCCCC(=O)CNC(=O)CC 1458a_100000194589_100000210757 [1,1,0,0,0,0|1,0,1]=4 8383 B13R0.1170 CCCCCCC(C)OCC(=O)CC 34a_100000725409_100011215978 [1,1,0,0,0,0|2,0,0]=4 8384 B13R0.1170 CCCCCCC(C)OCC(=O)CC 7a_100000210265_100000747405 [1,1,0,0,0,0|2,0,0]=4 8385 B13R0.1170 CCCCCCC(C)SCC(=O)CC 62a_100000747405_100011215978 [1,1,0,0,0,0|2,0,0]=4 8386 B13R0.1170 CCCCCCC(C)SCC(=O)CC 62a_100011215978_100000747405 [1,1,0,0,0,0|2,0,0]=4 8387 B13R0.1215 CCCCCCCCNS(=O)(=O)CC 270084a_100000229939_100000211323 [1,1,0,0,0,0|2,0,0]=4 8388 B13R0.1215 CCCCCCCCNS(=O)(=O)CC 274078a_100000229939_100000211323 [1,1,0,0,0,0|2,0,0]=4 8389 B13R0.1215 CCCCCCCCNS(=O)(=O)CC 40a_100000229939_100000053943 [1,1,0,0,0,0|2,0,0]=4 8390 B13R0.1215 CCCCCCCCOC(C)(C)CC 7a_100000210230_100000210759 [1,1,0,0,0,0|1,0,1]=4 8391 B13R0.1215 CCCCCCCCOC(C)(C)CC 7a_100000210232_100000210677 [1,1,0,0,0,0|1,0,1]=4 8392 B15R0.1 CCCCC(=O)CCCCCC(=O)OCC 1458a_100000037472_100000210211 [0,2,0,0,0,0|2,0,0]=4 8393 B15R0.1 CCCCC(=O)CCCCCC(=O)OCC 1458a_100000210183_100000755133 [0,2,0,0,0,0|2,0,0]=4 8394 B15R0.1 CCCCC(=O)CCCOCC(=O)OCC 1458a_100000210183_100009893628 [0,2,0,0,0,0|1,0,1]=4 8395 B15R0.1 CCCCC(C)CCCCOC(C)CCC 34a_200011021034_100000766640 [0,2,0,0,0,0|1,0,1]=4 8396 B15R0.1 CCCCC(C)CCCCOC(C)CCC 7a_200011021034_100000766640 [0,2,0,0,0,0|1,0,1]=4 8397 B15R0.1 CCCCC(C)COCCCC(=O)OCC 34a_100011995851_100009991533 [0,2,0,0,0,0|2,0,0]=4 8398 B15R0.1 CCCCC(C)COCCCC(=O)OCC 7a_100011995851_100011215271 [0,2,0,0,0,0|2,0,0]=4 8399 B15R0.1 CCCCC(C)COCCNC(=O)OCC 7a_100011995851_200011445536 [0,2,0,0,0,0|2,0,0]=4 8400 B15R0.1 CCCCC(C)NCCCCC(=O)OCC 2230a_100000126638_100000750268 [0,2,0,0,0,0|2,0,0]=4 8401 B15R0.1 CCCCC(C)NCCOCC(=O)OCC 2230a_100000126638_100000088970 [0,2,0,0,0,0|2,0,0]=4 8402 B15R0.1 CCCCC(C)OCCCCC(=O)OCC 34a_100000687866_100000750268 [0,2,0,0,0,0|2,0,0]=4 8403 B15R0.1 CCCCC(C)OCCCCC(=O)OCC 7a_100000687866_100000750268 [0,2,0,0,0,0|2,0,0]=4 8404 B15R0.1 CCCCC(C)OCCOCC(=O)OCC 34a_100000687866_100000088970 [0,2,0,0,0,0|2,0,0]=4 8405 B15R0.1 CCCCC(C)OCCOCC(=O)OCC 7a_100000687866_100000088970 [0,2,0,0,0,0|2,0,0]=4 8406 B15R0.1 CCCCC(C)SCCCCC(=O)OCC 62a_100000750268_200011215066 [0,2,0,0,0,0|2,0,0]=4 8407 B15R0.1 CCCCC(C)SCCCCC(=O)OCC 62a_200011215066_100000750268 [0,2,0,0,0,0|2,0,0]=4 8408 B15R0.1 CCCCC(C)SCCOCC(=O)OCC 62a_100000088970_200011215066 [0,2,0,0,0,0|2,0,0]=4 8409 B15R0.1 CCCCC(C)SCCOCC(=O)OCC 62a_200011215066_100000088970 [0,2,0,0,0,0|2,0,0]=4 8410 B15R0.1 CCCCN(C)CCCCCC(=O)OCC 2230a_100000207549_100000755133 [0,2,0,0,0,0|2,0,0]=4 8411 B15R0.1 CCCCN(C)CCCCCC(=O)OCC 269982a_100000207549_100000755133 [0,2,0,0,0,0|2,0,0]=4 8412 B15R0.1 CCCCN(C)CCCOCC(=O)OCC 2230a_100000207549_100009893628 [0,2,0,0,0,0|2,0,0]=4 8413 B15R0.1 CCCCN(C)CCCOCC(=O)OCC 269982a_100000207549_100009893628 [0,2,0,0,0,0|2,0,0]=4 8414 B15R0.1 CCCC[C@H](N)COCCCC(=O)OCC 34a_100011934283_100009991533 [0,2,0,0,0,0|2,0,0]=4 8415 B15R0.1 CCCNC(=O)CCCOCC(C)CCC 7a_100000688023_100011194427 [0,2,0,0,0,0|2,0,0]=4 8416 B15R0.1 CCCNC(=O)CCCSCC(C)CCC 62a_100011194427_100011216630 [0,2,0,0,0,0|2,0,0]=4 8417 B15R0.1 CCCNC(=O)CCCSCC(C)CCC 62a_100011216630_100011194427 [0,2,0,0,0,0|2,0,0]=4 8418 B15R0.1 CCCNC(=O)COCCCC(C)CCC 34a_100011713154_100000183358 [0,2,0,0,0,0|2,0,0]=4 8419 B15R0.1 CCCNC(=O)COCCCC(C)CCC 7a_100011713154_100000183358 [0,2,0,0,0,0|2,0,0]=4 8420 B15R0.1 CCCOC(=O)COCCCC(C)CCC 34a_100011713154_200011215008 [0,2,0,0,0,0|2,0,0]=4 8421 B15R0.1 CCCOC(=O)COCCCC(C)CCC 7a_100011713154_200011215008 [0,2,0,0,0,0|2,0,0]=4 8422 B15R0.1 CCCOC(=O)OCOCCC(C)CCC 34a_100011217855_200000139673 [0,2,0,0,0,0|1,0,0]=3 8423 B15R0.1 CCCOC(=O)OCOCCC(C)CCC 7a_100011217855_200000139673 [0,2,0,0,0,0|1,0,0]=3 8424 B15R0.1 CCCOC(=O)OCOCC[C@@H](N)CCC 34a_100015193777_200000139673 [0,2,0,0,0,0|1,0,0]=3 8425 B15R0.115 CCCC(=O)OCOCC[C@@H](N)CC(C)C 34a_100161151251_100000034017 [0,2,0,0,0,0|1,0,0]=3 8426 B15R0.115 CCCC(C)COCCOC(=O)CC(=O)C 34a_100000688023_100000102702 [0,2,0,0,0,0|1,0,1]=4 8427 B15R0.115 CCCC(C)CSCCOC(=O)CC(=O)C 62a_100000102702_100011216630 [0,2,0,0,0,0|1,0,1]=4 8428 B15R0.115 CCCC(C)CSCCOC(=O)CC(=O)C 62a_100011216630_100000102702 [0,2,0,0,0,0|1,0,1]=4 8429 B15R0.115 CCC[C@H](N)COCCOC(=O)CC(=O)C 34a_100000732646_100000102702 [0,2,0,0,0,0|1,0,1]=4 8430 B15R0.1739 CCCC(=O)OCOCCC(CCC)SC 34a_100000032865_100000034017 [0,2,0,0,0,0|1,0,0]=3 8431 B15R0.209 CCCCC(C)OCCCCCC(C)CC 7a_200000035636_200011215066 [0,2,0,0,0,0|1,0,1]=4 8432 B15R0.209 CCCNC(=O)CCCNCCC(C)CC 2230a_100020591266_100011194427 [0,2,0,0,0,0|2,0,0]=4 8433 B15R0.209 CCCNC(=O)CCCOCCC(C)CC 7a_100011215188_100011194427 [0,2,0,0,0,0|2,0,0]=4 8434 B15R0.209 CCCOC(=O)OCOCCCC(C)CC 7a_100011216074_200000139673 [0,2,0,0,0,0|1,0,0]=3 8435 B15R0.209 CCCOC(=O)OCOCCC[C@@H](C)CN 34a_100160569302_200000139673 [0,2,0,0,0,0|2,0,0]=4 8436 B15R0.251 CCC(C)CCCCCOC(C)CC(C)C 7a_200000035636_100000731052 [0,2,0,0,0,0|1,0,1]=4 8437 B15R0.408 CCCC(=O)CCCCCCC(=O)OCC 1458a_100000031895_100000210303 [0,2,0,0,0,0|1,0,1]=4 8438 B15R0.408 CCCC(=O)CCCCCCC(=O)OCC 1458a_100000211992_100009814379 [0,2,0,0,0,0|1,0,1]=4 8439 B15R0.408 CCCC(=O)NCCCCCC(=O)OCC 188690a_100000062434_100000211992 [0,2,0,0,0,0|1,0,1]=4 8440 B15R0.408 CCCC(=O)OCOCCCC(C)CCC 34a_100011713154_100000034017 [0,2,0,0,0,0|0,0,0]=2 8441 B15R0.408 CCCC(=O)OCSCCCC(=O)OCC 62a_100009991533_100000034017 [0,2,0,0,0,0|1,0,1]=4 8442 B15R0.408 CCCC(C)CCCOCCC(=O)NCC 7a_100011713154_100000737597 [0,2,0,0,0,0|2,0,0]=4 8443 B15R0.408 CCCC(C)CCCOCCC(=O)OCC 34a_100011713154_100000765890 [0,2,0,0,0,0|2,0,0]=4 8444 B15R0.408 CCCC(C)CCCOCCC(=O)OCC 7a_100011713154_100011206558 [0,2,0,0,0,0|2,0,0]=4 8445 B15R0.408 CCCC(C)CCOCCCC(=O)OCC 34a_100011217855_100009991533 [0,2,0,0,0,0|2,0,0]=4 8446 B15R0.408 CCCC(C)CCOCCCC(=O)OCC 7a_100011217855_100011215271 [0,2,0,0,0,0|2,0,0]=4 8447 B15R0.408 CCCC(C)CCOCCNC(=O)OCC 7a_100011217855_200011445536 [0,2,0,0,0,0|2,0,0]=4 8448 B15R0.408 CCCC(C)COCCCCC(=O)OCC 34a_100000688023_100000750268 [0,2,0,0,0,0|2,0,0]=4 8449 B15R0.408 CCCC(C)COCCCCC(=O)OCC 7a_100000688023_100000750268 [0,2,0,0,0,0|2,0,0]=4 8450 B15R0.408 CCCC(C)COCCOCC(=O)OCC 34a_100000688023_100000088970 [0,2,0,0,0,0|2,0,0]=4 8451 B15R0.408 CCCC(C)COCCOCC(=O)OCC 7a_100000688023_100000088970 [0,2,0,0,0,0|2,0,0]=4 8452 B15R0.408 CCCC(C)CSCCCCC(=O)OCC 62a_100000750268_100011216630 [0,2,0,0,0,0|2,0,0]=4 8453 B15R0.408 CCCC(C)CSCCCCC(=O)OCC 62a_100011216630_100000750268 [0,2,0,0,0,0|2,0,0]=4 8454 B15R0.408 CCCC(C)CSCCOCC(=O)OCC 62a_100000088970_100011216630 [0,2,0,0,0,0|2,0,0]=4 8455 B15R0.408 CCCC(C)CSCCOCC(=O)OCC 62a_100011216630_100000088970 [0,2,0,0,0,0|2,0,0]=4 8456 B15R0.408 CCCC(C)NCCCCCC(=O)OCC 2230a_100000741246_100000755133 [0,2,0,0,0,0|2,0,0]=4 8457 B15R0.408 CCCC(C)NCCCOCC(=O)OCC 2230a_100000741246_100009893628 [0,2,0,0,0,0|2,0,0]=4 8458 B15R0.408 CCCC(C)OCCCCCC(=O)OCC 34a_100000764384_100000755133 [0,2,0,0,0,0|2,0,0]=4 8459 B15R0.408 CCCC(C)OCCCCCC(=O)OCC 7a_100000764384_100000755133 [0,2,0,0,0,0|2,0,0]=4 8460 B15R0.408 CCCC(C)OCCCCCC(=O)OCC 7a_100011214988_100000766640 [0,2,0,0,0,0|2,0,0]=4 8461 B15R0.408 CCCC(C)OCCCOCC(=O)OCC 34a_100000764384_100009893628 [0,2,0,0,0,0|2,0,0]=4 8462 B15R0.408 CCCC(C)OCCCOCC(=O)OCC 7a_100000764384_100009893628 [0,2,0,0,0,0|2,0,0]=4 8463 B15R0.408 CCCC(C)SCCCCCC(=O)OCC 62a_100000755133_100000766640 [0,2,0,0,0,0|2,0,0]=4 8464 B15R0.408 CCCC(C)SCCCCCC(=O)OCC 62a_100000766640_100000755133 [0,2,0,0,0,0|2,0,0]=4 8465 B15R0.408 CCCC(C)SCCCOCC(=O)OCC 62a_100000766640_100009893628 [0,2,0,0,0,0|2,0,0]=4 8466 B15R0.408 CCCC(C)SCCCOCC(=O)OCC 62a_100009893628_100000766640 [0,2,0,0,0,0|2,0,0]=4 8467 B15R0.408 CCCN(C)CCCCCCC(=O)OCC 2230a_100000747261_100009814379 [0,2,0,0,0,0|2,0,0]=4 8468 B15R0.408 CCCN(C)CCCCCCC(=O)OCC 269982a_100000747261_100009814379 [0,2,0,0,0,0|2,0,0]=4 8469 B15R0.408 CCC[C@H](N)CCOCCCC(=O)OCC 34a_100015193777_100009991533 [0,2,0,0,0,0|2,0,0]=4 8470 B15R0.408 CCC[C@H](N)COCCCCC(=O)OCC 34a_100000732646_100000750268 [0,2,0,0,0,0|2,0,0]=4 8471 B15R0.408 CCC[C@H](N)COCCOCC(=O)OCC 34a_100000732646_100000088970 [0,2,0,0,0,0|2,0,0]=4 8472 B15R0.1661 CCCC(CC)OCCCCCC(C)CC 7a_200000035636_100011219200 [0,2,0,0,0,0|1,0,1]=4 8473 B15R0.2847 CCCC(=O)NCCCCCN(CC)CC 1626a_100011491781_100000211992 [0,2,0,0,0,0|2,0,0]=4 8474 B15R0.2847 CCCC(=O)NCCCCCN(CC)CC 240690a_100011491781_100000211992 [0,2,0,0,0,0|2,0,0]=4 8475 B15R0.2847 CCCC(=O)OCSCCCC(OC)OC 62a_100000069011_100000034017 [0,2,0,0,0,0|2,0,0]=4 8476 B15R0.2951 CCCC(=O)OCNCCCC(C)(C)CO 2230a_100000039164_100000034017 [0,2,0,0,0,0|2,0,0]=4 8477 B15R0.67 C=C(C)CC(=O)CC(O)CCCCCCC 1458a_200011667753_100000748629 [0,2,0,0,0,0|1,0,1]=4 8478 B15R0.67 CCCCCCCC(C)OC(C)CC(C)C 34a_100000211805_200011218727 [0,2,0,0,0,0|1,0,1]=4 8479 B15R0.67 CCCCCCCC(C)OC(C)CC(C)C 34a_200011215852_100000731052 [0,2,0,0,0,0|1,0,1]=4 8480 B15R0.67 CCCCCCCC(C)OC(C)CC(C)C 7a_100000211805_200011218727 [0,2,0,0,0,0|1,0,1]=4 8481 B15R0.67 CCCCCCCC(C)OC(C)CC(C)C 7a_200011215852_100000731052 [0,2,0,0,0,0|1,0,1]=4 8482 B15R0.67 CCCCCCCC(O)CC(=O)CC(C)C 1458a_200011667753_100000210624 [0,2,0,0,0,0|1,0,0]=3 8483 B15R0.67 CCCCCCCC(O)CC(=O)CC(C)O 1458a_200011667753_100011218427 [0,2,0,0,0,0|1,0,0]=3 8484 B15R0.67 CCCCCCCC(O)CC(=O)CC(F)F 1458a_200011667753_100011934356 [0,2,0,0,0,0|2,0,0]=4 8485 B15R0.67 CCCCCCCC(O)CC(=O)NC(C)C 1626a_100138425928_200011667753 [0,2,0,0,0,0|2,0,0]=4 8486 B15R0.67 CCCCCCCC(O)CC(=O)NC(C)C 240690a_100138425928_200011667753 [0,2,0,0,0,0|2,0,0]=4 8487 B15R0.67 CCCCCCOC(C)OC(=O)OC(C)C 7a_100000210259_100000067433 [0,2,0,0,0,0|2,0,0]=4 8488 B15R0.67 CCCCCCSC(C)OC(=O)OC(C)C 62a_100000067433_100000210757 [0,2,0,0,0,0|2,0,0]=4 8489 B15R0.67 CCCCCCSC(C)OC(=O)OC(C)C 62a_100000210314_100000067433 [0,2,0,0,0,0|2,0,0]=4 8490 B15R0.138 C#CCCC(=O)CC(O)CCCCCCC 1458a_200011667753_100000753159 [0,2,0,0,0,0|1,0,1]=4 8491 B15R0.138 C/C=C/CC(=O)CC(O)CCCCCCC 1458a_200011667753_100102629194 [0,2,0,0,0,0|1,0,1]=4 8492 B15R0.138 C=CCCC(=O)CC(O)CCCCCCC 1458a_200011667753_100000754431 [0,2,0,0,0,0|1,0,1]=4 8493 B15R0.138 CC#CCC(=O)CC(O)CCCCCCC 1458a_200011667753_100000748600 [0,2,0,0,0,0|1,0,1]=4 8494 B15R0.138 CC=CCC(=O)CC(O)CCCCCCC 1458a_200011667753_100000070051 [0,2,0,0,0,0|1,0,1]=4 8495 B15R0.138 CCCCCCCC(=O)CC(=O)NCCC 1458a_100000211969_100000183358 [0,2,0,0,0,0|1,0,1]=4 8496 B15R0.138 CCCCCCCC(=O)CC(=O)OCCC 1458a_100000211969_200011215008 [0,2,0,0,0,0|1,0,1]=4 8497 B15R0.138 CCCCCCCC(C)OC(C)CCCC 34a_100000687866_200011218727 [0,2,0,0,0,0|1,0,1]=4 8498 B15R0.138 CCCCCCCC(C)OC(C)CCCC 34a_200011215852_200011215066 [0,2,0,0,0,0|1,0,1]=4 8499 B15R0.138 CCCCCCCC(C)OC(C)CCCC 7a_100000687866_200011218727 [0,2,0,0,0,0|1,0,1]=4 8500 B15R0.138 CCCCCCCC(C)OC(C)CCCC 7a_200011215852_200011215066 [0,2,0,0,0,0|1,0,1]=4 8501 B15R0.138 CCCCCCCC(C)OC(C)CCCCl 34a_200000718107_200011218727 [0,2,0,0,0,0|1,0,1]=4 8502 B15R0.138 CCCCCCCC(C)OC(C)CCCCl 7a_200000718107_200011218727 [0,2,0,0,0,0|1,0,1]=4 8503 B15R0.138 CCCCCCCC(C)OC(C)COCC 34a_100000718985_200011218727 [0,2,0,0,0,0|1,0,1]=4 8504 B15R0.138 CCCCCCCC(C)OC(C)COCC 7a_100000718985_200011218727 [0,2,0,0,0,0|1,0,1]=4 8505 B15R0.138 CCCCCCCC(O)CC(=O)CCC#N 1458a_200011667753_100011215226 [0,2,0,0,0,0|1,0,1]=4 8506 B15R0.138 CCCCCCCC(O)CC(=O)CCCC 1458a_200011667753_100000210211 [0,2,0,0,0,0|1,0,0]=3 8507 B15R0.138 CCCCCCCC(O)CC(=O)CCCF 1458a_200011667753_100011934791 [0,2,0,0,0,0|1,0,0]=3 8508 B15R0.138 CCCCCCCC(O)CC(=O)CCCO 1458a_200011667753_100011215043 [0,2,0,0,0,0|1,0,0]=3 8509 B15R0.138 CCCCCCCC(O)CC(=O)CCOC 1458a_200011667753_100000233755 [0,2,0,0,0,0|1,0,0]=3 8510 B15R0.138 CCCCCCCC(O)CC(=O)CCSC 1458a_200011667753_100000751147 [0,2,0,0,0,0|1,0,0]=3 8511 B15R0.138 CCCCCCCC(O)CC(=O)NCCC 1626a_100020643023_200011667753 [0,2,0,0,0,0|1,0,0]=3 8512 B15R0.138 CCCCCCCC(O)CC(=O)NCCC 240690a_100020643023_200011667753 [0,2,0,0,0,0|1,0,0]=3 8513 B15R0.138 CCCCCCCC(O)CC(=O)NCCF 1626a_100000724931_200011667753 [0,2,0,0,0,0|2,0,0]=4 8514 B15R0.138 CCCCCCCC(O)CC(=O)NCCF 240690a_100000724931_200011667753 [0,2,0,0,0,0|2,0,0]=4 8515 B15R0.138 CCCCCCCC(O)CC(=O)NCCO 240690a_100000210304_200011667753 [0,2,0,0,0,0|2,0,0]=4 8516 B15R0.138 CCCCCCCC(O)CC(=O)NNCC 22a_100000756455_200011667753 [0,2,0,0,0,0|2,0,0]=4 8517 B15R0.138 CCCCCCCN(C)CC(=O)NCCC 2230a_100000228206_100000183358 [0,2,0,0,0,0|2,0,0]=4 8518 B15R0.138 CCCCCCCN(C)CC(=O)NCCC 2230a_100000684209_100000210681 [0,2,0,0,0,0|2,0,0]=4 8519 B15R0.138 CCCCCCCN(C)CC(=O)NCCC 269982a_100000228206_100000183358 [0,2,0,0,0,0|2,0,0]=4 8520 B15R0.138 CCCCCCCN(C)CC(=O)NCCC 269982a_100000684209_100000210681 [0,2,0,0,0,0|2,0,0]=4 8521 B15R0.138 CCCCCCCN(C)CC(=O)OCCC 2230a_100000228206_200011215008 [0,2,0,0,0,0|2,0,0]=4 8522 B15R0.138 CCCCCCCN(C)CC(=O)OCCC 269982a_100000228206_200011215008 [0,2,0,0,0,0|2,0,0]=4 8523 B15R0.211 CCCCC(C)CCC(=O)CC(=O)CCC 1458a_100000033779_100000747444 [0,2,0,0,0,0|1,0,1]=4 8524 B15R0.235 CCCCCC(C)SC(C)OC(=O)OCC 62a_100000036008_200011218191 [0,2,0,0,0,0|2,0,0]=4 8525 B15R0.235 CCCCCC(C)SC(C)OC(=O)OCC 62a_200011218191_100000036008 [0,2,0,0,0,0|2,0,0]=4 8526 B15R0.370 C=C(CCC)CC(=O)CCCCCCCC 1458a_100000138376_100000210759 [0,2,0,0,0,0|2,0,0]=4 8527 B15R0.370 CCCC(=O)CC(=O)CCCCCCCO 1458a_100011219782_100000747444 [0,2,0,0,0,0|1,0,1]=4 8528 B15R0.370 CCCCCCCCC(=O)C=C(C)CCC 1458a_100020676950_100000210759 [0,2,0,0,0,0|2,0,0]=4 8529 B15R0.370 CCCCCCCCC(=O)CC(=O)CCC 1458a_100000210188_100000747444 [0,2,0,0,0,0|1,0,0]=3 8530 B15R0.370 CCCCCCCCC(=O)CC(=O)NCC 1458a_100000210188_100000183381 [0,2,0,0,0,0|2,0,0]=4 8531 B15R0.370 CCCCCCCCC(=O)CC(=O)OCC 1458a_100000210188_100000188475 [0,2,0,0,0,0|2,0,0]=4 8532 B15R0.370 CCCCCCCCC(=O)CC(=O)OCC 1458a_100000243816_100000210759 [0,2,0,0,0,0|2,0,0]=4 8533 B15R0.370 CCCCCCCCC(=O)CS(=O)CCC 1458a_100011387404_100000210759 [0,2,0,0,0,0|2,0,0]=4 8534 B15R0.370 CCCCCCCCC(C)OC(C)CCC 34a_100000210740_100000766640 [0,2,0,0,0,0|1,0,1]=4 8535 B15R0.370 CCCCCCCCC(C)OC(C)CCC 7a_100000210740_100000766640 [0,2,0,0,0,0|1,0,1]=4 8536 B15R0.370 CCCCCCCCN(C)CC(=O)CCC 2230a_100000207567_100000747444 [0,2,0,0,0,0|1,0,0]=3 8537 B15R0.370 CCCCCCCCN(C)CC(=O)CCC 269982a_100000207567_100000747444 [0,2,0,0,0,0|1,0,0]=3 8538 B15R0.370 CCCCCCCCN(C)CC(=O)NCC 2230a_100000207567_100000183381 [0,2,0,0,0,0|2,0,0]=4 8539 B15R0.370 CCCCCCCCN(C)CC(=O)NCC 2230a_100000741943_100000210759 [0,2,0,0,0,0|2,0,0]=4 8540 B15R0.370 CCCCCCCCN(C)CC(=O)NCC 269982a_100000207567_100000183381 [0,2,0,0,0,0|2,0,0]=4 8541 B15R0.370 CCCCCCCCN(C)CC(=O)NCC 269982a_100000741943_100000210759 [0,2,0,0,0,0|2,0,0]=4 8542 B15R0.370 CCCCCCCCN(C)CC(=O)OCC 2230a_100000207567_100000188475 [0,2,0,0,0,0|2,0,0]=4 8543 B15R0.370 CCCCCCCCN(C)CC(=O)OCC 2230a_100000220588_100000210759 [0,2,0,0,0,0|2,0,0]=4 8544 B15R0.370 CCCCCCCCN(C)CC(=O)OCC 269982a_100000207567_100000188475 [0,2,0,0,0,0|2,0,0]=4 8545 B15R0.370 CCCCCCCNC(C)CC(=O)OCC 2230a_100000229938_100009817359 [0,2,0,0,0,0|2,0,0]=4 8546 B15R0.370 CCCCCCCOC(C)CC(=O)OCC 7a_100000210272_100009817359 [0,2,0,0,0,0|2,0,0]=4 8547 B15R0.370 CCCCCCCO[C@H](C)CC(=O)OCC 7a_100009816390_100000210614 [0,2,0,0,0,0|2,0,0]=4 8548 B15R0.370 CCCCCCCSC(C)CC(=O)OCC 62a_100000210614_100009817359 [0,2,0,0,0,0|2,0,0]=4 8549 B15R0.370 CCCCCCCSC(C)CC(=O)OCC 62a_100009817359_100000210316 [0,2,0,0,0,0|2,0,0]=4 8550 B15R0.370 CCCCCCCSC(C)OC(=O)OCC 62a_100000036008_100000210316 [0,2,0,0,0,0|1,0,0]=3 8551 B15R0.370 CCCCCCCSC(C)OC(=O)OCC 62a_100000210614_100000036008 [0,2,0,0,0,0|1,0,0]=3 8552 B15R0.370 CCCCCCOC[C@@H](O)CC(=O)OCC 34a_100000210259_100000688340 [0,2,0,0,0,0|2,0,0]=4 8553 B15R0.370 CCCCCCOC[C@@H](O)CC(=O)OCC 7a_100000210259_100000688340 [0,2,0,0,0,0|2,0,0]=4 8554 B15R0.370 CCCCCCSC[C@@H](O)CC(=O)OCC 62a_100000210314_100000688340 [0,2,0,0,0,0|2,0,0]=4 8555 B15R0.370 CCCCCCSC[C@@H](O)CC(=O)OCC 62a_100000688340_100000210757 [0,2,0,0,0,0|2,0,0]=4 8556 B15R0.370 CCCCOCCSC(C)OC(=O)OCC 62a_100000036008_100000743108 [0,2,0,0,0,0|2,0,0]=4 8557 B15R0.370 CCCCOCCSC(C)OC(=O)OCC 62a_100000743108_100000036008 [0,2,0,0,0,0|2,0,0]=4 8558 B15R0.370 CCOC(=O)OC(C)SCCCCCCF 62a_100000036008_100015922095 [0,2,0,0,0,0|2,0,0]=4 8559 B15R0.370 CCOC(=O)OC(C)SCCCCCCF 62a_100015922095_100000036008 [0,2,0,0,0,0|2,0,0]=4 8560 B15R0.370 CCOC(=O)OC(C)SCCCCCCO 62a_100000036008_100000766143 [0,2,0,0,0,0|2,0,0]=4 8561 B15R0.370 CCOC(=O)OC(C)SCCCCCCO 62a_100000766143_100000036008 [0,2,0,0,0,0|2,0,0]=4 8562 B15R0.399 CCCC(=O)CC(=O)CCCCCC(C)C 1458a_100000766313_100000747444 [0,2,0,0,0,0|1,0,1]=4 8563 B15R0.399 CCOC(=O)OC(C)SCCCCC(C)C 62a_100000036008_100011216152 [0,2,0,0,0,0|2,0,0]=4 8564 B15R0.399 CCOC(=O)OC(C)SCCCCC(C)C 62a_100011216152_100000036008 [0,2,0,0,0,0|2,0,0]=4 8565 B15R0.1921 CCCCCCC(=O)C(C)NC(=O)CCC 1458a_100000205598_100000210757 [0,2,0,0,0,0|1,0,1]=4 8566 B15R0.1921 CCCCCCC(O)C(=O)CC(=O)CCC 1458a_100011215828_100000747444 [0,2,0,0,0,0|1,0,1]=4 8567 B15R0.1921 CCCCCCN(C)C(C)OC(=O)OCC 269982a_106256046315_100000036008 [0,2,0,0,0,0|2,0,0]=4 8568 B15R0.2242 C=CC(CCCCCCC)OC(C)CCC 34a_200011934235_100000766640 [0,2,0,0,0,0|1,0,1]=4 8569 B15R0.2242 C=CC(CCCCCCC)OC(C)CCC 7a_200011934235_100000766640 [0,2,0,0,0,0|1,0,1]=4 8570 B15R0.2242 CCCCCCCC(CC)OC(C)CCC 34a_200011217053_100000766640 [0,2,0,0,0,0|1,0,1]=4 8571 B15R0.2242 CCCCCCCC(CC)OC(C)CCC 7a_200011217053_100000766640 [0,2,0,0,0,0|1,0,1]=4 8572 B15R0.2242 CCCCCCCN(CC)CC(=O)CCC 2230a_100000228213_100000747444 [0,2,0,0,0,0|2,0,0]=4 8573 B15R0.2242 CCCCCCCN(CC)CC(=O)CCC 269982a_100000228213_100000747444 [0,2,0,0,0,0|2,0,0]=4 8574 B15R0.4374 CCCCCCCC(C)C(=O)C(=O)NCC 1458a_200011297158_200011218727 [0,2,0,0,0,0|2,0,0]=4 8575 B15R0.4380 C#CC(CCC)OC(C)CCCCCCC 34a_200011217317_200011218727 [0,2,0,0,0,0|1,0,1]=4 8576 B15R0.4380 C#CC(CCC)OC(C)CCCCCCC 7a_200011217317_200011218727 [0,2,0,0,0,0|1,0,1]=4 8577 B15R0.4380 C=CC(CCC)OC(C)CCCCCCC 34a_100011216692_200011218727 [0,2,0,0,0,0|1,0,1]=4 8578 B15R0.4380 C=CC(CCC)OC(C)CCCCCCC 7a_100011216692_200011218727 [0,2,0,0,0,0|1,0,1]=4 8579 B15R0.4380 CCCCCCCC(C)OC(C#N)CCC 34a_100000686963_200011218727 [0,2,0,0,0,0|1,0,1]=4 8580 B15R0.4380 CCCCCCCC(C)OC(C#N)CCC 7a_100000686963_200011218727 [0,2,0,0,0,0|1,0,1]=4 8581 B15R0.4380 CCCCCCCC(C)OC(CC)CCC 34a_100000687864_200011218727 [0,2,0,0,0,0|1,0,1]=4 8582 B15R0.4380 CCCCCCCC(C)OC(CC)CCC 7a_100000687864_200011218727 [0,2,0,0,0,0|1,0,1]=4 8583 B15R0.4380 CCCCCCCC(C)OC(CC)CCC 7a_200011215852_100011219200 [0,2,0,0,0,0|1,0,1]=4 8584 B15R0.4384 CCCCCCCC(C)OC(C)C(C)CC 7a_100011215189_200011218727 [0,2,0,0,0,0|1,0,1]=4 8585 B15R0.4384 CCCCCCCC(O)CC(=O)C(C)CC 1458a_200011667753_100000758301 [0,2,0,0,0,0|1,0,0]=3 8586 B15R0.4384 CCCCCCCC(O)CC(=O)N(C)CC 1626a_100000225621_200011667753 [0,2,0,0,0,0|2,0,0]=4 8587 B15R0.4384 CCCCCCCC(O)CC(=O)N(C)CC 240690a_100000225621_200011667753 [0,2,0,0,0,0|2,0,0]=4 8588 B15R0.4416 CCCCCCCC(C)(C)OC(C)CCC 34a_100000764384_200000046972 [0,2,0,0,0,0|1,0,1]=4 8589 B15R0.4416 CCCCCCCC(C)(C)OC(C)CCC 7a_100000764384_200000046972 [0,2,0,0,0,0|1,0,1]=4 8590 B15R0.4779 CCCCCCCC(C)OC(C)(C)CCC 7a_100000748436_200011218727 [0,2,0,0,0,0|1,0,1]=4 8591 B15R0.1677 CCCCCCCCC(O)C(=O)C(C)CC 1458a_200011995895_100000758301 [0,2,0,0,0,0|1,0,0]=3 8592 B15R0.1677 CCCCCCCCC(O)C(=O)N(C)CC 240690a_100000225621_200011995895 [0,2,0,0,0,0|2,0,0]=4 8593 B15R0.1677 CCCCCCCCN(C)C(=O)C(C)CC 11a_100000207567_100011192722 [0,2,0,0,0,0|1,0,0]=3 8594 B15R0.1677 CCCCCCCCN(C)C(=O)C(C)CC 1626a_100000207567_100011192722 [0,2,0,0,0,0|1,0,0]=3 8595 B15R0.1677 CCCCCCCCN(C)C(=O)C(C)CC 240690a_100000207567_100011192722 [0,2,0,0,0,0|1,0,0]=3 8596 B15R0.1677 CCCCCCCCN(C)C(=O)C(C)CC 527a_100000207567_100011192722 [0,2,0,0,0,0|1,0,0]=3 8597 B15R0.1677 CCCCCCCCN(C)C(=O)C(C)OC 11a_100000207567_100000743197 [0,2,0,0,0,0|2,0,0]=4 8598 B15R0.1677 CCCCCCCCN(C)C(=O)C(C)OC 1626a_100000207567_100000743197 [0,2,0,0,0,0|2,0,0]=4 8599 B15R0.1677 CCCCCCCCN(C)C(=O)C(C)OC 240690a_100000207567_100000743197 [0,2,0,0,0,0|2,0,0]=4 8600 B15R0.1677 CCCCCCCCN(C)C(=O)C(C)OC 527a_100000207567_100000743197 [0,2,0,0,0,0|2,0,0]=4 8601 B15R0.1677 CCCCCCCCN(C)C(=O)C(C)SC 11a_100000207567_100000149566 [0,2,0,0,0,0|2,0,0]=4 8602 B15R0.1677 CCCCCCCCN(C)C(=O)C(C)SC 1626a_100000207567_100000149566 [0,2,0,0,0,0|2,0,0]=4 8603 B15R0.1677 CCCCCCCCN(C)C(=O)C(C)SC 240690a_100000207567_100000149566 [0,2,0,0,0,0|2,0,0]=4 8604 B15R0.1677 CCCCCCCCN(C)C(=O)C(C)SC 527a_100000207567_100000149566 [0,2,0,0,0,0|2,0,0]=4 8605 B15R0.1677 CCCCCCCCN(C)C(=O)C(O)CC 240690a_100000207567_100011196387 [0,2,0,0,0,0|1,0,0]=3 8606 B15R0.1677 CCCCCCCCN(C)C(=O)C(O)CO 240690a_100000207567_100011215603 [0,2,0,0,0,0|2,0,0]=4 8607 B15R0.2406 C#CCCC(=O)C(O)CCCCCCCC 1458a_200011995895_100000753159 [0,2,0,0,0,0|1,0,1]=4 8608 B15R0.2406 C#CCCC(=O)N(C)CCCCCCCC 11a_100000207567_100000692101 [0,2,0,0,0,0|1,0,1]=4 8609 B15R0.2406 C#CCCC(=O)N(C)CCCCCCCC 1626a_100000207567_100000692101 [0,2,0,0,0,0|1,0,1]=4 8610 B15R0.2406 C#CCCC(=O)N(C)CCCCCCCC 240690a_100000207567_100000692101 [0,2,0,0,0,0|1,0,1]=4 8611 B15R0.2406 C#CCCC(=O)N(C)CCCCCCCC 527a_100000207567_100000692101 [0,2,0,0,0,0|1,0,1]=4 8612 B15R0.2406 C/C=C/CC(=O)C(O)CCCCCCCC 1458a_200011995895_100102629194 [0,2,0,0,0,0|1,0,1]=4 8613 B15R0.2406 C=CCCC(=O)C(O)CCCCCCCC 1458a_200011995895_100000754431 [0,2,0,0,0,0|1,0,1]=4 8614 B15R0.2406 C=CCCC(=O)N(C)CCCCCCCC 11a_100000207567_100000749702 [0,2,0,0,0,0|1,0,1]=4 8615 B15R0.2406 C=CCCC(=O)N(C)CCCCCCCC 1626a_100000207567_100000749702 [0,2,0,0,0,0|1,0,1]=4 8616 B15R0.2406 C=CCCC(=O)N(C)CCCCCCCC 240690a_100000207567_100000749702 [0,2,0,0,0,0|1,0,1]=4 8617 B15R0.2406 C=CCCC(=O)N(C)CCCCCCCC 527a_100000207567_100000749702 [0,2,0,0,0,0|1,0,1]=4 8618 B15R0.2406 CC#CCC(=O)C(O)CCCCCCCC 1458a_200011995895_100000748600 [0,2,0,0,0,0|1,0,1]=4 8619 B15R0.2406 CC=CCC(=O)C(O)CCCCCCCC 1458a_200011995895_100000070051 [0,2,0,0,0,0|1,0,1]=4 8620 B15R0.2406 CC=CCC(=O)N(C)CCCCCCCC 11a_100000207567_100121576822 [0,2,0,0,0,0|1,0,1]=4 8621 B15R0.2406 CC=CCC(=O)N(C)CCCCCCCC 1626a_100000207567_100121576822 [0,2,0,0,0,0|1,0,1]=4 8622 B15R0.2406 CC=CCC(=O)N(C)CCCCCCCC 240690a_100000207567_100121576822 [0,2,0,0,0,0|1,0,1]=4 8623 B15R0.2406 CC=CCC(=O)N(C)CCCCCCCC 527a_100000207567_100121576822 [0,2,0,0,0,0|1,0,1]=4 8624 B15R0.2406 CCC/C=C(\C)/C(=O)CCCCCCCC 1458a_200020648666_100000210759 [0,2,0,0,0,0|2,0,0]=4 8625 B15R0.2406 CCC=CC(=O)N(C)CCCCCCCC 11a_100000207567_100000212282 [0,2,0,0,0,0|1,0,1]=4 8626 B15R0.2406 CCC=CC(=O)N(C)CCCCCCCC 1626a_100000207567_100000212282 [0,2,0,0,0,0|1,0,1]=4 8627 B15R0.2406 CCC=CC(=O)N(C)CCCCCCCC 240690a_100000207567_100000212282 [0,2,0,0,0,0|1,0,1]=4 8628 B15R0.2406 CCCCCCCCC(=O)C(=O)NCCC 1458a_200011297150_100000210759 [0,2,0,0,0,0|1,0,0]=3 8629 B15R0.2406 CCCCCCCCC(O)C(=O)CCC#N 1458a_200011995895_100011215226 [0,2,0,0,0,0|1,0,1]=4 8630 B15R0.2406 CCCCCCCCC(O)C(=O)CCCC 1458a_200011995895_100000210211 [0,2,0,0,0,0|1,0,0]=3 8631 B15R0.2406 CCCCCCCCC(O)C(=O)CCCF 1458a_200011995895_100011934791 [0,2,0,0,0,0|1,0,0]=3 8632 B15R0.2406 CCCCCCCCC(O)C(=O)CCCO 1458a_200011995895_100011215043 [0,2,0,0,0,0|1,0,0]=3 8633 B15R0.2406 CCCCCCCCC(O)C(=O)CCOC 1458a_200011995895_100000233755 [0,2,0,0,0,0|1,0,0]=3 8634 B15R0.2406 CCCCCCCCC(O)C(=O)CCSC 1458a_200011995895_100000751147 [0,2,0,0,0,0|1,0,0]=3 8635 B15R0.2406 CCCCCCCCC(O)C(=O)NCCC 240690a_100020643023_200011995895 [0,2,0,0,0,0|1,0,0]=3 8636 B15R0.2406 CCCCCCCCC(O)C(=O)NCCF 240690a_100000724931_200011995895 [0,2,0,0,0,0|2,0,0]=4 8637 B15R0.2406 CCCCCCCCC(O)C(=O)NCCO 240690a_100000210304_200011995895 [0,2,0,0,0,0|2,0,0]=4 8638 B15R0.2406 CCCCCCCCC(O)C(=O)NNCC 22a_100000756455_200011995895 [0,2,0,0,0,0|2,0,0]=4 8639 B15R0.2406 CCCCCCCCN(C)C(=O)CCC#N 11a_100000207567_100011934036 [0,2,0,0,0,0|1,0,1]=4 8640 B15R0.2406 CCCCCCCCN(C)C(=O)CCC#N 1626a_100000207567_100011934036 [0,2,0,0,0,0|1,0,1]=4 8641 B15R0.2406 CCCCCCCCN(C)C(=O)CCC#N 240690a_100000207567_100011934036 [0,2,0,0,0,0|1,0,1]=4 8642 B15R0.2406 CCCCCCCCN(C)C(=O)CCC#N 527a_100000207567_100011934036 [0,2,0,0,0,0|1,0,1]=4 8643 B15R0.2406 CCCCCCCCN(C)C(=O)CCCC 11a_100000207567_100000210183 [0,2,0,0,0,0|1,0,0]=3 8644 B15R0.2406 CCCCCCCCN(C)C(=O)CCCC 1626a_100000207567_100000210183 [0,2,0,0,0,0|1,0,0]=3 8645 B15R0.2406 CCCCCCCCN(C)C(=O)CCCC 240690a_100000207567_100000210183 [0,2,0,0,0,0|1,0,0]=3 8646 B15R0.2406 CCCCCCCCN(C)C(=O)CCCC 527a_100000207567_100000210183 [0,2,0,0,0,0|1,0,0]=3 8647 B15R0.2406 CCCCCCCCN(C)C(=O)CCOC 11a_100000207567_100000749529 [0,2,0,0,0,0|1,0,0]=3 8648 B15R0.2406 CCCCCCCCN(C)C(=O)CCOC 1626a_100000207567_100000749529 [0,2,0,0,0,0|1,0,0]=3 8649 B15R0.2406 CCCCCCCCN(C)C(=O)CCOC 240690a_100000207567_100000749529 [0,2,0,0,0,0|1,0,0]=3 8650 B15R0.2406 CCCCCCCCN(C)C(=O)CCOC 527a_100000207567_100000749529 [0,2,0,0,0,0|1,0,0]=3 8651 B15R0.2406 CCCCCCCCN(C)C(=O)CCSC 11a_100000207567_100000174002 [0,2,0,0,0,0|1,0,0]=3 8652 B15R0.2406 CCCCCCCCN(C)C(=O)CCSC 1626a_100000207567_100000174002 [0,2,0,0,0,0|1,0,0]=3 8653 B15R0.2406 CCCCCCCCN(C)C(=O)CCSC 240690a_100000207567_100000174002 [0,2,0,0,0,0|1,0,0]=3 8654 B15R0.2406 CCCCCCCCN(C)C(=O)CCSC 527a_100000207567_100000174002 [0,2,0,0,0,0|1,0,0]=3 8655 B15R0.2406 CCCCCCCCN(C)C(=O)COCC 11a_100000207567_100000211967 [0,2,0,0,0,0|1,0,0]=3 8656 B15R0.2406 CCCCCCCCN(C)C(=O)COCC 1626a_100000207567_100000211967 [0,2,0,0,0,0|1,0,0]=3 8657 B15R0.2406 CCCCCCCCN(C)C(=O)COCC 240690a_100000207567_100000211967 [0,2,0,0,0,0|1,0,0]=3 8658 B15R0.2406 CCCCCCCCN(C)C(=O)COCC 527a_100000207567_100000211967 [0,2,0,0,0,0|1,0,0]=3 8659 B15R0.2406 CCCCCCCCN(C)C(=O)CSCC 11a_100000207567_100000230394 [0,2,0,0,0,0|1,0,0]=3 8660 B15R0.2406 CCCCCCCCN(C)C(=O)CSCC 1626a_100000207567_100000230394 [0,2,0,0,0,0|1,0,0]=3 8661 B15R0.2406 CCCCCCCCN(C)C(=O)CSCC 240690a_100000207567_100000230394 [0,2,0,0,0,0|1,0,0]=3 8662 B15R0.2406 CCCCCCCCN(C)C(=O)CSCC 527a_100000207567_100000230394 [0,2,0,0,0,0|1,0,0]=3 8663 B15R0.2406 CCCCCCCCN(C)C(=O)NCCC 2708a_100020643023_100000207567 [0,2,0,0,0,0|1,0,0]=3 8664 B15R0.2406 CCCCCCCCN(C)C(=O)NCCC 273464a_100020643023_100000207567 [0,2,0,0,0,0|1,0,0]=3 8665 B15R0.2406 CCCCCCCCN(C)C(=O)NCCF 273464a_100000724931_100000207567 [0,2,0,0,0,0|2,0,0]=4 8666 B15R0.2406 CCCCCCCCN(C)C(=O)NCCO 273464a_100000210304_100000207567 [0,2,0,0,0,0|2,0,0]=4 8667 B15R0.2406 CCCCCCCNC(=O)C(=O)NCCC 1626a_100000229938_200011297150 [0,2,0,0,0,0|2,0,0]=4 8668 B15R0.2406 CCCCCCCNC(=O)C(=O)NCCC 240690a_100000229938_200011297150 [0,2,0,0,0,0|2,0,0]=4 8669 B15R0.2406 CCCCCCCNC(=O)C(=O)NCCC 527a_100000229938_200011297150 [0,2,0,0,0,0|2,0,0]=4 8670 B15R0.2406 CCCCCCCNC(C)C(=O)NCCC 2230a_100000229938_100000230305 [0,2,0,0,0,0|2,0,0]=4 8671 B15R0.2406 CCCCCCCNC(C)C(=O)NCCC 2230a_100025744714_100000210681 [0,2,0,0,0,0|2,0,0]=4 8672 B15R0.2406 CCCCCCCNC(C)C(=O)NCCC 34a_100025744714_100000210614 [0,2,0,0,0,0|2,0,0]=4 8673 B15R0.2406 CCCCCCCNC(C)C(=O)OCCC 2230a_100000229938_100000760410 [0,2,0,0,0,0|2,0,0]=4 8674 B15R0.2406 CCCCCCCOC(C)C(=O)NCCC 34a_100000210272_100000230305 [0,2,0,0,0,0|2,0,0]=4 8675 B15R0.2406 CCCCCCCOC(C)C(=O)NCCC 7a_100000210272_100000230305 [0,2,0,0,0,0|2,0,0]=4 8676 B15R0.2406 CCCCCCCOC(C)C(=O)OCCC 34a_100000037348_100000210614 [0,2,0,0,0,0|2,0,0]=4 8677 B15R0.2406 CCCCCCCOC(C)C(=O)OCCC 34a_100000210272_100000760410 [0,2,0,0,0,0|2,0,0]=4 8678 B15R0.2406 CCCCCCCOC(C)C(=O)OCCC 7a_100000037348_100000210614 [0,2,0,0,0,0|2,0,0]=4 8679 B15R0.2406 CCCCCCCOC(C)C(=O)OCCC 7a_100000210272_100000760410 [0,2,0,0,0,0|2,0,0]=4 8680 B15R0.2406 CCCCCCCSC(C)C(=O)NCCC 62a_100000210614_100000230305 [0,2,0,0,0,0|2,0,0]=4 8681 B15R0.2406 CCCCCCCSC(C)C(=O)NCCC 62a_100000230305_100000210316 [0,2,0,0,0,0|2,0,0]=4 8682 B15R0.2406 CCCCCCCSC(C)C(=O)OCCC 62a_100000210614_100000760410 [0,2,0,0,0,0|2,0,0]=4 8683 B15R0.2406 CCCCCCCSC(C)C(=O)OCCC 62a_100000760410_100000210316 [0,2,0,0,0,0|2,0,0]=4 8684 B15R0.2406 CCCNC(=O)C(=O)CCCCCCCO 1458a_200011297150_100000760002 [0,2,0,0,0,0|2,0,0]=4 8685 B15R0.2406 CCCNC(=O)C(=O)CCCCCCOC 1458a_200011297150_100011998445 [0,2,0,0,0,0|2,0,0]=4 8686 B15R0.3222 C=C(COCCCCCCC)C(=O)OCC 34a_100000210272_100000755967 [0,2,0,0,0,0|2,0,0]=4 8687 B15R0.3222 C=C(COCCCCCCC)C(=O)OCC 7a_100000210272_100000755967 [0,2,0,0,0,0|2,0,0]=4 8688 B15R0.3222 C=C(CSCCCCCCC)C(=O)OCC 62a_100000210614_100000755967 [0,2,0,0,0,0|2,0,0]=4 8689 B15R0.3222 C=C(CSCCCCCCC)C(=O)OCC 62a_100000755967_100000210316 [0,2,0,0,0,0|2,0,0]=4 8690 B15R0.3222 C=CCC(C)C(=O)CCCCCCCCC 1458a_100011216819_100000210670 [0,2,0,0,0,0|1,0,1]=4 8691 B15R0.3222 C=CCC(C)C(=O)NCCCCCCCC 11a_100000229939_100011216819 [0,2,0,0,0,0|1,0,1]=4 8692 B15R0.3222 C=CCC(C)C(=O)NCCCCCCCC 1626a_100000229939_100011216819 [0,2,0,0,0,0|1,0,1]=4 8693 B15R0.3222 C=CCC(C)C(=O)NCCCCCCCC 240690a_100000229939_100011216819 [0,2,0,0,0,0|1,0,1]=4 8694 B15R0.3222 C=CCC(C)C(=O)NCCCCCCCC 527a_100000229939_100011216819 [0,2,0,0,0,0|1,0,1]=4 8695 B15R0.3222 CC/C=C(\C)/C(=O)CCCCCCCCC 1458a_100016988807_100000210670 [0,2,0,0,0,0|1,0,1]=4 8696 B15R0.3222 CC/C=C(\C)/C(=O)NCCCCCCCC 11a_100000229939_100016988807 [0,2,0,0,0,0|1,0,1]=4 8697 B15R0.3222 CC/C=C(\C)/C(=O)NCCCCCCCC 1626a_100000229939_100016988807 [0,2,0,0,0,0|1,0,1]=4 8698 B15R0.3222 CC/C=C(\C)/C(=O)NCCCCCCCC 240690a_100000229939_100016988807 [0,2,0,0,0,0|1,0,1]=4 8699 B15R0.3222 CC/C=C(\C)/C(=O)NCCCCCCCC 527a_100000229939_100016988807 [0,2,0,0,0,0|1,0,1]=4 8700 B15R0.3222 CCCC(C)C(=O)CCCCCCCCO 1458a_100000210906_100000033203 [0,2,0,0,0,0|2,0,0]=4 8701 B15R0.3222 CCCC(C)C(=O)NCCCCCCCO 240690a_100011996573_100000210906 [0,2,0,0,0,0|2,0,0]=4 8702 B15R0.3222 CCCCCCCC=CC(=O)C(C)CCC 1458a_200015332781_100000766640 [0,2,0,0,0,0|1,0,1]=4 8703 B15R0.3222 CCCCCCCC=CC(=O)C(C)CCO 1458a_200015332781_100009893172 [0,2,0,0,0,0|1,0,1]=4 8704 B15R0.3222 CCCCCCCC=CC(=O)C(C)COC 1458a_200015332781_100000765312 [0,2,0,0,0,0|1,0,1]=4 8705 B15R0.3222 CCCCCCCC=CC(=O)N(C)CCC 11a_100000747261_200015332781 [0,2,0,0,0,0|1,0,1]=4 8706 B15R0.3222 CCCCCCCC=CC(=O)N(C)CCC 1626a_100000747261_200015332781 [0,2,0,0,0,0|1,0,1]=4 8707 B15R0.3222 CCCCCCCC=CC(=O)N(C)CCC 240690a_100000747261_200015332781 [0,2,0,0,0,0|1,0,1]=4 8708 B15R0.3222 CCCCCCCCCC(=O)C(=O)NCC 1458a_200011297158_100000210670 [0,2,0,0,0,0|1,0,1]=4 8709 B15R0.3222 CCCCCCCCCC(=O)C(C)CC#N 1458a_100000210558_100009813641 [0,2,0,0,0,0|1,0,1]=4 8710 B15R0.3222 CCCCCCCCCC(=O)C(C)CCC 1458a_100000210558_100000766640 [0,2,0,0,0,0|1,0,0]=3 8711 B15R0.3222 CCCCCCCCCC(=O)C(C)CCC 1458a_100000210906_100000210670 [0,2,0,0,0,0|1,0,0]=3 8712 B15R0.3222 CCCCCCCCCC(=O)C(C)CCO 1458a_100000210558_100009893172 [0,2,0,0,0,0|1,0,0]=3 8713 B15R0.3222 CCCCCCCCCC(=O)C(C)COC 1458a_100000210558_100000765312 [0,2,0,0,0,0|1,0,0]=3 8714 B15R0.3222 CCCCCCCCCC(=O)C(C)COC 1458a_100000751857_100000210670 [0,2,0,0,0,0|1,0,0]=3 8715 B15R0.3222 CCCCCCCCCC(=O)C(C)CSC 1458a_100000753918_100000210670 [0,2,0,0,0,0|1,0,0]=3 8716 B15R0.3222 CCCCCCCCCC(=O)C(C)OCC 1458a_100000739345_100000210670 [0,2,0,0,0,0|1,0,0]=3 8717 B15R0.3222 CCCCCCCCCC(=O)C(C)SCC 1458a_100000230601_100000210670 [0,2,0,0,0,0|1,0,0]=3 8718 B15R0.3222 CCCCCCCCCC(=O)N(C)CCC 11a_100000747261_100000210558 [0,2,0,0,0,0|1,0,0]=3 8719 B15R0.3222 CCCCCCCCCC(=O)N(C)CCC 1626a_100000747261_100000210558 [0,2,0,0,0,0|1,0,0]=3 8720 B15R0.3222 CCCCCCCCCC(=O)N(C)CCC 240690a_100000747261_100000210558 [0,2,0,0,0,0|1,0,0]=3 8721 B15R0.3222 CCCCCCCCCC(=O)N(C)CCC 527a_100000747261_100000210558 [0,2,0,0,0,0|1,0,0]=3 8722 B15R0.3222 CCCCCCCCCC(=O)N(C)CCO 240690a_100000210263_100000210558 [0,2,0,0,0,0|2,0,0]=4 8723 B15R0.3222 CCCCCCCCCC(=O)N(C)CCO 527a_100000210263_100000210558 [0,2,0,0,0,0|2,0,0]=4 8724 B15R0.3222 CCCCCCCCCC(=O)[C@@H](O)CCC 1458a_100009822183_100000210670 [0,2,0,0,0,0|1,0,0]=3 8725 B15R0.3222 CCCCCCCCCN(C)C(=O)CCC 11a_100000232482_100000211992 [0,2,0,0,0,0|1,0,0]=3 8726 B15R0.3222 CCCCCCCCCN(C)C(=O)CCC 1626a_100000232482_100000211992 [0,2,0,0,0,0|1,0,0]=3 8727 B15R0.3222 CCCCCCCCCN(C)C(=O)CCC 240690a_100000232482_100000211992 [0,2,0,0,0,0|1,0,0]=3 8728 B15R0.3222 CCCCCCCCCN(C)C(=O)CCC 527a_100000232482_100000211992 [0,2,0,0,0,0|1,0,0]=3 8729 B15R0.3222 CCCCCCCCCN(C)C(=O)CCO 240690a_100000232482_100011216618 [0,2,0,0,0,0|2,0,0]=4 8730 B15R0.3222 CCCCCCCCCN(C)C(=O)COC 11a_100000232482_100000210968 [0,2,0,0,0,0|2,0,0]=4 8731 B15R0.3222 CCCCCCCCCN(C)C(=O)COC 1626a_100000232482_100000210968 [0,2,0,0,0,0|2,0,0]=4 8732 B15R0.3222 CCCCCCCCCN(C)C(=O)COC 240690a_100000232482_100000210968 [0,2,0,0,0,0|2,0,0]=4 8733 B15R0.3222 CCCCCCCCCN(C)C(=O)COC 527a_100000232482_100000210968 [0,2,0,0,0,0|2,0,0]=4 8734 B15R0.3222 CCCCCCCCCN(C)C(=O)CSC 11a_100000232482_100000184570 [0,2,0,0,0,0|2,0,0]=4 8735 B15R0.3222 CCCCCCCCCN(C)C(=O)CSC 1626a_100000232482_100000184570 [0,2,0,0,0,0|2,0,0]=4 8736 B15R0.3222 CCCCCCCCCN(C)C(=O)CSC 240690a_100000232482_100000184570 [0,2,0,0,0,0|2,0,0]=4 8737 B15R0.3222 CCCCCCCCCN(C)C(=O)CSC 527a_100000232482_100000184570 [0,2,0,0,0,0|2,0,0]=4 8738 B15R0.3222 CCCCCCCCCN(C)C(=O)NCC 2708a_100015525214_100000232482 [0,2,0,0,0,0|2,0,0]=4 8739 B15R0.3222 CCCCCCCCCN(C)C(=O)NCC 273464a_100015525214_100000232482 [0,2,0,0,0,0|2,0,0]=4 8740 B15R0.3222 CCCCCCCCNC(=O)C(=O)NCC 1626a_100000229939_200011297158 [0,2,0,0,0,0|1,0,1]=4 8741 B15R0.3222 CCCCCCCCNC(=O)C(=O)NCC 240690a_100000229939_200011297158 [0,2,0,0,0,0|1,0,1]=4 8742 B15R0.3222 CCCCCCCCNC(=O)C(=O)NCC 527a_100000229939_200011297158 [0,2,0,0,0,0|1,0,1]=4 8743 B15R0.3222 CCCCCCCCNC(=O)C(=O)OCC 11a_100000229939_100014798877 [0,2,0,0,0,0|1,0,1]=4 8744 B15R0.3222 CCCCCCCCNC(=O)C(=O)OCC 1626a_100000229939_100014798877 [0,2,0,0,0,0|1,0,1]=4 8745 B15R0.3222 CCCCCCCCNC(=O)C(=O)OCC 240690a_100000229939_100014798877 [0,2,0,0,0,0|1,0,1]=4 8746 B15R0.3222 CCCCCCCCNC(=O)C(C)CCC 11a_100000229939_100000210906 [0,2,0,0,0,0|1,0,0]=3 8747 B15R0.3222 CCCCCCCCNC(=O)C(C)CCC 1626a_100000229939_100000210906 [0,2,0,0,0,0|1,0,0]=3 8748 B15R0.3222 CCCCCCCCNC(=O)C(C)CCC 240690a_100000229939_100000210906 [0,2,0,0,0,0|1,0,0]=3 8749 B15R0.3222 CCCCCCCCNC(=O)C(C)CCC 527a_100000229939_100000210906 [0,2,0,0,0,0|1,0,0]=3 8750 B15R0.3222 CCCCCCCCNC(=O)C(C)COC 11a_100000229939_100000751857 [0,2,0,0,0,0|1,0,0]=3 8751 B15R0.3222 CCCCCCCCNC(=O)C(C)COC 1626a_100000229939_100000751857 [0,2,0,0,0,0|1,0,0]=3 8752 B15R0.3222 CCCCCCCCNC(=O)C(C)COC 240690a_100000229939_100000751857 [0,2,0,0,0,0|1,0,0]=3 8753 B15R0.3222 CCCCCCCCNC(=O)C(C)COC 527a_100000229939_100000751857 [0,2,0,0,0,0|1,0,0]=3 8754 B15R0.3222 CCCCCCCCNC(=O)C(C)CSC 11a_100000229939_100000753918 [0,2,0,0,0,0|1,0,0]=3 8755 B15R0.3222 CCCCCCCCNC(=O)C(C)CSC 1626a_100000229939_100000753918 [0,2,0,0,0,0|1,0,0]=3 8756 B15R0.3222 CCCCCCCCNC(=O)C(C)CSC 240690a_100000229939_100000753918 [0,2,0,0,0,0|1,0,0]=3 8757 B15R0.3222 CCCCCCCCNC(=O)C(C)CSC 527a_100000229939_100000753918 [0,2,0,0,0,0|1,0,0]=3 8758 B15R0.3222 CCCCCCCCNC(=O)C(C)OCC 11a_100000229939_100000739345 [0,2,0,0,0,0|1,0,0]=3 8759 B15R0.3222 CCCCCCCCNC(=O)C(C)OCC 1626a_100000229939_100000739345 [0,2,0,0,0,0|1,0,0]=3 8760 B15R0.3222 CCCCCCCCNC(=O)C(C)OCC 240690a_100000229939_100000739345 [0,2,0,0,0,0|1,0,0]=3 8761 B15R0.3222 CCCCCCCCNC(=O)C(C)OCC 527a_100000229939_100000739345 [0,2,0,0,0,0|1,0,0]=3 8762 B15R0.3222 CCCCCCCCNC(=O)C(C)SCC 11a_100000229939_100000230601 [0,2,0,0,0,0|1,0,0]=3 8763 B15R0.3222 CCCCCCCCNC(=O)C(C)SCC 1626a_100000229939_100000230601 [0,2,0,0,0,0|1,0,0]=3 8764 B15R0.3222 CCCCCCCCNC(=O)C(C)SCC 240690a_100000229939_100000230601 [0,2,0,0,0,0|1,0,0]=3 8765 B15R0.3222 CCCCCCCCNC(=O)C(C)SCC 527a_100000229939_100000230601 [0,2,0,0,0,0|1,0,0]=3 8766 B15R0.3222 CCCCCCCCNC(=O)N(C)CCC 2708a_100000229939_100000747261 [0,2,0,0,0,0|1,0,0]=3 8767 B15R0.3222 CCCCCCCCNC(=O)N(C)CCC 273464a_100000229939_100000747261 [0,2,0,0,0,0|1,0,0]=3 8768 B15R0.3222 CCCCCCCCNC(=O)N(C)CCO 2708a_100000229939_100000210263 [0,2,0,0,0,0|2,0,0]=4 8769 B15R0.3222 CCCCCCCCNC(=O)N(C)CCO 273464a_100000229939_100000210263 [0,2,0,0,0,0|2,0,0]=4 8770 B15R0.3222 CCCCCCCCNC(=O)[C@@H](O)CCC 240690a_100000229939_100009822183 [0,2,0,0,0,0|1,0,0]=3 8771 B15R0.3222 CCCCCCCCNC(C)C(=O)NCC 2230a_100000229939_100000230173 [0,2,0,0,0,0|2,0,0]=4 8772 B15R0.3222 CCCCCCCCNC(C)C(=O)NCC 2230a_100000736553_100000210759 [0,2,0,0,0,0|2,0,0]=4 8773 B15R0.3222 CCCCCCCCNC(C)C(=O)NCC 34a_100000229939_100000230173 [0,2,0,0,0,0|2,0,0]=4 8774 B15R0.3222 CCCCCCCCNC(C)C(=O)NCC 34a_100000736553_100000210759 [0,2,0,0,0,0|2,0,0]=4 8775 B15R0.3222 CCCCCCCCNC(C)C(=O)OCC 2230a_100000229939_100011215307 [0,2,0,0,0,0|2,0,0]=4 8776 B15R0.3222 CCCCCCCCNC(C)C(=O)OCC 34a_100000229939_100011216346 [0,2,0,0,0,0|2,0,0]=4 8777 B15R0.3222 CCCCCCCCNC(F)C(=O)OCC 2230a_100000229939_100000760018 [0,2,0,0,0,0|2,0,0]=4 8778 B15R0.3222 CCCCCCCCNC(F)C(=O)OCC 34a_100000229939_100000760018 [0,2,0,0,0,0|2,0,0]=4 8779 B15R0.3222 CCCCCCCCN[C@@H](C)C(=O)SCC 2230a_100103168634_100000210759 [0,2,0,0,0,0|2,0,0]=4 8780 B15R0.3222 CCCCCCCCOC(C)C(=O)NCC 34a_100000210232_100000230173 [0,2,0,0,0,0|1,0,0]=3 8781 B15R0.3222 CCCCCCCCOC(C)C(=O)NCC 7a_100000210232_100000230173 [0,2,0,0,0,0|1,0,0]=3 8782 B15R0.3222 CCCCCCCCOC(C)C(=O)OCC 34a_100000210232_100011216346 [0,2,0,0,0,0|1,0,0]=3 8783 B15R0.3222 CCCCCCCCOC(C)C(=O)OCC 7a_100000210232_100011216346 [0,2,0,0,0,0|1,0,0]=3 8784 B15R0.3222 CCCCCCCCOC(C)C(C)CCC 34a_100000708338_100000210759 [0,2,0,0,0,0|1,0,1]=4 8785 B15R0.3222 CCCCCCCCOC(C)C(C)CCC 7a_100000708338_100000210759 [0,2,0,0,0,0|1,0,1]=4 8786 B15R0.3222 CCCCCCCCOC(F)C(=O)OCC 34a_100000210232_100000760018 [0,2,0,0,0,0|1,0,0]=3 8787 B15R0.3222 CCCCCCCCOC(F)C(=O)OCC 7a_100000210232_100000040065 [0,2,0,0,0,0|1,0,0]=3 8788 B15R0.3222 CCCCCCCCO[C@@H](C)C(=O)OCC 7a_100000751109_100000210759 [0,2,0,0,0,0|1,0,0]=3 8789 B15R0.3222 CCCCCCCCSC(C)C(=O)NCC 62a_100000210759_100000230173 [0,2,0,0,0,0|1,1,0]=4 8790 B15R0.3222 CCCCCCCCSC(C)C(=O)NCC 62a_100000230173_100000210317 [0,2,0,0,0,0|1,1,0]=4 8791 B15R0.3222 CCCCCCCCSC(C)C(=O)OCC 62a_100000210759_100011216346 [0,2,0,0,0,0|1,1,0]=4 8792 B15R0.3222 CCCCCCCCSC(C)C(=O)OCC 62a_100011216346_100000210317 [0,2,0,0,0,0|1,1,0]=4 8793 B15R0.3222 CCCCCCCCSC(F)C(=O)OCC 62a_100000210759_100000760018 [0,2,0,0,0,0|1,1,0]=4 8794 B15R0.3222 CCCCCCCCSC(F)C(=O)OCC 62a_100000760018_100000210317 [0,2,0,0,0,0|1,1,0]=4 8795 B15R0.3222 CCCCCCCSCC(=O)C(=O)OCC 62a_100000210614_100000211299 [0,2,0,0,0,0|2,0,0]=4 8796 B15R0.3222 CCCCCCCSCC(=O)C(=O)OCC 62a_100000211299_100000210316 [0,2,0,0,0,0|2,0,0]=4 8797 B15R0.3222 CCCCCNCCOC(C)C(=O)NCC 34a_100000224656_100000230173 [0,2,0,0,0,0|2,0,0]=4 8798 B15R0.3222 CCCCCNCCOC(C)C(=O)OCC 34a_100000224656_100011216346 [0,2,0,0,0,0|2,0,0]=4 8799 B15R0.3222 CCCCCNCCOC(F)C(=O)OCC 34a_100000224656_100000760018 [0,2,0,0,0,0|2,0,0]=4 8800 B15R0.3222 CCCCCOCCOC(C)C(=O)NCC 34a_100011215259_100000230173 [0,2,0,0,0,0|2,0,0]=4 8801 B15R0.3222 CCCCCOCCOC(C)C(=O)NCC 7a_100011215259_100000230173 [0,2,0,0,0,0|2,0,0]=4 8802 B15R0.3222 CCCCCOCCOC(C)C(=O)OCC 34a_100011215259_100011216346 [0,2,0,0,0,0|2,0,0]=4 8803 B15R0.3222 CCCCCOCCOC(C)C(=O)OCC 7a_100011215259_100011216346 [0,2,0,0,0,0|2,0,0]=4 8804 B15R0.3222 CCCCCOCCOC(F)C(=O)OCC 34a_100011215259_100000760018 [0,2,0,0,0,0|2,0,0]=4 8805 B15R0.3222 CCCCCOCCOC(F)C(=O)OCC 7a_100011215259_100000040065 [0,2,0,0,0,0|2,0,0]=4 8806 B15R0.3222 CCCCOCCCNC(=O)C(C)CCC 1626a_200000211371_100000210906 [0,2,0,0,0,0|2,0,0]=4 8807 B15R0.3222 CCCCOCCCNC(=O)C(C)CCC 240690a_200000211371_100000210906 [0,2,0,0,0,0|2,0,0]=4 8808 B15R0.3222 CCCCOCCCNC(=O)C(C)CCC 527a_200000211371_100000210906 [0,2,0,0,0,0|2,0,0]=4 8809 B15R0.3222 CCCCOCCCNC(=O)C(C)COC 1626a_200000211371_100000751857 [0,2,0,0,0,0|2,0,0]=4 8810 B15R0.3222 CCCCOCCCNC(=O)C(C)COC 240690a_200000211371_100000751857 [0,2,0,0,0,0|2,0,0]=4 8811 B15R0.3222 CCCCOCCCNC(=O)C(C)COC 527a_200000211371_100000751857 [0,2,0,0,0,0|2,0,0]=4 8812 B15R0.3222 CCCCOCCCNC(=O)C(C)CSC 1626a_200000211371_100000753918 [0,2,0,0,0,0|2,0,0]=4 8813 B15R0.3222 CCCCOCCCNC(=O)C(C)CSC 240690a_200000211371_100000753918 [0,2,0,0,0,0|2,0,0]=4 8814 B15R0.3222 CCCCOCCCNC(=O)C(C)CSC 527a_200000211371_100000753918 [0,2,0,0,0,0|2,0,0]=4 8815 B15R0.3222 CCCCOCCCNC(=O)C(C)OCC 1626a_200000211371_100000739345 [0,2,0,0,0,0|2,0,0]=4 8816 B15R0.3222 CCCCOCCCNC(=O)C(C)OCC 240690a_200000211371_100000739345 [0,2,0,0,0,0|2,0,0]=4 8817 B15R0.3222 CCCCOCCCNC(=O)C(C)OCC 527a_200000211371_100000739345 [0,2,0,0,0,0|2,0,0]=4 8818 B15R0.3222 CCCCOCCCNC(=O)C(C)SCC 1626a_200000211371_100000230601 [0,2,0,0,0,0|2,0,0]=4 8819 B15R0.3222 CCCCOCCCNC(=O)C(C)SCC 240690a_200000211371_100000230601 [0,2,0,0,0,0|2,0,0]=4 8820 B15R0.3222 CCCCOCCCNC(=O)C(C)SCC 527a_200000211371_100000230601 [0,2,0,0,0,0|2,0,0]=4 8821 B15R0.3222 CCCCOCCCNC(=O)N(C)CCC 2708a_200000211371_100000747261 [0,2,0,0,0,0|2,0,0]=4 8822 B15R0.3222 CCCCOCCCNC(=O)N(C)CCC 273464a_200000211371_100000747261 [0,2,0,0,0,0|2,0,0]=4 8823 B15R0.3222 CCCCOCCCNC(=O)[C@@H](O)CCC 240690a_200000211371_100009822183 [0,2,0,0,0,0|2,0,0]=4 8824 B15R0.3222 CCCCOCCCOC(C)C(=O)NCC 34a_200011215613_100000230173 [0,2,0,0,0,0|2,0,0]=4 8825 B15R0.3222 CCCCOCCCOC(C)C(=O)NCC 7a_200011215613_100000230173 [0,2,0,0,0,0|2,0,0]=4 8826 B15R0.3222 CCCCOCCCOC(C)C(=O)OCC 34a_200011215613_100011216346 [0,2,0,0,0,0|2,0,0]=4 8827 B15R0.3222 CCCCOCCCOC(C)C(=O)OCC 7a_200011215613_100011216346 [0,2,0,0,0,0|2,0,0]=4 8828 B15R0.3222 CCCCOCCCOC(F)C(=O)OCC 34a_200011215613_100000760018 [0,2,0,0,0,0|2,0,0]=4 8829 B15R0.3222 CCCCOCCCOC(F)C(=O)OCC 7a_200011215613_100000040065 [0,2,0,0,0,0|2,0,0]=4 8830 B15R0.3222 CCCN(C)C(=O)CCCCCCCCO 240690a_100000747261_100000015970 [0,2,0,0,0,0|2,0,0]=4 8831 B15R0.3222 CCCN(C)C(=O)NCCCCCCCO 2708a_100011996573_100000747261 [0,2,0,0,0,0|2,0,0]=4 8832 B15R0.3222 CCCN(C)C(=O)NCCCCCCCO 273464a_100011996573_100000747261 [0,2,0,0,0,0|2,0,0]=4 8833 B15R0.3222 CCCSCCCCCC(=O)C(=O)OCC 62a_100000210303_100000068741 [0,2,0,0,0,0|2,0,0]=4 8834 B15R0.3222 CCC[C@H](O)C(=O)CCCCCCCCO 1458a_100009822183_100000033203 [0,2,0,0,0,0|2,0,0]=4 8835 B15R0.3222 CCC[C@H](O)C(=O)NCCCCCCCO 240690a_100011996573_100009822183 [0,2,0,0,0,0|2,0,0]=4 8836 B15R0.3222 CCNC(=O)C(=O)CCCCCCCCO 1458a_200011297158_100000033203 [0,2,0,0,0,0|2,0,0]=4 8837 B15R0.3222 CCNC(=O)C(C)OCCCCCCCBr 34a_100000760002_100000230173 [0,2,0,0,0,0|2,0,0]=4 8838 B15R0.3222 CCNC(=O)C(C)OCCCCCCCBr 7a_100000760002_100000230173 [0,2,0,0,0,0|2,0,0]=4 8839 B15R0.3222 CCNC(=O)C(C)OCCCCCCCN 34a_100011996573_100000230173 [0,2,0,0,0,0|2,0,0]=4 8840 B15R0.3222 CCNC(=O)C(C)OCCCCCCOC 34a_200012092642_100000230173 [0,2,0,0,0,0|2,0,0]=4 8841 B15R0.3222 CCNC(=O)C(C)OCCCCCCOC 7a_200012092642_100000230173 [0,2,0,0,0,0|2,0,0]=4 8842 B15R0.3222 CCOC(=O)C(C)OCCCCCCCBr 34a_100000760002_100011216346 [0,2,0,0,0,0|2,0,0]=4 8843 B15R0.3222 CCOC(=O)C(C)OCCCCCCCBr 7a_100000760002_100011216346 [0,2,0,0,0,0|2,0,0]=4 8844 B15R0.3222 CCOC(=O)C(C)OCCCCCCCN 34a_100011996573_100011216346 [0,2,0,0,0,0|2,0,0]=4 8845 B15R0.3222 CCOC(=O)C(C)OCCCCCCOC 34a_200012092642_100011216346 [0,2,0,0,0,0|2,0,0]=4 8846 B15R0.3222 CCOC(=O)C(C)OCCCCCCOC 7a_200012092642_100011216346 [0,2,0,0,0,0|2,0,0]=4 8847 B15R0.3222 CCOC(=O)C(F)OCCCCCCCBr 34a_100000760002_100000760018 [0,2,0,0,0,0|2,0,0]=4 8848 B15R0.3222 CCOC(=O)C(F)OCCCCCCCBr 7a_100000760002_100000040065 [0,2,0,0,0,0|2,0,0]=4 8849 B15R0.3222 CCOC(=O)C(F)OCCCCCCCN 34a_100011996573_100000760018 [0,2,0,0,0,0|2,0,0]=4 8850 B15R0.3222 CCOC(=O)C(F)OCCCCCCOC 34a_200012092642_100000760018 [0,2,0,0,0,0|2,0,0]=4 8851 B15R0.3222 CCOC(=O)C(F)OCCCCCCOC 7a_200012092642_100000040065 [0,2,0,0,0,0|2,0,0]=4 8852 B15R0.3222 CCOC(=O)[C@H](C)OCCCCCCCO 7a_100000751109_100000760002 [0,2,0,0,0,0|2,0,0]=4 8853 B15R0.3222 CCOC(=O)[C@H](C)OCCCCCCOC 7a_100000751109_100011998445 [0,2,0,0,0,0|2,0,0]=4 8854 B15R0.3222 CCOC(C)C(=O)CCCCCCCCO 1458a_100000739345_100000033203 [0,2,0,0,0,0|2,0,0]=4 8855 B15R0.3222 CCOC(C)C(=O)NCCCCCCCO 240690a_100011996573_100000739345 [0,2,0,0,0,0|2,0,0]=4 8856 B15R0.3222 CCSC(C)C(=O)CCCCCCCCO 1458a_100000230601_100000033203 [0,2,0,0,0,0|2,0,0]=4 8857 B15R0.3222 CCSC(C)C(=O)NCCCCCCCO 240690a_100011996573_100000230601 [0,2,0,0,0,0|2,0,0]=4 8858 B15R0.3222 COCC(C)C(=O)CCCCCCCCO 1458a_100000751857_100000033203 [0,2,0,0,0,0|2,0,0]=4 8859 B15R0.3222 COCC(C)C(=O)NCCCCCCCO 240690a_100011996573_100000751857 [0,2,0,0,0,0|2,0,0]=4 8860 B15R0.3222 CSCC(C)C(=O)CCCCCCCCO 1458a_100000753918_100000033203 [0,2,0,0,0,0|2,0,0]=4 8861 B15R0.3222 CSCC(C)C(=O)NCCCCCCCO 240690a_100011996573_100000753918 [0,2,0,0,0,0|2,0,0]=4 8862 B15R0.3245 C=C(C)CC(=O)C(O)CCCCCCCC 1458a_200011995895_100000748629 [0,2,0,0,0,0|1,0,1]=4 8863 B15R0.3245 CCCCCCCCC(=O)C(=O)NC(C)C 1458a_100011220036_100000210759 [0,2,0,0,0,0|2,0,0]=4 8864 B15R0.3245 CCCCCCCCC(O)C(=O)CC(C)C 1458a_200011995895_100000210624 [0,2,0,0,0,0|1,0,0]=3 8865 B15R0.3245 CCCCCCCCC(O)C(=O)CC(C)O 1458a_200011995895_100011218427 [0,2,0,0,0,0|1,0,0]=3 8866 B15R0.3245 CCCCCCCCC(O)C(=O)CC(F)F 1458a_200011995895_100011934356 [0,2,0,0,0,0|2,0,0]=4 8867 B15R0.3245 CCCCCCCCC(O)C(=O)NC(C)C 240690a_100138425928_200011995895 [0,2,0,0,0,0|2,0,0]=4 8868 B15R0.3245 CCCCCCCCN(C)C(=O)CC(C)C 11a_100000207567_100000210554 [0,2,0,0,0,0|1,0,0]=3 8869 B15R0.3245 CCCCCCCCN(C)C(=O)CC(C)C 1626a_100000207567_100000210554 [0,2,0,0,0,0|1,0,0]=3 8870 B15R0.3245 CCCCCCCCN(C)C(=O)CC(C)C 240690a_100000207567_100000210554 [0,2,0,0,0,0|1,0,0]=3 8871 B15R0.3245 CCCCCCCCN(C)C(=O)CC(C)C 527a_100000207567_100000210554 [0,2,0,0,0,0|1,0,0]=3 8872 B15R0.3245 CCCCCCCCN(C)C(=O)CN(C)C 11a_100000207567_100000750896 [0,2,0,0,0,0|2,0,0]=4 8873 B15R0.3245 CCCCCCCCN(C)C(=O)CN(C)C 240690a_100000207567_100000750896 [0,2,0,0,0,0|2,0,0]=4 8874 B15R0.3245 CCCCCCCCN(C)C(=O)CN(C)C 527a_100000207567_100000750896 [0,2,0,0,0,0|2,0,0]=4 8875 B15R0.3245 CCCCCCCCN(C)C(=O)C[C@@H](C)O 240690a_100000207567_100011933948 [0,2,0,0,0,0|1,0,0]=3 8876 B15R0.3245 CCCCCCCCN(C)C(=O)C[S+](C)C 11a_100000207567_200159257847 [0,2,0,0,0,0|2,0,0]=4 8877 B15R0.3245 CCCCCCCCN(C)C(=O)C[S+](C)C 1626a_100000207567_200159257847 [0,2,0,0,0,0|2,0,0]=4 8878 B15R0.3245 CCCCCCCCN(C)C(=O)C[S+](C)C 240690a_100000207567_200159257847 [0,2,0,0,0,0|2,0,0]=4 8879 B15R0.3245 CCCCCCCCN(C)C(=O)C[S+](C)C 527a_100000207567_200159257847 [0,2,0,0,0,0|2,0,0]=4 8880 B15R0.3245 CCCCCCCCN(C)C(=O)NC(C)C 2708a_100138425928_100000207567 [0,2,0,0,0,0|2,0,0]=4 8881 B15R0.3245 CCCCCCCCN(C)C(=O)NC(C)C 273464a_100138425928_100000207567 [0,2,0,0,0,0|2,0,0]=4 8882 B15R0.4096 CCCCCCCCN(C)S(=O)(=O)CCC 270084a_100000207567_100000211391 [0,2,0,0,0,0|2,0,0]=4 8883 B15R0.4096 CCCCCCCCN(C)S(=O)(=O)CCC 274078a_100000207567_100000211391 [0,2,0,0,0,0|2,0,0]=4 8884 B15R0.4096 CCCCCCCCN(C)S(=O)(=O)CCC 40a_100000207567_100000054278 [0,2,0,0,0,0|2,0,0]=4 8885 B15R0.1998 C#CC(CC(C)C)OCCCCCCCC 34a_100011215986_100000210759 [0,2,0,0,0,0|1,0,1]=4 8886 B15R0.1998 C#CC(CC(C)C)OCCCCCCCC 7a_100011215986_100000210759 [0,2,0,0,0,0|1,0,1]=4 8887 B15R0.1998 C=CC(CC(C)C)OCCCCCCCC 34a_100012186643_100000210759 [0,2,0,0,0,0|1,0,1]=4 8888 B15R0.1998 C=CC(CC(C)C)OCCCCCCCC 7a_100012186643_100000210759 [0,2,0,0,0,0|1,0,1]=4 8889 B15R0.1998 CCCCCCCCOC(C#N)CC(C)C 34a_200011294978_100000210759 [0,2,0,0,0,0|1,0,1]=4 8890 B15R0.1998 CCCCCCCCOC(C#N)CC(C)C 7a_200011294978_100000210759 [0,2,0,0,0,0|1,0,1]=4 8891 B15R0.1999 CCCC(OCCCCCCCO)C(=O)N 34a_100011626294_100000760002 [0,2,0,0,0,0|1,0,1]=4 8892 B15R0.1999 CCCC(OCCCCCCCO)C(=O)N 7a_100011626294_100000760002 [0,2,0,0,0,0|1,0,1]=4 8893 B15R0.1999 CCCC(OCCCCCCOC)C(=O)N 34a_100011626294_100011998445 [0,2,0,0,0,0|1,0,1]=4 8894 B15R0.1999 CCCC(OCCCCCCOC)C(=O)N 7a_100011626294_100011998445 [0,2,0,0,0,0|1,0,1]=4 8895 B15R0.1999 CCCCCCCCN[C@@H](CCC)C(=O)N 2230a_100000729256_100000210759 [0,2,0,0,0,0|1,0,1]=4 8896 B15R0.1999 CCCCCCCCN[C@@H](CCC)C(=O)N 34a_100000729256_100000210759 [0,2,0,0,0,0|1,0,1]=4 8897 B15R0.1999 CCCCCCCCN[C@@H](CCC)C(=O)O 269956a_100000750406_100000210759 [0,2,0,0,0,0|1,0,1]=4 8898 B15R0.1999 CCCCCCCCOC(CCC)C(=O)N 34a_100011626294_100000210759 [0,2,0,0,0,0|0,0,1]=3 8899 B15R0.1999 CCCCCCCCOC(CCC)C(=O)N 7a_100011626294_100000210759 [0,2,0,0,0,0|0,0,1]=3 8900 B15R0.1999 CCCCCCCCOC(CCC)C(C)C 34a_200011215069_100000210759 [0,2,0,0,0,0|1,0,1]=4 8901 B15R0.1999 CCCCCCCCOC(CCC)C(C)C 7a_200011215069_100000210759 [0,2,0,0,0,0|1,0,1]=4 8902 B15R0.2001 C/C=C/C(CCC)OCCCCCCCC 34a_200016264281_100000210759 [0,2,0,0,0,0|1,0,1]=4 8903 B15R0.2001 C/C=C/C(CCC)OCCCCCCCC 7a_200016264281_100000210759 [0,2,0,0,0,0|1,0,1]=4 8904 B15R0.2001 C=CCC(CCC)OCCCCCCCC 34a_100011215139_100000210759 [0,2,0,0,0,0|1,0,1]=4 8905 B15R0.2001 C=CCC(CCC)OCCCCCCCC 7a_100011215139_100000210759 [0,2,0,0,0,0|1,0,1]=4 8906 B15R0.2001 CCCCCCCCOC(CCC)CCC 34a_100000210232_200011218217 [0,2,0,0,0,0|1,0,1]=4 8907 B15R0.2001 CCCCCCCCOC(CCC)CCC 34a_200011218534_100000210759 [0,2,0,0,0,0|1,0,1]=4 8908 B15R0.2001 CCCCCCCCOC(CCC)CCC 7a_100000210232_200011218217 [0,2,0,0,0,0|1,0,1]=4 8909 B15R0.2001 CCCCCCCCOC(CCC)CCC 7a_200011218534_100000210759 [0,2,0,0,0,0|1,0,1]=4 8910 B15R0.3219 C#CC(CCCC)OCCCCCCCC 34a_200011217967_100000210759 [0,2,0,0,0,0|1,0,1]=4 8911 B15R0.3219 C#CC(CCCC)OCCCCCCCC 7a_200011217967_100000210759 [0,2,0,0,0,0|1,0,1]=4 8912 B15R0.3219 C=CC(CCCC)OCCCCCCCC 34a_200011215037_100000210759 [0,2,0,0,0,0|1,0,1]=4 8913 B15R0.3219 C=CC(CCCC)OCCCCCCCC 7a_200011215037_100000210759 [0,2,0,0,0,0|1,0,1]=4 8914 B15R0.3219 CCCCCCCCOC(CC)CCCC 34a_100000210232_200011216223 [0,2,0,0,0,0|1,0,1]=4 8915 B15R0.3219 CCCCCCCCOC(CC)CCCC 34a_100011215227_100000210759 [0,2,0,0,0,0|1,0,1]=4 8916 B15R0.3219 CCCCCCCCOC(CC)CCCC 7a_100000210232_200011216223 [0,2,0,0,0,0|1,0,1]=4 8917 B15R0.3219 CCCCCCCCOC(CC)CCCC 7a_100011215227_100000210759 [0,2,0,0,0,0|1,0,1]=4 8918 B15R0.3219 CCCCCCCCOC(CN)COCC 34a_102515437182_100000210759 [0,2,0,0,0,0|1,0,1]=4 8919 B15R0.3228 C#CC(CCC)OCCCCCCCCC 34a_200011217317_100011214924 [0,2,0,0,0,0|1,0,1]=4 8920 B15R0.3228 C#CC(CCC)OCCCCCCCCC 7a_200011217317_100000210328 [0,2,0,0,0,0|1,0,1]=4 8921 B15R0.3228 C#CC(CCC)OCCCCCCCCO 34a_200011217317_100000033203 [0,2,0,0,0,0|1,0,1]=4 8922 B15R0.3228 C#CC(CCC)OCCCCCCCCO 7a_200011217317_100000033203 [0,2,0,0,0,0|1,0,1]=4 8923 B15R0.3228 C=CC(CCC)OCCCCCCCCC 34a_100011216692_100011214924 [0,2,0,0,0,0|1,0,1]=4 8924 B15R0.3228 C=CC(CCC)OCCCCCCCCC 7a_100011216692_100000210328 [0,2,0,0,0,0|1,0,1]=4 8925 B15R0.3228 C=CC(CCC)OCCCCCCCCO 34a_100011216692_100000033203 [0,2,0,0,0,0|1,0,1]=4 8926 B15R0.3228 C=CC(CCC)OCCCCCCCCO 7a_100011216692_100000033203 [0,2,0,0,0,0|1,0,1]=4 8927 B15R0.3228 CCCC(C#N)OCCCCCCCCO 34a_100000686963_100000033203 [0,2,0,0,0,0|1,0,1]=4 8928 B15R0.3228 CCCC(C#N)OCCCCCCCCO 7a_100000686963_100000033203 [0,2,0,0,0,0|1,0,1]=4 8929 B15R0.3228 CCCC(CC)OCCCCCCCCBr 7a_100009813846_100011219200 [0,2,0,0,0,0|1,0,1]=4 8930 B15R0.3228 CCCC(CC)OCCCCCCCCCl 7a_100000033203_100011219200 [0,2,0,0,0,0|1,0,1]=4 8931 B15R0.3228 CCCC(CC)OCCCCCCCCO 34a_100000687864_100000033203 [0,2,0,0,0,0|1,0,1]=4 8932 B15R0.3228 CCCC(CC)OCCCCCCCCO 7a_100000687864_100000033203 [0,2,0,0,0,0|1,0,1]=4 8933 B15R0.3228 CCCCCCCCCOC(C#N)CCC 34a_100000686963_100011214924 [0,2,0,0,0,0|1,0,1]=4 8934 B15R0.3228 CCCCCCCCCOC(C#N)CCC 7a_100000686963_100000210328 [0,2,0,0,0,0|1,0,1]=4 8935 B15R0.3228 CCCCCCCCCOC(CC)CCC 34a_100000687864_100011214924 [0,2,0,0,0,0|1,0,1]=4 8936 B15R0.3228 CCCCCCCCCOC(CC)CCC 7a_100000210712_100011219200 [0,2,0,0,0,0|1,0,1]=4 8937 B15R0.3228 CCCCCCCCCOC(CC)CCC 7a_100000687864_100000210328 [0,2,0,0,0,0|1,0,1]=4 8938 B15R0.3228 CCCCCCOCCOC(CC)CCC 7a_100000691444_100011219200 [0,2,0,0,0,0|1,0,1]=4 8939 B15R0.3228 CCCCOCCCCOC(CC)CCC 7a_200000760531_100011219200 [0,2,0,0,0,0|1,0,1]=4 8940 B15R0.5056 CCCCCCCCOC(C)(CC)CCC 7a_100000210232_200000040151 [0,2,0,0,0,0|1,0,1]=4 8941 B15R0.5056 CCCCCCCCOC(C)(CC)CCC 7a_200011215934_100000210759 [0,2,0,0,0,0|1,0,1]=4 8942 B15R0.204 CCCCC(C)OCCOC(=O)CC(=O)C 34a_100000687866_100000102702 [0,2,0,0,0,0|1,0,1]=4 8943 B15R0.204 CCCCC(C)SCCOC(=O)CC(=O)C 62a_100000102702_200011215066 [0,2,0,0,0,0|1,0,1]=4 8944 B15R0.204 CCCCC(C)SCCOC(=O)CC(=O)C 62a_200011215066_100000102702 [0,2,0,0,0,0|1,0,1]=4 8945 B15R0.244 CCCC(=O)OCOC[C@@H](N)CCCCN 34a_100016993712_100000034017 [0,2,0,0,0,0|1,0,0]=3 8946 B15R0.244 CCCCCC(=O)CCCCC(=O)OCC 1458a_100000212188_100000750268 [0,2,0,0,0,0|2,0,0]=4 8947 B15R0.244 CCCCCC(=O)CCCCC(=O)OCC 1458a_100011217402_100000210326 [0,2,0,0,0,0|2,0,0]=4 8948 B15R0.244 CCCCCC(=O)CCOCC(=O)OCC 1458a_100000212188_100000088970 [0,2,0,0,0,0|1,0,1]=4 8949 B15R0.244 CCCCCC(=O)CSCOC(=O)CCC 62a_200012276598_100000034017 [0,2,0,0,0,0|0,0,1]=3 8950 B15R0.244 CCCCCC(=O)CSCOC(=O)OCC 62a_200012276598_100000075025 [0,2,0,0,0,0|1,0,1]=4 8951 B15R0.244 CCCCCC(C)NCCCC(=O)OCC 2230a_100000211957_100009991533 [0,2,0,0,0,0|2,0,0]=4 8952 B15R0.244 CCCCCC(C)OCCCC(=O)OCC 34a_100011215632_100009991533 [0,2,0,0,0,0|2,0,0]=4 8953 B15R0.244 CCCCCC(C)OCCCC(=O)OCC 7a_100011215632_100011215271 [0,2,0,0,0,0|2,0,0]=4 8954 B15R0.244 CCCCCC(C)OCCCC(=O)OCC 7a_100012001163_200011218191 [0,2,0,0,0,0|2,0,0]=4 8955 B15R0.244 CCCCCC(C)OCCNC(=O)OCC 34a_100000158857_200011218191 [0,2,0,0,0,0|2,0,0]=4 8956 B15R0.244 CCCCCC(C)OCCNC(=O)OCC 7a_100011215632_200011445536 [0,2,0,0,0,0|2,0,0]=4 8957 B15R0.244 CCCCCC(C)SCCCC(=O)OCC 62a_100009991533_200011218191 [0,2,0,0,0,0|2,0,0]=4 8958 B15R0.244 CCCCCC(C)SCCCC(=O)OCC 62a_200011218191_100009991533 [0,2,0,0,0,0|2,0,0]=4 8959 B15R0.244 CCCCCC(C)SCCNC(=O)OCC 62a_200011218191_200011445536 [0,2,0,0,0,0|2,0,0]=4 8960 B15R0.244 CCCCCN(C)CCCCC(=O)OCC 2230a_100000223495_100000750268 [0,2,0,0,0,0|2,0,0]=4 8961 B15R0.244 CCCCCN(C)CCCCC(=O)OCC 269982a_100000223495_100000750268 [0,2,0,0,0,0|2,0,0]=4 8962 B15R0.244 CCCCCN(C)CCOCC(=O)OCC 2230a_100000223495_100000088970 [0,2,0,0,0,0|2,0,0]=4 8963 B15R0.244 CCCCCN(C)CCOCC(=O)OCC 269982a_100000223495_100000088970 [0,2,0,0,0,0|2,0,0]=4 8964 B15R0.244 CCCCNC(=O)CSCOC(=O)CCC 62a_100000182744_100000034017 [0,2,0,0,0,0|1,0,1]=4 8965 B15R0.244 CCCCOC(=O)CSCOC(=O)CCC 62a_100000211628_100000034017 [0,2,0,0,0,0|1,0,1]=4 8966 B15R0.355 CCCCC(CC)CCCCC(=O)CCC 1458a_100000211992_200012094884 [0,2,0,0,0,0|1,0,0]=3 8967 B15R0.355 CCCCC(CC)CCCCC(=O)CCO 1458a_100011216618_200012094884 [0,2,0,0,0,0|2,0,0]=4 8968 B15R0.355 CCCCC(CC)CCCCC(=O)COC 1458a_100000210968_200012094884 [0,2,0,0,0,0|2,0,0]=4 8969 B15R0.355 CCCCC(CC)CCCCC(=O)CSC 1458a_100000184570_200012094884 [0,2,0,0,0,0|2,0,0]=4 8970 B15R0.355 CCCCC(CC)CNCOC(=O)CCC 2230a_100000209976_100000034017 [0,2,0,0,0,0|1,0,0]=3 8971 B15R0.355 CCCCC(CC)COCOC(=O)CCC 34a_100000210273_100000034017 [0,2,0,0,0,0|1,0,0]=3 8972 B15R0.355 CCCCC(CC)CSCOC(=O)CCC 62a_100000211942_100000034017 [0,2,0,0,0,0|1,0,0]=3 8973 B15R0.355 CCCCC(CC)CSCOC(=O)OCC 62a_100000211942_100000075025 [0,2,0,0,0,0|2,0,0]=4 8974 B15R0.3367 CCCC[Si](C)(C)CSCOC(=O)CCC 62a_200000073895_100000034017 [0,2,0,0,0,0|1,1,0]=4 8975 B15R0.4259 CCCCC(C)COCOC(=O)OCCC 34a_100011995851_200000139673 [0,2,0,0,0,0|1,0,0]=3 8976 B15R0.4259 CCCCC(C)COCOC(=O)OCCC 7a_100011995851_200000139673 [0,2,0,0,0,0|1,0,0]=3 8977 B15R0.4259 CCCCC(C)NCCCC(=O)NCCC 2230a_100000126638_100011194427 [0,2,0,0,0,0|2,0,0]=4 8978 B15R0.4259 CCCCC(C)OCCCC(=O)NCCC 7a_100000687866_100011194427 [0,2,0,0,0,0|2,0,0]=4 8979 B15R0.4259 CCCCC(C)SCCCC(=O)NCCC 62a_100011194427_200011215066 [0,2,0,0,0,0|2,0,0]=4 8980 B15R0.4259 CCCCC(C)SCCCC(=O)NCCC 62a_200011215066_100011194427 [0,2,0,0,0,0|2,0,0]=4 8981 B15R0.4259 CCCC[C@H](N)COCOC(=O)OCCC 34a_100011934283_200000139673 [0,2,0,0,0,0|1,0,0]=3 8982 B15R0.4259 CCCOC(=O)OCNCC(C)OCCC 34a_100015185124_200000139673 [0,2,0,0,0,0|2,0,0]=4 8983 B15R0.4259 CCCOC(=O)OCNCC(O)COCC 34a_102515437182_200000139673 [0,2,0,0,0,0|2,0,0]=4 8984 B15R0.4259 CCCOC(=O)OCNC[C@H](C)CCCO 34a_100160569302_200000139673 [0,2,0,0,0,0|2,0,0]=4 8985 B15R0.4259 CCCOC(=O)OCOC[C@@H](N)CCSC 34a_100011827619_200000139673 [0,2,0,0,0,0|2,0,0]=4 8986 B15R0.192 CCCCCCC(=O)CNC(=O)C(C)CC 1458a_100000743532_100000210757 [0,2,0,0,0,0|1,0,1]=4 8987 B15R0.321 CC(C)C(C)C(=O)CCCCCCCCO 1458a_100000755409_100000033203 [0,2,0,0,0,0|2,0,0]=4 8988 B15R0.321 CC(C)C(C)C(=O)NCCCCCCCO 240690a_100011996573_100000755409 [0,2,0,0,0,0|2,0,0]=4 8989 B15R0.321 CC(C)[C@@H](O)C(=O)CCCCCCCCO 1458a_100000691806_100000033203 [0,2,0,0,0,0|2,0,0]=4 8990 B15R0.321 CC(C)[C@@H](O)C(=O)NCCCCCCCO 240690a_100011996573_100000691806 [0,2,0,0,0,0|2,0,0]=4 8991 B15R0.321 CCCCCCCCCC(=O)C(C)C(=O)C 1458a_100000210558_100000179758 [0,2,0,0,0,0|1,0,1]=4 8992 B15R0.321 CCCCCCCCCC(=O)C(C)C(C)C 1458a_100000755409_100000210670 [0,2,0,0,0,0|1,0,0]=3 8993 B15R0.321 CCCCCCCCCC(=O)N(C)C(C)C 11a_200000211004_100000210558 [0,2,0,0,0,0|2,0,0]=4 8994 B15R0.321 CCCCCCCCCC(=O)N(C)C(C)C 1626a_200000211004_100000210558 [0,2,0,0,0,0|2,0,0]=4 8995 B15R0.321 CCCCCCCCCC(=O)N(C)C(C)C 240690a_200000211004_100000210558 [0,2,0,0,0,0|2,0,0]=4 8996 B15R0.321 CCCCCCCCCC(=O)N(C)C(C)C 527a_200000211004_100000210558 [0,2,0,0,0,0|2,0,0]=4 8997 B15R0.321 CCCCCCCCCC(=O)[C@H](C)N(C)C 1458a_100009822176_100000210670 [0,2,0,0,0,0|2,0,0]=4 8998 B15R0.321 CCCCCCCCCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000210670 [0,2,0,0,0,0|1,0,0]=3 8999 B15R0.321 CCCCCCCCNC(=O)C(C)C(C)C 11a_100000229939_100000755409 [0,2,0,0,0,0|1,0,0]=3 9000 B15R0.321 CCCCCCCCNC(=O)C(C)C(C)C 1626a_100000229939_100000755409 [0,2,0,0,0,0|1,0,0]=3 9001 B15R0.321 CCCCCCCCNC(=O)C(C)C(C)C 240690a_100000229939_100000755409 [0,2,0,0,0,0|1,0,0]=3 9002 B15R0.321 CCCCCCCCNC(=O)C(C)C(C)C 527a_100000229939_100000755409 [0,2,0,0,0,0|1,0,0]=3 9003 B15R0.321 CCCCCCCCNC(=O)N(C)C(C)C 2708a_100000229939_200000211004 [0,2,0,0,0,0|2,0,0]=4 9004 B15R0.321 CCCCCCCCNC(=O)N(C)C(C)C 273464a_100000229939_200000211004 [0,2,0,0,0,0|2,0,0]=4 9005 B15R0.321 CCCCCCCCNC(=O)[C@H](C)N(C)C 240690a_100000229939_100009822176 [0,2,0,0,0,0|2,0,0]=4 9006 B15R0.321 CCCCCCCCNC(=O)[C@H](C)N(C)C 527a_100000229939_100009822176 [0,2,0,0,0,0|2,0,0]=4 9007 B15R0.321 CCCCCCCCNC(=O)[C@H](O)C(C)C 240690a_100000229939_100000691806 [0,2,0,0,0,0|1,0,0]=3 9008 B15R0.321 CCCCOCCCNC(=O)C(C)C(C)C 1626a_200000211371_100000755409 [0,2,0,0,0,0|2,0,0]=4 9009 B15R0.321 CCCCOCCCNC(=O)C(C)C(C)C 240690a_200000211371_100000755409 [0,2,0,0,0,0|2,0,0]=4 9010 B15R0.321 CCCCOCCCNC(=O)C(C)C(C)C 527a_200000211371_100000755409 [0,2,0,0,0,0|2,0,0]=4 9011 B15R0.321 CCCCOCCCNC(=O)[C@H](O)C(C)C 240690a_200000211371_100000691806 [0,2,0,0,0,0|2,0,0]=4 9012 B15R0.324 C#CC(C)C(=O)COCCCCCCCC 1458a_100000759886_200000035995 [0,2,0,0,0,0|0,0,2]=4 9013 B15R0.324 C#CCCCCCCCCC(=O)C(C)CC 1458a_100000029693_100000758301 [0,2,0,0,0,0|1,0,1]=4 9014 B15R0.324 C=CCCCCCCCCC(=O)C(C)CC 1458a_100000211349_100000758301 [0,2,0,0,0,0|1,0,1]=4 9015 B15R0.324 C=CCCCCCCCCC(=O)C(C)CC 1458a_100011192722_100011933949 [0,2,0,0,0,0|1,0,1]=4 9016 B15R0.324 C=CCCCCCCCCC(=O)C(O)CC 1458a_100011196387_100011933949 [0,2,0,0,0,0|1,0,1]=4 9017 B15R0.324 CC#CCCCCCCCC(=O)C(C)CC 1458a_100000066323_100000758301 [0,2,0,0,0,0|1,0,1]=4 9018 B15R0.324 CCC#CCCCCCCC(=O)C(C)CC 1458a_100011192722_200000036426 [0,2,0,0,0,0|1,0,1]=4 9019 B15R0.324 CCC#CCCCCCCC(=O)C(O)CC 1458a_100011196387_200000036426 [0,2,0,0,0,0|1,0,1]=4 9020 B15R0.324 CCC(C)C(=O)CCCCCCCCCF 1458a_200009909015_100000758301 [0,2,0,0,0,0|1,0,0]=3 9021 B15R0.324 CCC(C)C(=O)CCCCCCCCCO 1458a_100011192722_100009813782 [0,2,0,0,0,0|1,0,0]=3 9022 B15R0.324 CCC(C)C(=O)NCCCCCCCCO 240690a_102515433106_100011192722 [0,2,0,0,0,0|1,0,0]=3 9023 B15R0.324 CCC(C)C(C)OCCCCCCCCO 7a_100011215189_100000033203 [0,2,0,0,0,0|1,0,1]=4 9024 B15R0.324 CCC(O)C(=O)CCCCCCCCCO 1458a_100011196387_100009813782 [0,2,0,0,0,0|1,0,0]=3 9025 B15R0.324 CCC(O)C(=O)NCCCCCCCCO 240690a_102515433106_100011196387 [0,2,0,0,0,0|1,0,0]=3 9026 B15R0.324 CCCCCCCC=NNC(=O)C(C)CC 4a_100000740736_100000210592 [0,2,0,0,0,0|1,0,1]=4 9027 B15R0.324 CCCCCCCCC=CC(=O)C(C)CC 1458a_100015345288_100000758301 [0,2,0,0,0,0|1,0,0]=3 9028 B15R0.324 CCCCCCCCC=CC(=O)N(C)CC 11a_100000225621_100015345288 [0,2,0,0,0,0|2,0,0]=4 9029 B15R0.324 CCCCCCCCC=CC(=O)N(C)CC 1626a_100000225621_100015345288 [0,2,0,0,0,0|2,0,0]=4 9030 B15R0.324 CCCCCCCCC=CC(=O)N(C)CC 240690a_100000225621_100015345288 [0,2,0,0,0,0|2,0,0]=4 9031 B15R0.324 CCCCCCCCCCC(=O)C(C)CC 1458a_100000210375_100000758301 [0,2,0,0,0,0|1,0,0]=3 9032 B15R0.324 CCCCCCCCCCC(=O)C(C)CC 1458a_100011192722_100000210319 [0,2,0,0,0,0|1,0,0]=3 9033 B15R0.324 CCCCCCCCCCC(=O)C(C)OC 1458a_100000743197_100000210319 [0,2,0,0,0,0|2,0,0]=4 9034 B15R0.324 CCCCCCCCCCC(=O)C(C)SC 1458a_100000149566_100000210319 [0,2,0,0,0,0|2,0,0]=4 9035 B15R0.324 CCCCCCCCCCC(=O)C(O)CC 1458a_100011196387_100000210319 [0,2,0,0,0,0|1,0,0]=3 9036 B15R0.324 CCCCCCCCCCC(=O)C(O)CO 1458a_100011215603_100000210319 [0,2,0,0,0,0|2,0,0]=4 9037 B15R0.324 CCCCCCCCCCC(=O)N(C)CC 11a_100000225621_100000210375 [0,2,0,0,0,0|2,0,0]=4 9038 B15R0.324 CCCCCCCCCCC(=O)N(C)CC 1626a_100000225621_100000210375 [0,2,0,0,0,0|2,0,0]=4 9039 B15R0.324 CCCCCCCCCCC(=O)N(C)CC 240690a_100000225621_100000210375 [0,2,0,0,0,0|2,0,0]=4 9040 B15R0.324 CCCCCCCCCNC(=O)C(C)CC 11a_100000212291_100011192722 [0,2,0,0,0,0|1,0,0]=3 9041 B15R0.324 CCCCCCCCCNC(=O)C(C)CC 1626a_100000212291_100011192722 [0,2,0,0,0,0|1,0,0]=3 9042 B15R0.324 CCCCCCCCCNC(=O)C(C)CC 240690a_100000212291_100011192722 [0,2,0,0,0,0|1,0,0]=3 9043 B15R0.324 CCCCCCCCCNC(=O)C(C)CC 527a_100000212291_100011192722 [0,2,0,0,0,0|1,0,0]=3 9044 B15R0.324 CCCCCCCCCNC(=O)C(C)OC 11a_100000212291_100000743197 [0,2,0,0,0,0|2,0,0]=4 9045 B15R0.324 CCCCCCCCCNC(=O)C(C)OC 1626a_100000212291_100000743197 [0,2,0,0,0,0|2,0,0]=4 9046 B15R0.324 CCCCCCCCCNC(=O)C(C)OC 240690a_100000212291_100000743197 [0,2,0,0,0,0|2,0,0]=4 9047 B15R0.324 CCCCCCCCCNC(=O)C(C)OC 527a_100000212291_100000743197 [0,2,0,0,0,0|2,0,0]=4 9048 B15R0.324 CCCCCCCCCNC(=O)C(C)SC 11a_100000212291_100000149566 [0,2,0,0,0,0|2,0,0]=4 9049 B15R0.324 CCCCCCCCCNC(=O)C(C)SC 1626a_100000212291_100000149566 [0,2,0,0,0,0|2,0,0]=4 9050 B15R0.324 CCCCCCCCCNC(=O)C(C)SC 240690a_100000212291_100000149566 [0,2,0,0,0,0|2,0,0]=4 9051 B15R0.324 CCCCCCCCCNC(=O)C(C)SC 527a_100000212291_100000149566 [0,2,0,0,0,0|2,0,0]=4 9052 B15R0.324 CCCCCCCCCNC(=O)C(O)CC 240690a_100000212291_100011196387 [0,2,0,0,0,0|1,0,0]=3 9053 B15R0.324 CCCCCCCCCNC(=O)C(O)CO 240690a_100000212291_100011215603 [0,2,0,0,0,0|2,0,0]=4 9054 B15R0.324 CCCCCCCCCNC(=O)N(C)CC 2708a_100000212291_100000225621 [0,2,0,0,0,0|2,0,0]=4 9055 B15R0.324 CCCCCCCCCNC(=O)N(C)CC 273464a_100000212291_100000225621 [0,2,0,0,0,0|2,0,0]=4 9056 B15R0.324 CCCCCCCCCOC(C)C(C)CC 7a_100011215189_100000210328 [0,2,0,0,0,0|1,0,1]=4 9057 B15R0.324 CCCCCCCCNCC(=O)N(C)CC 2230a_100000229939_100000738999 [0,2,0,0,0,0|2,0,0]=4 9058 B15R0.324 CCCCCCCCNCC(=O)N(C)CC 34a_100000229939_100000738999 [0,2,0,0,0,0|2,0,0]=4 9059 B15R0.324 CCCCCCCCOCC(=O)C(=O)OC 34a_100000210232_100011610305 [0,2,0,0,0,0|1,0,1]=4 9060 B15R0.324 CCCCCCCCOCC(=O)C(C)C#N 1458a_100000759886_100000703298 [0,2,0,0,0,0|1,0,1]=4 9061 B15R0.324 CCCCCCCCOCC(=O)C(C)CC 1458a_100000759886_100000758301 [0,2,0,0,0,0|0,0,0]=2 9062 B15R0.324 CCCCCCCCOCC(=O)N(C)CC 11a_100000225621_100000759886 [0,2,0,0,0,0|1,0,0]=3 9063 B15R0.324 CCCCCCCCOCC(=O)N(C)CC 1626a_100000225621_100000759886 [0,2,0,0,0,0|1,0,0]=3 9064 B15R0.324 CCCCCCCCOCC(=O)N(C)CC 240690a_100000225621_100000759886 [0,2,0,0,0,0|1,0,0]=3 9065 B15R0.324 CCCCCCCCOCC(=O)N(C)CC 34a_100000210232_100000738999 [0,2,0,0,0,0|1,0,0]=3 9066 B15R0.324 CCCCCCCCOCC(=O)N(C)CC 527a_100000225621_100000759886 [0,2,0,0,0,0|1,0,0]=3 9067 B15R0.324 CCCCCCCCOCC(=O)N(C)CC 7a_100000210232_100000738999 [0,2,0,0,0,0|1,0,0]=3 9068 B15R0.324 CCCCCCCCOCC(=O)N(C)OC 7a_100000210232_100000764215 [0,2,0,0,0,0|2,0,0]=4 9069 B15R0.324 CCCCCCCCSCC(=O)N(C)CC 62a_100000210759_100000738999 [0,2,0,0,0,0|1,1,0]=4 9070 B15R0.324 CCCCCCCCSCC(=O)N(C)CC 62a_100000738999_100000210317 [0,2,0,0,0,0|1,1,0]=4 9071 B15R0.324 CCCCCNCCOCC(=O)N(C)CC 34a_100000224656_100000738999 [0,2,0,0,0,0|2,0,0]=4 9072 B15R0.324 CCCCCOCCOCC(=O)N(C)CC 34a_100011215259_100000738999 [0,2,0,0,0,0|2,0,0]=4 9073 B15R0.324 CCCCCOCCOCC(=O)N(C)CC 7a_100011215259_100000738999 [0,2,0,0,0,0|2,0,0]=4 9074 B15R0.324 CCCCOCCCOCC(=O)N(C)CC 34a_200011215613_100000738999 [0,2,0,0,0,0|2,0,0]=4 9075 B15R0.324 CCCCOCCCOCC(=O)N(C)CC 7a_200011215613_100000738999 [0,2,0,0,0,0|2,0,0]=4 9076 B15R0.324 CCCOCCOCCNC(=O)C(C)CC 11a_200011904461_100011192722 [0,2,0,0,0,0|2,0,0]=4 9077 B15R0.324 CCCOCCOCCNC(=O)C(C)CC 1626a_200011904461_100011192722 [0,2,0,0,0,0|2,0,0]=4 9078 B15R0.324 CCCOCCOCCNC(=O)C(C)CC 240690a_200011904461_100011192722 [0,2,0,0,0,0|2,0,0]=4 9079 B15R0.324 CCCOCCOCCNC(=O)C(O)CC 240690a_200011904461_100011196387 [0,2,0,0,0,0|2,0,0]=4 9080 B15R0.324 CCN(C)C(=O)CCCCCCCCCF 11a_100000225621_200009909015 [0,2,0,0,0,0|2,0,0]=4 9081 B15R0.324 CCN(C)C(=O)CCCCCCCCCF 240690a_100000225621_200009909015 [0,2,0,0,0,0|2,0,0]=4 9082 B15R0.324 CCN(C)C(=O)CCCCCCCCCF 527a_100000225621_200009909015 [0,2,0,0,0,0|2,0,0]=4 9083 B15R0.324 CCN(C)C(=O)CCCCCCCCCO 240690a_100000225621_100000032657 [0,2,0,0,0,0|2,0,0]=4 9084 B15R0.324 CCN(C)C(=O)COCCCCCCCBr 34a_100000760002_100000738999 [0,2,0,0,0,0|2,0,0]=4 9085 B15R0.324 CCN(C)C(=O)COCCCCCCCBr 7a_100000760002_100000738999 [0,2,0,0,0,0|2,0,0]=4 9086 B15R0.324 CCN(C)C(=O)COCCCCCCCN 34a_100011996573_100000738999 [0,2,0,0,0,0|2,0,0]=4 9087 B15R0.324 CCN(C)C(=O)COCCCCCCOC 34a_200012092642_100000738999 [0,2,0,0,0,0|2,0,0]=4 9088 B15R0.324 CCN(C)C(=O)COCCCCCCOC 7a_200012092642_100000738999 [0,2,0,0,0,0|2,0,0]=4 9089 B15R0.324 CCN(C)C(=O)NCCCCCCCCO 2708a_102515433106_100000225621 [0,2,0,0,0,0|2,0,0]=4 9090 B15R0.324 CCN(C)C(=O)NCCCCCCCCO 273464a_102515433106_100000225621 [0,2,0,0,0,0|2,0,0]=4 9091 B15R0.324 COC(C)C(=O)CCCCCCCCCO 1458a_100000743197_100009813782 [0,2,0,0,0,0|2,0,0]=4 9092 B15R0.324 COC(C)C(=O)NCCCCCCCCO 240690a_102515433106_100000743197 [0,2,0,0,0,0|2,0,0]=4 9093 B15R0.324 CSC(C)C(=O)CCCCCCCCCO 1458a_100000149566_100009813782 [0,2,0,0,0,0|2,0,0]=4 9094 B15R0.324 CSC(C)C(=O)NCCCCCCCCO 240690a_102515433106_100000149566 [0,2,0,0,0,0|2,0,0]=4 9095 B15R0.324 O=C(CCCCCCCCCO)C(O)CO 1458a_100011215603_100009813782 [0,2,0,0,0,0|2,0,0]=4 9096 B15R0.324 O=C(NCCCCCCCCO)C(O)CO 240690a_102515433106_100011215603 [0,2,0,0,0,0|2,0,0]=4 9097 B15R0.1698 CC(C)CCCCCCNC(=O)C(O)CO 240690a_100000211014_100011215603 [0,2,0,0,0,0|2,0,0]=4 9098 B15R0.1698 CCC(C)C(=O)NCCCCCCC(C)C 11a_100000211014_100011192722 [0,2,0,0,0,0|1,0,0]=3 9099 B15R0.1698 CCC(C)C(=O)NCCCCCCC(C)C 1626a_100000211014_100011192722 [0,2,0,0,0,0|1,0,0]=3 9100 B15R0.1698 CCC(C)C(=O)NCCCCCCC(C)C 240690a_100000211014_100011192722 [0,2,0,0,0,0|1,0,0]=3 9101 B15R0.1698 CCC(C)C(=O)NCCCCCCC(C)C 527a_100000211014_100011192722 [0,2,0,0,0,0|1,0,0]=3 9102 B15R0.1698 CCC(C)C(=O)NCCCCCCN(C)C 240690a_200011233508_100011192722 [0,2,0,0,0,0|2,0,0]=4 9103 B15R0.1698 CCC(O)C(=O)NCCCCCCC(C)C 240690a_100000211014_100011196387 [0,2,0,0,0,0|1,0,0]=3 9104 B15R0.1698 CCC(O)C(=O)NCCCCCCN(C)C 240690a_200011233508_100011196387 [0,2,0,0,0,0|2,0,0]=4 9105 B15R0.1698 CCN(C)C(=O)NCCCCCCC(C)C 2708a_100000211014_100000225621 [0,2,0,0,0,0|2,0,0]=4 9106 B15R0.1698 CCN(C)C(=O)NCCCCCCC(C)C 273464a_100000211014_100000225621 [0,2,0,0,0,0|2,0,0]=4 9107 B15R0.1698 COC(C)C(=O)NCCCCCCC(C)C 11a_100000211014_100000743197 [0,2,0,0,0,0|2,0,0]=4 9108 B15R0.1698 COC(C)C(=O)NCCCCCCC(C)C 1626a_100000211014_100000743197 [0,2,0,0,0,0|2,0,0]=4 9109 B15R0.1698 COC(C)C(=O)NCCCCCCC(C)C 240690a_100000211014_100000743197 [0,2,0,0,0,0|2,0,0]=4 9110 B15R0.1698 COC(C)C(=O)NCCCCCCC(C)C 527a_100000211014_100000743197 [0,2,0,0,0,0|2,0,0]=4 9111 B15R0.1698 CSC(C)C(=O)NCCCCCCC(C)C 11a_100000211014_100000149566 [0,2,0,0,0,0|2,0,0]=4 9112 B15R0.1698 CSC(C)C(=O)NCCCCCCC(C)C 1626a_100000211014_100000149566 [0,2,0,0,0,0|2,0,0]=4 9113 B15R0.1698 CSC(C)C(=O)NCCCCCCC(C)C 240690a_100000211014_100000149566 [0,2,0,0,0,0|2,0,0]=4 9114 B15R0.1698 CSC(C)C(=O)NCCCCCCC(C)C 527a_100000211014_100000149566 [0,2,0,0,0,0|2,0,0]=4 9115 B15R0.2012 CCC(C)(C)C(=O)CCCCCCCCO 1458a_100000749717_100000033203 [0,2,0,0,0,0|2,0,0]=4 9116 B15R0.2012 CCC(C)(C)C(=O)NCCCCCCCO 240690a_100011996573_100000749717 [0,2,0,0,0,0|2,0,0]=4 9117 B15R0.2012 CCC(C)(O)C(=O)CCCCCCCCO 1458a_100011219770_100000033203 [0,2,0,0,0,0|2,0,0]=4 9118 B15R0.2012 CCC(C)(O)C(=O)NCCCCCCCO 240690a_100011996573_100011219770 [0,2,0,0,0,0|2,0,0]=4 9119 B15R0.2012 CCC(F)(F)C(=O)CCCCCCCCO 1458a_100000061896_100000033203 [0,2,0,0,0,0|2,0,0]=4 9120 B15R0.2012 CCC(F)(F)C(=O)NCCCCCCCO 240690a_100011996573_100000061896 [0,2,0,0,0,0|2,0,0]=4 9121 B15R0.2012 CCCCCCCCCC(=O)C(C)(C)CC 1458a_100000749717_100000210670 [0,2,0,0,0,0|1,0,0]=3 9122 B15R0.2012 CCCCCCCCCC(=O)C(C)(C)CF 1458a_100000138116_100000210670 [0,2,0,0,0,0|2,0,0]=4 9123 B15R0.2012 CCCCCCCCCC(=O)C(C)(C)CO 1458a_100000749806_100000210670 [0,2,0,0,0,0|2,0,0]=4 9124 B15R0.2012 CCCCCCCCCC(=O)C(C)(C)OC 1458a_100000753492_100000210670 [0,2,0,0,0,0|2,0,0]=4 9125 B15R0.2012 CCCCCCCCCC(=O)C(C)(O)CC 1458a_100011219770_100000210670 [0,2,0,0,0,0|1,0,0]=3 9126 B15R0.2012 CCCCCCCCCC(=O)C(F)(F)CC 1458a_100000061896_100000210670 [0,2,0,0,0,0|1,0,0]=3 9127 B15R0.2012 CCCCCCCCNC(=O)C(C)(C)CC 11a_100000229939_100000749717 [0,2,0,0,0,0|1,0,0]=3 9128 B15R0.2012 CCCCCCCCNC(=O)C(C)(C)CC 1626a_100000229939_100000749717 [0,2,0,0,0,0|1,0,0]=3 9129 B15R0.2012 CCCCCCCCNC(=O)C(C)(C)CC 240690a_100000229939_100000749717 [0,2,0,0,0,0|1,0,0]=3 9130 B15R0.2012 CCCCCCCCNC(=O)C(C)(C)CC 527a_100000229939_100000749717 [0,2,0,0,0,0|1,0,0]=3 9131 B15R0.2012 CCCCCCCCNC(=O)C(C)(C)CF 11a_100000229939_100000138116 [0,2,0,0,0,0|2,0,0]=4 9132 B15R0.2012 CCCCCCCCNC(=O)C(C)(C)CF 1626a_100000229939_100000138116 [0,2,0,0,0,0|2,0,0]=4 9133 B15R0.2012 CCCCCCCCNC(=O)C(C)(C)CF 240690a_100000229939_100000138116 [0,2,0,0,0,0|2,0,0]=4 9134 B15R0.2012 CCCCCCCCNC(=O)C(C)(C)CF 527a_100000229939_100000138116 [0,2,0,0,0,0|2,0,0]=4 9135 B15R0.2012 CCCCCCCCNC(=O)C(C)(C)CO 1626a_100000229939_100000749806 [0,2,0,0,0,0|2,0,0]=4 9136 B15R0.2012 CCCCCCCCNC(=O)C(C)(C)CO 240690a_100000229939_100000749806 [0,2,0,0,0,0|2,0,0]=4 9137 B15R0.2012 CCCCCCCCNC(=O)C(C)(C)CO 527a_100000229939_100000749806 [0,2,0,0,0,0|2,0,0]=4 9138 B15R0.2012 CCCCCCCCNC(=O)C(C)(C)OC 11a_100000229939_100000753492 [0,2,0,0,0,0|2,0,0]=4 9139 B15R0.2012 CCCCCCCCNC(=O)C(C)(C)OC 1626a_100000229939_100000753492 [0,2,0,0,0,0|2,0,0]=4 9140 B15R0.2012 CCCCCCCCNC(=O)C(C)(C)OC 240690a_100000229939_100000753492 [0,2,0,0,0,0|2,0,0]=4 9141 B15R0.2012 CCCCCCCCNC(=O)C(C)(C)OC 527a_100000229939_100000753492 [0,2,0,0,0,0|2,0,0]=4 9142 B15R0.2012 CCCCCCCCNC(=O)C(C)(O)CC 240690a_100000229939_100011219770 [0,2,0,0,0,0|1,0,0]=3 9143 B15R0.2012 CCCCCCCCNC(=O)C(F)(F)CC 11a_100000229939_100000061896 [0,2,0,0,0,0|1,0,0]=3 9144 B15R0.2012 CCCCCCCCNC(=O)C(F)(F)CC 1626a_100000229939_100000061896 [0,2,0,0,0,0|1,0,0]=3 9145 B15R0.2012 CCCCCCCCNC(=O)C(F)(F)CC 240690a_100000229939_100000061896 [0,2,0,0,0,0|1,0,0]=3 9146 B15R0.2012 CCCCCCCCNC(=O)C(F)(F)CC 527a_100000229939_100000061896 [0,2,0,0,0,0|1,0,0]=3 9147 B15R0.2012 CCCCOCCCNC(=O)C(C)(C)CC 1626a_200000211371_100000749717 [0,2,0,0,0,0|2,0,0]=4 9148 B15R0.2012 CCCCOCCCNC(=O)C(C)(C)CC 240690a_200000211371_100000749717 [0,2,0,0,0,0|2,0,0]=4 9149 B15R0.2012 CCCCOCCCNC(=O)C(C)(C)CC 527a_200000211371_100000749717 [0,2,0,0,0,0|2,0,0]=4 9150 B15R0.2012 CCCCOCCCNC(=O)C(C)(O)CC 240690a_200000211371_100011219770 [0,2,0,0,0,0|2,0,0]=4 9151 B15R0.2012 CCCCOCCCNC(=O)C(F)(F)CC 1626a_200000211371_100000061896 [0,2,0,0,0,0|2,0,0]=4 9152 B15R0.2012 CCCCOCCCNC(=O)C(F)(F)CC 240690a_200000211371_100000061896 [0,2,0,0,0,0|2,0,0]=4 9153 B15R0.2012 CCCCOCCCNC(=O)C(F)(F)CC 527a_200000211371_100000061896 [0,2,0,0,0,0|2,0,0]=4 9154 B15R0.2208 CCCCCC(O)CCCC(=O)N(C)CC 1626a_100000225621_100020618878 [0,2,0,0,0,0|2,0,0]=4 9155 B15R0.2208 CCCCCC(O)CCCC(=O)N(C)CC 240690a_100000225621_100020618878 [0,2,0,0,0,0|2,0,0]=4 9156 B15R0.2208 CCCCCC(O)CCCC(=O)N(C)CC 527a_100000225621_100020618878 [0,2,0,0,0,0|2,0,0]=4 9157 B15R0.3224 CCC(CC)C(=O)CCCCCCCCO 1458a_100000211163_100000033203 [0,2,0,0,0,0|2,0,0]=4 9158 B15R0.3224 CCC(CC)C(=O)NCCCCCCCO 240690a_100011996573_100000211163 [0,2,0,0,0,0|2,0,0]=4 9159 B15R0.3224 CCC(CC)C(=O)OCNCCCCCO 2230a_100000762737_100000140015 [0,2,0,0,0,0|2,0,0]=4 9160 B15R0.3224 CCC(CC)C(=O)OCNCCCCCO 34a_100000762737_100000140015 [0,2,0,0,0,0|2,0,0]=4 9161 B15R0.3224 CCC(CC)C(=O)OCOCCCCCBr 34a_100000746331_100000140015 [0,2,0,0,0,0|2,0,0]=4 9162 B15R0.3224 CCC(CC)C(=O)OCOCCCCCBr 7a_100000746331_100000140015 [0,2,0,0,0,0|2,0,0]=4 9163 B15R0.3224 CCC(CC)C(=O)OCOCCCCCCl 34a_100000746330_100000140015 [0,2,0,0,0,0|2,0,0]=4 9164 B15R0.3224 CCC(CC)C(=O)OCOCCCCCCl 7a_100000746330_100000140015 [0,2,0,0,0,0|2,0,0]=4 9165 B15R0.3224 CCC(CC)C(=O)OCOCCCCCI 34a_200012148887_100000140015 [0,2,0,0,0,0|2,0,0]=4 9166 B15R0.3224 CCC(CC)C(=O)OCOCCCCCI 7a_200012148887_100000140015 [0,2,0,0,0,0|2,0,0]=4 9167 B15R0.3224 CCC(CC)C(=O)OCOCCCCCN 34a_100000762737_100000140015 [0,2,0,0,0,0|2,0,0]=4 9168 B15R0.3224 CCC(CC)C(=O)OCOCCCCOC 34a_100000740925_100000140015 [0,2,0,0,0,0|2,0,0]=4 9169 B15R0.3224 CCC(CC)C(=O)OCOCCCCSC 34a_100011217163_100000140015 [0,2,0,0,0,0|2,0,0]=4 9170 B15R0.3224 CCC(CC)C(=O)OCOCCCCSC 7a_100011217163_100000140015 [0,2,0,0,0,0|2,0,0]=4 9171 B15R0.3224 CCC(CC)C(=O)OCSCCCCCF 62a_100000140015_100000729378 [0,2,0,0,0,0|2,0,0]=4 9172 B15R0.3224 CCC(CC)C(=O)OCSCCCCCF 62a_100000729378_100000140015 [0,2,0,0,0,0|2,0,0]=4 9173 B15R0.3224 CCC(CC)C(=O)OCSCCCCCO 62a_100000140015_100000746330 [0,2,0,0,0,0|2,0,0]=4 9174 B15R0.3224 CCC(CC)C(=O)OCSCCCCCO 62a_100000746330_100000140015 [0,2,0,0,0,0|2,0,0]=4 9175 B15R0.3224 CCC(CC)C(=O)OCSCCCCOC 62a_100000140015_100000730899 [0,2,0,0,0,0|2,0,0]=4 9176 B15R0.3224 CCC(CC)C(=O)OCSCCCCOC 62a_100000730899_100000140015 [0,2,0,0,0,0|2,0,0]=4 9177 B15R0.3224 CCC(OC)C(=O)CCCCCCCCO 1458a_100000747056_100000033203 [0,2,0,0,0,0|2,0,0]=4 9178 B15R0.3224 CCC(OC)C(=O)NCCCCCCCO 240690a_100011996573_100000747056 [0,2,0,0,0,0|2,0,0]=4 9179 B15R0.3224 CCCCCCCC=CC(=O)C(CC)CC 1458a_200015332781_100000210505 [0,2,0,0,0,0|1,0,1]=4 9180 B15R0.3224 CCCCCCCCCC(=O)C(CC)CC 1458a_100000210558_100000210505 [0,2,0,0,0,0|1,0,0]=3 9181 B15R0.3224 CCCCCCCCCC(=O)C(CC)CC 1458a_100000211163_100000210670 [0,2,0,0,0,0|1,0,0]=3 9182 B15R0.3224 CCCCCCCCCC(=O)C(CC)OC 1458a_100000747056_100000210670 [0,2,0,0,0,0|1,0,0]=3 9183 B15R0.3224 CCCCCCCCCC(=O)C(OC)OC 1458a_100000046285_100000210670 [0,2,0,0,0,0|2,0,0]=4 9184 B15R0.3224 CCCCCCCCCC(=O)N(CC)CC 11a_100000724800_100000210558 [0,2,0,0,0,0|2,0,0]=4 9185 B15R0.3224 CCCCCCCCCC(=O)N(CC)CC 1626a_100000724800_100000210558 [0,2,0,0,0,0|2,0,0]=4 9186 B15R0.3224 CCCCCCCCCC(=O)N(CC)CC 240690a_100000724800_100000210558 [0,2,0,0,0,0|2,0,0]=4 9187 B15R0.3224 CCCCCCCCCC(=O)N(CC)CC 527a_100000724800_100000210558 [0,2,0,0,0,0|2,0,0]=4 9188 B15R0.3224 CCCCCCCCNC(=O)C(CC)CC 11a_100000229939_100000211163 [0,2,0,0,0,0|1,0,0]=3 9189 B15R0.3224 CCCCCCCCNC(=O)C(CC)CC 1626a_100000229939_100000211163 [0,2,0,0,0,0|1,0,0]=3 9190 B15R0.3224 CCCCCCCCNC(=O)C(CC)CC 240690a_100000229939_100000211163 [0,2,0,0,0,0|1,0,0]=3 9191 B15R0.3224 CCCCCCCCNC(=O)C(CC)CC 527a_100000229939_100000211163 [0,2,0,0,0,0|1,0,0]=3 9192 B15R0.3224 CCCCCCCCNC(=O)C(CC)OC 11a_100000229939_100000747056 [0,2,0,0,0,0|1,0,0]=3 9193 B15R0.3224 CCCCCCCCNC(=O)C(CC)OC 1626a_100000229939_100000747056 [0,2,0,0,0,0|1,0,0]=3 9194 B15R0.3224 CCCCCCCCNC(=O)C(CC)OC 240690a_100000229939_100000747056 [0,2,0,0,0,0|1,0,0]=3 9195 B15R0.3224 CCCCCCCCNC(=O)C(CC)OC 527a_100000229939_100000747056 [0,2,0,0,0,0|1,0,0]=3 9196 B15R0.3224 CCCCCCCCNC(=O)C(OC)OC 11a_100000229939_100000046285 [0,2,0,0,0,0|2,0,0]=4 9197 B15R0.3224 CCCCCCCCNC(=O)C(OC)OC 240690a_100000229939_100000046285 [0,2,0,0,0,0|2,0,0]=4 9198 B15R0.3224 CCCCCCCCNC(=O)C(OC)OC 527a_100000229939_100000046285 [0,2,0,0,0,0|2,0,0]=4 9199 B15R0.3224 CCCCCCCCNC(=O)N(CC)CC 2708a_100000229939_100000724800 [0,2,0,0,0,0|2,0,0]=4 9200 B15R0.3224 CCCCCCCCNC(=O)N(CC)CC 273464a_100000229939_100000724800 [0,2,0,0,0,0|2,0,0]=4 9201 B15R0.3224 CCCCCCNCOC(=O)C(CC)CC 2230a_100000210581_100000140015 [0,2,0,0,0,0|1,0,0]=3 9202 B15R0.3224 CCCCCCNCOC(=O)N(CC)CC 2230a_100000210581_100000140013 [0,2,0,0,0,0|2,0,0]=4 9203 B15R0.3224 CCCCCCOCOC(=O)C(CC)CC 34a_100000210259_100000140015 [0,2,0,0,0,0|1,0,0]=3 9204 B15R0.3224 CCCCCCOCOC(=O)C(CC)CC 7a_100000210259_100000140015 [0,2,0,0,0,0|1,0,0]=3 9205 B15R0.3224 CCCCCCOCOC(=O)N(CC)CC 7a_100000210259_100000140013 [0,2,0,0,0,0|2,0,0]=4 9206 B15R0.3224 CCCCCCSCOC(=O)C(CC)CC 62a_100000140015_100000210757 [0,2,0,0,0,0|1,0,0]=3 9207 B15R0.3224 CCCCCCSCOC(=O)C(CC)CC 62a_100000210314_100000140015 [0,2,0,0,0,0|1,0,0]=3 9208 B15R0.3224 CCCCCCSCOC(=O)N(CC)CC 62a_100000210314_100000140013 [0,2,0,0,0,0|2,0,0]=4 9209 B15R0.3224 CCCCNCCCNC(=O)C(CC)CC 2230a_100000102301_100011258378 [0,2,0,0,0,0|2,0,0]=4 9210 B15R0.3224 CCCCNCCCNC(=O)C(CC)CC 7a_106832991798_100011258378 [0,2,0,0,0,0|2,0,0]=4 9211 B15R0.3224 CCCCOCCCNC(=O)C(CC)CC 1626a_200000211371_100000211163 [0,2,0,0,0,0|2,0,0]=4 9212 B15R0.3224 CCCCOCCCNC(=O)C(CC)CC 240690a_200000211371_100000211163 [0,2,0,0,0,0|2,0,0]=4 9213 B15R0.3224 CCCCOCCCNC(=O)C(CC)CC 527a_200000211371_100000211163 [0,2,0,0,0,0|2,0,0]=4 9214 B15R0.3224 CCCCOCCCNC(=O)C(CC)CC 7a_100000210227_100011258378 [0,2,0,0,0,0|2,0,0]=4 9215 B15R0.3224 CCCCOCCCNC(=O)C(CC)OC 1626a_200000211371_100000747056 [0,2,0,0,0,0|2,0,0]=4 9216 B15R0.3224 CCCCOCCCNC(=O)C(CC)OC 240690a_200000211371_100000747056 [0,2,0,0,0,0|2,0,0]=4 9217 B15R0.3224 CCCCOCCCNC(=O)C(CC)OC 527a_200000211371_100000747056 [0,2,0,0,0,0|2,0,0]=4 9218 B15R0.3224 CCCCOCSCOC(=O)C(CC)CC 62a_100000140015_100011995733 [0,2,0,0,0,0|2,0,0]=4 9219 B15R0.3224 CCCCOCSCOC(=O)C(CC)CC 62a_100011995733_100000140015 [0,2,0,0,0,0|2,0,0]=4 9220 B15R0.3224 CCCCSCCCNC(=O)C(CC)CC 62a_100000210211_100011258378 [0,2,0,0,0,0|2,0,0]=4 9221 B15R0.3224 CCCCSCCCNC(=O)C(CC)CC 62a_100011258378_100000210210 [0,2,0,0,0,0|2,0,0]=4 9222 B15R0.3224 CCCOCCNCOC(=O)C(CC)CC 2230a_100161115042_100000140015 [0,2,0,0,0,0|2,0,0]=4 9223 B15R0.3224 CCCOCCNCOC(=O)C(CC)CC 34a_100161115042_100000140015 [0,2,0,0,0,0|2,0,0]=4 9224 B15R0.3224 CCCOCCOCOC(=O)C(CC)CC 34a_100000752267_100000140015 [0,2,0,0,0,0|2,0,0]=4 9225 B15R0.3224 CCCOCCOCOC(=O)C(CC)CC 7a_100000752267_100000140015 [0,2,0,0,0,0|2,0,0]=4 9226 B15R0.3224 CCCOCCSCOC(=O)C(CC)CC 62a_100000140015_100011215938 [0,2,0,0,0,0|2,0,0]=4 9227 B15R0.3224 CCCOCCSCOC(=O)C(CC)CC 62a_100011215938_100000140015 [0,2,0,0,0,0|2,0,0]=4 9228 B15R0.3224 CCCSCCNCOC(=O)C(CC)CC 2230a_100020603323_100000140015 [0,2,0,0,0,0|2,0,0]=4 9229 B15R0.3224 CCCSCCOCOC(=O)C(CC)CC 34a_200000230433_100000140015 [0,2,0,0,0,0|2,0,0]=4 9230 B15R0.3224 CCCSCCOCOC(=O)C(CC)CC 7a_200000230433_100000140015 [0,2,0,0,0,0|2,0,0]=4 9231 B15R0.3224 CCOCCCNCOC(=O)C(CC)CC 2230a_100000210961_100000140015 [0,2,0,0,0,0|2,0,0]=4 9232 B15R0.3224 CCOCCCNCOC(=O)C(CC)CC 34a_100000210961_100000140015 [0,2,0,0,0,0|2,0,0]=4 9233 B15R0.3224 CCOCCCOCOC(=O)C(CC)CC 34a_100000757476_100000140015 [0,2,0,0,0,0|2,0,0]=4 9234 B15R0.3224 CCOCCCOCOC(=O)C(CC)CC 7a_100000757476_100000140015 [0,2,0,0,0,0|2,0,0]=4 9235 B15R0.3224 CCOCCCSCOC(=O)C(CC)CC 62a_100000140015_100012232248 [0,2,0,0,0,0|2,0,0]=4 9236 B15R0.3224 CCOCCCSCOC(=O)C(CC)CC 62a_100012232248_100000140015 [0,2,0,0,0,0|2,0,0]=4 9237 B15R0.3224 CCSCCCOCOC(=O)C(CC)CC 34a_100011216438_100000140015 [0,2,0,0,0,0|2,0,0]=4 9238 B15R0.3224 CCSCCCOCOC(=O)C(CC)CC 7a_100011216438_100000140015 [0,2,0,0,0,0|2,0,0]=4 9239 B15R0.5057 CCCCCCCCNS(=O)(=O)C(C)CC 270084a_100000229939_100000685195 [0,2,0,0,0,0|2,0,0]=4 9240 B15R0.5057 CCCCCCCCNS(=O)(=O)C(C)CC 274078a_100000229939_100000685195 [0,2,0,0,0,0|2,0,0]=4 9241 B15R0.136 C#CCCCCCC(=O)COC(=O)CCC 1458a_100000694772_100000034017 [0,2,0,0,0,0|0,0,2]=4 9242 B15R0.136 C=CCCCCCC(=O)COC(=O)CCC 1458a_100011934241_100000034017 [0,2,0,0,0,0|0,0,2]=4 9243 B15R0.136 CCCC(=O)OCC(=O)CCCCCCO 1458a_100011996774_100000034017 [0,2,0,0,0,0|0,0,1]=3 9244 B15R0.136 CCCC(=O)OCC(=O)CCCCCOC 1458a_100011935119_100000034017 [0,2,0,0,0,0|0,0,1]=3 9245 B15R0.136 CCCC(=O)OCC(=O)CCOCCOC 1458a_100000745395_100000034017 [0,2,0,0,0,0|1,0,1]=4 9246 B15R0.136 CCCC/C=C/CC(=O)COC(=O)CCC 1458a_200016282684_100000034017 [0,2,0,0,0,0|0,0,2]=4 9247 B15R0.136 CCCCCC#CC(=O)COC(=O)CCC 1458a_100011215388_100000034017 [0,2,0,0,0,0|0,0,2]=4 9248 B15R0.136 CCCCCC=CC(=O)COC(=O)CCC 1458a_100016263427_100000034017 [0,2,0,0,0,0|0,0,2]=4 9249 B15R0.136 CCCCCCCC(=NNC(=O)CCC)C 4a_100000189770_100000210596 [0,2,0,0,0,0|1,0,1]=4 9250 B15R0.136 CCCCCCCC(=O)CCC(=O)NCC 1458a_100000199579_100000210614 [0,2,0,0,0,0|2,0,0]=4 9251 B15R0.136 CCCCCCCC(=O)CCC(=O)OCC 1458a_100000183558_100000210614 [0,2,0,0,0,0|2,0,0]=4 9252 B15R0.136 CCCCCCCC(=O)CNC(=O)OCC 1458a_100000190774_100000210614 [0,2,0,0,0,0|2,0,0]=4 9253 B15R0.136 CCCCCCCC(=O)COC(=O)CCC 1458a_100000211969_100000034017 [0,2,0,0,0,0|0,0,0]=2 9254 B15R0.136 CCCCCCCC(=O)NCC(=O)CCC 1458a_100000691742_100000210303 [0,2,0,0,0,0|1,0,1]=4 9255 B15R0.136 CCCCCCCC(=O)NNC(=O)CCC 22a_100000181853_100000211992 [0,2,0,0,0,0|1,0,1]=4 9256 B15R0.136 CCCCCCCC(=O)NNC(=O)CCC 22a_100000189770_100000211969 [0,2,0,0,0,0|1,0,1]=4 9257 B15R0.136 CCCCCCCC(=O)OCC(=O)CCC 1458a_100000211992_100009852258 [0,2,0,0,0,0|0,0,1]=3 9258 B15R0.136 CCCCCCCC(=O)OCC(=O)CCO 1458a_100011216618_100009852258 [0,2,0,0,0,0|1,0,1]=4 9259 B15R0.136 CCCCCCCC(=O)OCC(=O)COC 1458a_100000210968_100009852258 [0,2,0,0,0,0|1,0,1]=4 9260 B15R0.136 CCCCCCCC(=O)OCC(=O)CSC 1458a_100000184570_100009852258 [0,2,0,0,0,0|1,0,1]=4 9261 B15R0.136 CCCCCCCC(C)NCC(=O)NCC 2230a_100016988866_200011218727 [0,2,0,0,0,0|2,0,0]=4 9262 B15R0.136 CCCCCCCC(C)NCC(=O)NCC 270004a_100016988866_100000210596 [0,2,0,0,0,0|2,0,0]=4 9263 B15R0.136 CCCCCCCC(C)OCC(=O)CCC 7a_200011215852_100000747444 [0,2,0,0,0,0|0,0,0]=2 9264 B15R0.136 CCCCCCCC(C)OCC(=O)NCC 34a_200011215852_100000183381 [0,2,0,0,0,0|1,0,0]=3 9265 B15R0.136 CCCCCCCC(C)OCC(=O)NCC 7a_200011215852_100000183381 [0,2,0,0,0,0|1,0,0]=3 9266 B15R0.136 CCCCCCCC(C)OCC(=O)NCO 34a_200011215852_100000185155 [0,2,0,0,0,0|2,0,0]=4 9267 B15R0.136 CCCCCCCC(C)OCC(=O)NCO 7a_200011215852_100000185155 [0,2,0,0,0,0|2,0,0]=4 9268 B15R0.136 CCCCCCCC(C)OCC(=O)OCC 34a_200011215852_100000188475 [0,2,0,0,0,0|1,0,0]=3 9269 B15R0.136 CCCCCCCC(C)OCC(=O)OCC 7a_200011215852_100000188475 [0,2,0,0,0,0|1,0,0]=3 9270 B15R0.136 CCCCCCCC(C)OCC(C)CCC 34a_100000688023_200011218727 [0,2,0,0,0,0|1,0,1]=4 9271 B15R0.136 CCCCCCCC(C)OCC(C)CCC 34a_200011215852_100011216630 [0,2,0,0,0,0|1,0,1]=4 9272 B15R0.136 CCCCCCCC(C)OCC(C)CCC 7a_100000688023_200011218727 [0,2,0,0,0,0|1,0,1]=4 9273 B15R0.136 CCCCCCCC(C)OCC(C)CCC 7a_200011215852_100011216630 [0,2,0,0,0,0|1,0,1]=4 9274 B15R0.136 CCCCCCCC(C)OC[C@@H](N)CCC 34a_100000732646_200011218727 [0,2,0,0,0,0|1,0,1]=4 9275 B15R0.136 CCCCCCCC(C)SCC(=O)CCC 62a_100000747444_200011218727 [0,2,0,0,0,0|0,1,0]=3 9276 B15R0.136 CCCCCCCC(C)SCC(=O)CCC 62a_200011218727_100000747444 [0,2,0,0,0,0|0,1,0]=3 9277 B15R0.136 CCCCCCCC(C)SCC(=O)NCC 62a_100000183381_200011218727 [0,2,0,0,0,0|1,1,0]=4 9278 B15R0.136 CCCCCCCC(C)SCC(=O)NCC 62a_200011218727_100000183381 [0,2,0,0,0,0|1,1,0]=4 9279 B15R0.136 CCCCCCCC(C)SCC(=O)OCC 62a_100000188475_200011218727 [0,2,0,0,0,0|1,1,0]=4 9280 B15R0.136 CCCCCCCC(C)SCC(=O)OCC 62a_200011218727_100000188475 [0,2,0,0,0,0|1,1,0]=4 9281 B15R0.136 CCCCCCCN(C)CCC(=O)NCC 2230a_100000228206_100000737597 [0,2,0,0,0,0|2,0,0]=4 9282 B15R0.136 CCCCCCCN(C)CCC(=O)NCC 269982a_100000228206_100000737597 [0,2,0,0,0,0|2,0,0]=4 9283 B15R0.136 CCCCCCCN(C)CCC(=O)OCC 2230a_100000228206_100011206558 [0,2,0,0,0,0|2,0,0]=4 9284 B15R0.136 CCCCCCCN(C)CCC(=O)OCC 2230a_100000745921_100000210681 [0,2,0,0,0,0|2,0,0]=4 9285 B15R0.136 CCCCCCCN(C)CCC(=O)OCC 269982a_100000228206_100011206558 [0,2,0,0,0,0|2,0,0]=4 9286 B15R0.136 CCCCCCCN(C)CCC(=O)OCC 269982a_100000745921_100000210681 [0,2,0,0,0,0|2,0,0]=4 9287 B15R0.136 CCCCCCCN(C)COC(=O)CCC 2230a_100000228206_100000034017 [0,2,0,0,0,0|0,0,0]=2 9288 B15R0.136 CCCCCCCN(C)COC(=O)CCC 269982a_100000228206_100000034017 [0,2,0,0,0,0|0,0,0]=2 9289 B15R0.136 CCCCCCNC(C)CCC(=O)OCC 2230a_100000210581_100000748298 [0,2,0,0,0,0|2,0,0]=4 9290 B15R0.136 CCCCCCOC(C)CCC(=O)OCC 34a_100000210259_100000748298 [0,2,0,0,0,0|2,0,0]=4 9291 B15R0.136 CCCCCCOC(C)CCC(=O)OCC 7a_100000210259_100000748298 [0,2,0,0,0,0|2,0,0]=4 9292 B15R0.136 CCCCCCSC(C)CCC(=O)OCC 62a_100000210314_100000748298 [0,2,0,0,0,0|2,0,0]=4 9293 B15R0.136 CCCCCCSC(C)CCC(=O)OCC 62a_100000748298_100000210757 [0,2,0,0,0,0|2,0,0]=4 9294 B15R0.187 CCCCCCC(=O)CNC(=O)CC(C)C 1458a_100000194594_100000210757 [0,2,0,0,0,0|1,0,1]=4 9295 B15R0.187 CCCCCCC(=O)COC(=O)OC(C)C 1458a_100102632555_100000003507 [0,2,0,0,0,0|1,0,1]=4 9296 B15R0.187 CCCCCCN(C)COC(=O)OC(C)C 269982a_106256046315_100010125566 [0,2,0,0,0,0|2,0,0]=4 9297 B15R0.1781 CCCCCCC(C)(C)OCC(=O)CCC 7a_200011995690_100000747444 [0,2,0,0,0,0|2,0,0]=4 9298 B15R0.2061 CCCCCCC(=O)CCC(=O)NCCC 1458a_100000199543_100000210757 [0,2,0,0,0,0|1,0,1]=4 9299 B15R0.2061 CCCCCCC(=O)COC(=O)OCCC 1458a_100102632555_200000139673 [0,2,0,0,0,0|0,0,1]=3 9300 B15R0.2061 CCCCCCC(C)NCC(=O)NCCC 2230a_100000174927_100011215978 [0,2,0,0,0,0|2,0,0]=4 9301 B15R0.2061 CCCCCCC(C)NCC(=O)NCCC 2230a_100000210919_100000183358 [0,2,0,0,0,0|2,0,0]=4 9302 B15R0.2061 CCCCCCC(C)NCC(=O)NCCC 270004a_100000174927_100000210826 [0,2,0,0,0,0|2,0,0]=4 9303 B15R0.2061 CCCCCCC(C)NCC(=O)NCCC 34a_100000210919_100000183358 [0,2,0,0,0,0|2,0,0]=4 9304 B15R0.2061 CCCCCCC(C)NCC(=O)OCCC 2230a_100000210919_200011215008 [0,2,0,0,0,0|2,0,0]=4 9305 B15R0.2061 CCCCCCC(C)NCC(=O)OCCC 34a_100000210919_200011215008 [0,2,0,0,0,0|2,0,0]=4 9306 B15R0.2061 CCCCCCC(C)OCC(=O)NCCC 34a_100000210265_100000183358 [0,2,0,0,0,0|2,0,0]=4 9307 B15R0.2061 CCCCCCC(C)OCC(=O)NCCC 7a_100000210265_100000183358 [0,2,0,0,0,0|2,0,0]=4 9308 B15R0.2061 CCCCCCC(C)OCC(=O)OCCC 34a_100000210265_200011215008 [0,2,0,0,0,0|2,0,0]=4 9309 B15R0.2061 CCCCCCC(C)OCC(=O)OCCC 7a_100000210265_200011215008 [0,2,0,0,0,0|2,0,0]=4 9310 B15R0.2061 CCCCCCC(C)SCC(=O)NCCC 62a_100000183358_100011215978 [0,2,0,0,0,0|2,0,0]=4 9311 B15R0.2061 CCCCCCC(C)SCC(=O)NCCC 62a_100011215978_100000183358 [0,2,0,0,0,0|2,0,0]=4 9312 B15R0.2061 CCCCCCC(C)SCC(=O)OCCC 62a_100011215978_200011215008 [0,2,0,0,0,0|2,0,0]=4 9313 B15R0.2061 CCCCCCC(C)SCC(=O)OCCC 62a_200011215008_100011215978 [0,2,0,0,0,0|2,0,0]=4 9314 B15R0.2061 CCCCCCN(C)COC(=O)OCCC 269982a_106256046315_200000139673 [0,2,0,0,0,0|1,0,0]=3 9315 B15R0.2061 CCCCOCC(=O)COC(=O)OCCC 1458a_100000757543_200000139673 [0,2,0,0,0,0|1,0,1]=4 9316 B15R0.2061 CCCCSCC(=O)COC(=O)OCCC 1458a_100000191162_200000139673 [0,2,0,0,0,0|1,0,1]=4 9317 B15R0.2061 CCCOC(=O)OCC(=O)CCCCCO 1458a_100102619762_200000139673 [0,2,0,0,0,0|1,0,1]=4 9318 B15R0.2061 CCCOC(=O)OCN(C)CCCCCO 269982a_100000722520_200000139673 [0,2,0,0,0,0|2,0,0]=4 9319 B15R0.2140 CCCCCC(C)C(=O)COC(=O)CCC 1458a_100011215998_100000034017 [0,2,0,0,0,0|0,0,1]=3 9320 B15R0.2140 CCCCSC(C)C(=O)COC(=O)CCC 1458a_100000191163_100000034017 [0,2,0,0,0,0|1,0,1]=4 9321 B15R0.2167 C=CC(CCCCCC)OCC(=O)CCC 7a_200011215977_100000747444 [0,2,0,0,0,0|2,0,0]=4 9322 B15R0.2167 CCCCCCC(CC)OCC(=O)CCC 7a_100011215785_100000747444 [0,2,0,0,0,0|2,0,0]=4 9323 B15R0.4652 CCCC(=O)OCC(=O)CCCCC(C)C 1458a_100011933920_100000034017 [0,2,0,0,0,0|0,0,1]=3 9324 B15R0.69 C#CCCCCCCCCC(=O)CC(C)C 1458a_100000029693_100000210624 [0,2,0,0,0,0|1,0,1]=4 9325 B15R0.69 C#CCCCCCCCCC(=O)CC(C)O 1458a_100000029693_100011218427 [0,2,0,0,0,0|1,0,1]=4 9326 B15R0.69 C=C(C)CC(=O)C=CCCCCCCCC 1458a_100015345288_100000748629 [0,2,0,0,0,0|1,0,1]=4 9327 B15R0.69 C=C(C)CC(=O)CCCCCCCCCC 1458a_100000210375_100000748629 [0,2,0,0,0,0|1,0,1]=4 9328 B15R0.69 C=C(C)CC(=O)CCCCCCCCCF 1458a_200009909015_100000748629 [0,2,0,0,0,0|1,0,1]=4 9329 B15R0.69 C=C(C)CC(=O)COCCCCCCCC 1458a_100000759886_100000748629 [0,2,0,0,0,0|0,0,1]=3 9330 B15R0.69 C=C(F)CC(=O)COCCCCCCCC 1458a_100000759886_100009893438 [0,2,0,0,0,0|0,0,2]=4 9331 B15R0.69 C=CCCCCCCCCC(=O)CC(C)C 1458a_100000210554_100011933949 [0,2,0,0,0,0|1,0,1]=4 9332 B15R0.69 C=CCCCCCCCCC(=O)CC(C)C 1458a_100000211349_100000210624 [0,2,0,0,0,0|1,0,1]=4 9333 B15R0.69 C=CCCCCCCCCC(=O)CC(C)O 1458a_100000211349_100011218427 [0,2,0,0,0,0|1,0,1]=4 9334 B15R0.69 C=CCCCCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100011933949 [0,2,0,0,0,0|1,0,1]=4 9335 B15R0.69 CC#CCCCCCCCC(=O)CC(C)C 1458a_100000066323_100000210624 [0,2,0,0,0,0|1,0,1]=4 9336 B15R0.69 CC#CCCCCCCCC(=O)CC(C)O 1458a_100000066323_100011218427 [0,2,0,0,0,0|1,0,1]=4 9337 B15R0.69 CC(=O)CC(=O)OCCNCCCCCO 34a_100000762737_100000102702 [0,2,0,0,0,0|1,0,1]=4 9338 B15R0.69 CC(=O)CC(=O)OCCOCCCCCBr 34a_100000746331_100000102702 [0,2,0,0,0,0|1,0,1]=4 9339 B15R0.69 CC(=O)CC(=O)OCCOCCCCCCl 34a_100000746330_100000102702 [0,2,0,0,0,0|1,0,1]=4 9340 B15R0.69 CC(=O)CC(=O)OCCOCCCCCI 34a_200012148887_100000102702 [0,2,0,0,0,0|1,0,1]=4 9341 B15R0.69 CC(=O)CC(=O)OCCOCCCCCN 34a_100000762737_100000102702 [0,2,0,0,0,0|1,0,1]=4 9342 B15R0.69 CC(=O)CC(=O)OCCSCCCCCF 62a_100000102702_100000729378 [0,2,0,0,0,0|1,0,1]=4 9343 B15R0.69 CC(=O)CC(=O)OCCSCCCCCF 62a_100000729378_100000102702 [0,2,0,0,0,0|1,0,1]=4 9344 B15R0.69 CC(=O)CC(=O)OCCSCCCCCO 62a_100000102702_100000746330 [0,2,0,0,0,0|1,0,1]=4 9345 B15R0.69 CC(=O)CC(=O)OCCSCCCCCO 62a_100000746330_100000102702 [0,2,0,0,0,0|1,0,1]=4 9346 B15R0.69 CC(C)CC(=O)CCCCCCCCCF 1458a_200009909015_100000210624 [0,2,0,0,0,0|1,0,0]=3 9347 B15R0.69 CC(C)CC(=O)CCCCCCCCCO 1458a_100000210554_100009813782 [0,2,0,0,0,0|1,0,0]=3 9348 B15R0.69 CC(C)CC(=O)NCCCCCCCCO 240690a_102515433106_100000210554 [0,2,0,0,0,0|1,0,0]=3 9349 B15R0.69 CC(C)CC(C)OCCCCCCCCBr 34a_100009813846_100000731052 [0,2,0,0,0,0|1,0,1]=4 9350 B15R0.69 CC(C)CC(C)OCCCCCCCCBr 7a_100009813846_100000731052 [0,2,0,0,0,0|1,0,1]=4 9351 B15R0.69 CC(C)CC(C)OCCCCCCCCCl 34a_100000033203_100000731052 [0,2,0,0,0,0|1,0,1]=4 9352 B15R0.69 CC(C)CC(C)OCCCCCCCCCl 7a_100000033203_100000731052 [0,2,0,0,0,0|1,0,1]=4 9353 B15R0.69 CC(C)CC(C)OCCCCCCCCN 34a_102515433106_100000731052 [0,2,0,0,0,0|1,0,1]=4 9354 B15R0.69 CC(C)CC(C)OCCCCCCCCO 34a_100000211805_100000033203 [0,2,0,0,0,0|1,0,1]=4 9355 B15R0.69 CC(C)CC(C)OCCCCCCCCO 7a_100000211805_100000033203 [0,2,0,0,0,0|1,0,1]=4 9356 B15R0.69 CC(C)NC(=O)CCCCCCCCCF 11a_100138425928_200009909015 [0,2,0,0,0,0|2,0,0]=4 9357 B15R0.69 CC(C)NC(=O)CCCCCCCCCF 240690a_100138425928_200009909015 [0,2,0,0,0,0|2,0,0]=4 9358 B15R0.69 CC(C)NC(=O)CCCCCCCCCF 527a_100138425928_200009909015 [0,2,0,0,0,0|2,0,0]=4 9359 B15R0.69 CC(C)NC(=O)CCCCCCCCCO 240690a_100138425928_100000032657 [0,2,0,0,0,0|2,0,0]=4 9360 B15R0.69 CC(C)NC(=O)COCCCCCCCBr 34a_100000760002_100000183996 [0,2,0,0,0,0|2,0,0]=4 9361 B15R0.69 CC(C)NC(=O)COCCCCCCCBr 7a_100000760002_100000183996 [0,2,0,0,0,0|2,0,0]=4 9362 B15R0.69 CC(C)NC(=O)COCCCCCCCN 34a_100011996573_100000183996 [0,2,0,0,0,0|2,0,0]=4 9363 B15R0.69 CC(C)NC(=O)NCCCCCCCCO 2708a_100138425928_102515433106 [0,2,0,0,0,0|2,0,0]=4 9364 B15R0.69 CC(C)NC(=O)NCCCCCCCCO 2708a_102515433106_100138425928 [0,2,0,0,0,0|2,0,0]=4 9365 B15R0.69 CC(C)NC(=O)NCCCCCCCCO 273464a_100138425928_102515433106 [0,2,0,0,0,0|2,0,0]=4 9366 B15R0.69 CC(C)NC(=O)NCCCCCCCCO 512a_100138425928_102515433106 [0,2,0,0,0,0|2,0,0]=4 9367 B15R0.69 CC(C)NC(=O)NCCCCCCCCO 512a_102515433106_100138425928 [0,2,0,0,0,0|2,0,0]=4 9368 B15R0.69 CC(C)OC(=O)COCCCCCCCBr 34a_100000760002_100011215430 [0,2,0,0,0,0|2,0,0]=4 9369 B15R0.69 CC(C)OC(=O)COCCCCCCCBr 7a_100000760002_100011215430 [0,2,0,0,0,0|2,0,0]=4 9370 B15R0.69 CC(C)OC(=O)COCCCCCCCN 34a_100011996573_100011215430 [0,2,0,0,0,0|2,0,0]=4 9371 B15R0.69 CC(C)OC(=O)OCSCCCCCCF 62a_100000003507_100015922095 [0,2,0,0,0,0|2,0,0]=4 9372 B15R0.69 CC(C)OC(=O)OCSCCCCCCF 62a_100015922095_100000003507 [0,2,0,0,0,0|2,0,0]=4 9373 B15R0.69 CC(C)OC(=O)OCSCCCCCCO 62a_100000003507_100000766143 [0,2,0,0,0,0|2,0,0]=4 9374 B15R0.69 CC(C)OC(=O)OCSCCCCCCO 62a_100000766143_100000003507 [0,2,0,0,0,0|2,0,0]=4 9375 B15R0.69 CC(O)CC(=O)CCCCCCCCCF 1458a_200009909015_100011218427 [0,2,0,0,0,0|1,0,0]=3 9376 B15R0.69 CCC#CCCCCCCC(=O)CC(C)C 1458a_100000210554_200000036426 [0,2,0,0,0,0|1,0,1]=4 9377 B15R0.69 CCC#CCCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_200000036426 [0,2,0,0,0,0|1,0,1]=4 9378 B15R0.69 CCCCCCCC=NNC(=O)CC(C)C 4a_100000189787_100000210592 [0,2,0,0,0,0|1,0,1]=4 9379 B15R0.69 CCCCCCCCC=CC(=O)CC(C)C 1458a_100015345288_100000210624 [0,2,0,0,0,0|1,0,0]=3 9380 B15R0.69 CCCCCCCCC=CC(=O)CC(C)O 1458a_100015345288_100011218427 [0,2,0,0,0,0|1,0,0]=3 9381 B15R0.69 CCCCCCCCC=CC(=O)CC(F)F 1458a_100015345288_100011934356 [0,2,0,0,0,0|2,0,0]=4 9382 B15R0.69 CCCCCCCCC=CC(=O)NC(C)C 11a_100138425928_100015345288 [0,2,0,0,0,0|2,0,0]=4 9383 B15R0.69 CCCCCCCCC=CC(=O)NC(C)C 1626a_100138425928_100015345288 [0,2,0,0,0,0|2,0,0]=4 9384 B15R0.69 CCCCCCCCC=CC(=O)NC(C)C 240690a_100138425928_100015345288 [0,2,0,0,0,0|2,0,0]=4 9385 B15R0.69 CCCCCCCCCCC(=O)CC(C)C 1458a_100000210375_100000210624 [0,2,0,0,0,0|1,0,0]=3 9386 B15R0.69 CCCCCCCCCCC(=O)CC(C)C 1458a_100000210554_100000210319 [0,2,0,0,0,0|1,0,0]=3 9387 B15R0.69 CCCCCCCCCCC(=O)CC(C)O 1458a_100000210375_100011218427 [0,2,0,0,0,0|1,0,0]=3 9388 B15R0.69 CCCCCCCCCCC(=O)CC(F)F 1458a_100000210375_100011934356 [0,2,0,0,0,0|2,0,0]=4 9389 B15R0.69 CCCCCCCCCCC(=O)CN(C)C 1458a_100000750896_100000210319 [0,2,0,0,0,0|2,0,0]=4 9390 B15R0.69 CCCCCCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210319 [0,2,0,0,0,0|1,0,0]=3 9391 B15R0.69 CCCCCCCCCCC(=O)C[S+](C)C 1458a_200159257847_100000210319 [0,2,0,0,0,0|2,0,0]=4 9392 B15R0.69 CCCCCCCCCCC(=O)NC(C)C 11a_100138425928_100000210375 [0,2,0,0,0,0|2,0,0]=4 9393 B15R0.69 CCCCCCCCCCC(=O)NC(C)C 1626a_100138425928_100000210375 [0,2,0,0,0,0|2,0,0]=4 9394 B15R0.69 CCCCCCCCCCC(=O)NC(C)C 240690a_100138425928_100000210375 [0,2,0,0,0,0|2,0,0]=4 9395 B15R0.69 CCCCCCCCCNC(=O)CC(C)C 11a_100000212291_100000210554 [0,2,0,0,0,0|1,0,0]=3 9396 B15R0.69 CCCCCCCCCNC(=O)CC(C)C 1626a_100000212291_100000210554 [0,2,0,0,0,0|1,0,0]=3 9397 B15R0.69 CCCCCCCCCNC(=O)CC(C)C 240690a_100000212291_100000210554 [0,2,0,0,0,0|1,0,0]=3 9398 B15R0.69 CCCCCCCCCNC(=O)CC(C)C 527a_100000212291_100000210554 [0,2,0,0,0,0|1,0,0]=3 9399 B15R0.69 CCCCCCCCCNC(=O)CN(C)C 11a_100000212291_100000750896 [0,2,0,0,0,0|2,0,0]=4 9400 B15R0.69 CCCCCCCCCNC(=O)CN(C)C 240690a_100000212291_100000750896 [0,2,0,0,0,0|2,0,0]=4 9401 B15R0.69 CCCCCCCCCNC(=O)CN(C)C 527a_100000212291_100000750896 [0,2,0,0,0,0|2,0,0]=4 9402 B15R0.69 CCCCCCCCCNC(=O)C[C@@H](C)O 240690a_100000212291_100011933948 [0,2,0,0,0,0|1,0,0]=3 9403 B15R0.69 CCCCCCCCCNC(=O)C[S+](C)C 11a_100000212291_200159257847 [0,2,0,0,0,0|2,0,0]=4 9404 B15R0.69 CCCCCCCCCNC(=O)C[S+](C)C 1626a_100000212291_200159257847 [0,2,0,0,0,0|2,0,0]=4 9405 B15R0.69 CCCCCCCCCNC(=O)C[S+](C)C 240690a_100000212291_200159257847 [0,2,0,0,0,0|2,0,0]=4 9406 B15R0.69 CCCCCCCCCNC(=O)C[S+](C)C 527a_100000212291_200159257847 [0,2,0,0,0,0|2,0,0]=4 9407 B15R0.69 CCCCCCCCCNC(=O)NC(C)C 2708a_100000212291_100138425928 [0,2,0,0,0,0|2,0,0]=4 9408 B15R0.69 CCCCCCCCCNC(=O)NC(C)C 2708a_100138425928_100000212291 [0,2,0,0,0,0|2,0,0]=4 9409 B15R0.69 CCCCCCCCCNC(=O)NC(C)C 273464a_100138425928_100000212291 [0,2,0,0,0,0|2,0,0]=4 9410 B15R0.69 CCCCCCCCCNC(=O)NC(C)C 512a_100000212291_100138425928 [0,2,0,0,0,0|2,0,0]=4 9411 B15R0.69 CCCCCCCCCNC(=O)NC(C)C 512a_100138425928_100000212291 [0,2,0,0,0,0|2,0,0]=4 9412 B15R0.69 CCCCCCCCCOC(C)CC(C)C 34a_100000210712_100000731052 [0,2,0,0,0,0|1,0,1]=4 9413 B15R0.69 CCCCCCCCCOC(C)CC(C)C 34a_100000211805_100011214924 [0,2,0,0,0,0|1,0,1]=4 9414 B15R0.69 CCCCCCCCCOC(C)CC(C)C 7a_100000210712_100000731052 [0,2,0,0,0,0|1,0,1]=4 9415 B15R0.69 CCCCCCCCCOC(C)CC(C)C 7a_100000211805_100000210328 [0,2,0,0,0,0|1,0,1]=4 9416 B15R0.69 CCCCCCCCNCC(=O)NC(C)C 2230a_100000168517_100000210759 [0,2,0,0,0,0|2,0,0]=4 9417 B15R0.69 CCCCCCCCNCC(=O)NC(C)C 2230a_100000229939_100000183996 [0,2,0,0,0,0|2,0,0]=4 9418 B15R0.69 CCCCCCCCNCC(=O)NC(C)C 34a_100000229939_100000183996 [0,2,0,0,0,0|2,0,0]=4 9419 B15R0.69 CCCCCCCCNCC(=O)OC(C)C 2230a_100000229939_100011215430 [0,2,0,0,0,0|2,0,0]=4 9420 B15R0.69 CCCCCCCCNCC(=O)OC(C)C 34a_100000229939_100011215430 [0,2,0,0,0,0|2,0,0]=4 9421 B15R0.69 CCCCCCCCOCC(=O)CC(=O)N 1458a_100000759886_100000187820 [0,2,0,0,0,0|1,0,1]=4 9422 B15R0.69 CCCCCCCCOCC(=O)CC(=O)[O-] 1458a_100000759886_100020667443 [0,2,0,0,0,0|1,0,1]=4 9423 B15R0.69 CCCCCCCCOCC(=O)CC(C)C 1458a_100000759886_100000210624 [0,2,0,0,0,0|0,0,0]=2 9424 B15R0.69 CCCCCCCCOCC(=O)CC(C)O 1458a_100000759886_100011218427 [0,2,0,0,0,0|0,0,0]=2 9425 B15R0.69 CCCCCCCCOCC(=O)CC(F)F 1458a_100000759886_100011934356 [0,2,0,0,0,0|1,0,0]=3 9426 B15R0.69 CCCCCCCCOCC(=O)C[N+](=O)[O-] 1458a_100000759886_100000761209 [0,2,0,0,0,0|2,0,0]=4 9427 B15R0.69 CCCCCCCCOCC(=O)NC(=O)C 7a_100000210232_100000183797 [0,2,0,0,0,0|1,0,1]=4 9428 B15R0.69 CCCCCCCCOCC(=O)NC(C)C 11a_100138425928_100000759886 [0,2,0,0,0,0|1,0,0]=3 9429 B15R0.69 CCCCCCCCOCC(=O)NC(C)C 1626a_100138425928_100000759886 [0,2,0,0,0,0|1,0,0]=3 9430 B15R0.69 CCCCCCCCOCC(=O)NC(C)C 240690a_100138425928_100000759886 [0,2,0,0,0,0|1,0,0]=3 9431 B15R0.69 CCCCCCCCOCC(=O)NC(C)C 34a_100000210232_100000183996 [0,2,0,0,0,0|1,0,0]=3 9432 B15R0.69 CCCCCCCCOCC(=O)NC(C)C 527a_100138425928_100000759886 [0,2,0,0,0,0|1,0,0]=3 9433 B15R0.69 CCCCCCCCOCC(=O)NC(C)C 7a_100000210232_100000183996 [0,2,0,0,0,0|1,0,0]=3 9434 B15R0.69 CCCCCCCCOCC(=O)OC(C)C 34a_100000210232_100011215430 [0,2,0,0,0,0|1,0,0]=3 9435 B15R0.69 CCCCCCCCOCC(=O)OC(C)C 7a_100000210232_100011215430 [0,2,0,0,0,0|1,0,0]=3 9436 B15R0.69 CCCCCCCCOC[C@@H](N)CC(C)C 34a_100011830311_100000210759 [0,2,0,0,0,0|1,0,1]=4 9437 B15R0.69 CCCCCCCCSCC(=O)NC(C)C 62a_100000183996_100000210317 [0,2,0,0,0,0|1,1,0]=4 9438 B15R0.69 CCCCCCCCSCC(=O)NC(C)C 62a_100000210759_100000183996 [0,2,0,0,0,0|1,1,0]=4 9439 B15R0.69 CCCCCCCCSCC(=O)OC(C)C 62a_100000210759_100011215430 [0,2,0,0,0,0|1,1,0]=4 9440 B15R0.69 CCCCCCCCSCC(=O)OC(C)C 62a_100011215430_100000210317 [0,2,0,0,0,0|1,1,0]=4 9441 B15R0.69 CCCCCCCNCCC(=O)NC(C)C 2230a_100000229938_100000737564 [0,2,0,0,0,0|2,0,0]=4 9442 B15R0.69 CCCCCCCNCCC(=O)OC(C)C 2230a_100000229938_100000760027 [0,2,0,0,0,0|2,0,0]=4 9443 B15R0.69 CCCCCCCOCCC(=O)NC(C)C 7a_100000210272_100000737564 [0,2,0,0,0,0|2,0,0]=4 9444 B15R0.69 CCCCCCCOCCC(=O)OC(C)C 7a_100000210272_100000760027 [0,2,0,0,0,0|2,0,0]=4 9445 B15R0.69 CCCCCCCSCCC(=O)NC(C)C 62a_100000210614_100000737564 [0,2,0,0,0,0|2,0,0]=4 9446 B15R0.69 CCCCCCCSCCC(=O)NC(C)C 62a_100000737564_100000210316 [0,2,0,0,0,0|2,0,0]=4 9447 B15R0.69 CCCCCCCSCCC(=O)OC(C)C 62a_100000210614_100000760027 [0,2,0,0,0,0|2,0,0]=4 9448 B15R0.69 CCCCCCCSCCC(=O)OC(C)C 62a_100000760027_100000210316 [0,2,0,0,0,0|2,0,0]=4 9449 B15R0.69 CCCCCCCSCOC(=O)OC(C)C 62a_100000003507_100000210316 [0,2,0,0,0,0|1,0,0]=3 9450 B15R0.69 CCCCCCCSCOC(=O)OC(C)C 62a_100000210614_100000003507 [0,2,0,0,0,0|1,0,0]=3 9451 B15R0.69 CCCCCCOCCOC(=O)CC(=O)C 34a_100000210259_100000102702 [0,2,0,0,0,0|0,0,1]=3 9452 B15R0.69 CCCCCCOCCOC(C)CC(C)C 34a_100000691444_100000731052 [0,2,0,0,0,0|1,0,1]=4 9453 B15R0.69 CCCCCCOCCOC(C)CC(C)C 7a_100000691444_100000731052 [0,2,0,0,0,0|1,0,1]=4 9454 B15R0.69 CCCCCCSCCOC(=O)CC(=O)C 62a_100000102702_100000210757 [0,2,0,0,0,0|0,0,1]=3 9455 B15R0.69 CCCCCCSCCOC(=O)CC(=O)C 62a_100000210314_100000102702 [0,2,0,0,0,0|0,0,1]=3 9456 B15R0.69 CCCCCNCCOCC(=O)NC(C)C 34a_100000224656_100000183996 [0,2,0,0,0,0|2,0,0]=4 9457 B15R0.69 CCCCCNCCOCC(=O)OC(C)C 34a_100000224656_100011215430 [0,2,0,0,0,0|2,0,0]=4 9458 B15R0.69 CCCCCOCCOCC(=O)NC(C)C 34a_100011215259_100000183996 [0,2,0,0,0,0|2,0,0]=4 9459 B15R0.69 CCCCCOCCOCC(=O)NC(C)C 7a_100011215259_100000183996 [0,2,0,0,0,0|2,0,0]=4 9460 B15R0.69 CCCCCOCCOCC(=O)OC(C)C 34a_100011215259_100011215430 [0,2,0,0,0,0|2,0,0]=4 9461 B15R0.69 CCCCCOCCOCC(=O)OC(C)C 7a_100011215259_100011215430 [0,2,0,0,0,0|2,0,0]=4 9462 B15R0.69 CCCCNCCCCCC(=O)OC(C)C 2230a_100000102301_200010986244 [0,2,0,0,0,0|2,0,0]=4 9463 B15R0.69 CCCCNCCCCCC(=O)OC(C)C 7a_106832991798_200010986244 [0,2,0,0,0,0|2,0,0]=4 9464 B15R0.69 CCCCNCCCCOC(C)CC(C)C 34a_200011216965_100000731052 [0,2,0,0,0,0|1,0,1]=4 9465 B15R0.69 CCCCOCCCCCC(=O)OC(C)C 34a_100000210227_200010986244 [0,2,0,0,0,0|2,0,0]=4 9466 B15R0.69 CCCCOCCCCCC(=O)OC(C)C 7a_100000210227_200010986244 [0,2,0,0,0,0|2,0,0]=4 9467 B15R0.69 CCCCOCCCCOC(C)CC(C)C 34a_200000760531_100000731052 [0,2,0,0,0,0|1,0,1]=4 9468 B15R0.69 CCCCOCCCCOC(C)CC(C)C 7a_200000760531_100000731052 [0,2,0,0,0,0|1,0,1]=4 9469 B15R0.69 CCCCOCCCOCC(=O)NC(C)C 34a_200011215613_100000183996 [0,2,0,0,0,0|2,0,0]=4 9470 B15R0.69 CCCCOCCCOCC(=O)NC(C)C 7a_200011215613_100000183996 [0,2,0,0,0,0|2,0,0]=4 9471 B15R0.69 CCCCOCCCOCC(=O)OC(C)C 34a_200011215613_100011215430 [0,2,0,0,0,0|2,0,0]=4 9472 B15R0.69 CCCCOCCCOCC(=O)OC(C)C 7a_200011215613_100011215430 [0,2,0,0,0,0|2,0,0]=4 9473 B15R0.69 CCCCOCCSCOC(=O)OC(C)C 62a_100000003507_100000743108 [0,2,0,0,0,0|2,0,0]=4 9474 B15R0.69 CCCCOCCSCOC(=O)OC(C)C 62a_100000743108_100000003507 [0,2,0,0,0,0|2,0,0]=4 9475 B15R0.69 CCCCOCSCCOC(=O)CC(=O)C 62a_100000102702_100011995733 [0,2,0,0,0,0|1,0,1]=4 9476 B15R0.69 CCCCOCSCCOC(=O)CC(=O)C 62a_100011995733_100000102702 [0,2,0,0,0,0|1,0,1]=4 9477 B15R0.69 CCCCSCCCCCC(=O)OC(C)C 62a_100000210211_200010986244 [0,2,0,0,0,0|2,0,0]=4 9478 B15R0.69 CCCCSCCCCCC(=O)OC(C)C 62a_200010986244_100000210210 [0,2,0,0,0,0|2,0,0]=4 9479 B15R0.69 CCCOCCNCCOC(=O)CC(=O)C 34a_100161115042_100000102702 [0,2,0,0,0,0|1,0,1]=4 9480 B15R0.69 CCCOCCOCCNC(=O)CC(C)C 11a_200011904461_100000210554 [0,2,0,0,0,0|2,0,0]=4 9481 B15R0.69 CCCOCCOCCNC(=O)CC(C)C 1626a_200011904461_100000210554 [0,2,0,0,0,0|2,0,0]=4 9482 B15R0.69 CCCOCCOCCNC(=O)CC(C)C 240690a_200011904461_100000210554 [0,2,0,0,0,0|2,0,0]=4 9483 B15R0.69 CCCOCCOCCNC(=O)C[C@@H](C)O 240690a_200011904461_100011933948 [0,2,0,0,0,0|2,0,0]=4 9484 B15R0.69 CCCOCCOCCOC(=O)CC(=O)C 34a_100000752267_100000102702 [0,2,0,0,0,0|1,0,1]=4 9485 B15R0.69 CCCOCCSCCOC(=O)CC(=O)C 62a_100000102702_100011215938 [0,2,0,0,0,0|1,0,1]=4 9486 B15R0.69 CCCOCCSCCOC(=O)CC(=O)C 62a_100011215938_100000102702 [0,2,0,0,0,0|1,0,1]=4 9487 B15R0.69 CCCSCCOCCOC(=O)CC(=O)C 34a_200000230433_100000102702 [0,2,0,0,0,0|1,0,1]=4 9488 B15R0.69 CCOCCCNCCOC(=O)CC(=O)C 34a_100000210961_100000102702 [0,2,0,0,0,0|1,0,1]=4 9489 B15R0.69 CCOCCCOCCOC(=O)CC(=O)C 34a_100000757476_100000102702 [0,2,0,0,0,0|1,0,1]=4 9490 B15R0.69 CCOCCCSCCOC(=O)CC(=O)C 62a_100000102702_100012232248 [0,2,0,0,0,0|1,0,1]=4 9491 B15R0.69 CCOCCCSCCOC(=O)CC(=O)C 62a_100012232248_100000102702 [0,2,0,0,0,0|1,0,1]=4 9492 B15R0.69 CCSCCCOCCOC(=O)CC(=O)C 34a_100011216438_100000102702 [0,2,0,0,0,0|1,0,1]=4 9493 B15R0.69 CN(C)CC(=O)CCCCCCCCCO 1458a_100000750896_100009813782 [0,2,0,0,0,0|2,0,0]=4 9494 B15R0.69 CN(C)CC(=O)NCCCCCCCCO 240690a_102515433106_100000750896 [0,2,0,0,0,0|2,0,0]=4 9495 B15R0.69 COCCCCCCOCC(=O)NC(C)C 34a_200012092642_100000183996 [0,2,0,0,0,0|2,0,0]=4 9496 B15R0.69 COCCCCCCOCC(=O)NC(C)C 7a_200012092642_100000183996 [0,2,0,0,0,0|2,0,0]=4 9497 B15R0.69 COCCCCCCOCC(=O)OC(C)C 34a_200012092642_100011215430 [0,2,0,0,0,0|2,0,0]=4 9498 B15R0.69 COCCCCCCOCC(=O)OC(C)C 7a_200012092642_100011215430 [0,2,0,0,0,0|2,0,0]=4 9499 B15R0.69 COCCCCOCCOC(=O)CC(=O)C 34a_100000740925_100000102702 [0,2,0,0,0,0|1,0,1]=4 9500 B15R0.69 COCCCCSCCOC(=O)CC(=O)C 62a_100000102702_100000730899 [0,2,0,0,0,0|1,0,1]=4 9501 B15R0.69 COCCCCSCCOC(=O)CC(=O)C 62a_100000730899_100000102702 [0,2,0,0,0,0|1,0,1]=4 9502 B15R0.69 CSCCCCOCCOC(=O)CC(=O)C 34a_100011217163_100000102702 [0,2,0,0,0,0|1,0,1]=4 9503 B15R0.69 C[C@@H](O)CC(=O)CCCCCCCCCO 1458a_100011933948_100009813782 [0,2,0,0,0,0|1,0,0]=3 9504 B15R0.69 C[C@@H](O)CC(=O)NCCCCCCCCO 240690a_102515433106_100011933948 [0,2,0,0,0,0|1,0,0]=3 9505 B15R0.69 C[S+](C)CC(=O)CCCCCCCCCO 1458a_200159257847_100009813782 [0,2,0,0,0,0|2,0,0]=4 9506 B15R0.69 C[S+](C)CC(=O)NCCCCCCCCO 240690a_102515433106_200159257847 [0,2,0,0,0,0|2,0,0]=4 9507 B15R0.69 O=C(CCCCCCCCCF)CC(F)F 1458a_200009909015_100011934356 [0,2,0,0,0,0|2,0,0]=4 9508 B15R0.226 CC(=O)CC(=O)OCCNCCCC(C)C 34a_200000737386_100000102702 [0,2,0,0,0,0|1,0,1]=4 9509 B15R0.226 CC(=O)CC(=O)OCCOCCCC(C)C 34a_100000210774_100000102702 [0,2,0,0,0,0|1,0,1]=4 9510 B15R0.226 CC(=O)CC(=O)OCCSCCCC(C)C 62a_100000102702_100011214892 [0,2,0,0,0,0|1,0,1]=4 9511 B15R0.226 CC(=O)CC(=O)OCCSCCCC(C)C 62a_100011214892_100000102702 [0,2,0,0,0,0|1,0,1]=4 9512 B15R0.226 CC(=O)CC(=O)OCCSCCCC(C)O 62a_100000102702_200000718107 [0,2,0,0,0,0|1,0,1]=4 9513 B15R0.226 CC(=O)CC(=O)OCCSCCCC(C)O 62a_200000718107_100000102702 [0,2,0,0,0,0|1,0,1]=4 9514 B15R0.226 CC(C)CC(=O)NCCCCCCN(C)C 240690a_200011233508_100000210554 [0,2,0,0,0,0|2,0,0]=4 9515 B15R0.226 CC(C)CCCCCCNC(=O)CC(C)C 11a_100000211014_100000210554 [0,2,0,0,0,0|1,0,0]=3 9516 B15R0.226 CC(C)CCCCCCNC(=O)CC(C)C 1626a_100000211014_100000210554 [0,2,0,0,0,0|1,0,0]=3 9517 B15R0.226 CC(C)CCCCCCNC(=O)CC(C)C 240690a_100000211014_100000210554 [0,2,0,0,0,0|1,0,0]=3 9518 B15R0.226 CC(C)CCCCCCNC(=O)CC(C)C 527a_100000211014_100000210554 [0,2,0,0,0,0|1,0,0]=3 9519 B15R0.226 CC(C)CCCCCCNC(=O)CN(C)C 11a_100000211014_100000750896 [0,2,0,0,0,0|2,0,0]=4 9520 B15R0.226 CC(C)CCCCCCNC(=O)CN(C)C 240690a_100000211014_100000750896 [0,2,0,0,0,0|2,0,0]=4 9521 B15R0.226 CC(C)CCCCCCNC(=O)CN(C)C 527a_100000211014_100000750896 [0,2,0,0,0,0|2,0,0]=4 9522 B15R0.226 CC(C)CCCCCCNC(=O)C[C@@H](C)O 240690a_100000211014_100011933948 [0,2,0,0,0,0|1,0,0]=3 9523 B15R0.226 CC(C)CCCCCCNC(=O)C[S+](C)C 11a_100000211014_200159257847 [0,2,0,0,0,0|2,0,0]=4 9524 B15R0.226 CC(C)CCCCCCNC(=O)C[S+](C)C 1626a_100000211014_200159257847 [0,2,0,0,0,0|2,0,0]=4 9525 B15R0.226 CC(C)CCCCCCNC(=O)C[S+](C)C 240690a_100000211014_200159257847 [0,2,0,0,0,0|2,0,0]=4 9526 B15R0.226 CC(C)CCCCCCNC(=O)C[S+](C)C 527a_100000211014_200159257847 [0,2,0,0,0,0|2,0,0]=4 9527 B15R0.226 CC(C)CCCCCCNC(=O)NC(C)C 2708a_100000211014_100138425928 [0,2,0,0,0,0|2,0,0]=4 9528 B15R0.226 CC(C)CCCCCCNC(=O)NC(C)C 2708a_100138425928_100000211014 [0,2,0,0,0,0|2,0,0]=4 9529 B15R0.226 CC(C)CCCCCCNC(=O)NC(C)C 273464a_100138425928_100000211014 [0,2,0,0,0,0|2,0,0]=4 9530 B15R0.226 CC(C)CCCCCCNC(=O)NC(C)C 512a_100000211014_100138425928 [0,2,0,0,0,0|2,0,0]=4 9531 B15R0.226 CC(C)CCCCCCNC(=O)NC(C)C 512a_100138425928_100000211014 [0,2,0,0,0,0|2,0,0]=4 9532 B15R0.226 CC(C)CCCCSCOC(=O)OC(C)C 62a_100000003507_100011216152 [0,2,0,0,0,0|2,0,0]=4 9533 B15R0.226 CC(C)CCCCSCOC(=O)OC(C)C 62a_100011216152_100000003507 [0,2,0,0,0,0|2,0,0]=4 9534 B15R0.226 C[C@@H](O)CC(=O)NCCCCCCN(C)C 240690a_200011233508_100011933948 [0,2,0,0,0,0|2,0,0]=4 9535 B15R0.372 CCCCCC(=O)CCOC(=O)CC(=O)C 1458a_100000212188_100000102702 [0,2,0,0,0,0|0,0,2]=4 9536 B15R0.372 CCCCCC(C)SCOC(=O)OC(C)C 62a_100000003507_200011218191 [0,2,0,0,0,0|2,0,0]=4 9537 B15R0.372 CCCCCC(C)SCOC(=O)OC(C)C 62a_200011218191_100000003507 [0,2,0,0,0,0|2,0,0]=4 9538 B15R0.372 CCCCCC(O)CCCC(=O)NC(C)C 1626a_100138425928_100020618878 [0,2,0,0,0,0|2,0,0]=4 9539 B15R0.372 CCCCCC(O)CCCC(=O)NC(C)C 240690a_100138425928_100020618878 [0,2,0,0,0,0|2,0,0]=4 9540 B15R0.372 CCCCCC(O)CCCC(=O)NC(C)C 527a_100138425928_100020618878 [0,2,0,0,0,0|2,0,0]=4 9541 B15R0.372 CCCCCN(C)CCOC(=O)CC(=O)C 269982a_100000223495_100000102702 [0,2,0,0,0,0|1,0,1]=4 9542 B15R0.3221 C#CC(C)NC(=O)CCCCCCCCC 11a_100000707721_100000210558 [0,2,0,0,0,0|2,0,0]=4 9543 B15R0.3221 C#CC(C)NC(=O)CCCCCCCCC 1626a_100000707721_100000210558 [0,2,0,0,0,0|2,0,0]=4 9544 B15R0.3221 C#CC(C)NC(=O)CCCCCCCCC 240690a_100000707721_100000210558 [0,2,0,0,0,0|2,0,0]=4 9545 B15R0.3221 C#CC(C)NC(=O)CCCCCCCCC 527a_100000707721_100000210558 [0,2,0,0,0,0|2,0,0]=4 9546 B15R0.3221 C#CC(C)NC(=O)NCCCCCCCC 2708a_100000229939_100000707721 [0,2,0,0,0,0|2,0,0]=4 9547 B15R0.3221 C#CC(C)NC(=O)NCCCCCCCC 2708a_100000707721_100000229939 [0,2,0,0,0,0|2,0,0]=4 9548 B15R0.3221 C#CC(C)NC(=O)NCCCCCCCC 273464a_100000229939_100000707721 [0,2,0,0,0,0|2,0,0]=4 9549 B15R0.3221 C#CC(C)NC(=O)NCCCCCCCC 273464a_100000707721_100000229939 [0,2,0,0,0,0|2,0,0]=4 9550 B15R0.3221 C#CC(C)NC(=O)NCCCCCCCC 512a_100000229939_100000707721 [0,2,0,0,0,0|2,0,0]=4 9551 B15R0.3221 C#CC(C)NC(=O)NCCCCCCCC 512a_100000707721_100000229939 [0,2,0,0,0,0|2,0,0]=4 9552 B15R0.3221 C=CC(C)CC(=O)CCCCCCCCC 1458a_100011934298_100000210670 [0,2,0,0,0,0|1,0,0]=3 9553 B15R0.3221 C=CC(C)CC(=O)CCCCCCCCO 1458a_100011934298_100000033203 [0,2,0,0,0,0|2,0,0]=4 9554 B15R0.3221 C=CC(C)CC(=O)NCCCCCCCC 11a_100000229939_100011934298 [0,2,0,0,0,0|1,0,0]=3 9555 B15R0.3221 C=CC(C)CC(=O)NCCCCCCCC 1626a_100000229939_100011934298 [0,2,0,0,0,0|1,0,0]=3 9556 B15R0.3221 C=CC(C)CC(=O)NCCCCCCCC 240690a_100000229939_100011934298 [0,2,0,0,0,0|1,0,0]=3 9557 B15R0.3221 C=CC(C)CC(=O)NCCCCCCCC 527a_100000229939_100011934298 [0,2,0,0,0,0|1,0,0]=3 9558 B15R0.3221 C=CC(C)CC(=O)NCCCCCCCO 240690a_100011996573_100011934298 [0,2,0,0,0,0|2,0,0]=4 9559 B15R0.3221 C=CC(C)CC(=O)NCCCOCCCC 1626a_200000211371_100011934298 [0,2,0,0,0,0|2,0,0]=4 9560 B15R0.3221 C=CC(C)CC(=O)NCCCOCCCC 240690a_200000211371_100011934298 [0,2,0,0,0,0|2,0,0]=4 9561 B15R0.3221 C=CC(C)CC(=O)NCCCOCCCC 527a_200000211371_100011934298 [0,2,0,0,0,0|2,0,0]=4 9562 B15R0.3221 CCC(C)CC(=O)CCCCCCCCO 1458a_100000708755_100000033203 [0,2,0,0,0,0|2,0,0]=4 9563 B15R0.3221 CCC(C)CC(=O)NCCCCCCCO 240690a_100011996573_100000708755 [0,2,0,0,0,0|2,0,0]=4 9564 B15R0.3221 CCC(C)NC(=O)CCCCCCCCO 240690a_100000209981_100000015970 [0,2,0,0,0,0|2,0,0]=4 9565 B15R0.3221 CCC(C)NC(=O)NCCCCCCCO 2708a_100000209981_100011996573 [0,2,0,0,0,0|2,0,0]=4 9566 B15R0.3221 CCC(C)NC(=O)NCCCCCCCO 2708a_100011996573_100000209981 [0,2,0,0,0,0|2,0,0]=4 9567 B15R0.3221 CCC(C)NC(=O)NCCCCCCCO 273464a_100000209981_100011996573 [0,2,0,0,0,0|2,0,0]=4 9568 B15R0.3221 CCC(C)NC(=O)NCCCCCCCO 273464a_100011996573_100000209981 [0,2,0,0,0,0|2,0,0]=4 9569 B15R0.3221 CCC(C)NC(=O)NCCCCCCCO 512a_100000209981_100011996573 [0,2,0,0,0,0|2,0,0]=4 9570 B15R0.3221 CCC(C)NC(=O)NCCCCCCCO 512a_100011996573_100000209981 [0,2,0,0,0,0|2,0,0]=4 9571 B15R0.3221 CCC(O)CC(=O)CCCCCCCCO 1458a_100011667805_100000033203 [0,2,0,0,0,0|2,0,0]=4 9572 B15R0.3221 CCC(O)CC(=O)NCCCCCCCO 240690a_100011996573_100011667805 [0,2,0,0,0,0|2,0,0]=4 9573 B15R0.3221 CCCCCCCC=CC(=O)CC(=O)CC 1458a_200015332781_100000747405 [0,2,0,0,0,0|1,0,1]=4 9574 B15R0.3221 CCCCCCCC=CC(=O)CC(C)CC 1458a_200015332781_100000748023 [0,2,0,0,0,0|1,0,1]=4 9575 B15R0.3221 CCCCCCCC=CC(=O)CC(O)CC 1458a_200015332781_100011218378 [0,2,0,0,0,0|1,0,1]=4 9576 B15R0.3221 CCCCCCCC=CC(=O)C[C@@H](C)CC 1458a_200015332781_100009816398 [0,2,0,0,0,0|1,0,1]=4 9577 B15R0.3221 CCCCCCCC=CC(=O)C[C@@H](C)CO 1458a_200015332781_100000059175 [0,2,0,0,0,0|1,0,1]=4 9578 B15R0.3221 CCCCCCCC=CC(=O)NC(C)CC 11a_100000209981_200015332781 [0,2,0,0,0,0|1,0,1]=4 9579 B15R0.3221 CCCCCCCC=CC(=O)NC(C)CC 1626a_100000209981_200015332781 [0,2,0,0,0,0|1,0,1]=4 9580 B15R0.3221 CCCCCCCC=CC(=O)NC(C)CC 240690a_100000209981_200015332781 [0,2,0,0,0,0|1,0,1]=4 9581 B15R0.3221 CCCCCCCCCC(=O)C=C(C)CC 1458a_100020758463_100000210670 [0,2,0,0,0,0|1,0,1]=4 9582 B15R0.3221 CCCCCCCCCC(=O)CC(=O)CC 1458a_100000210558_100000747405 [0,2,0,0,0,0|1,0,0]=3 9583 B15R0.3221 CCCCCCCCCC(=O)CC(=O)NC 1458a_100000210558_100000183359 [0,2,0,0,0,0|1,0,1]=4 9584 B15R0.3221 CCCCCCCCCC(=O)CC(=O)OC 1458a_100000210558_100000747449 [0,2,0,0,0,0|1,0,1]=4 9585 B15R0.3221 CCCCCCCCCC(=O)CC(=O)OC 1458a_100000211351_100000210670 [0,2,0,0,0,0|1,0,1]=4 9586 B15R0.3221 CCCCCCCCCC(=O)CC(C)CC 1458a_100000210558_100000748023 [0,2,0,0,0,0|1,0,0]=3 9587 B15R0.3221 CCCCCCCCCC(=O)CC(C)CC 1458a_100000708755_100000210670 [0,2,0,0,0,0|1,0,0]=3 9588 B15R0.3221 CCCCCCCCCC(=O)CC(O)CC 1458a_100000210558_100011218378 [0,2,0,0,0,0|1,0,0]=3 9589 B15R0.3221 CCCCCCCCCC(=O)CC(O)CC 1458a_100011667805_100000210670 [0,2,0,0,0,0|1,0,0]=3 9590 B15R0.3221 CCCCCCCCCC(=O)CN(C)CC 1458a_100116209913_100000210670 [0,2,0,0,0,0|1,0,0]=3 9591 B15R0.3221 CCCCCCCCCC(=O)C[C@@H](C)CC 1458a_100000210558_100009816398 [0,2,0,0,0,0|1,0,0]=3 9592 B15R0.3221 CCCCCCCCCC(=O)C[C@@H](C)CO 1458a_100000210558_100000059175 [0,2,0,0,0,0|1,0,0]=3 9593 B15R0.3221 CCCCCCCCCC(=O)NC(C)C#N 11a_100000737613_100000210558 [0,2,0,0,0,0|2,0,0]=4 9594 B15R0.3221 CCCCCCCCCC(=O)NC(C)C#N 1626a_100000737613_100000210558 [0,2,0,0,0,0|2,0,0]=4 9595 B15R0.3221 CCCCCCCCCC(=O)NC(C)C#N 527a_100000737613_100000210558 [0,2,0,0,0,0|2,0,0]=4 9596 B15R0.3221 CCCCCCCCCC(=O)NC(C)CC 11a_100000209981_100000210558 [0,2,0,0,0,0|1,0,0]=3 9597 B15R0.3221 CCCCCCCCCC(=O)NC(C)CC 1626a_100000209981_100000210558 [0,2,0,0,0,0|1,0,0]=3 9598 B15R0.3221 CCCCCCCCCC(=O)NC(C)CC 240690a_100000209981_100000210558 [0,2,0,0,0,0|1,0,0]=3 9599 B15R0.3221 CCCCCCCCCC(=O)NC(C)CC 527a_100000209981_100000210558 [0,2,0,0,0,0|1,0,0]=3 9600 B15R0.3221 CCCCCCCCCC(=O)N[C@H](C)CF 11a_100102880703_100000210558 [0,2,0,0,0,0|2,0,0]=4 9601 B15R0.3221 CCCCCCCCCC(=O)N[C@H](C)CF 1626a_100102880703_100000210558 [0,2,0,0,0,0|2,0,0]=4 9602 B15R0.3221 CCCCCCCCCC(=O)N[C@H](C)CF 240690a_100102880703_100000210558 [0,2,0,0,0,0|2,0,0]=4 9603 B15R0.3221 CCCCCCCCCC(=O)N[C@H](C)CF 527a_100102880703_100000210558 [0,2,0,0,0,0|2,0,0]=4 9604 B15R0.3221 CCCCCCCCCC(=O)N[C@H](C)CO 240690a_100000737577_100000210558 [0,2,0,0,0,0|2,0,0]=4 9605 B15R0.3221 CCCCCCCCCC(=O)N[C@H](C)CO 527a_100000737577_100000210558 [0,2,0,0,0,0|2,0,0]=4 9606 B15R0.3221 CCCCCCCCNC(=O)C=C(C)CC 11a_100000229939_100020758463 [0,2,0,0,0,0|1,0,1]=4 9607 B15R0.3221 CCCCCCCCNC(=O)C=C(C)CC 1626a_100000229939_100020758463 [0,2,0,0,0,0|1,0,1]=4 9608 B15R0.3221 CCCCCCCCNC(=O)C=C(C)CC 240690a_100000229939_100020758463 [0,2,0,0,0,0|1,0,1]=4 9609 B15R0.3221 CCCCCCCCNC(=O)CC(=O)OC 240690a_100000229939_100000211351 [0,2,0,0,0,0|1,0,1]=4 9610 B15R0.3221 CCCCCCCCNC(=O)CC(C)CC 11a_100000229939_100000708755 [0,2,0,0,0,0|1,0,0]=3 9611 B15R0.3221 CCCCCCCCNC(=O)CC(C)CC 1626a_100000229939_100000708755 [0,2,0,0,0,0|1,0,0]=3 9612 B15R0.3221 CCCCCCCCNC(=O)CC(C)CC 240690a_100000229939_100000708755 [0,2,0,0,0,0|1,0,0]=3 9613 B15R0.3221 CCCCCCCCNC(=O)CC(C)CC 527a_100000229939_100000708755 [0,2,0,0,0,0|1,0,0]=3 9614 B15R0.3221 CCCCCCCCNC(=O)CC(O)CC 1626a_100000229939_100011667805 [0,2,0,0,0,0|1,0,0]=3 9615 B15R0.3221 CCCCCCCCNC(=O)CC(O)CC 240690a_100000229939_100011667805 [0,2,0,0,0,0|1,0,0]=3 9616 B15R0.3221 CCCCCCCCNC(=O)CN(C)CC 240690a_100000229939_100116209913 [0,2,0,0,0,0|1,0,0]=3 9617 B15R0.3221 CCCCCCCCNC(=O)CN(C)CC 527a_100000229939_100116209913 [0,2,0,0,0,0|1,0,0]=3 9618 B15R0.3221 CCCCCCCCNC(=O)NC(C)C#N 2708a_100000229939_100000737613 [0,2,0,0,0,0|2,0,0]=4 9619 B15R0.3221 CCCCCCCCNC(=O)NC(C)C#N 2708a_100000737613_100000229939 [0,2,0,0,0,0|2,0,0]=4 9620 B15R0.3221 CCCCCCCCNC(=O)NC(C)C#N 273464a_100000229939_100000737613 [0,2,0,0,0,0|2,0,0]=4 9621 B15R0.3221 CCCCCCCCNC(=O)NC(C)C#N 273464a_100000737613_100000229939 [0,2,0,0,0,0|2,0,0]=4 9622 B15R0.3221 CCCCCCCCNC(=O)NC(C)C#N 512a_100000229939_100000737613 [0,2,0,0,0,0|2,0,0]=4 9623 B15R0.3221 CCCCCCCCNC(=O)NC(C)C#N 512a_100000737613_100000229939 [0,2,0,0,0,0|2,0,0]=4 9624 B15R0.3221 CCCCCCCCNC(=O)NC(C)CC 2708a_100000209981_100000229939 [0,2,0,0,0,0|1,0,0]=3 9625 B15R0.3221 CCCCCCCCNC(=O)NC(C)CC 2708a_100000229939_100000209981 [0,2,0,0,0,0|1,0,0]=3 9626 B15R0.3221 CCCCCCCCNC(=O)NC(C)CC 273464a_100000209981_100000229939 [0,2,0,0,0,0|1,0,0]=3 9627 B15R0.3221 CCCCCCCCNC(=O)NC(C)CC 273464a_100000229939_100000209981 [0,2,0,0,0,0|1,0,0]=3 9628 B15R0.3221 CCCCCCCCNC(=O)NC(C)CC 512a_100000209981_100000229939 [0,2,0,0,0,0|1,0,0]=3 9629 B15R0.3221 CCCCCCCCNC(=O)NC(C)CC 512a_100000229939_100000209981 [0,2,0,0,0,0|1,0,0]=3 9630 B15R0.3221 CCCCCCCCNC(=O)N[C@H](C)CF 2708a_100000229939_100102880703 [0,2,0,0,0,0|2,0,0]=4 9631 B15R0.3221 CCCCCCCCNC(=O)N[C@H](C)CF 273464a_100000229939_100102880703 [0,2,0,0,0,0|2,0,0]=4 9632 B15R0.3221 CCCCCCCCNC(=O)N[C@H](C)CF 273464a_100102880703_100000229939 [0,2,0,0,0,0|2,0,0]=4 9633 B15R0.3221 CCCCCCCCNC(=O)N[C@H](C)CF 512a_100000229939_100102880703 [0,2,0,0,0,0|2,0,0]=4 9634 B15R0.3221 CCCCCCCCNC(=O)N[C@H](C)CF 512a_100102880703_100000229939 [0,2,0,0,0,0|2,0,0]=4 9635 B15R0.3221 CCCCCCCCNC(=O)N[C@H](C)CO 2708a_100000229939_100000737577 [0,2,0,0,0,0|2,0,0]=4 9636 B15R0.3221 CCCCCCCCNC(=O)N[C@H](C)CO 273464a_100000737577_100000229939 [0,2,0,0,0,0|2,0,0]=4 9637 B15R0.3221 CCCCCCCCNC(=O)N[C@H](C)CO 512a_100000229939_100000737577 [0,2,0,0,0,0|2,0,0]=4 9638 B15R0.3221 CCCCCCCCNC(=O)N[C@H](C)CO 512a_100000737577_100000229939 [0,2,0,0,0,0|2,0,0]=4 9639 B15R0.3221 CCCCCCCNCC(=O)NC(C)CC 2230a_100000229938_100000182745 [0,2,0,0,0,0|2,0,0]=4 9640 B15R0.3221 CCCCCCCOCC(=O)NC(C)CC 34a_100000210272_100000182745 [0,2,0,0,0,0|2,0,0]=4 9641 B15R0.3221 CCCCCCCOCC(=O)NC(C)CC 7a_100000210272_100000182745 [0,2,0,0,0,0|2,0,0]=4 9642 B15R0.3221 CCCCCCCSCC(=O)NC(C)CC 62a_100000182745_100000210316 [0,2,0,0,0,0|2,0,0]=4 9643 B15R0.3221 CCCCCCCSCC(=O)NC(C)CC 62a_100000210614_100000182745 [0,2,0,0,0,0|2,0,0]=4 9644 B15R0.3221 CCCCOCCCNC(=O)CC(C)CC 1626a_200000211371_100000708755 [0,2,0,0,0,0|2,0,0]=4 9645 B15R0.3221 CCCCOCCCNC(=O)CC(C)CC 240690a_200000211371_100000708755 [0,2,0,0,0,0|2,0,0]=4 9646 B15R0.3221 CCCCOCCCNC(=O)CC(C)CC 527a_200000211371_100000708755 [0,2,0,0,0,0|2,0,0]=4 9647 B15R0.3221 CCCCOCCCNC(=O)CC(O)CC 1626a_200000211371_100011667805 [0,2,0,0,0,0|2,0,0]=4 9648 B15R0.3221 CCCCOCCCNC(=O)CC(O)CC 240690a_200000211371_100011667805 [0,2,0,0,0,0|2,0,0]=4 9649 B15R0.3221 CCCCOCCCNC(=O)CN(C)CC 240690a_200000211371_100116209913 [0,2,0,0,0,0|2,0,0]=4 9650 B15R0.3221 CCCCOCCCNC(=O)CN(C)CC 527a_200000211371_100116209913 [0,2,0,0,0,0|2,0,0]=4 9651 B15R0.3221 CCCCOCCCNC(=O)NC(C)CC 2708a_100000209981_200000211371 [0,2,0,0,0,0|2,0,0]=4 9652 B15R0.3221 CCCCOCCCNC(=O)NC(C)CC 2708a_200000211371_100000209981 [0,2,0,0,0,0|2,0,0]=4 9653 B15R0.3221 CCCCOCCCNC(=O)NC(C)CC 273464a_100000209981_200000211371 [0,2,0,0,0,0|2,0,0]=4 9654 B15R0.3221 CCCCOCCCNC(=O)NC(C)CC 273464a_200000211371_100000209981 [0,2,0,0,0,0|2,0,0]=4 9655 B15R0.3221 CCCCOCCCNC(=O)NC(C)CC 512a_100000209981_200000211371 [0,2,0,0,0,0|2,0,0]=4 9656 B15R0.3221 CCCCOCCCNC(=O)NC(C)CC 512a_200000211371_100000209981 [0,2,0,0,0,0|2,0,0]=4 9657 B15R0.3221 CCN(C)CC(=O)CCCCCCCCO 1458a_100116209913_100000033203 [0,2,0,0,0,0|2,0,0]=4 9658 B15R0.3221 CCN(C)CC(=O)NCCCCCCCO 240690a_100011996573_100116209913 [0,2,0,0,0,0|2,0,0]=4 9659 B15R0.3232 CC(C)(C)CC(=O)CCCCCCCCO 1458a_100000211214_100000033203 [0,2,0,0,0,0|2,0,0]=4 9660 B15R0.3232 CC(C)(C)CC(=O)NCCCCCCCO 240690a_100011996573_100000211214 [0,2,0,0,0,0|2,0,0]=4 9661 B15R0.3232 CC(C)(C)CC(=O)OCNCCCCCO 2230a_100000762737_200010999194 [0,2,0,0,0,0|2,0,0]=4 9662 B15R0.3232 CC(C)(C)CC(=O)OCNCCCCCO 34a_100000762737_200010999194 [0,2,0,0,0,0|2,0,0]=4 9663 B15R0.3232 CC(C)(C)CC(=O)OCOCCCCCBr 34a_100000746331_200010999194 [0,2,0,0,0,0|2,0,0]=4 9664 B15R0.3232 CC(C)(C)CC(=O)OCOCCCCCBr 7a_100000746331_200010999194 [0,2,0,0,0,0|2,0,0]=4 9665 B15R0.3232 CC(C)(C)CC(=O)OCOCCCCCCl 34a_100000746330_200010999194 [0,2,0,0,0,0|2,0,0]=4 9666 B15R0.3232 CC(C)(C)CC(=O)OCOCCCCCCl 7a_100000746330_200010999194 [0,2,0,0,0,0|2,0,0]=4 9667 B15R0.3232 CC(C)(C)CC(=O)OCOCCCCCI 34a_200012148887_200010999194 [0,2,0,0,0,0|2,0,0]=4 9668 B15R0.3232 CC(C)(C)CC(=O)OCOCCCCCI 7a_200012148887_200010999194 [0,2,0,0,0,0|2,0,0]=4 9669 B15R0.3232 CC(C)(C)CC(=O)OCOCCCCCN 34a_100000762737_200010999194 [0,2,0,0,0,0|2,0,0]=4 9670 B15R0.3232 CC(C)(C)CC(=O)OCSCCCCCF 62a_100000729378_200010999194 [0,2,0,0,0,0|2,0,0]=4 9671 B15R0.3232 CC(C)(C)CC(=O)OCSCCCCCF 62a_200010999194_100000729378 [0,2,0,0,0,0|2,0,0]=4 9672 B15R0.3232 CC(C)(C)CC(=O)OCSCCCCCO 62a_100000746330_200010999194 [0,2,0,0,0,0|2,0,0]=4 9673 B15R0.3232 CC(C)(C)CC(=O)OCSCCCCCO 62a_200010999194_100000746330 [0,2,0,0,0,0|2,0,0]=4 9674 B15R0.3232 CC(C)(O)CC(=O)CCCCCCCCO 1458a_100000693243_100000033203 [0,2,0,0,0,0|2,0,0]=4 9675 B15R0.3232 CCCCCCCCCC(=O)CC(C)(C)C 1458a_100000211214_100000210670 [0,2,0,0,0,0|1,0,0]=3 9676 B15R0.3232 CCCCCCCCCC(=O)CC(C)(C)O 1458a_100000693243_100000210670 [0,2,0,0,0,0|1,0,0]=3 9677 B15R0.3232 CCCCCCCCCC(=O)CC(F)(F)F 1458a_100000245130_100000210670 [0,2,0,0,0,0|2,0,0]=4 9678 B15R0.3232 CCCCCCCCCC(=O)CS(=O)(=O)C 1458a_100000744497_100000210670 [0,2,0,0,0,0|2,0,0]=4 9679 B15R0.3232 CCCCCCCCCC(=O)C[N+](C)(C)C 1458a_100000033712_100000210670 [0,2,0,0,0,0|2,0,0]=4 9680 B15R0.3232 CCCCCCCCCC(=O)C[Si](C)(C)C 1458a_100000210558_100000233785 [0,2,0,0,0,0|1,1,0]=4 9681 B15R0.3232 CCCCCCCCCC(=O)C[Si](C)(C)C 1458a_100011218504_100000210670 [0,2,0,0,0,0|1,1,0]=4 9682 B15R0.3232 CCCCCCCCCC(=O)NC(C)(C)C 11a_100000715429_100000210558 [0,2,0,0,0,0|2,0,0]=4 9683 B15R0.3232 CCCCCCCCCC(=O)NC(C)(C)C 1626a_100000715429_100000210558 [0,2,0,0,0,0|2,0,0]=4 9684 B15R0.3232 CCCCCCCCCC(=O)NC(C)(C)C 240690a_100000715429_100000210558 [0,2,0,0,0,0|2,0,0]=4 9685 B15R0.3232 CCCCCCCCCC(=O)NC(C)(C)C 527a_100000715429_100000210558 [0,2,0,0,0,0|2,0,0]=4 9686 B15R0.3232 CCCCCCCCNC(=O)CC(C)(C)C 11a_100000229939_100000211214 [0,2,0,0,0,0|1,0,0]=3 9687 B15R0.3232 CCCCCCCCNC(=O)CC(C)(C)C 1626a_100000229939_100000211214 [0,2,0,0,0,0|1,0,0]=3 9688 B15R0.3232 CCCCCCCCNC(=O)CC(C)(C)C 240690a_100000229939_100000211214 [0,2,0,0,0,0|1,0,0]=3 9689 B15R0.3232 CCCCCCCCNC(=O)CC(C)(C)C 527a_100000229939_100000211214 [0,2,0,0,0,0|1,0,0]=3 9690 B15R0.3232 CCCCCCCCNC(=O)CC(C)(C)O 527a_100000229939_100000693243 [0,2,0,0,0,0|1,0,0]=3 9691 B15R0.3232 CCCCCCCCNC(=O)CC(F)(F)F 11a_100000229939_100000245130 [0,2,0,0,0,0|2,0,0]=4 9692 B15R0.3232 CCCCCCCCNC(=O)CC(F)(F)F 1626a_100000229939_100000245130 [0,2,0,0,0,0|2,0,0]=4 9693 B15R0.3232 CCCCCCCCNC(=O)CC(F)(F)F 527a_100000229939_100000245130 [0,2,0,0,0,0|2,0,0]=4 9694 B15R0.3232 CCCCCCCCNC(=O)CS(=O)(=O)C 11a_100000229939_100000744497 [0,2,0,0,0,0|2,0,0]=4 9695 B15R0.3232 CCCCCCCCNC(=O)CS(=O)(=O)C 240690a_100000229939_100000744497 [0,2,0,0,0,0|2,0,0]=4 9696 B15R0.3232 CCCCCCCCNC(=O)CS(=O)(=O)C 527a_100000229939_100000744497 [0,2,0,0,0,0|2,0,0]=4 9697 B15R0.3232 CCCCCCCCNC(=O)C[N+](C)(C)C 11a_100000229939_100000033712 [0,2,0,0,0,0|2,0,0]=4 9698 B15R0.3232 CCCCCCCCNC(=O)C[N+](C)(C)C 1626a_100000229939_100000033712 [0,2,0,0,0,0|2,0,0]=4 9699 B15R0.3232 CCCCCCCCNC(=O)C[N+](C)(C)C 240690a_100000229939_100000033712 [0,2,0,0,0,0|2,0,0]=4 9700 B15R0.3232 CCCCCCCCNC(=O)C[N+](C)(C)C 527a_100000229939_100000033712 [0,2,0,0,0,0|2,0,0]=4 9701 B15R0.3232 CCCCCCCCNC(=O)C[Si](C)(C)C 11a_100000229939_100011218504 [0,2,0,0,0,0|1,1,0]=4 9702 B15R0.3232 CCCCCCCCNC(=O)C[Si](C)(C)C 1626a_100000229939_100011218504 [0,2,0,0,0,0|1,1,0]=4 9703 B15R0.3232 CCCCCCCCNC(=O)NC(C)(C)C 2708a_100000229939_100000715429 [0,2,0,0,0,0|2,0,0]=4 9704 B15R0.3232 CCCCCCCCNC(=O)NC(C)(C)C 273464a_100000229939_100000715429 [0,2,0,0,0,0|2,0,0]=4 9705 B15R0.3232 CCCCCCCCNC(=O)NC(C)(C)C 273464a_100000715429_100000229939 [0,2,0,0,0,0|2,0,0]=4 9706 B15R0.3232 CCCCCCCCNC(=O)NC(C)(C)C 512a_100000715429_100000229939 [0,2,0,0,0,0|2,0,0]=4 9707 B15R0.3232 CCCCCCCCOC(C)CC(C)(C)C 7a_200011218616_100000210759 [0,2,0,0,0,0|1,0,1]=4 9708 B15R0.3232 CCCCCCNCOC(=O)CC(C)(C)C 2230a_100000210581_200010999194 [0,2,0,0,0,0|1,0,0]=3 9709 B15R0.3232 CCCCCCOCOC(=O)CC(C)(C)C 34a_100000210259_200010999194 [0,2,0,0,0,0|1,0,0]=3 9710 B15R0.3232 CCCCCCOCOC(=O)CC(C)(C)C 7a_100000210259_200010999194 [0,2,0,0,0,0|1,0,0]=3 9711 B15R0.3232 CCCCCCSCOC(=O)CC(C)(C)C 62a_100000210314_200010999194 [0,2,0,0,0,0|1,0,0]=3 9712 B15R0.3232 CCCCCCSCOC(=O)CC(C)(C)C 62a_200010999194_100000210757 [0,2,0,0,0,0|1,0,0]=3 9713 B15R0.3232 CCCCOCCCNC(=O)CC(C)(C)C 1626a_200000211371_100000211214 [0,2,0,0,0,0|2,0,0]=4 9714 B15R0.3232 CCCCOCCCNC(=O)CC(C)(C)C 240690a_200000211371_100000211214 [0,2,0,0,0,0|2,0,0]=4 9715 B15R0.3232 CCCCOCCCNC(=O)CC(C)(C)C 527a_200000211371_100000211214 [0,2,0,0,0,0|2,0,0]=4 9716 B15R0.3232 CCCCOCCCNC(=O)CC(C)(C)O 527a_200000211371_100000693243 [0,2,0,0,0,0|2,0,0]=4 9717 B15R0.3232 CCCCOCSCOC(=O)CC(C)(C)C 62a_100011995733_200010999194 [0,2,0,0,0,0|2,0,0]=4 9718 B15R0.3232 CCCCOCSCOC(=O)CC(C)(C)C 62a_200010999194_100011995733 [0,2,0,0,0,0|2,0,0]=4 9719 B15R0.3232 CCCOCCNCOC(=O)CC(C)(C)C 2230a_100161115042_200010999194 [0,2,0,0,0,0|2,0,0]=4 9720 B15R0.3232 CCCOCCNCOC(=O)CC(C)(C)C 34a_100161115042_200010999194 [0,2,0,0,0,0|2,0,0]=4 9721 B15R0.3232 CCCOCCOCOC(=O)CC(C)(C)C 34a_100000752267_200010999194 [0,2,0,0,0,0|2,0,0]=4 9722 B15R0.3232 CCCOCCOCOC(=O)CC(C)(C)C 7a_100000752267_200010999194 [0,2,0,0,0,0|2,0,0]=4 9723 B15R0.3232 CCCOCCSCOC(=O)CC(C)(C)C 62a_100011215938_200010999194 [0,2,0,0,0,0|2,0,0]=4 9724 B15R0.3232 CCCOCCSCOC(=O)CC(C)(C)C 62a_200010999194_100011215938 [0,2,0,0,0,0|2,0,0]=4 9725 B15R0.3232 CCCSCCNCOC(=O)CC(C)(C)C 2230a_100020603323_200010999194 [0,2,0,0,0,0|2,0,0]=4 9726 B15R0.3232 CCCSCCOCOC(=O)CC(C)(C)C 34a_200000230433_200010999194 [0,2,0,0,0,0|2,0,0]=4 9727 B15R0.3232 CCCSCCOCOC(=O)CC(C)(C)C 7a_200000230433_200010999194 [0,2,0,0,0,0|2,0,0]=4 9728 B15R0.3232 CCOCCCNCOC(=O)CC(C)(C)C 2230a_100000210961_200010999194 [0,2,0,0,0,0|2,0,0]=4 9729 B15R0.3232 CCOCCCNCOC(=O)CC(C)(C)C 34a_100000210961_200010999194 [0,2,0,0,0,0|2,0,0]=4 9730 B15R0.3232 CCOCCCOCOC(=O)CC(C)(C)C 34a_100000757476_200010999194 [0,2,0,0,0,0|2,0,0]=4 9731 B15R0.3232 CCOCCCOCOC(=O)CC(C)(C)C 7a_100000757476_200010999194 [0,2,0,0,0,0|2,0,0]=4 9732 B15R0.3232 CCOCCCSCOC(=O)CC(C)(C)C 62a_100012232248_200010999194 [0,2,0,0,0,0|2,0,0]=4 9733 B15R0.3232 CCOCCCSCOC(=O)CC(C)(C)C 62a_200010999194_100012232248 [0,2,0,0,0,0|2,0,0]=4 9734 B15R0.3232 CCSCCCOCOC(=O)CC(C)(C)C 34a_100011216438_200010999194 [0,2,0,0,0,0|2,0,0]=4 9735 B15R0.3232 CCSCCCOCOC(=O)CC(C)(C)C 7a_100011216438_200010999194 [0,2,0,0,0,0|2,0,0]=4 9736 B15R0.3232 COCCCCOCOC(=O)CC(C)(C)C 34a_100000740925_200010999194 [0,2,0,0,0,0|2,0,0]=4 9737 B15R0.3232 COCCCCSCOC(=O)CC(C)(C)C 62a_100000730899_200010999194 [0,2,0,0,0,0|2,0,0]=4 9738 B15R0.3232 COCCCCSCOC(=O)CC(C)(C)C 62a_200010999194_100000730899 [0,2,0,0,0,0|2,0,0]=4 9739 B15R0.3232 CSCCCCOCOC(=O)CC(C)(C)C 34a_100011217163_200010999194 [0,2,0,0,0,0|2,0,0]=4 9740 B15R0.3232 CSCCCCOCOC(=O)CC(C)(C)C 7a_100011217163_200010999194 [0,2,0,0,0,0|2,0,0]=4 9741 B15R0.5055 CCCCCCCCNS(=O)(=O)CC(C)C 270084a_100000229939_100000748289 [0,2,0,0,0,0|2,0,0]=4 9742 B15R0.5055 CCCCCCCCNS(=O)(=O)CC(C)C 274078a_100000229939_100000748289 [0,2,0,0,0,0|2,0,0]=4 9743 B15R0.18 CCCCCCC(=O)CCCC(=O)NCC 1458a_100000199580_100000210757 [0,2,0,0,0,0|2,0,0]=4 9744 B15R0.18 CCCCCCC(=O)CCCC(=O)OCC 1458a_100000210991_100000210757 [0,2,0,0,0,0|2,0,0]=4 9745 B15R0.18 CCCCCCC(=O)CCCC(=O)OCC 1458a_100102632555_100011215271 [0,2,0,0,0,0|2,0,0]=4 9746 B15R0.18 CCCCCCC(=O)CCNC(=O)OCC 1458a_100102632555_200011445536 [0,2,0,0,0,0|2,0,0]=4 9747 B15R0.18 CCCCCCC(C)CCOC(C)CCC 34a_200011024964_100000766640 [0,2,0,0,0,0|1,0,1]=4 9748 B15R0.18 CCCCCCC(C)CCOC(C)CCC 7a_200011024964_100000766640 [0,2,0,0,0,0|1,0,1]=4 9749 B15R0.18 CCCCCCC(C)NCCC(=O)NCC 2230a_100000210919_100000737597 [0,2,0,0,0,0|2,0,0]=4 9750 B15R0.18 CCCCCCC(C)NCCC(=O)NCC 270004a_100025743525_100000210826 [0,2,0,0,0,0|2,0,0]=4 9751 B15R0.18 CCCCCCC(C)NCCC(=O)NCC 34a_100025743525_100011215978 [0,2,0,0,0,0|2,0,0]=4 9752 B15R0.18 CCCCCCC(C)NCCC(=O)OCC 2230a_100000210919_100011206558 [0,2,0,0,0,0|2,0,0]=4 9753 B15R0.18 CCCCCCC(C)NCCC(=O)OCC 34a_100000210919_100000765890 [0,2,0,0,0,0|2,0,0]=4 9754 B15R0.18 CCCCCCC(C)NCOC(=O)CCC 2230a_100000210919_100000034017 [0,2,0,0,0,0|0,0,0]=2 9755 B15R0.18 CCCCCCC(C)NCOC(=O)CCC 34a_100000210919_100000034017 [0,2,0,0,0,0|0,0,0]=2 9756 B15R0.18 CCCCCCC(C)OCCC(=O)NCC 7a_100000210265_100000737597 [0,2,0,0,0,0|2,0,0]=4 9757 B15R0.18 CCCCCCC(C)OCCC(=O)OCC 34a_100000210265_100000765890 [0,2,0,0,0,0|2,0,0]=4 9758 B15R0.18 CCCCCCC(C)OCCC(=O)OCC 7a_100000210265_100011206558 [0,2,0,0,0,0|2,0,0]=4 9759 B15R0.18 CCCCCCC(C)OCOC(=O)CCC 34a_100000210265_100000034017 [0,2,0,0,0,0|0,0,0]=2 9760 B15R0.18 CCCCCCC(C)SCCC(=O)NCC 62a_100000737597_100011215978 [0,2,0,0,0,0|2,0,0]=4 9761 B15R0.18 CCCCCCC(C)SCCC(=O)NCC 62a_100011215978_100000737597 [0,2,0,0,0,0|2,0,0]=4 9762 B15R0.18 CCCCCCC(C)SCCC(=O)OCC 62a_100000765890_100011215978 [0,2,0,0,0,0|2,0,0]=4 9763 B15R0.18 CCCCCCC(C)SCCC(=O)OCC 62a_100011215978_100000765890 [0,2,0,0,0,0|2,0,0]=4 9764 B15R0.18 CCCCCCC(C)SCOC(=O)CCC 62a_100011215978_100000034017 [0,2,0,0,0,0|0,0,0]=2 9765 B15R0.18 CCCCCCC(C)SCOC(=O)OCC 62a_100011215978_100000075025 [0,2,0,0,0,0|1,0,0]=3 9766 B15R0.18 CCCCCCN(C)CCCC(=O)OCC 2230a_106256046315_100009991533 [0,2,0,0,0,0|2,0,0]=4 9767 B15R0.18 CCCCCCN(C)CCCC(=O)OCC 269982a_106256046315_100009991533 [0,2,0,0,0,0|2,0,0]=4 9768 B15R0.18 CCCCCCN(C)CCNC(=O)OCC 269982a_106256046315_200011445536 [0,2,0,0,0,0|2,0,0]=4 9769 B15R0.18 CCCCOCC(C)OCOC(=O)CCC 34a_100011217071_100000034017 [0,2,0,0,0,0|1,0,0]=3 9770 B15R0.111 CCCC(=O)CNCCCCCCC(C)C 2230a_100000211014_100000747444 [0,2,0,0,0,0|1,0,0]=3 9771 B15R0.111 CCCC(=O)NCCCCCCNC(=O)C 11a_200011996284_100000211992 [0,2,0,0,0,0|1,0,1]=4 9772 B15R0.111 CCCC(=O)NCCCCCCNC(=O)C 1626a_200011996284_100000211992 [0,2,0,0,0,0|1,0,1]=4 9773 B15R0.111 CCCC(=O)NCCCCCCNC(=O)C 240690a_200011996284_100000211992 [0,2,0,0,0,0|1,0,1]=4 9774 B15R0.111 CCCC(=O)NCCCCCCNC(=O)C 527a_200011996284_100000211992 [0,2,0,0,0,0|1,0,1]=4 9775 B15R0.111 CCCC(=O)NCCCCCCSC(=O)C 11a_100000704104_100000211992 [0,2,0,0,0,0|1,0,1]=4 9776 B15R0.111 CCCC(=O)NCCCCCCSC(=O)C 1626a_100000704104_100000211992 [0,2,0,0,0,0|1,0,1]=4 9777 B15R0.111 CCCC(=O)NCCCCCCSC(=O)C 240690a_100000704104_100000211992 [0,2,0,0,0,0|1,0,1]=4 9778 B15R0.111 CCCC(=O)NCCCCCCSC(=O)C 527a_100000704104_100000211992 [0,2,0,0,0,0|1,0,1]=4 9779 B15R0.111 CCCC(=O)OCNCCCCCC(C)C 2230a_100011290863_100000034017 [0,2,0,0,0,0|0,0,0]=2 9780 B15R0.111 CCCC(=O)OCNCCCCCC(C)C 34a_100011290863_100000034017 [0,2,0,0,0,0|0,0,0]=2 9781 B15R0.111 CCCC(=O)OCNCCCCNC(=O)C 2230a_200011368371_100000034017 [0,2,0,0,0,0|1,0,1]=4 9782 B15R0.111 CCCC(=O)OCNCCCCNC(=O)C 34a_200011368371_100000034017 [0,2,0,0,0,0|1,0,1]=4 9783 B15R0.111 CCCC(=O)OCNCCCOCC(C)C 2230a_100000205972_100000034017 [0,2,0,0,0,0|1,0,0]=3 9784 B15R0.111 CCCC(=O)OCNCCCOCC(C)C 34a_100000205972_100000034017 [0,2,0,0,0,0|1,0,0]=3 9785 B15R0.111 CCCC(=O)OCOCCCCCC(=O)N 34a_100000123541_100000034017 [0,2,0,0,0,0|1,0,1]=4 9786 B15R0.111 CCCC(=O)OCOCCCCCC(C)C 34a_100011995859_100000034017 [0,2,0,0,0,0|0,0,0]=2 9787 B15R0.111 CCCC(=O)OCOCCCCNC(C)C 34a_100011521146_100000034017 [0,2,0,0,0,0|1,0,0]=3 9788 B15R0.111 CCCC(=O)OCOCCCCOC(=O)C 34a_100000073216_100000034017 [0,2,0,0,0,0|1,0,1]=4 9789 B15R0.111 CCCC(=O)OCSCCCCCB(O)O 62a_200009817188_100000034017 [0,2,0,0,0,0|2,0,0]=4 9790 B15R0.111 CCCC(=O)OCSCCCCCC(=O)N 62a_100009817443_100000034017 [0,2,0,0,0,0|1,0,1]=4 9791 B15R0.111 CCCC(=O)OCSCCCCCC(C)C 62a_100000210682_100000034017 [0,2,0,0,0,0|0,0,0]=2 9792 B15R0.111 CCCC(=O)OCSCCCCOC(=O)C 62a_100000033659_100000034017 [0,2,0,0,0,0|1,0,1]=4 9793 B15R0.111 CCCC(=O)OCSCCCCSC(=O)C 62a_200010402107_100000034017 [0,2,0,0,0,0|1,0,1]=4 9794 B15R0.111 CCCC(C)OCCCCCCCC(C)C 34a_200000210741_100000766640 [0,2,0,0,0,0|1,0,1]=4 9795 B15R0.111 CCCC(C)OCCCCCCCC(C)C 7a_200000210741_100000766640 [0,2,0,0,0,0|1,0,1]=4 9796 B15R0.111 CCNC(=O)CCNCCCCCC(C)C 2230a_100011290863_100000737597 [0,2,0,0,0,0|2,0,0]=4 9797 B15R0.111 CCNC(=O)CCNCCCCCC(C)C 34a_100025743525_100000210682 [0,2,0,0,0,0|2,0,0]=4 9798 B15R0.111 CCNC(=O)CCOCCCCCC(C)C 7a_100011995859_100000737597 [0,2,0,0,0,0|2,0,0]=4 9799 B15R0.111 CCNC(=O)CCSCCCCCC(C)C 62a_100000210682_100000737597 [0,2,0,0,0,0|2,0,0]=4 9800 B15R0.111 CCNC(=O)CCSCCCCCC(C)C 62a_100000737597_100000210682 [0,2,0,0,0,0|2,0,0]=4 9801 B15R0.111 CCNC(=O)CNCCCCCCC(C)C 2230a_100000211014_100000183381 [0,2,0,0,0,0|2,0,0]=4 9802 B15R0.111 CCNC(=O)CNCCCCCCC(C)C 34a_100000211014_100000183381 [0,2,0,0,0,0|2,0,0]=4 9803 B15R0.111 CCNC(=O)COCCCCCNC(C)C 34a_100011629493_100000183381 [0,2,0,0,0,0|2,0,0]=4 9804 B15R0.111 CCOC(=O)CCCCCCCCC(=O)C 1458a_100000070787_100010175975 [0,2,0,0,0,0|2,0,0]=4 9805 B15R0.111 CCOC(=O)CCCCCCCCC(=O)C 1458a_200000016031_200000210301 [0,2,0,0,0,0|2,0,0]=4 9806 B15R0.111 CCOC(=O)CCCCCCCCC(=O)[13CH3] 1458a_200000016031_200025704644 [0,2,0,0,0,0|2,0,0]=4 9807 B15R0.111 CCOC(=O)CCCCCCCCN(C)C 2230a_100102631434_100010175975 [0,2,0,0,0,0|2,0,0]=4 9808 B15R0.111 CCOC(=O)CCCCCCCCN(C)C 269982a_100102631434_100010175975 [0,2,0,0,0,0|2,0,0]=4 9809 B15R0.111 CCOC(=O)CCCCCCCNC(C)C 2230a_100138425928_100009991516 [0,2,0,0,0,0|2,0,0]=4 9810 B15R0.111 CCOC(=O)CCCCCCCNC(C)C 34a_100138425928_100009991516 [0,2,0,0,0,0|2,0,0]=4 9811 B15R0.111 CCOC(=O)CCCCCCCOC(C)C 34a_100000212225_100009991516 [0,2,0,0,0,0|2,0,0]=4 9812 B15R0.111 CCOC(=O)CCCCCCCSC(C)C 62a_100000210206_100009991516 [0,2,0,0,0,0|2,0,0]=4 9813 B15R0.111 CCOC(=O)CCCCCCNCC(C)C 2230a_100000210953_100009814379 [0,2,0,0,0,0|2,0,0]=4 9814 B15R0.111 CCOC(=O)CCCCCCNCC(C)C 34a_100000210953_100009814379 [0,2,0,0,0,0|2,0,0]=4 9815 B15R0.111 CCOC(=O)CCCCCCNCC(C)O 2230a_100000210904_100009814379 [0,2,0,0,0,0|2,0,0]=4 9816 B15R0.111 CCOC(=O)CCCCCCNCC(C)O 34a_100000210904_100009814379 [0,2,0,0,0,0|2,0,0]=4 9817 B15R0.111 CCOC(=O)CCCCCCOCC(C)Br 34a_100012180447_100009814379 [0,2,0,0,0,0|2,0,0]=4 9818 B15R0.111 CCOC(=O)CCCCCCOCC(C)C 34a_100000210257_100009814379 [0,2,0,0,0,0|2,0,0]=4 9819 B15R0.111 CCOC(=O)CCCCCCOCC(C)F 34a_100015925927_100009814379 [0,2,0,0,0,0|2,0,0]=4 9820 B15R0.111 CCOC(=O)CCCCCCOC[C@@H](C)Cl 34a_100016084084_100009814379 [0,2,0,0,0,0|2,0,0]=4 9821 B15R0.111 CCOC(=O)CCCCCCOC[C@@H](C)N 34a_100000737577_100009814379 [0,2,0,0,0,0|2,0,0]=4 9822 B15R0.111 CCOC(=O)CCCCCCSCC(C)C 62a_100000210624_100009814379 [0,2,0,0,0,0|2,0,0]=4 9823 B15R0.111 CCOC(=O)CCCCCCSCC(C)O 62a_100011218427_100009814379 [0,2,0,0,0,0|2,0,0]=4 9824 B15R0.111 CCOC(=O)CCCCCCSC[C@@H](C)O 62a_100009817552_100009814379 [0,2,0,0,0,0|2,0,0]=4 9825 B15R0.111 CCOC(=O)CCCCCNCCC(C)O 2230a_200000755665_100000755133 [0,2,0,0,0,0|2,0,0]=4 9826 B15R0.111 CCOC(=O)CCCCCOCCC(C)Br 34a_100009893172_100000755133 [0,2,0,0,0,0|2,0,0]=4 9827 B15R0.111 CCOC(=O)CCCCCOCCC(C)C 34a_100000210254_100000755133 [0,2,0,0,0,0|2,0,0]=4 9828 B15R0.111 CCOC(=O)CCCCCOCCC(C)C 7a_100000210254_100000755133 [0,2,0,0,0,0|2,0,0]=4 9829 B15R0.111 CCOC(=O)CCCCCOCCC(C)C 7a_100011214988_100000210626 [0,2,0,0,0,0|2,0,0]=4 9830 B15R0.111 CCOC(=O)CCCCCOCCC(C)O 7a_100011214988_100012276601 [0,2,0,0,0,0|2,0,0]=4 9831 B15R0.111 CCOC(=O)CCCCCOCC[C@@H](C)N 34a_100000706166_100000755133 [0,2,0,0,0,0|2,0,0]=4 9832 B15R0.111 CCOC(=O)CCCCCSCCC(C)C 62a_100000210312_100000755133 [0,2,0,0,0,0|2,0,0]=4 9833 B15R0.111 CCOC(=O)CCCCCSCCC(C)C 62a_100000755133_100000210312 [0,2,0,0,0,0|2,0,0]=4 9834 B15R0.111 CCOC(=O)CCCCCSCCC(C)O 62a_100000755133_100012276601 [0,2,0,0,0,0|2,0,0]=4 9835 B15R0.111 CCOC(=O)CCCCCSCCC(C)O 62a_100012276601_100000755133 [0,2,0,0,0,0|2,0,0]=4 9836 B15R0.111 CCOC(=O)CCCCNCCCC(C)C 2230a_200000737386_100000750268 [0,2,0,0,0,0|2,0,0]=4 9837 B15R0.111 CCOC(=O)CCCCNCCCC(C)C 34a_200000737386_100000750268 [0,2,0,0,0,0|2,0,0]=4 9838 B15R0.111 CCOC(=O)CCCCOCCCC(C)C 34a_100000210774_100000750268 [0,2,0,0,0,0|2,0,0]=4 9839 B15R0.111 CCOC(=O)CCCCOCCCC(C)C 7a_100000210774_100000750268 [0,2,0,0,0,0|2,0,0]=4 9840 B15R0.111 CCOC(=O)CCCCSCCCC(C)C 62a_100000750268_100011214892 [0,2,0,0,0,0|2,0,0]=4 9841 B15R0.111 CCOC(=O)CCCCSCCCC(C)C 62a_100011214892_100000750268 [0,2,0,0,0,0|2,0,0]=4 9842 B15R0.111 CCOC(=O)CCCCSCCCC(C)O 62a_100000750268_200000718107 [0,2,0,0,0,0|2,0,0]=4 9843 B15R0.111 CCOC(=O)CCCCSCCCC(C)O 62a_200000718107_100000750268 [0,2,0,0,0,0|2,0,0]=4 9844 B15R0.111 CCOC(=O)CCCOCCCCC(C)C 34a_100011214890_100009991533 [0,2,0,0,0,0|2,0,0]=4 9845 B15R0.111 CCOC(=O)CCCOCCCCC(C)C 7a_100011214890_100011215271 [0,2,0,0,0,0|2,0,0]=4 9846 B15R0.111 CCOC(=O)CCCOCCCCC(C)C 7a_100012001163_100011216152 [0,2,0,0,0,0|2,0,0]=4 9847 B15R0.111 CCOC(=O)CCCSCCCCC(C)C 62a_100009991533_100011216152 [0,2,0,0,0,0|2,0,0]=4 9848 B15R0.111 CCOC(=O)CCCSCCCCC(C)C 62a_100011216152_100009991533 [0,2,0,0,0,0|2,0,0]=4 9849 B15R0.111 CCOC(=O)CCNCCCCCC(C)C 2230a_100011290863_100011206558 [0,2,0,0,0,0|2,0,0]=4 9850 B15R0.111 CCOC(=O)CCNCCCCCC(C)C 34a_100011290863_100000765890 [0,2,0,0,0,0|2,0,0]=4 9851 B15R0.111 CCOC(=O)CCOCCCCCC(C)C 34a_100011995859_100000765890 [0,2,0,0,0,0|2,0,0]=4 9852 B15R0.111 CCOC(=O)CCOCCCCCC(C)C 7a_100011995859_100011206558 [0,2,0,0,0,0|2,0,0]=4 9853 B15R0.111 CCOC(=O)CCSCCCCCC(C)C 62a_100000210682_100000765890 [0,2,0,0,0,0|2,0,0]=4 9854 B15R0.111 CCOC(=O)CCSCCCCCC(C)C 62a_100000765890_100000210682 [0,2,0,0,0,0|2,0,0]=4 9855 B15R0.111 CCOC(=O)CNCCCCCCC(C)C 2230a_100000211014_100000188475 [0,2,0,0,0,0|2,0,0]=4 9856 B15R0.111 CCOC(=O)CNCCCCCCC(C)C 34a_100000211014_100000188475 [0,2,0,0,0,0|2,0,0]=4 9857 B15R0.111 CCOC(=O)COCCCCCNC(C)C 34a_100011629493_100000188475 [0,2,0,0,0,0|2,0,0]=4 9858 B15R0.111 CCOC(=O)COCCCNCCC(C)O 2230a_200000755665_100009893628 [0,2,0,0,0,0|2,0,0]=4 9859 B15R0.111 CCOC(=O)COCCCOCCC(C)Br 34a_100009893172_100009893628 [0,2,0,0,0,0|2,0,0]=4 9860 B15R0.111 CCOC(=O)COCCCOCCC(C)C 34a_100000210254_100009893628 [0,2,0,0,0,0|2,0,0]=4 9861 B15R0.111 CCOC(=O)COCCCOCCC(C)C 7a_100000210254_100009893628 [0,2,0,0,0,0|2,0,0]=4 9862 B15R0.111 CCOC(=O)COCCCOCC[C@@H](C)N 34a_100000706166_100009893628 [0,2,0,0,0,0|2,0,0]=4 9863 B15R0.111 CCOC(=O)COCCCSCCC(C)C 62a_100000210312_100009893628 [0,2,0,0,0,0|2,0,0]=4 9864 B15R0.111 CCOC(=O)COCCCSCCC(C)C 62a_100009893628_100000210312 [0,2,0,0,0,0|2,0,0]=4 9865 B15R0.111 CCOC(=O)COCCCSCCC(C)O 62a_100009893628_100012276601 [0,2,0,0,0,0|2,0,0]=4 9866 B15R0.111 CCOC(=O)COCCCSCCC(C)O 62a_100012276601_100009893628 [0,2,0,0,0,0|2,0,0]=4 9867 B15R0.111 CCOC(=O)COCCNCCCC(C)C 2230a_200000737386_100000088970 [0,2,0,0,0,0|2,0,0]=4 9868 B15R0.111 CCOC(=O)COCCNCCCC(C)C 34a_200000737386_100000088970 [0,2,0,0,0,0|2,0,0]=4 9869 B15R0.111 CCOC(=O)COCCOCCCC(C)C 34a_100000210774_100000088970 [0,2,0,0,0,0|2,0,0]=4 9870 B15R0.111 CCOC(=O)COCCOCCCC(C)C 7a_100000210774_100000088970 [0,2,0,0,0,0|2,0,0]=4 9871 B15R0.111 CCOC(=O)COCCSCCCC(C)C 62a_100000088970_100011214892 [0,2,0,0,0,0|2,0,0]=4 9872 B15R0.111 CCOC(=O)COCCSCCCC(C)C 62a_100011214892_100000088970 [0,2,0,0,0,0|2,0,0]=4 9873 B15R0.111 CCOC(=O)COCCSCCCC(C)O 62a_100000088970_200000718107 [0,2,0,0,0,0|2,0,0]=4 9874 B15R0.111 CCOC(=O)COCCSCCCC(C)O 62a_200000718107_100000088970 [0,2,0,0,0,0|2,0,0]=4 9875 B15R0.111 CCOC(=O)NCCOCCCCC(C)C 34a_100000158857_100011216152 [0,2,0,0,0,0|2,0,0]=4 9876 B15R0.111 CCOC(=O)NCCOCCCCC(C)C 7a_100011214890_200011445536 [0,2,0,0,0,0|2,0,0]=4 9877 B15R0.111 CCOC(=O)NCCSCCCCC(C)C 62a_100011216152_200011445536 [0,2,0,0,0,0|2,0,0]=4 9878 B15R0.111 CCOC(=O)OCSCCCCCC(C)C 62a_100000210682_100000075025 [0,2,0,0,0,0|1,0,0]=3 9879 B15R0.366 C#CCCCCCCCCOC(C)CCC 34a_100000065265_100000766640 [0,2,0,0,0,0|1,0,1]=4 9880 B15R0.366 C#CCCCCCCCCOC(C)CCC 7a_100000065265_100000766640 [0,2,0,0,0,0|1,0,1]=4 9881 B15R0.366 C#CCCCCCCCOCC(=O)CCC 7a_100000054614_100000747444 [0,2,0,0,0,0|0,0,1]=3 9882 B15R0.366 C#CCCCCCCCOCC(=O)NCC 34a_100000054614_100000183381 [0,2,0,0,0,0|1,0,1]=4 9883 B15R0.366 C#CCCCCCCCOCC(=O)NCC 7a_100000054614_100000183381 [0,2,0,0,0,0|1,0,1]=4 9884 B15R0.366 C#CCCCCCCCOCC(=O)OCC 34a_100000054614_100000188475 [0,2,0,0,0,0|1,0,1]=4 9885 B15R0.366 C#CCCCCCCCOCC(=O)OCC 7a_100000054614_100000188475 [0,2,0,0,0,0|1,0,1]=4 9886 B15R0.366 C#CCCCCCCCSCC(=O)CCC 62a_100000747444_100153394163 [0,2,0,0,0,0|0,1,1]=4 9887 B15R0.366 C#CCCCCCCCSCC(=O)CCC 62a_100153394163_100000747444 [0,2,0,0,0,0|0,1,1]=4 9888 B15R0.366 C#CCCCCCCOCOC(=O)CCC 34a_100011217361_100000034017 [0,2,0,0,0,0|0,0,1]=3 9889 B15R0.366 C#CCCCCCCSCOC(=O)CCC 62a_100012276617_100000034017 [0,2,0,0,0,0|0,0,1]=3 9890 B15R0.366 C#CCCCCCCSCOC(=O)OCC 62a_100012276617_100000075025 [0,2,0,0,0,0|1,0,1]=4 9891 B15R0.366 C=CCCCCCCCCCC(=O)CCC 1458a_100000211992_100009814027 [0,2,0,0,0,0|1,0,0]=3 9892 B15R0.366 C=CCCCCCCCCCC(=O)CCO 1458a_100011216618_100009814027 [0,2,0,0,0,0|2,0,0]=4 9893 B15R0.366 C=CCCCCCCCCCC(=O)COC 1458a_100000210968_100009814027 [0,2,0,0,0,0|2,0,0]=4 9894 B15R0.366 C=CCCCCCCCCCC(=O)CSC 1458a_100000184570_100009814027 [0,2,0,0,0,0|2,0,0]=4 9895 B15R0.366 C=CCCCCCCCCOC(C)CCC 34a_100000764384_100011933949 [0,2,0,0,0,0|1,0,1]=4 9896 B15R0.366 C=CCCCCCCCCOC(C)CCC 34a_100011215194_100000766640 [0,2,0,0,0,0|1,0,1]=4 9897 B15R0.366 C=CCCCCCCCCOC(C)CCC 7a_100000764384_100011933949 [0,2,0,0,0,0|1,0,1]=4 9898 B15R0.366 C=CCCCCCCCCOC(C)CCC 7a_100011215194_100000766640 [0,2,0,0,0,0|1,0,1]=4 9899 B15R0.366 C=CCCCCCCCOCC(=O)CCC 7a_100000730831_100000747444 [0,2,0,0,0,0|0,0,1]=3 9900 B15R0.366 C=CCCCCCCCOCC(=O)NCC 34a_100000730831_100000183381 [0,2,0,0,0,0|1,0,1]=4 9901 B15R0.366 C=CCCCCCCCOCC(=O)NCC 7a_100000730831_100000183381 [0,2,0,0,0,0|1,0,1]=4 9902 B15R0.366 C=CCCCCCCCOCC(=O)OCC 34a_100000730831_100000188475 [0,2,0,0,0,0|1,0,1]=4 9903 B15R0.366 C=CCCCCCCCOCC(=O)OCC 7a_100000730831_100000188475 [0,2,0,0,0,0|1,0,1]=4 9904 B15R0.366 C=CCCCCCCCSCC(=O)CCC 62a_100000747444_100012355270 [0,2,0,0,0,0|0,1,1]=4 9905 B15R0.366 C=CCCCCCCCSCC(=O)CCC 62a_100012355270_100000747444 [0,2,0,0,0,0|0,1,1]=4 9906 B15R0.366 C=CCCCCCCOCOC(=O)CCC 34a_200011216477_100000034017 [0,2,0,0,0,0|0,0,1]=3 9907 B15R0.366 C=CCCCCCCSCOC(=O)CCC 62a_100011215473_100000034017 [0,2,0,0,0,0|0,0,1]=3 9908 B15R0.366 C=CCCCCCCSCOC(=O)OCC 62a_100011215473_100000075025 [0,2,0,0,0,0|1,0,1]=4 9909 B15R0.366 CC/C=C\CCCCCOCC(=O)CCC 7a_100016268722_100000747444 [0,2,0,0,0,0|0,0,1]=3 9910 B15R0.366 CC/C=C\CCCCCOCC(=O)NCC 34a_100016268722_100000183381 [0,2,0,0,0,0|1,0,1]=4 9911 B15R0.366 CC/C=C\CCCCCOCC(=O)NCC 7a_100016268722_100000183381 [0,2,0,0,0,0|1,0,1]=4 9912 B15R0.366 CC/C=C\CCCCCOCC(=O)OCC 34a_100016268722_100000188475 [0,2,0,0,0,0|1,0,1]=4 9913 B15R0.366 CC/C=C\CCCCCOCC(=O)OCC 7a_100016268722_100000188475 [0,2,0,0,0,0|1,0,1]=4 9914 B15R0.366 CC/C=C\CCCCOCOC(=O)CCC 34a_100016287862_100000034017 [0,2,0,0,0,0|0,0,1]=3 9915 B15R0.366 CCC#CCCCCCCOC(C)CCC 34a_100000764384_200000036426 [0,2,0,0,0,0|1,0,1]=4 9916 B15R0.366 CCC#CCCCCCCOC(C)CCC 7a_100000764384_200000036426 [0,2,0,0,0,0|1,0,1]=4 9917 B15R0.366 CCCC(=O)CCCCCCCCCCO 1458a_100000211992_100009813290 [0,2,0,0,0,0|1,0,0]=3 9918 B15R0.366 CCCC(=O)CNCCCCCCCCO 2230a_102515433106_100000747444 [0,2,0,0,0,0|1,0,0]=3 9919 B15R0.366 CCCC(=O)COCCCCCCCCBr 7a_100009813846_100000747444 [0,2,0,0,0,0|0,0,0]=2 9920 B15R0.366 CCCC(=O)COCCCCCCCCCl 7a_100000033203_100000747444 [0,2,0,0,0,0|0,0,0]=2 9921 B15R0.366 CCCC(=O)COCCCOCCCOC 7a_200011215475_100000747444 [0,2,0,0,0,0|1,0,0]=3 9922 B15R0.366 CCCC(=O)COCCOCCOCCBr 7a_100010132937_100000747444 [0,2,0,0,0,0|2,0,0]=4 9923 B15R0.366 CCCC(=O)COCCOCCOCCCl 7a_100000032323_100000747444 [0,2,0,0,0,0|2,0,0]=4 9924 B15R0.366 CCCC(=O)COCCOCCOCCO 1458a_100010423381_100000210303 [0,2,0,0,0,0|2,0,0]=4 9925 B15R0.366 CCCC(=O)CSCCCCCCCCO 62a_100000033203_100000747444 [0,2,0,0,0,0|0,1,0]=3 9926 B15R0.366 CCCC(=O)CSCCCCCCCCO 62a_100000747444_100000033203 [0,2,0,0,0,0|0,1,0]=3 9927 B15R0.366 CCCC(=O)NCCCCCCCCCO 240690a_100000078944_100000211992 [0,2,0,0,0,0|1,0,0]=3 9928 B15R0.366 CCCC(=O)NCCCOCCOCCO 240690a_100011996194_100000211992 [0,2,0,0,0,0|2,0,0]=4 9929 B15R0.366 CCCC(=O)NCCOCCOCCOC 1626a_100012028300_100000211992 [0,2,0,0,0,0|2,0,0]=4 9930 B15R0.366 CCCC(=O)NCCOCCOCCOC 240690a_100012028300_100000211992 [0,2,0,0,0,0|2,0,0]=4 9931 B15R0.366 CCCC(=O)OCNCCCCCCCO 2230a_100011996573_100000034017 [0,2,0,0,0,0|0,0,0]=2 9932 B15R0.366 CCCC(=O)OCNCCCCCCCO 34a_100011996573_100000034017 [0,2,0,0,0,0|0,0,0]=2 9933 B15R0.366 CCCC(=O)OCNCCCOCCCO 2230a_100011310245_100000034017 [0,2,0,0,0,0|1,0,0]=3 9934 B15R0.366 CCCC(=O)OCNCCCOCCCO 34a_100011310245_100000034017 [0,2,0,0,0,0|1,0,0]=3 9935 B15R0.366 CCCC(=O)OCNCCCOCCOC 2230a_100000206027_100000034017 [0,2,0,0,0,0|1,0,0]=3 9936 B15R0.366 CCCC(=O)OCNCCCOCCOC 34a_100000206027_100000034017 [0,2,0,0,0,0|1,0,0]=3 9937 B15R0.366 CCCC(=O)OCNCCOCCOCC 2230a_100102712874_100000034017 [0,2,0,0,0,0|1,0,0]=3 9938 B15R0.366 CCCC(=O)OCNCCOCCOCC 34a_100102712874_100000034017 [0,2,0,0,0,0|1,0,0]=3 9939 B15R0.366 CCCC(=O)OCOCCCCCCCBr 34a_100000760002_100000034017 [0,2,0,0,0,0|0,0,0]=2 9940 B15R0.366 CCCC(=O)OCOCCCCCCCN 34a_100011996573_100000034017 [0,2,0,0,0,0|0,0,0]=2 9941 B15R0.366 CCCC(=O)OCOCCCCCCOC 34a_200012092642_100000034017 [0,2,0,0,0,0|0,0,0]=2 9942 B15R0.366 CCCC(=O)OCOCCCOCCCN 34a_100011310245_100000034017 [0,2,0,0,0,0|1,0,0]=3 9943 B15R0.366 CCCC(=O)OCOCCOCCOCC 34a_100000210240_100000034017 [0,2,0,0,0,0|1,0,0]=3 9944 B15R0.366 CCCC(=O)OCSCCCCCCC#N 62a_100009813337_100000034017 [0,2,0,0,0,0|0,0,1]=3 9945 B15R0.366 CCCC(=O)OCSCCCCCCCO 62a_100000760002_100000034017 [0,2,0,0,0,0|0,0,0]=2 9946 B15R0.366 CCCC(=O)OCSCCCCCCOC 62a_100011998445_100000034017 [0,2,0,0,0,0|0,0,0]=2 9947 B15R0.366 CCCC(=O)OCSCCCOCCOC 62a_100011216529_100000034017 [0,2,0,0,0,0|1,0,0]=3 9948 B15R0.366 CCCC(=O)OCSCCOCCOCC 62a_100011211534_100000034017 [0,2,0,0,0,0|1,0,0]=3 9949 B15R0.366 CCCC(C)COCCCCCCCCBr 34a_100009813846_100011216630 [0,2,0,0,0,0|1,0,1]=4 9950 B15R0.366 CCCC(C)COCCCCCCCCBr 7a_100009813846_100011216630 [0,2,0,0,0,0|1,0,1]=4 9951 B15R0.366 CCCC(C)COCCCCCCCCCl 34a_100000033203_100011216630 [0,2,0,0,0,0|1,0,1]=4 9952 B15R0.366 CCCC(C)COCCCCCCCCCl 7a_100000033203_100011216630 [0,2,0,0,0,0|1,0,1]=4 9953 B15R0.366 CCCC(C)COCCCCCCCCN 34a_102515433106_100011216630 [0,2,0,0,0,0|1,0,1]=4 9954 B15R0.366 CCCC(C)COCCCCCCCCO 34a_100000688023_100000033203 [0,2,0,0,0,0|1,0,1]=4 9955 B15R0.366 CCCC(C)COCCCCCCCCO 7a_100000688023_100000033203 [0,2,0,0,0,0|1,0,1]=4 9956 B15R0.366 CCCC(C)OCCCCCCCCCBr 34a_100009813782_100000766640 [0,2,0,0,0,0|1,0,1]=4 9957 B15R0.366 CCCC(C)OCCCCCCCCCBr 7a_100009813782_100000766640 [0,2,0,0,0,0|1,0,1]=4 9958 B15R0.366 CCCC(C)OCCCCCCCCCCl 34a_100009868337_100000766640 [0,2,0,0,0,0|1,0,1]=4 9959 B15R0.366 CCCC(C)OCCCCCCCCCCl 7a_100009868337_100000766640 [0,2,0,0,0,0|1,0,1]=4 9960 B15R0.366 CCCC(C)OCCCCCCCCCN 34a_100000078944_100000766640 [0,2,0,0,0,0|1,0,1]=4 9961 B15R0.366 CCCC(C)OCCCCCCCCCO 34a_100000764384_100009813782 [0,2,0,0,0,0|1,0,1]=4 9962 B15R0.366 CCCC(C)OCCCCCCCCCO 7a_100000764384_100009813782 [0,2,0,0,0,0|1,0,1]=4 9963 B15R0.366 CCCC/C=C/CCCCOC(C)CCC 34a_200020645093_100000766640 [0,2,0,0,0,0|1,0,1]=4 9964 B15R0.366 CCCC/C=C/CCCCOC(C)CCC 7a_200020645093_100000766640 [0,2,0,0,0,0|1,0,1]=4 9965 B15R0.366 CCCC/C=C\CCOCOC(=O)CCC 34a_200016286491_100000034017 [0,2,0,0,0,0|0,0,1]=3 9966 B15R0.366 CCCCC#CCCCCOC(C)CCC 34a_200000066234_100000766640 [0,2,0,0,0,0|1,0,1]=4 9967 B15R0.366 CCCCC#CCCCCOC(C)CCC 7a_200000066234_100000766640 [0,2,0,0,0,0|1,0,1]=4 9968 B15R0.366 CCCCC#CCCCSCC(=O)CCC 62a_100000747444_200000047210 [0,2,0,0,0,0|0,1,1]=4 9969 B15R0.366 CCCCC#CCCCSCC(=O)CCC 62a_200000047210_100000747444 [0,2,0,0,0,0|0,1,1]=4 9970 B15R0.366 CCCCC#CCCOCOC(=O)CCC 34a_100000037610_100000034017 [0,2,0,0,0,0|0,0,1]=3 9971 B15R0.366 CCCCC/C=C/COCOC(=O)CCC 34a_100016258190_100000034017 [0,2,0,0,0,0|0,0,1]=3 9972 B15R0.366 CCCCC/C=C\CCCOC(C)CCC 34a_100020655193_100000766640 [0,2,0,0,0,0|1,0,1]=4 9973 B15R0.366 CCCCC/C=C\CCCOC(C)CCC 7a_100020655193_100000766640 [0,2,0,0,0,0|1,0,1]=4 9974 B15R0.366 CCCCC/C=C\CCOCC(=O)CCC 7a_100016277358_100000747444 [0,2,0,0,0,0|0,0,1]=3 9975 B15R0.366 CCCCC/C=C\CCOCC(=O)NCC 34a_100016277358_100000183381 [0,2,0,0,0,0|1,0,1]=4 9976 B15R0.366 CCCCC/C=C\CCOCC(=O)NCC 7a_100016277358_100000183381 [0,2,0,0,0,0|1,0,1]=4 9977 B15R0.366 CCCCC/C=C\CCOCC(=O)OCC 34a_100016277358_100000188475 [0,2,0,0,0,0|1,0,1]=4 9978 B15R0.366 CCCCC/C=C\CCOCC(=O)OCC 7a_100016277358_100000188475 [0,2,0,0,0,0|1,0,1]=4 9979 B15R0.366 CCCCCC#CCCOCC(=O)CCC 7a_200000042877_100000747444 [0,2,0,0,0,0|0,0,1]=3 9980 B15R0.366 CCCCCC#CCCOCC(=O)NCC 34a_200000042877_100000183381 [0,2,0,0,0,0|1,0,1]=4 9981 B15R0.366 CCCCCC#CCCOCC(=O)NCC 7a_200000042877_100000183381 [0,2,0,0,0,0|1,0,1]=4 9982 B15R0.366 CCCCCC#CCCOCC(=O)OCC 34a_200000042877_100000188475 [0,2,0,0,0,0|1,0,1]=4 9983 B15R0.366 CCCCCC#CCCOCC(=O)OCC 7a_200000042877_100000188475 [0,2,0,0,0,0|1,0,1]=4 9984 B15R0.366 CCCCCC#CCOCOC(=O)CCC 34a_200000033628_100000034017 [0,2,0,0,0,0|0,0,1]=3 9985 B15R0.366 CCCCCC#CCSCOC(=O)CCC 62a_100009816472_100000034017 [0,2,0,0,0,0|0,0,1]=3 9986 B15R0.366 CCCCCC#CCSCOC(=O)OCC 62a_100009816472_100000075025 [0,2,0,0,0,0|1,0,1]=4 9987 B15R0.366 CCCCCC/C=C/COCC(=O)CCC 7a_200016276170_100000747444 [0,2,0,0,0,0|0,0,1]=3 9988 B15R0.366 CCCCCC/C=C/COCC(=O)NCC 34a_200016276170_100000183381 [0,2,0,0,0,0|1,0,1]=4 9989 B15R0.366 CCCCCC/C=C/COCC(=O)NCC 7a_200016276170_100000183381 [0,2,0,0,0,0|1,0,1]=4 9990 B15R0.366 CCCCCC/C=C/COCC(=O)OCC 34a_200016276170_100000188475 [0,2,0,0,0,0|1,0,1]=4 9991 B15R0.366 CCCCCC/C=C/COCC(=O)OCC 7a_200016276170_100000188475 [0,2,0,0,0,0|1,0,1]=4 9992 B15R0.366 CCCCCCC#CCCOC(C)CCC 34a_200000033163_100000766640 [0,2,0,0,0,0|1,0,1]=4 9993 B15R0.366 CCCCCCC#CCCOC(C)CCC 7a_200000033163_100000766640 [0,2,0,0,0,0|1,0,1]=4 9994 B15R0.366 CCCCCCC#CCOCC(=O)CCC 7a_200000037284_100000747444 [0,2,0,0,0,0|0,0,1]=3 9995 B15R0.366 CCCCCCC#CCOCC(=O)NCC 34a_200000037284_100000183381 [0,2,0,0,0,0|1,0,1]=4 9996 B15R0.366 CCCCCCC#CCOCC(=O)NCC 7a_200000037284_100000183381 [0,2,0,0,0,0|1,0,1]=4 9997 B15R0.366 CCCCCCC#CCOCC(=O)OCC 34a_200000037284_100000188475 [0,2,0,0,0,0|1,0,1]=4 9998 B15R0.366 CCCCCCC#CCOCC(=O)OCC 7a_200000037284_100000188475 [0,2,0,0,0,0|1,0,1]=4 9999 B15R0.366 CCCCCCCC#CCOC(C)CCC 34a_200000061759_100000766640 [0,2,0,0,0,0|1,0,1]=4 10000 B15R0.366 CCCCCCCC#CCOC(C)CCC 7a_200000061759_100000766640 [0,2,0,0,0,0|1,0,1]=4 10001 B15R0.366 CCCCCCCCC=NNC(=O)CCC 4a_100000189770_100011218696 [0,2,0,0,0,0|1,0,0]=3 10002 B15R0.366 CCCCCCCCC=NNC(=O)COC 4a_100000216845_100011218696 [0,2,0,0,0,0|2,0,0]=4 10003 B15R0.366 CCCCCCCCCC=CC(=O)CCC 1458a_200015352897_100000210303 [0,2,0,0,0,0|1,0,0]=3 10004 B15R0.366 CCCCCCCCCC=CC(=O)CCF 1458a_200015352897_100011217306 [0,2,0,0,0,0|2,0,0]=4 10005 B15R0.366 CCCCCCCCCC=CC(=O)CCO 1458a_200015352897_100000211926 [0,2,0,0,0,0|2,0,0]=4 10006 B15R0.366 CCCCCCCCCC=CC(=O)NCC 11a_100015525214_200015352897 [0,2,0,0,0,0|2,0,0]=4 10007 B15R0.366 CCCCCCCCCC=CC(=O)NCC 240690a_100015525214_200015352897 [0,2,0,0,0,0|2,0,0]=4 10008 B15R0.366 CCCCCCCCCCCC(=O)CCC 1458a_100000210736_100000210303 [0,2,0,0,0,0|1,0,0]=3 10009 B15R0.366 CCCCCCCCCCCC(=O)CCC 1458a_100000211992_100011215454 [0,2,0,0,0,0|1,0,0]=3 10010 B15R0.366 CCCCCCCCCCCC(=O)CCF 1458a_100000210736_100011217306 [0,2,0,0,0,0|2,0,0]=4 10011 B15R0.366 CCCCCCCCCCCC(=O)CCO 1458a_100000210736_100000211926 [0,2,0,0,0,0|2,0,0]=4 10012 B15R0.366 CCCCCCCCCCCC(=O)CCO 1458a_100011216618_100011215454 [0,2,0,0,0,0|2,0,0]=4 10013 B15R0.366 CCCCCCCCCCCC(=O)COC 1458a_100000210968_100011215454 [0,2,0,0,0,0|2,0,0]=4 10014 B15R0.366 CCCCCCCCCCCC(=O)CSC 1458a_100000184570_100011215454 [0,2,0,0,0,0|2,0,0]=4 10015 B15R0.366 CCCCCCCCCCCC(=O)NCC 11a_100015525214_100000210736 [0,2,0,0,0,0|2,0,0]=4 10016 B15R0.366 CCCCCCCCCCCC(=O)NCC 240690a_100015525214_100000210736 [0,2,0,0,0,0|2,0,0]=4 10017 B15R0.366 CCCCCCCCCCNC(=O)CCC 11a_100000684558_100000211992 [0,2,0,0,0,0|1,0,0]=3 10018 B15R0.366 CCCCCCCCCCNC(=O)CCC 1626a_100000684558_100000211992 [0,2,0,0,0,0|1,0,0]=3 10019 B15R0.366 CCCCCCCCCCNC(=O)CCC 240690a_100000684558_100000211992 [0,2,0,0,0,0|1,0,0]=3 10020 B15R0.366 CCCCCCCCCCNC(=O)CCC 527a_100000684558_100000211992 [0,2,0,0,0,0|1,0,0]=3 10021 B15R0.366 CCCCCCCCCCNC(=O)CCO 240690a_100000684558_100011216618 [0,2,0,0,0,0|2,0,0]=4 10022 B15R0.366 CCCCCCCCCCNC(=O)COC 11a_100000684558_100000210968 [0,2,0,0,0,0|2,0,0]=4 10023 B15R0.366 CCCCCCCCCCNC(=O)COC 1626a_100000684558_100000210968 [0,2,0,0,0,0|2,0,0]=4 10024 B15R0.366 CCCCCCCCCCNC(=O)COC 240690a_100000684558_100000210968 [0,2,0,0,0,0|2,0,0]=4 10025 B15R0.366 CCCCCCCCCCNC(=O)COC 527a_100000684558_100000210968 [0,2,0,0,0,0|2,0,0]=4 10026 B15R0.366 CCCCCCCCCCNC(=O)CSC 11a_100000684558_100000184570 [0,2,0,0,0,0|2,0,0]=4 10027 B15R0.366 CCCCCCCCCCNC(=O)CSC 1626a_100000684558_100000184570 [0,2,0,0,0,0|2,0,0]=4 10028 B15R0.366 CCCCCCCCCCNC(=O)CSC 240690a_100000684558_100000184570 [0,2,0,0,0,0|2,0,0]=4 10029 B15R0.366 CCCCCCCCCCNC(=O)CSC 527a_100000684558_100000184570 [0,2,0,0,0,0|2,0,0]=4 10030 B15R0.366 CCCCCCCCCCNC(=O)NCC 2708a_100000684558_100015525214 [0,2,0,0,0,0|2,0,0]=4 10031 B15R0.366 CCCCCCCCCCNC(=O)NCC 2708a_100015525214_100000684558 [0,2,0,0,0,0|2,0,0]=4 10032 B15R0.366 CCCCCCCCCCNC(=O)NCC 273464a_100000684558_100015525214 [0,2,0,0,0,0|2,0,0]=4 10033 B15R0.366 CCCCCCCCCCNC(=O)NCC 273464a_100015525214_100000684558 [0,2,0,0,0,0|2,0,0]=4 10034 B15R0.366 CCCCCCCCCCNC(=O)NCC 512a_100000684558_100015525214 [0,2,0,0,0,0|2,0,0]=4 10035 B15R0.366 CCCCCCCCCCNC(=O)NCC 512a_100015525214_100000684558 [0,2,0,0,0,0|2,0,0]=4 10036 B15R0.366 CCCCCCCCCCOC(=O)CNC 2230a_106832991635_100000210668 [0,2,0,0,0,0|1,0,0]=3 10037 B15R0.366 CCCCCCCCCCOC(=O)CNC 34a_100102657272_100000210668 [0,2,0,0,0,0|1,0,0]=3 10038 B15R0.366 CCCCCCCCCCOC(=O)CNC 7a_106832991635_100000210668 [0,2,0,0,0,0|1,0,0]=3 10039 B15R0.366 CCCCCCCCCCOC(=O)COC 34a_100138415774_100000210668 [0,2,0,0,0,0|1,0,0]=3 10040 B15R0.366 CCCCCCCCCCOC(=O)CSC 62a_100000680656_200000210301 [0,2,0,0,0,0|1,0,0]=3 10041 B15R0.366 CCCCCCCCCCOC(=O)CSC 62a_200000210301_100000680656 [0,2,0,0,0,0|1,0,0]=3 10042 B15R0.366 CCCCCCCCCCOC(=O)CS[13CH3] 62a_100000680656_200025704644 [0,2,0,0,0,0|1,0,0]=3 10043 B15R0.366 CCCCCCCCCCOC(=O)CS[13CH3] 62a_200025704644_100000680656 [0,2,0,0,0,0|1,0,0]=3 10044 B15R0.366 CCCCCCCCCCOC(C)CCC 34a_100000210711_100000766640 [0,2,0,0,0,0|1,0,1]=4 10045 B15R0.366 CCCCCCCCCCOC(C)CCC 34a_100000764384_100000210320 [0,2,0,0,0,0|1,0,1]=4 10046 B15R0.366 CCCCCCCCCCOC(C)CCC 7a_100000210711_100000766640 [0,2,0,0,0,0|1,0,1]=4 10047 B15R0.366 CCCCCCCCCCOC(C)CCC 7a_100000764384_100000210320 [0,2,0,0,0,0|1,0,1]=4 10048 B15R0.366 CCCCCCCCCNCC(=O)CCC 2230a_100000212291_100000747444 [0,2,0,0,0,0|1,0,0]=3 10049 B15R0.366 CCCCCCCCCNCC(=O)NCC 2230a_100000212291_100000183381 [0,2,0,0,0,0|2,0,0]=4 10050 B15R0.366 CCCCCCCCCNCC(=O)NCC 2230a_100016988866_100011214924 [0,2,0,0,0,0|2,0,0]=4 10051 B15R0.366 CCCCCCCCCNCC(=O)NCC 34a_100000212291_100000183381 [0,2,0,0,0,0|2,0,0]=4 10052 B15R0.366 CCCCCCCCCNCC(=O)OCC 2230a_100000212291_100000188475 [0,2,0,0,0,0|2,0,0]=4 10053 B15R0.366 CCCCCCCCCNCC(=O)OCC 34a_100000212291_100000188475 [0,2,0,0,0,0|2,0,0]=4 10054 B15R0.366 CCCCCCCCCOCC(=O)CCC 7a_100000210712_100000747444 [0,2,0,0,0,0|0,0,0]=2 10055 B15R0.366 CCCCCCCCCOCC(=O)NCC 34a_100000210712_100000183381 [0,2,0,0,0,0|1,0,0]=3 10056 B15R0.366 CCCCCCCCCOCC(=O)NCC 7a_100000210712_100000183381 [0,2,0,0,0,0|1,0,0]=3 10057 B15R0.366 CCCCCCCCCOCC(=O)NCO 34a_100000210712_100000185155 [0,2,0,0,0,0|2,0,0]=4 10058 B15R0.366 CCCCCCCCCOCC(=O)NCO 7a_100000210712_100000185155 [0,2,0,0,0,0|2,0,0]=4 10059 B15R0.366 CCCCCCCCCOCC(=O)OCC 34a_100000210712_100000188475 [0,2,0,0,0,0|1,0,0]=3 10060 B15R0.366 CCCCCCCCCOCC(=O)OCC 7a_100000210712_100000188475 [0,2,0,0,0,0|1,0,0]=3 10061 B15R0.366 CCCCCCCCCOCC(C)CCC 34a_100000210712_100011216630 [0,2,0,0,0,0|1,0,1]=4 10062 B15R0.366 CCCCCCCCCOCC(C)CCC 34a_100000688023_100011214924 [0,2,0,0,0,0|1,0,1]=4 10063 B15R0.366 CCCCCCCCCOCC(C)CCC 7a_100000210712_100011216630 [0,2,0,0,0,0|1,0,1]=4 10064 B15R0.366 CCCCCCCCCOCC(C)CCC 7a_100000688023_100000210328 [0,2,0,0,0,0|1,0,1]=4 10065 B15R0.366 CCCCCCCCCOC[C@@H](N)CCC 34a_100000732646_100011214924 [0,2,0,0,0,0|1,0,1]=4 10066 B15R0.366 CCCCCCCCCSCC(=O)CCC 62a_100000747444_100000210670 [0,2,0,0,0,0|0,1,0]=3 10067 B15R0.366 CCCCCCCCCSCC(=O)NCC 62a_100000183381_100000210670 [0,2,0,0,0,0|1,1,0]=4 10068 B15R0.366 CCCCCCCCCSCC(=O)OCC 62a_100000188475_100000210670 [0,2,0,0,0,0|1,1,0]=4 10069 B15R0.366 CCCCCCCCNCCC(=O)NCC 2230a_100000229939_100000737597 [0,2,0,0,0,0|2,0,0]=4 10070 B15R0.366 CCCCCCCCNCCC(=O)NCC 34a_100025743525_100000210759 [0,2,0,0,0,0|2,0,0]=4 10071 B15R0.366 CCCCCCCCNCCC(=O)OCC 2230a_100000229939_100011206558 [0,2,0,0,0,0|2,0,0]=4 10072 B15R0.366 CCCCCCCCNCCC(=O)OCC 34a_100000229939_100000765890 [0,2,0,0,0,0|2,0,0]=4 10073 B15R0.366 CCCCCCCCNCOC(=O)CCC 2230a_100000229939_100000034017 [0,2,0,0,0,0|0,0,0]=2 10074 B15R0.366 CCCCCCCCNCOC(=O)CCC 34a_100000229939_100000034017 [0,2,0,0,0,0|0,0,0]=2 10075 B15R0.366 CCCCCCCCOCCC(=O)NCC 7a_100000210232_100000737597 [0,2,0,0,0,0|1,0,0]=3 10076 B15R0.366 CCCCCCCCOCCC(=O)OCC 34a_100000210232_100000765890 [0,2,0,0,0,0|1,0,0]=3 10077 B15R0.366 CCCCCCCCOCCC(=O)OCC 7a_100000210232_100011206558 [0,2,0,0,0,0|1,0,0]=3 10078 B15R0.366 CCCCCCCCOCCC(C)CCC 34a_100011217855_100000210759 [0,2,0,0,0,0|1,0,1]=4 10079 B15R0.366 CCCCCCCCOCCC(C)CCC 7a_100011217855_100000210759 [0,2,0,0,0,0|1,0,1]=4 10080 B15R0.366 CCCCCCCCOCC[C@@H](N)CCC 34a_100015193777_100000210759 [0,2,0,0,0,0|1,0,1]=4 10081 B15R0.366 CCCCCCCCOCOC(=O)CCC 34a_100000210232_100000034017 [0,2,0,0,0,0|0,0,0]=2 10082 B15R0.366 CCCCCCCCSCCC(=O)NCC 62a_100000210759_100000737597 [0,2,0,0,0,0|1,1,0]=4 10083 B15R0.366 CCCCCCCCSCCC(=O)NCC 62a_100000737597_100000210317 [0,2,0,0,0,0|1,1,0]=4 10084 B15R0.366 CCCCCCCCSCCC(=O)OCC 62a_100000210759_100000765890 [0,2,0,0,0,0|1,1,0]=4 10085 B15R0.366 CCCCCCCCSCCC(=O)OCC 62a_100000765890_100000210317 [0,2,0,0,0,0|1,1,0]=4 10086 B15R0.366 CCCCCCCCSCOC(=O)CCC 62a_100000210759_100000034017 [0,2,0,0,0,0|0,0,0]=2 10087 B15R0.366 CCCCCCCCSCOC(=O)OCC 62a_100000210759_100000075025 [0,2,0,0,0,0|1,0,0]=3 10088 B15R0.366 CCCCCCCNC/C=C/C(=O)OCC 2230a_100000229938_100016267167 [0,2,0,0,0,0|2,0,0]=4 10089 B15R0.366 CCCCCCCNCCCC(=O)OCC 2230a_100000229938_100009991533 [0,2,0,0,0,0|2,0,0]=4 10090 B15R0.366 CCCCCCCOC/C=C/C(=O)OCC 34a_100000210272_100016267167 [0,2,0,0,0,0|2,0,0]=4 10091 B15R0.366 CCCCCCCOC/C=C/C(=O)OCC 7a_100000210272_100016267167 [0,2,0,0,0,0|2,0,0]=4 10092 B15R0.366 CCCCCCCOCCCC(=O)OCC 34a_100000210272_100009991533 [0,2,0,0,0,0|2,0,0]=4 10093 B15R0.366 CCCCCCCOCCCC(=O)OCC 7a_100000210272_100011215271 [0,2,0,0,0,0|2,0,0]=4 10094 B15R0.366 CCCCCCCOCCCC(=O)OCC 7a_100012001163_100000210614 [0,2,0,0,0,0|2,0,0]=4 10095 B15R0.366 CCCCCCCOCCNC(=O)OCC 34a_100000158857_100000210614 [0,2,0,0,0,0|2,0,0]=4 10096 B15R0.366 CCCCCCCOCCNC(=O)OCC 7a_100000210272_200011445536 [0,2,0,0,0,0|2,0,0]=4 10097 B15R0.366 CCCCCCCSC/C=C/C(=O)OCC 62a_100000210614_100016267167 [0,2,0,0,0,0|2,0,0]=4 10098 B15R0.366 CCCCCCCSC/C=C/C(=O)OCC 62a_100016267167_100000210316 [0,2,0,0,0,0|2,0,0]=4 10099 B15R0.366 CCCCCCCSCCCC(=O)OCC 62a_100000210614_100009991533 [0,2,0,0,0,0|2,0,0]=4 10100 B15R0.366 CCCCCCCSCCCC(=O)OCC 62a_100009991533_100000210316 [0,2,0,0,0,0|2,0,0]=4 10101 B15R0.366 CCCCCCCSCCNC(=O)OCC 62a_100000210614_200011445536 [0,2,0,0,0,0|2,0,0]=4 10102 B15R0.366 CCCCCCNCCCCC(=O)OCC 2230a_100000210581_100000750268 [0,2,0,0,0,0|2,0,0]=4 10103 B15R0.366 CCCCCCNCCOCC(=O)OCC 2230a_100000210581_100000088970 [0,2,0,0,0,0|1,0,0]=3 10104 B15R0.366 CCCCCCOCCCCC(=O)OCC 34a_100000210259_100000750268 [0,2,0,0,0,0|2,0,0]=4 10105 B15R0.366 CCCCCCOCCCCC(=O)OCC 7a_100000210259_100000750268 [0,2,0,0,0,0|2,0,0]=4 10106 B15R0.366 CCCCCCOCCOCC(=O)CCC 7a_100000691444_100000747444 [0,2,0,0,0,0|0,0,0]=2 10107 B15R0.366 CCCCCCOCCOCC(=O)NCC 34a_100000691444_100000183381 [0,2,0,0,0,0|1,0,0]=3 10108 B15R0.366 CCCCCCOCCOCC(=O)NCC 7a_100000691444_100000183381 [0,2,0,0,0,0|1,0,0]=3 10109 B15R0.366 CCCCCCOCCOCC(=O)NCO 34a_100000691444_100000185155 [0,2,0,0,0,0|2,0,0]=4 10110 B15R0.366 CCCCCCOCCOCC(=O)NCO 7a_100000691444_100000185155 [0,2,0,0,0,0|2,0,0]=4 10111 B15R0.366 CCCCCCOCCOCC(=O)OCC 34a_100000210259_100000088970 [0,2,0,0,0,0|1,0,0]=3 10112 B15R0.366 CCCCCCOCCOCC(=O)OCC 34a_100000691444_100000188475 [0,2,0,0,0,0|1,0,0]=3 10113 B15R0.366 CCCCCCOCCOCC(=O)OCC 7a_100000210259_100000088970 [0,2,0,0,0,0|1,0,0]=3 10114 B15R0.366 CCCCCCOCCOCC(=O)OCC 7a_100000691444_100000188475 [0,2,0,0,0,0|1,0,0]=3 10115 B15R0.366 CCCCCCOCCOCC(C)CCC 34a_100000691444_100011216630 [0,2,0,0,0,0|1,0,1]=4 10116 B15R0.366 CCCCCCOCCOCC(C)CCC 7a_100000691444_100011216630 [0,2,0,0,0,0|1,0,1]=4 10117 B15R0.366 CCCCCCOCCSCC(=O)OCC 7a_200000230590_100000210314 [0,2,0,0,0,0|1,1,0]=4 10118 B15R0.366 CCCCCCSCCCCC(=O)OCC 62a_100000210314_100000750268 [0,2,0,0,0,0|2,0,0]=4 10119 B15R0.366 CCCCCCSCCCCC(=O)OCC 62a_100000750268_100000210757 [0,2,0,0,0,0|2,0,0]=4 10120 B15R0.366 CCCCCCSCCOCC(=O)OCC 62a_100000088970_100000210757 [0,2,0,0,0,0|1,0,0]=3 10121 B15R0.366 CCCCCCSCCOCC(=O)OCC 62a_100000210314_100000088970 [0,2,0,0,0,0|1,0,0]=3 10122 B15R0.366 CCCCCNCCCCCC(=O)OCC 2230a_100000209983_100000755133 [0,2,0,0,0,0|2,0,0]=4 10123 B15R0.366 CCCCCNCCCOCC(=O)OCC 2230a_100000209983_100009893628 [0,2,0,0,0,0|1,0,0]=3 10124 B15R0.366 CCCCCNCCOCCC(=O)OCC 34a_100000224656_100000765890 [0,2,0,0,0,0|2,0,0]=4 10125 B15R0.366 CCCCCNCCOCOC(=O)CCC 34a_100000224656_100000034017 [0,2,0,0,0,0|0,0,0]=2 10126 B15R0.366 CCCCCOCCCCCC(=O)OCC 34a_100000210253_100000755133 [0,2,0,0,0,0|2,0,0]=4 10127 B15R0.366 CCCCCOCCCCCC(=O)OCC 7a_100000210253_100000755133 [0,2,0,0,0,0|2,0,0]=4 10128 B15R0.366 CCCCCOCCCCCC(=O)OCC 7a_100011214988_100000210326 [0,2,0,0,0,0|2,0,0]=4 10129 B15R0.366 CCCCCOCCCOCC(=O)OCC 34a_100000210253_100009893628 [0,2,0,0,0,0|1,0,0]=3 10130 B15R0.366 CCCCCOCCCOCC(=O)OCC 7a_100000210253_100009893628 [0,2,0,0,0,0|1,0,0]=3 10131 B15R0.366 CCCCCOCCOCCC(=O)NCC 7a_100011215259_100000737597 [0,2,0,0,0,0|2,0,0]=4 10132 B15R0.366 CCCCCOCCOCCC(=O)OCC 34a_100011215259_100000765890 [0,2,0,0,0,0|2,0,0]=4 10133 B15R0.366 CCCCCOCCOCCC(=O)OCC 7a_100011215259_100011206558 [0,2,0,0,0,0|2,0,0]=4 10134 B15R0.366 CCCCCOCCOCOC(=O)CCC 34a_100011215259_100000034017 [0,2,0,0,0,0|0,0,0]=2 10135 B15R0.366 CCCCCSCCCCCC(=O)OCC 62a_100000210326_100000755133 [0,2,0,0,0,0|2,0,0]=4 10136 B15R0.366 CCCCCSCCCCCC(=O)OCC 62a_100000755133_100000210326 [0,2,0,0,0,0|2,0,0]=4 10137 B15R0.366 CCCCCSCCCOCC(=O)OCC 62a_100000210326_100009893628 [0,2,0,0,0,0|1,0,0]=3 10138 B15R0.366 CCCCCSCCCOCC(=O)OCC 62a_100009893628_100000210326 [0,2,0,0,0,0|1,0,0]=3 10139 B15R0.366 CCCCNCCCCCCC(=O)OCC 2230a_100000102301_100009814379 [0,2,0,0,0,0|2,0,0]=4 10140 B15R0.366 CCCCNCCCCCCC(=O)OCC 7a_106832991798_100009814379 [0,2,0,0,0,0|2,0,0]=4 10141 B15R0.366 CCCCNCCCCOCC(=O)NCC 34a_200011216965_100000183381 [0,2,0,0,0,0|1,0,0]=3 10142 B15R0.366 CCCCNCCCCOCC(=O)NCO 34a_200011216965_100000185155 [0,2,0,0,0,0|2,0,0]=4 10143 B15R0.366 CCCCNCCCCOCC(=O)OCC 34a_200011216965_100000188475 [0,2,0,0,0,0|1,0,0]=3 10144 B15R0.366 CCCCNCCCCOCC(C)CCC 34a_200011216965_100011216630 [0,2,0,0,0,0|1,0,1]=4 10145 B15R0.366 CCCCOCCCCCCC(=O)OCC 34a_100000210227_100009814379 [0,2,0,0,0,0|2,0,0]=4 10146 B15R0.366 CCCCOCCCCCCC(=O)OCC 7a_100000210227_100009814379 [0,2,0,0,0,0|2,0,0]=4 10147 B15R0.366 CCCCOCCCCOCC(=O)CCC 7a_200000760531_100000747444 [0,2,0,0,0,0|0,0,0]=2 10148 B15R0.366 CCCCOCCCCOCC(=O)NCC 34a_200000760531_100000183381 [0,2,0,0,0,0|1,0,0]=3 10149 B15R0.366 CCCCOCCCCOCC(=O)NCC 7a_200000760531_100000183381 [0,2,0,0,0,0|1,0,0]=3 10150 B15R0.366 CCCCOCCCCOCC(=O)NCO 34a_200000760531_100000185155 [0,2,0,0,0,0|2,0,0]=4 10151 B15R0.366 CCCCOCCCCOCC(=O)NCO 7a_200000760531_100000185155 [0,2,0,0,0,0|2,0,0]=4 10152 B15R0.366 CCCCOCCCCOCC(=O)OCC 34a_200000760531_100000188475 [0,2,0,0,0,0|1,0,0]=3 10153 B15R0.366 CCCCOCCCCOCC(=O)OCC 7a_200000760531_100000188475 [0,2,0,0,0,0|1,0,0]=3 10154 B15R0.366 CCCCOCCCCOCC(C)CCC 34a_200000760531_100011216630 [0,2,0,0,0,0|1,0,1]=4 10155 B15R0.366 CCCCOCCCCOCC(C)CCC 7a_200000760531_100011216630 [0,2,0,0,0,0|1,0,1]=4 10156 B15R0.366 CCCCOCCCNCCC(=O)NCC 2230a_200000211371_100000737597 [0,2,0,0,0,0|2,0,0]=4 10157 B15R0.366 CCCCOCCCNCCC(=O)OCC 2230a_200000211371_100011206558 [0,2,0,0,0,0|2,0,0]=4 10158 B15R0.366 CCCCOCCCNCCC(=O)OCC 34a_200000211371_100000765890 [0,2,0,0,0,0|2,0,0]=4 10159 B15R0.366 CCCCOCCCNCOC(=O)CCC 2230a_200000211371_100000034017 [0,2,0,0,0,0|0,0,0]=2 10160 B15R0.366 CCCCOCCCNCOC(=O)CCC 34a_200000211371_100000034017 [0,2,0,0,0,0|0,0,0]=2 10161 B15R0.366 CCCCOCCCOCCC(=O)NCC 7a_200011215613_100000737597 [0,2,0,0,0,0|2,0,0]=4 10162 B15R0.366 CCCCOCCCOCCC(=O)OCC 34a_200011215613_100000765890 [0,2,0,0,0,0|2,0,0]=4 10163 B15R0.366 CCCCOCCCOCCC(=O)OCC 7a_200011215613_100011206558 [0,2,0,0,0,0|2,0,0]=4 10164 B15R0.366 CCCCOCCCOCOC(=O)CCC 34a_200011215613_100000034017 [0,2,0,0,0,0|0,0,0]=2 10165 B15R0.366 CCCCOCCOCCCC(=O)OCC 34a_100000210238_100009991533 [0,2,0,0,0,0|2,0,0]=4 10166 B15R0.366 CCCCOCCOCCCC(=O)OCC 7a_100000210238_100011215271 [0,2,0,0,0,0|2,0,0]=4 10167 B15R0.366 CCCCOCCOCCCC(=O)OCC 7a_100012001163_100000743108 [0,2,0,0,0,0|2,0,0]=4 10168 B15R0.366 CCCCOCCOCCNC(=O)OCC 34a_100000158857_100000743108 [0,2,0,0,0,0|2,0,0]=4 10169 B15R0.366 CCCCOCCOCCNC(=O)OCC 7a_100000210238_200011445536 [0,2,0,0,0,0|2,0,0]=4 10170 B15R0.366 CCCCOCCOCCOC(C)CCC 34a_100011215186_100000766640 [0,2,0,0,0,0|1,0,1]=4 10171 B15R0.366 CCCCOCCOCCOC(C)CCC 7a_100011215186_100000766640 [0,2,0,0,0,0|1,0,1]=4 10172 B15R0.366 CCCCOCCSCCCC(=O)OCC 62a_100000743108_100009991533 [0,2,0,0,0,0|2,0,0]=4 10173 B15R0.366 CCCCOCCSCCCC(=O)OCC 62a_100009991533_100000743108 [0,2,0,0,0,0|2,0,0]=4 10174 B15R0.366 CCCCOCCSCCNC(=O)OCC 62a_100000743108_200011445536 [0,2,0,0,0,0|2,0,0]=4 10175 B15R0.366 CCCCOCSCCCCC(=O)OCC 62a_100000750268_100011995733 [0,2,0,0,0,0|2,0,0]=4 10176 B15R0.366 CCCCOCSCCCCC(=O)OCC 62a_100011995733_100000750268 [0,2,0,0,0,0|2,0,0]=4 10177 B15R0.366 CCCCOCSCCOCC(=O)OCC 62a_100000088970_100011995733 [0,2,0,0,0,0|2,0,0]=4 10178 B15R0.366 CCCCOCSCCOCC(=O)OCC 62a_100011995733_100000088970 [0,2,0,0,0,0|2,0,0]=4 10179 B15R0.366 CCCCSCCCCCCC(=O)OCC 62a_100000210211_100009814379 [0,2,0,0,0,0|2,0,0]=4 10180 B15R0.366 CCCCSCCNCCCC(=O)OCC 2230a_100025743550_100009991533 [0,2,0,0,0,0|2,0,0]=4 10181 B15R0.366 CCCCSCCOCCCC(=O)OCC 34a_200000230436_100009991533 [0,2,0,0,0,0|2,0,0]=4 10182 B15R0.366 CCCCSCCOCCCC(=O)OCC 7a_200000230436_100011215271 [0,2,0,0,0,0|2,0,0]=4 10183 B15R0.366 CCCCSCCOCCNC(=O)OCC 7a_200000230436_200011445536 [0,2,0,0,0,0|2,0,0]=4 10184 B15R0.366 CCCOCCCCCCCC(=O)OCC 34a_100000210258_100009991516 [0,2,0,0,0,0|2,0,0]=4 10185 B15R0.366 CCCOCCCNCCCC(=O)OCC 2230a_100011217757_100009991533 [0,2,0,0,0,0|2,0,0]=4 10186 B15R0.366 CCCOCCCNCCCC(=O)OCC 34a_100011217757_100009991533 [0,2,0,0,0,0|2,0,0]=4 10187 B15R0.366 CCCOCCNCCCCC(=O)OCC 2230a_100161115042_100000750268 [0,2,0,0,0,0|2,0,0]=4 10188 B15R0.366 CCCOCCNCCCCC(=O)OCC 34a_100161115042_100000750268 [0,2,0,0,0,0|2,0,0]=4 10189 B15R0.366 CCCOCCNCCOCC(=O)OCC 2230a_100161115042_100000088970 [0,2,0,0,0,0|2,0,0]=4 10190 B15R0.366 CCCOCCNCCOCC(=O)OCC 34a_100161115042_100000088970 [0,2,0,0,0,0|2,0,0]=4 10191 B15R0.366 CCCOCCOCCCCC(=O)OCC 34a_100000752267_100000750268 [0,2,0,0,0,0|2,0,0]=4 10192 B15R0.366 CCCOCCOCCCCC(=O)OCC 7a_100000752267_100000750268 [0,2,0,0,0,0|2,0,0]=4 10193 B15R0.366 CCCOCCOCCNCC(=O)CCC 2230a_200011904461_100000747444 [0,2,0,0,0,0|2,0,0]=4 10194 B15R0.366 CCCOCCOCCOCC(=O)OCC 34a_100000752267_100000088970 [0,2,0,0,0,0|2,0,0]=4 10195 B15R0.366 CCCOCCOCCOCC(=O)OCC 7a_100000752267_100000088970 [0,2,0,0,0,0|2,0,0]=4 10196 B15R0.366 CCCOCCSCCCCC(=O)OCC 62a_100000750268_100011215938 [0,2,0,0,0,0|2,0,0]=4 10197 B15R0.366 CCCOCCSCCCCC(=O)OCC 62a_100011215938_100000750268 [0,2,0,0,0,0|2,0,0]=4 10198 B15R0.366 CCCOCCSCCOCC(=O)OCC 62a_100000088970_100011215938 [0,2,0,0,0,0|2,0,0]=4 10199 B15R0.366 CCCOCCSCCOCC(=O)OCC 62a_100011215938_100000088970 [0,2,0,0,0,0|2,0,0]=4 10200 B15R0.366 CCCSCCCCCCCC(=O)OCC 62a_100000210303_100009991516 [0,2,0,0,0,0|2,0,0]=4 10201 B15R0.366 CCCSCCNCCCCC(=O)OCC 2230a_100020603323_100000750268 [0,2,0,0,0,0|2,0,0]=4 10202 B15R0.366 CCCSCCNCCOCC(=O)OCC 2230a_100020603323_100000088970 [0,2,0,0,0,0|2,0,0]=4 10203 B15R0.366 CCCSCCOCCCCC(=O)OCC 34a_200000230433_100000750268 [0,2,0,0,0,0|2,0,0]=4 10204 B15R0.366 CCCSCCOCCCCC(=O)OCC 7a_200000230433_100000750268 [0,2,0,0,0,0|2,0,0]=4 10205 B15R0.366 CCCSCCOCCOCC(=O)OCC 34a_200000230433_100000088970 [0,2,0,0,0,0|2,0,0]=4 10206 B15R0.366 CCCSCCOCCOCC(=O)OCC 7a_200000230433_100000088970 [0,2,0,0,0,0|2,0,0]=4 10207 B15R0.366 CCC[C@H](N)COCCCCCCCCO 34a_100000732646_100000033203 [0,2,0,0,0,0|1,0,1]=4 10208 B15R0.366 CCNC(=O)CCCCCCCCCCO 240690a_100015525214_200000016029 [0,2,0,0,0,0|2,0,0]=4 10209 B15R0.366 CCNC(=O)CCNCCCCCCCO 2230a_100011996573_100000737597 [0,2,0,0,0,0|2,0,0]=4 10210 B15R0.366 CCNC(=O)CCNCCCCCCCO 34a_100025743525_100000760002 [0,2,0,0,0,0|2,0,0]=4 10211 B15R0.366 CCNC(=O)CCNCCCCCCOC 34a_100025743525_100011998445 [0,2,0,0,0,0|2,0,0]=4 10212 B15R0.366 CCNC(=O)CCOCCCCCCCBr 7a_100000760002_100000737597 [0,2,0,0,0,0|2,0,0]=4 10213 B15R0.366 CCNC(=O)CCOCCCCCCOC 7a_200012092642_100000737597 [0,2,0,0,0,0|2,0,0]=4 10214 B15R0.366 CCNC(=O)CCSCCCCCCCO 62a_100000737597_100000760002 [0,2,0,0,0,0|2,0,0]=4 10215 B15R0.366 CCNC(=O)CCSCCCCCCCO 62a_100000760002_100000737597 [0,2,0,0,0,0|2,0,0]=4 10216 B15R0.366 CCNC(=O)CCSCCCCCCOC 62a_100000737597_100011998445 [0,2,0,0,0,0|2,0,0]=4 10217 B15R0.366 CCNC(=O)CCSCCCCCCOC 62a_100011998445_100000737597 [0,2,0,0,0,0|2,0,0]=4 10218 B15R0.366 CCNC(=O)CNCCCCCCCCO 2230a_100016988866_100000033203 [0,2,0,0,0,0|2,0,0]=4 10219 B15R0.366 CCNC(=O)CNCCCCCCCCO 2230a_102515433106_100000183381 [0,2,0,0,0,0|2,0,0]=4 10220 B15R0.366 CCNC(=O)CNCCCCCCCCO 34a_102515433106_100000183381 [0,2,0,0,0,0|2,0,0]=4 10221 B15R0.366 CCNC(=O)COCCCCCCCCBr 34a_100009813846_100000183381 [0,2,0,0,0,0|1,0,0]=3 10222 B15R0.366 CCNC(=O)COCCCCCCCCBr 7a_100009813846_100000183381 [0,2,0,0,0,0|1,0,0]=3 10223 B15R0.366 CCNC(=O)COCCCCCCCCCl 34a_100000033203_100000183381 [0,2,0,0,0,0|1,0,0]=3 10224 B15R0.366 CCNC(=O)COCCCCCCCCCl 7a_100000033203_100000183381 [0,2,0,0,0,0|1,0,0]=3 10225 B15R0.366 CCNC(=O)COCCCCCCCCN 34a_102515433106_100000183381 [0,2,0,0,0,0|1,0,0]=3 10226 B15R0.366 CCNC(=O)COCCCCCNCCN 34a_103619048469_100000183381 [0,2,0,0,0,0|2,0,0]=4 10227 B15R0.366 CCNC(=O)COCCCOCCCOC 34a_200011215475_100000183381 [0,2,0,0,0,0|2,0,0]=4 10228 B15R0.366 CCNC(=O)COCCCOCCCOC 7a_200011215475_100000183381 [0,2,0,0,0,0|2,0,0]=4 10229 B15R0.366 CCNC(=O)CSCCCCCCCCO 62a_100000033203_100000183381 [0,2,0,0,0,0|1,1,0]=4 10230 B15R0.366 CCNC(=O)CSCCCCCCCCO 62a_100000183381_100000033203 [0,2,0,0,0,0|1,1,0]=4 10231 B15R0.366 CCNC(=O)NCCCCCCCCCO 2708a_100000078944_100015525214 [0,2,0,0,0,0|2,0,0]=4 10232 B15R0.366 CCNC(=O)NCCCCCCCCCO 2708a_100015525214_100000078944 [0,2,0,0,0,0|2,0,0]=4 10233 B15R0.366 CCNC(=O)NCCCCCCCCCO 273464a_100000078944_100015525214 [0,2,0,0,0,0|2,0,0]=4 10234 B15R0.366 CCNC(=O)NCCCCCCCCCO 273464a_100015525214_100000078944 [0,2,0,0,0,0|2,0,0]=4 10235 B15R0.366 CCNC(=O)NCCCCCCCCCO 512a_100000078944_100015525214 [0,2,0,0,0,0|2,0,0]=4 10236 B15R0.366 CCNC(=O)NCCCCCCCCCO 512a_100015525214_100000078944 [0,2,0,0,0,0|2,0,0]=4 10237 B15R0.366 CCNCCCCCCCCC(=O)OCC 2230a_100015525214_100010175975 [0,2,0,0,0,0|2,0,0]=4 10238 B15R0.366 CCOC(=O)CCCCCCCCCNC 2230a_106832991635_100009828014 [0,2,0,0,0,0|2,0,0]=4 10239 B15R0.366 CCOC(=O)CCCCCCCCCNC 34a_100102657272_100009828014 [0,2,0,0,0,0|2,0,0]=4 10240 B15R0.366 CCOC(=O)CCCCCCCCCNC 7a_106832991635_100009828014 [0,2,0,0,0,0|2,0,0]=4 10241 B15R0.366 CCOC(=O)CCCCCCCCCOC 34a_100138415774_100009828014 [0,2,0,0,0,0|2,0,0]=4 10242 B15R0.366 CCOC(=O)CCCCCCCCCSC 62a_200000210301_100009828014 [0,2,0,0,0,0|2,0,0]=4 10243 B15R0.366 CCOC(=O)CCCCCCCCCS[13CH3] 62a_200025704644_100009828014 [0,2,0,0,0,0|2,0,0]=4 10244 B15R0.366 CCOC(=O)CCCCCCCCSCC 62a_100000210202_100010175975 [0,2,0,0,0,0|2,0,0]=4 10245 B15R0.366 CCOC(=O)CCCCCCCCSCF 62a_100015361967_100010175975 [0,2,0,0,0,0|2,0,0]=4 10246 B15R0.366 CCOC(=O)CCCCCCCNCCF 34a_100000724931_100009991516 [0,2,0,0,0,0|2,0,0]=4 10247 B15R0.366 CCOC(=O)CCCCCCCNCCO 2230a_100016997473_100009991516 [0,2,0,0,0,0|2,0,0]=4 10248 B15R0.366 CCOC(=O)CCCCCCCNCCO 34a_100016990907_100009991516 [0,2,0,0,0,0|2,0,0]=4 10249 B15R0.366 CCOC(=O)CCCCCCCOCCBr 34a_100000211926_100009991516 [0,2,0,0,0,0|2,0,0]=4 10250 B15R0.366 CCOC(=O)CCCCCCCOCCN 34a_100000210304_100009991516 [0,2,0,0,0,0|2,0,0]=4 10251 B15R0.366 CCOC(=O)CCCCCCCSCCF 62a_100011217306_100009991516 [0,2,0,0,0,0|2,0,0]=4 10252 B15R0.366 CCOC(=O)CCCCCCCSCCO 62a_100000211926_100009991516 [0,2,0,0,0,0|2,0,0]=4 10253 B15R0.366 CCOC(=O)CCCCCCCSCOC 62a_100000766300_100009991516 [0,2,0,0,0,0|2,0,0]=4 10254 B15R0.366 CCOC(=O)CCCCCCCSCSC 62a_100011218213_100009991516 [0,2,0,0,0,0|2,0,0]=4 10255 B15R0.366 CCOC(=O)CCCCCCNCCCF 2230a_100015189416_100009814379 [0,2,0,0,0,0|2,0,0]=4 10256 B15R0.366 CCOC(=O)CCCCCCNCCCF 34a_100015189416_100009814379 [0,2,0,0,0,0|2,0,0]=4 10257 B15R0.366 CCOC(=O)CCCCCCNCCOC 2230a_100000209980_100009814379 [0,2,0,0,0,0|2,0,0]=4 10258 B15R0.366 CCOC(=O)CCCCCCNCCSC 2230a_100020590264_100009814379 [0,2,0,0,0,0|2,0,0]=4 10259 B15R0.366 CCOC(=O)CCCCCCOCCCBr 34a_100011217188_100009814379 [0,2,0,0,0,0|2,0,0]=4 10260 B15R0.366 CCOC(=O)CCCCCCOCCCCl 34a_100000230001_100009814379 [0,2,0,0,0,0|2,0,0]=4 10261 B15R0.366 CCOC(=O)CCCCCCOCCCF 34a_100000759539_100009814379 [0,2,0,0,0,0|2,0,0]=4 10262 B15R0.366 CCOC(=O)CCCCCCOCCCN 34a_100000182051_100009814379 [0,2,0,0,0,0|2,0,0]=4 10263 B15R0.366 CCOC(=O)CCCCCCOCCOC 34a_100000210237_100009814379 [0,2,0,0,0,0|2,0,0]=4 10264 B15R0.366 CCOC(=O)CCCCCCOCCSC 34a_100000230434_100009814379 [0,2,0,0,0,0|2,0,0]=4 10265 B15R0.366 CCOC(=O)CCCCCCOCCSC 7a_100000230434_100009814379 [0,2,0,0,0,0|2,0,0]=4 10266 B15R0.366 CCOC(=O)CCCCCCSCCCF 62a_100011934791_100009814379 [0,2,0,0,0,0|2,0,0]=4 10267 B15R0.366 CCOC(=O)CCCCCCSCCCO 62a_100011215043_100009814379 [0,2,0,0,0,0|2,0,0]=4 10268 B15R0.366 CCOC(=O)CCCCCCSCCOC 62a_100000233755_100009814379 [0,2,0,0,0,0|2,0,0]=4 10269 B15R0.366 CCOC(=O)CCCCCCSCCSC 62a_100000212216_100009814379 [0,2,0,0,0,0|2,0,0]=4 10270 B15R0.366 CCOC(=O)CCCCCNCCCCO 2230a_100000750430_100000755133 [0,2,0,0,0,0|2,0,0]=4 10271 B15R0.366 CCOC(=O)CCCCCNCCCCO 34a_100000750430_100000755133 [0,2,0,0,0,0|2,0,0]=4 10272 B15R0.366 CCOC(=O)CCCCCNCCCOC 34a_100150723488_100000755133 [0,2,0,0,0,0|2,0,0]=4 10273 B15R0.366 CCOC(=O)CCCCCNCCCSC 2230a_100000749238_100000755133 [0,2,0,0,0,0|2,0,0]=4 10274 B15R0.366 CCOC(=O)CCCCCNCCSCC 2230a_100000106463_100000755133 [0,2,0,0,0,0|2,0,0]=4 10275 B15R0.366 CCOC(=O)CCCCCOCCCCBr 34a_100011216708_100000755133 [0,2,0,0,0,0|2,0,0]=4 10276 B15R0.366 CCOC(=O)CCCCCOCCCCCl 34a_100000210776_100000755133 [0,2,0,0,0,0|2,0,0]=4 10277 B15R0.366 CCOC(=O)CCCCCOCCCCCl 7a_100000210776_100000755133 [0,2,0,0,0,0|2,0,0]=4 10278 B15R0.366 CCOC(=O)CCCCCOCCCCF 34a_100011995726_100000755133 [0,2,0,0,0,0|2,0,0]=4 10279 B15R0.366 CCOC(=O)CCCCCOCCCCF 7a_100011214988_100000729493 [0,2,0,0,0,0|2,0,0]=4 10280 B15R0.366 CCOC(=O)CCCCCOCCCCF 7a_100011995726_100000755133 [0,2,0,0,0,0|2,0,0]=4 10281 B15R0.366 CCOC(=O)CCCCCOCCCCI 34a_200012148704_100000755133 [0,2,0,0,0,0|2,0,0]=4 10282 B15R0.366 CCOC(=O)CCCCCOCCCCN 34a_100000750430_100000755133 [0,2,0,0,0,0|2,0,0]=4 10283 B15R0.366 CCOC(=O)CCCCCOCCCCO 7a_100011214988_100000210776 [0,2,0,0,0,0|2,0,0]=4 10284 B15R0.366 CCOC(=O)CCCCCOCCCNC 34a_100000213112_100000755133 [0,2,0,0,0,0|2,0,0]=4 10285 B15R0.366 CCOC(=O)CCCCCOCCCOC 34a_100000740835_100000755133 [0,2,0,0,0,0|2,0,0]=4 10286 B15R0.366 CCOC(=O)CCCCCOCCCOC 7a_100011214988_100000740836 [0,2,0,0,0,0|2,0,0]=4 10287 B15R0.366 CCOC(=O)CCCCCOCCCSC 34a_100000690336_100000755133 [0,2,0,0,0,0|2,0,0]=4 10288 B15R0.366 CCOC(=O)CCCCCOCCCSC 7a_100000690336_100000755133 [0,2,0,0,0,0|2,0,0]=4 10289 B15R0.366 CCOC(=O)CCCCCOCCSCC 34a_100000212035_100000755133 [0,2,0,0,0,0|2,0,0]=4 10290 B15R0.366 CCOC(=O)CCCCCOCCSCC 7a_100000212035_100000755133 [0,2,0,0,0,0|2,0,0]=4 10291 B15R0.366 CCOC(=O)CCCCCOCCSCC 7a_100011214988_100000757381 [0,2,0,0,0,0|2,0,0]=4 10292 B15R0.366 CCOC(=O)CCCCCSCCCCF 62a_100000729493_100000755133 [0,2,0,0,0,0|2,0,0]=4 10293 B15R0.366 CCOC(=O)CCCCCSCCCCF 62a_100000755133_100000729493 [0,2,0,0,0,0|2,0,0]=4 10294 B15R0.366 CCOC(=O)CCCCCSCCCCO 62a_100000210776_100000755133 [0,2,0,0,0,0|2,0,0]=4 10295 B15R0.366 CCOC(=O)CCCCCSCCCCO 62a_100000755133_100000210776 [0,2,0,0,0,0|2,0,0]=4 10296 B15R0.366 CCOC(=O)CCCCCSCCCOC 62a_100000709357_100000755133 [0,2,0,0,0,0|2,0,0]=4 10297 B15R0.366 CCOC(=O)CCCCCSCCCOC 62a_100000755133_100000709357 [0,2,0,0,0,0|2,0,0]=4 10298 B15R0.366 CCOC(=O)CCCCCSCCSCC 62a_100000755133_100000757381 [0,2,0,0,0,0|2,0,0]=4 10299 B15R0.366 CCOC(=O)CCCCCSCCSCC 62a_100000757381_100000755133 [0,2,0,0,0,0|2,0,0]=4 10300 B15R0.366 CCOC(=O)CCCCNCCCCCO 2230a_100000762737_100000750268 [0,2,0,0,0,0|2,0,0]=4 10301 B15R0.366 CCOC(=O)CCCCNCCCCCO 34a_100000762737_100000750268 [0,2,0,0,0,0|2,0,0]=4 10302 B15R0.366 CCOC(=O)CCCCOCCCCCBr 34a_100000746331_100000750268 [0,2,0,0,0,0|2,0,0]=4 10303 B15R0.366 CCOC(=O)CCCCOCCCCCBr 7a_100000746331_100000750268 [0,2,0,0,0,0|2,0,0]=4 10304 B15R0.366 CCOC(=O)CCCCOCCCCCCl 34a_100000746330_100000750268 [0,2,0,0,0,0|2,0,0]=4 10305 B15R0.366 CCOC(=O)CCCCOCCCCCCl 7a_100000746330_100000750268 [0,2,0,0,0,0|2,0,0]=4 10306 B15R0.366 CCOC(=O)CCCCOCCCCCI 34a_200012148887_100000750268 [0,2,0,0,0,0|2,0,0]=4 10307 B15R0.366 CCOC(=O)CCCCOCCCCCI 7a_200012148887_100000750268 [0,2,0,0,0,0|2,0,0]=4 10308 B15R0.366 CCOC(=O)CCCCOCCCCCN 34a_100000762737_100000750268 [0,2,0,0,0,0|2,0,0]=4 10309 B15R0.366 CCOC(=O)CCCCOCCCCOC 34a_100000740925_100000750268 [0,2,0,0,0,0|2,0,0]=4 10310 B15R0.366 CCOC(=O)CCCCOCCCCSC 34a_100011217163_100000750268 [0,2,0,0,0,0|2,0,0]=4 10311 B15R0.366 CCOC(=O)CCCCOCCCCSC 7a_100011217163_100000750268 [0,2,0,0,0,0|2,0,0]=4 10312 B15R0.366 CCOC(=O)CCCCOCCCSCC 34a_100011216438_100000750268 [0,2,0,0,0,0|2,0,0]=4 10313 B15R0.366 CCOC(=O)CCCCOCCCSCC 7a_100011216438_100000750268 [0,2,0,0,0,0|2,0,0]=4 10314 B15R0.366 CCOC(=O)CCCCSCCCCCF 62a_100000729378_100000750268 [0,2,0,0,0,0|2,0,0]=4 10315 B15R0.366 CCOC(=O)CCCCSCCCCCF 62a_100000750268_100000729378 [0,2,0,0,0,0|2,0,0]=4 10316 B15R0.366 CCOC(=O)CCCCSCCCCCO 62a_100000746330_100000750268 [0,2,0,0,0,0|2,0,0]=4 10317 B15R0.366 CCOC(=O)CCCCSCCCCCO 62a_100000750268_100000746330 [0,2,0,0,0,0|2,0,0]=4 10318 B15R0.366 CCOC(=O)CCCCSCCCCOC 62a_100000730899_100000750268 [0,2,0,0,0,0|2,0,0]=4 10319 B15R0.366 CCOC(=O)CCCCSCCCCOC 62a_100000750268_100000730899 [0,2,0,0,0,0|2,0,0]=4 10320 B15R0.366 CCOC(=O)CCCNCCCCCCO 2230a_100000686447_100009991533 [0,2,0,0,0,0|2,0,0]=4 10321 B15R0.366 CCOC(=O)CCCNCCCCCCO 34a_100000686447_100009991533 [0,2,0,0,0,0|2,0,0]=4 10322 B15R0.366 CCOC(=O)CCCNCCCCCOC 2230a_100000747528_100009991533 [0,2,0,0,0,0|2,0,0]=4 10323 B15R0.366 CCOC(=O)CCCNCCCCCOC 34a_100000747528_100009991533 [0,2,0,0,0,0|2,0,0]=4 10324 B15R0.366 CCOC(=O)CCCOCCCCCCBr 34a_100011215345_100009991533 [0,2,0,0,0,0|2,0,0]=4 10325 B15R0.366 CCOC(=O)CCCOCCCCCCBr 7a_100011215345_100011215271 [0,2,0,0,0,0|2,0,0]=4 10326 B15R0.366 CCOC(=O)CCCOCCCCCCCl 34a_100000766143_100009991533 [0,2,0,0,0,0|2,0,0]=4 10327 B15R0.366 CCOC(=O)CCCOCCCCCCCl 7a_100000766143_100011215271 [0,2,0,0,0,0|2,0,0]=4 10328 B15R0.366 CCOC(=O)CCCOCCCCCCF 34a_100000732779_100009991533 [0,2,0,0,0,0|2,0,0]=4 10329 B15R0.366 CCOC(=O)CCCOCCCCCCF 7a_100000732779_100011215271 [0,2,0,0,0,0|2,0,0]=4 10330 B15R0.366 CCOC(=O)CCCOCCCCCCF 7a_100012001163_100015922095 [0,2,0,0,0,0|2,0,0]=4 10331 B15R0.366 CCOC(=O)CCCOCCCCCCN 34a_100000686447_100009991533 [0,2,0,0,0,0|2,0,0]=4 10332 B15R0.366 CCOC(=O)CCCOCCCCCCO 7a_100012001163_100000766143 [0,2,0,0,0,0|2,0,0]=4 10333 B15R0.366 CCOC(=O)CCCOCCCCCNC 34a_100000722520_100009991533 [0,2,0,0,0,0|2,0,0]=4 10334 B15R0.366 CCOC(=O)CCCSCCCCCCF 62a_100009991533_100015922095 [0,2,0,0,0,0|2,0,0]=4 10335 B15R0.366 CCOC(=O)CCCSCCCCCCF 62a_100015922095_100009991533 [0,2,0,0,0,0|2,0,0]=4 10336 B15R0.366 CCOC(=O)CCCSCCCCCCO 62a_100000766143_100009991533 [0,2,0,0,0,0|2,0,0]=4 10337 B15R0.366 CCOC(=O)CCCSCCCCCCO 62a_100009991533_100000766143 [0,2,0,0,0,0|2,0,0]=4 10338 B15R0.366 CCOC(=O)CCNCCCCCCCO 2230a_100011996573_100011206558 [0,2,0,0,0,0|2,0,0]=4 10339 B15R0.366 CCOC(=O)CCNCCCCCCCO 34a_100011996573_100000765890 [0,2,0,0,0,0|2,0,0]=4 10340 B15R0.366 CCOC(=O)CCOCCCCCCCBr 34a_100000760002_100000765890 [0,2,0,0,0,0|2,0,0]=4 10341 B15R0.366 CCOC(=O)CCOCCCCCCCBr 7a_100000760002_100011206558 [0,2,0,0,0,0|2,0,0]=4 10342 B15R0.366 CCOC(=O)CCOCCCCCCCN 34a_100011996573_100000765890 [0,2,0,0,0,0|2,0,0]=4 10343 B15R0.366 CCOC(=O)CCOCCCCCCOC 34a_200012092642_100000765890 [0,2,0,0,0,0|2,0,0]=4 10344 B15R0.366 CCOC(=O)CCOCCCCCCOC 7a_200012092642_100011206558 [0,2,0,0,0,0|2,0,0]=4 10345 B15R0.366 CCOC(=O)CCSCCCCCCCO 62a_100000760002_100000765890 [0,2,0,0,0,0|2,0,0]=4 10346 B15R0.366 CCOC(=O)CCSCCCCCCCO 62a_100000765890_100000760002 [0,2,0,0,0,0|2,0,0]=4 10347 B15R0.366 CCOC(=O)CCSCCCCCCOC 62a_100000765890_100011998445 [0,2,0,0,0,0|2,0,0]=4 10348 B15R0.366 CCOC(=O)CCSCCCCCCOC 62a_100011998445_100000765890 [0,2,0,0,0,0|2,0,0]=4 10349 B15R0.366 CCOC(=O)CNCCCCCCCCO 2230a_102515433106_100000188475 [0,2,0,0,0,0|2,0,0]=4 10350 B15R0.366 CCOC(=O)CNCCCCCCCCO 34a_102515433106_100000188475 [0,2,0,0,0,0|2,0,0]=4 10351 B15R0.366 CCOC(=O)COCCCCCCCCBr 34a_100009813846_100000188475 [0,2,0,0,0,0|1,0,0]=3 10352 B15R0.366 CCOC(=O)COCCCCCCCCBr 7a_100009813846_100000188475 [0,2,0,0,0,0|1,0,0]=3 10353 B15R0.366 CCOC(=O)COCCCCCCCCCl 34a_100000033203_100000188475 [0,2,0,0,0,0|1,0,0]=3 10354 B15R0.366 CCOC(=O)COCCCCCCCCCl 7a_100000033203_100000188475 [0,2,0,0,0,0|1,0,0]=3 10355 B15R0.366 CCOC(=O)COCCCCCCCCN 34a_102515433106_100000188475 [0,2,0,0,0,0|1,0,0]=3 10356 B15R0.366 CCOC(=O)COCCCCCNCCN 34a_103619048469_100000188475 [0,2,0,0,0,0|2,0,0]=4 10357 B15R0.366 CCOC(=O)COCCCNCCCCO 2230a_100000750430_100009893628 [0,2,0,0,0,0|2,0,0]=4 10358 B15R0.366 CCOC(=O)COCCCNCCCCO 34a_100000750430_100009893628 [0,2,0,0,0,0|2,0,0]=4 10359 B15R0.366 CCOC(=O)COCCCNCCCOC 34a_100150723488_100009893628 [0,2,0,0,0,0|2,0,0]=4 10360 B15R0.366 CCOC(=O)COCCCNCCCSC 2230a_100000749238_100009893628 [0,2,0,0,0,0|2,0,0]=4 10361 B15R0.366 CCOC(=O)COCCCNCCSCC 2230a_100000106463_100009893628 [0,2,0,0,0,0|2,0,0]=4 10362 B15R0.366 CCOC(=O)COCCCOCCCCBr 34a_100011216708_100009893628 [0,2,0,0,0,0|2,0,0]=4 10363 B15R0.366 CCOC(=O)COCCCOCCCCCl 34a_100000210776_100009893628 [0,2,0,0,0,0|2,0,0]=4 10364 B15R0.366 CCOC(=O)COCCCOCCCCCl 7a_100000210776_100009893628 [0,2,0,0,0,0|2,0,0]=4 10365 B15R0.366 CCOC(=O)COCCCOCCCCF 34a_100011995726_100009893628 [0,2,0,0,0,0|2,0,0]=4 10366 B15R0.366 CCOC(=O)COCCCOCCCCF 7a_100011995726_100009893628 [0,2,0,0,0,0|2,0,0]=4 10367 B15R0.366 CCOC(=O)COCCCOCCCCI 34a_200012148704_100009893628 [0,2,0,0,0,0|2,0,0]=4 10368 B15R0.366 CCOC(=O)COCCCOCCCCN 34a_100000750430_100009893628 [0,2,0,0,0,0|2,0,0]=4 10369 B15R0.366 CCOC(=O)COCCCOCCCNC 34a_100000213112_100009893628 [0,2,0,0,0,0|2,0,0]=4 10370 B15R0.366 CCOC(=O)COCCCOCCCOC 34a_100000740835_100009893628 [0,2,0,0,0,0|2,0,0]=4 10371 B15R0.366 CCOC(=O)COCCCOCCCOC 34a_200011215475_100000188475 [0,2,0,0,0,0|2,0,0]=4 10372 B15R0.366 CCOC(=O)COCCCOCCCOC 7a_200011215475_100000188475 [0,2,0,0,0,0|2,0,0]=4 10373 B15R0.366 CCOC(=O)COCCCOCCCSC 34a_100000690336_100009893628 [0,2,0,0,0,0|2,0,0]=4 10374 B15R0.366 CCOC(=O)COCCCOCCCSC 7a_100000690336_100009893628 [0,2,0,0,0,0|2,0,0]=4 10375 B15R0.366 CCOC(=O)COCCCOCCSCC 34a_100000212035_100009893628 [0,2,0,0,0,0|2,0,0]=4 10376 B15R0.366 CCOC(=O)COCCCOCCSCC 7a_100000212035_100009893628 [0,2,0,0,0,0|2,0,0]=4 10377 B15R0.366 CCOC(=O)COCCCSCCCCF 62a_100000729493_100009893628 [0,2,0,0,0,0|2,0,0]=4 10378 B15R0.366 CCOC(=O)COCCCSCCCCF 62a_100009893628_100000729493 [0,2,0,0,0,0|2,0,0]=4 10379 B15R0.366 CCOC(=O)COCCCSCCCCO 62a_100000210776_100009893628 [0,2,0,0,0,0|2,0,0]=4 10380 B15R0.366 CCOC(=O)COCCCSCCCCO 62a_100009893628_100000210776 [0,2,0,0,0,0|2,0,0]=4 10381 B15R0.366 CCOC(=O)COCCCSCCCOC 62a_100000709357_100009893628 [0,2,0,0,0,0|2,0,0]=4 10382 B15R0.366 CCOC(=O)COCCCSCCCOC 62a_100009893628_100000709357 [0,2,0,0,0,0|2,0,0]=4 10383 B15R0.366 CCOC(=O)COCCCSCCSCC 62a_100000757381_100009893628 [0,2,0,0,0,0|2,0,0]=4 10384 B15R0.366 CCOC(=O)COCCCSCCSCC 62a_100009893628_100000757381 [0,2,0,0,0,0|2,0,0]=4 10385 B15R0.366 CCOC(=O)COCCNCCCCCO 2230a_100000762737_100000088970 [0,2,0,0,0,0|2,0,0]=4 10386 B15R0.366 CCOC(=O)COCCNCCCCCO 34a_100000762737_100000088970 [0,2,0,0,0,0|2,0,0]=4 10387 B15R0.366 CCOC(=O)COCCOCCCCCBr 34a_100000746331_100000088970 [0,2,0,0,0,0|2,0,0]=4 10388 B15R0.366 CCOC(=O)COCCOCCCCCBr 7a_100000746331_100000088970 [0,2,0,0,0,0|2,0,0]=4 10389 B15R0.366 CCOC(=O)COCCOCCCCCCl 34a_100000746330_100000088970 [0,2,0,0,0,0|2,0,0]=4 10390 B15R0.366 CCOC(=O)COCCOCCCCCCl 7a_100000746330_100000088970 [0,2,0,0,0,0|2,0,0]=4 10391 B15R0.366 CCOC(=O)COCCOCCCCCI 34a_200012148887_100000088970 [0,2,0,0,0,0|2,0,0]=4 10392 B15R0.366 CCOC(=O)COCCOCCCCCI 7a_200012148887_100000088970 [0,2,0,0,0,0|2,0,0]=4 10393 B15R0.366 CCOC(=O)COCCOCCCCCN 34a_100000762737_100000088970 [0,2,0,0,0,0|2,0,0]=4 10394 B15R0.366 CCOC(=O)COCCOCCCCOC 34a_100000740925_100000088970 [0,2,0,0,0,0|2,0,0]=4 10395 B15R0.366 CCOC(=O)COCCOCCCCSC 34a_100011217163_100000088970 [0,2,0,0,0,0|2,0,0]=4 10396 B15R0.366 CCOC(=O)COCCOCCCCSC 7a_100011217163_100000088970 [0,2,0,0,0,0|2,0,0]=4 10397 B15R0.366 CCOC(=O)COCCOCCCSCC 34a_100011216438_100000088970 [0,2,0,0,0,0|2,0,0]=4 10398 B15R0.366 CCOC(=O)COCCOCCCSCC 7a_100011216438_100000088970 [0,2,0,0,0,0|2,0,0]=4 10399 B15R0.366 CCOC(=O)COCCSCCCCCF 62a_100000088970_100000729378 [0,2,0,0,0,0|2,0,0]=4 10400 B15R0.366 CCOC(=O)COCCSCCCCCF 62a_100000729378_100000088970 [0,2,0,0,0,0|2,0,0]=4 10401 B15R0.366 CCOC(=O)COCCSCCCCCO 62a_100000088970_100000746330 [0,2,0,0,0,0|2,0,0]=4 10402 B15R0.366 CCOC(=O)COCCSCCCCCO 62a_100000746330_100000088970 [0,2,0,0,0,0|2,0,0]=4 10403 B15R0.366 CCOC(=O)COCCSCCCCOC 62a_100000088970_100000730899 [0,2,0,0,0,0|2,0,0]=4 10404 B15R0.366 CCOC(=O)COCCSCCCCOC 62a_100000730899_100000088970 [0,2,0,0,0,0|2,0,0]=4 10405 B15R0.366 CCOC(=O)CSCCCCCCCCO 62a_100000033203_100000188475 [0,2,0,0,0,0|1,1,0]=4 10406 B15R0.366 CCOC(=O)CSCCCCCCCCO 62a_100000188475_100000033203 [0,2,0,0,0,0|1,1,0]=4 10407 B15R0.366 CCOC(=O)NCCOCCCCCCBr 7a_100011215345_200011445536 [0,2,0,0,0,0|2,0,0]=4 10408 B15R0.366 CCOC(=O)NCCOCCCCCCCl 7a_100000766143_200011445536 [0,2,0,0,0,0|2,0,0]=4 10409 B15R0.366 CCOC(=O)NCCOCCCCCCF 34a_100000158857_100015922095 [0,2,0,0,0,0|2,0,0]=4 10410 B15R0.366 CCOC(=O)NCCOCCCCCCF 7a_100000732779_200011445536 [0,2,0,0,0,0|2,0,0]=4 10411 B15R0.366 CCOC(=O)NCCOCCCCCCO 34a_100000158857_100000766143 [0,2,0,0,0,0|2,0,0]=4 10412 B15R0.366 CCOC(=O)NCCSCCCCCCF 62a_100015922095_200011445536 [0,2,0,0,0,0|2,0,0]=4 10413 B15R0.366 CCOC(=O)NCCSCCCCCCO 62a_100000766143_200011445536 [0,2,0,0,0,0|2,0,0]=4 10414 B15R0.366 CCOC(=O)OCSCCCCCCC#N 62a_100009813337_100000075025 [0,2,0,0,0,0|1,0,1]=4 10415 B15R0.366 CCOC(=O)OCSCCCCCCCO 62a_100000760002_100000075025 [0,2,0,0,0,0|1,0,0]=3 10416 B15R0.366 CCOC(=O)OCSCCCCCCOC 62a_100011998445_100000075025 [0,2,0,0,0,0|1,0,0]=3 10417 B15R0.366 CCOC(=O)OCSCCCOCCOC 62a_100011216529_100000075025 [0,2,0,0,0,0|2,0,0]=4 10418 B15R0.366 CCOCCCCCCCCC(=O)OCC 34a_100121572206_100010175975 [0,2,0,0,0,0|2,0,0]=4 10419 B15R0.366 CCOCCCNCCCCC(=O)OCC 2230a_100000210961_100000750268 [0,2,0,0,0,0|2,0,0]=4 10420 B15R0.366 CCOCCCNCCCCC(=O)OCC 34a_100000210961_100000750268 [0,2,0,0,0,0|2,0,0]=4 10421 B15R0.366 CCOCCCNCCOCC(=O)OCC 2230a_100000210961_100000088970 [0,2,0,0,0,0|2,0,0]=4 10422 B15R0.366 CCOCCCNCCOCC(=O)OCC 34a_100000210961_100000088970 [0,2,0,0,0,0|2,0,0]=4 10423 B15R0.366 CCOCCCOCCCCC(=O)OCC 34a_100000757476_100000750268 [0,2,0,0,0,0|2,0,0]=4 10424 B15R0.366 CCOCCCOCCCCC(=O)OCC 7a_100000757476_100000750268 [0,2,0,0,0,0|2,0,0]=4 10425 B15R0.366 CCOCCCOCCOCC(=O)OCC 34a_100000757476_100000088970 [0,2,0,0,0,0|2,0,0]=4 10426 B15R0.366 CCOCCCOCCOCC(=O)OCC 7a_100000757476_100000088970 [0,2,0,0,0,0|2,0,0]=4 10427 B15R0.366 CCOCCCSCCCCC(=O)OCC 62a_100000750268_100012232248 [0,2,0,0,0,0|2,0,0]=4 10428 B15R0.366 CCOCCCSCCCCC(=O)OCC 62a_100012232248_100000750268 [0,2,0,0,0,0|2,0,0]=4 10429 B15R0.366 CCOCCCSCCOCC(=O)OCC 62a_100000088970_100012232248 [0,2,0,0,0,0|2,0,0]=4 10430 B15R0.366 CCOCCCSCCOCC(=O)OCC 62a_100012232248_100000088970 [0,2,0,0,0,0|2,0,0]=4 10431 B15R0.366 CCOCCNCCCCCC(=O)OCC 2230a_102516460346_100000755133 [0,2,0,0,0,0|2,0,0]=4 10432 B15R0.366 CCOCCNCCCCCC(=O)OCC 34a_102516460346_100000755133 [0,2,0,0,0,0|2,0,0]=4 10433 B15R0.366 CCOCCNCCCOCC(=O)OCC 2230a_102516460346_100009893628 [0,2,0,0,0,0|2,0,0]=4 10434 B15R0.366 CCOCCNCCCOCC(=O)OCC 34a_102516460346_100009893628 [0,2,0,0,0,0|2,0,0]=4 10435 B15R0.366 CCOCCOCCCCCC(=O)OCC 34a_100000210136_100000755133 [0,2,0,0,0,0|2,0,0]=4 10436 B15R0.366 CCOCCOCCCCCC(=O)OCC 7a_100000210136_100000755133 [0,2,0,0,0,0|2,0,0]=4 10437 B15R0.366 CCOCCOCCCCCC(=O)OCC 7a_100011214988_100011215890 [0,2,0,0,0,0|2,0,0]=4 10438 B15R0.366 CCOCCOCCCOCC(=O)OCC 34a_100000210136_100009893628 [0,2,0,0,0,0|2,0,0]=4 10439 B15R0.366 CCOCCOCCCOCC(=O)OCC 7a_100000210136_100009893628 [0,2,0,0,0,0|2,0,0]=4 10440 B15R0.366 CCOCCOCCSCOC(=O)OCC 62a_100011211534_100000075025 [0,2,0,0,0,0|2,0,0]=4 10441 B15R0.366 CCOCCSCCCCCC(=O)OCC 62a_100000210147_100000755133 [0,2,0,0,0,0|2,0,0]=4 10442 B15R0.366 CCOCCSCCCCCC(=O)OCC 62a_100000755133_100011215890 [0,2,0,0,0,0|2,0,0]=4 10443 B15R0.366 CCOCCSCCCOCC(=O)OCC 62a_100000210147_100009893628 [0,2,0,0,0,0|2,0,0]=4 10444 B15R0.366 CCOCCSCCCOCC(=O)OCC 62a_100009893628_100011215890 [0,2,0,0,0,0|2,0,0]=4 10445 B15R0.366 CCOCSCCCCCCC(=O)OCC 62a_100000739092_100009814379 [0,2,0,0,0,0|2,0,0]=4 10446 B15R0.366 COCC(=O)CCCCCCCCCCO 1458a_100000210968_100009813290 [0,2,0,0,0,0|2,0,0]=4 10447 B15R0.366 COCC(=O)NCCCCCCCCCO 240690a_100000078944_100000210968 [0,2,0,0,0,0|2,0,0]=4 10448 B15R0.366 CSCC(=O)CCCCCCCCCCO 1458a_100000184570_100009813290 [0,2,0,0,0,0|2,0,0]=4 10449 B15R0.366 CSCC(=O)NCCCCCCCCCO 240690a_100000078944_100000184570 [0,2,0,0,0,0|2,0,0]=4 10450 B15R0.366 NCCCCCCCCOCC(=O)NCO 34a_102515433106_100000185155 [0,2,0,0,0,0|2,0,0]=4 10451 B15R0.366 O=C(CCO)CCCCCCCCCCO 1458a_100011216618_100009813290 [0,2,0,0,0,0|2,0,0]=4 10452 B15R0.366 O=C(CCO)NCCCCCCCCCO 240690a_100000078944_100011216618 [0,2,0,0,0,0|2,0,0]=4 10453 B15R0.366 O=C(COCCCCCCCCBr)NCO 34a_100009813846_100000185155 [0,2,0,0,0,0|2,0,0]=4 10454 B15R0.366 O=C(COCCCCCCCCBr)NCO 7a_100009813846_100000185155 [0,2,0,0,0,0|2,0,0]=4 10455 B15R0.366 O=C(COCCCCCCCCCl)NCO 34a_100000033203_100000185155 [0,2,0,0,0,0|2,0,0]=4 10456 B15R0.366 O=C(COCCCCCCCCCl)NCO 7a_100000033203_100000185155 [0,2,0,0,0,0|2,0,0]=4 10457 B15R0.384 CCC(C)CCCCCOCC(=O)NCO 7a_200000035636_100000185155 [0,2,0,0,0,0|2,0,0]=4 10458 B15R0.384 CCCC(=O)CCCCCCCC(=O)OC 1458a_100000033222_100000210303 [0,2,0,0,0,0|1,0,1]=4 10459 B15R0.384 CCCC(=O)CCCCCCCC(=O)OC 1458a_100000211992_100010004213 [0,2,0,0,0,0|1,0,1]=4 10460 B15R0.384 CCCC(=O)COCCCCCC(=O)OC 7a_100000074720_100000747444 [0,2,0,0,0,0|1,0,1]=4 10461 B15R0.384 CCCC(=O)COCCCCCC(C)CC 7a_200000035636_100000747444 [0,2,0,0,0,0|0,0,0]=2 10462 B15R0.384 CCCC(=O)NCCCCCCC(=O)OC 188690a_100000739044_100000211992 [0,2,0,0,0,0|1,0,1]=4 10463 B15R0.384 CCCC(=O)OCOCCCCC(=O)OC 34a_100000059025_100000034017 [0,2,0,0,0,0|1,0,1]=4 10464 B15R0.384 CCCC(=O)OCSCCCCC(=O)OC 62a_100000204269_100000034017 [0,2,0,0,0,0|1,0,1]=4 10465 B15R0.384 CCCC(C)COCCCCCC(C)CC 7a_200000035636_100011216630 [0,2,0,0,0,0|1,0,1]=4 10466 B15R0.384 CCNC(=O)COCCCCCC(C)CC 7a_200000035636_100000183381 [0,2,0,0,0,0|1,0,0]=3 10467 B15R0.384 CCOC(=O)CCCCCCCC(=O)CC 1458a_100000210414_100009991516 [0,2,0,0,0,0|2,0,0]=4 10468 B15R0.384 CCOC(=O)CCCCCCCN(C)CC 2230a_100000225621_100009991516 [0,2,0,0,0,0|2,0,0]=4 10469 B15R0.384 CCOC(=O)CCCCCCCN(C)CC 269982a_100000225621_100009991516 [0,2,0,0,0,0|2,0,0]=4 10470 B15R0.384 CCOC(=O)CCCCCCNC(C)CC 2230a_100000209981_100009814379 [0,2,0,0,0,0|2,0,0]=4 10471 B15R0.384 CCOC(=O)CCCCCCOC(C)CC 7a_100000210228_100009814379 [0,2,0,0,0,0|2,0,0]=4 10472 B15R0.384 CCOC(=O)CCCCCCSC(C)CC 62a_100000758301_100009814379 [0,2,0,0,0,0|2,0,0]=4 10473 B15R0.384 CCOC(=O)CCCCCNCC(C)CC 2230a_100020588543_100000755133 [0,2,0,0,0,0|2,0,0]=4 10474 B15R0.384 CCOC(=O)CCCCCNCC(O)CC 2230a_100011218483_100000755133 [0,2,0,0,0,0|2,0,0]=4 10475 B15R0.384 CCOC(=O)CCCCCOCC(C)CC 7a_100011214988_100000748023 [0,2,0,0,0,0|2,0,0]=4 10476 B15R0.384 CCOC(=O)CCCCCOCC(O)CC 7a_100011214988_100011218378 [0,2,0,0,0,0|2,0,0]=4 10477 B15R0.384 CCOC(=O)CCCCCOC[C@@H](C)CC 7a_100009816381_100000755133 [0,2,0,0,0,0|2,0,0]=4 10478 B15R0.384 CCOC(=O)CCCCCOC[C@@H](C)CC 7a_100011214988_100009816398 [0,2,0,0,0,0|2,0,0]=4 10479 B15R0.384 CCOC(=O)CCCCCSCC(C)CC 62a_100000748023_100000755133 [0,2,0,0,0,0|2,0,0]=4 10480 B15R0.384 CCOC(=O)CCCCCSCC(C)CC 62a_100000755133_100000748023 [0,2,0,0,0,0|2,0,0]=4 10481 B15R0.384 CCOC(=O)CCCCCSCC(O)CC 62a_100000755133_100011218378 [0,2,0,0,0,0|2,0,0]=4 10482 B15R0.384 CCOC(=O)CCCCCSCC(O)CC 62a_100011218378_100000755133 [0,2,0,0,0,0|2,0,0]=4 10483 B15R0.384 CCOC(=O)CCCCCSC[C@@H](C)CC 62a_100000755133_100009816398 [0,2,0,0,0,0|2,0,0]=4 10484 B15R0.384 CCOC(=O)CCCCCSC[C@@H](C)CC 62a_100009816398_100000755133 [0,2,0,0,0,0|2,0,0]=4 10485 B15R0.384 CCOC(=O)CCCCNCCC(C)CC 2230a_100020591266_100000750268 [0,2,0,0,0,0|2,0,0]=4 10486 B15R0.384 CCOC(=O)CCCCOCCC(C)CC 7a_100011215188_100000750268 [0,2,0,0,0,0|2,0,0]=4 10487 B15R0.384 CCOC(=O)CCCOCCCC(C)CC 7a_100011216074_100011215271 [0,2,0,0,0,0|2,0,0]=4 10488 B15R0.384 CCOC(=O)COCCCCCC(C)CC 7a_200000035636_100000188475 [0,2,0,0,0,0|1,0,0]=3 10489 B15R0.384 CCOC(=O)COCCCNCC(C)CC 2230a_100020588543_100009893628 [0,2,0,0,0,0|2,0,0]=4 10490 B15R0.384 CCOC(=O)COCCCNCC(O)CC 2230a_100011218483_100009893628 [0,2,0,0,0,0|2,0,0]=4 10491 B15R0.384 CCOC(=O)COCCCOC[C@@H](C)CC 7a_100009816381_100009893628 [0,2,0,0,0,0|2,0,0]=4 10492 B15R0.384 CCOC(=O)COCCCSCC(C)CC 62a_100000748023_100009893628 [0,2,0,0,0,0|2,0,0]=4 10493 B15R0.384 CCOC(=O)COCCCSCC(C)CC 62a_100009893628_100000748023 [0,2,0,0,0,0|2,0,0]=4 10494 B15R0.384 CCOC(=O)COCCCSCC(O)CC 62a_100009893628_100011218378 [0,2,0,0,0,0|2,0,0]=4 10495 B15R0.384 CCOC(=O)COCCCSCC(O)CC 62a_100011218378_100009893628 [0,2,0,0,0,0|2,0,0]=4 10496 B15R0.384 CCOC(=O)COCCCSC[C@@H](C)CC 62a_100009816398_100009893628 [0,2,0,0,0,0|2,0,0]=4 10497 B15R0.384 CCOC(=O)COCCCSC[C@@H](C)CC 62a_100009893628_100009816398 [0,2,0,0,0,0|2,0,0]=4 10498 B15R0.384 CCOC(=O)COCCNCCC(C)CC 2230a_100020591266_100000088970 [0,2,0,0,0,0|2,0,0]=4 10499 B15R0.384 CCOC(=O)COCCOCCC(C)CC 7a_100011215188_100000088970 [0,2,0,0,0,0|2,0,0]=4 10500 B15R0.384 CCOC(=O)NCCOCCCC(C)CC 7a_100011216074_200011445536 [0,2,0,0,0,0|2,0,0]=4 10501 B15R0.1157 CCCC(C)(C)OCCCCCCCCO 7a_100000748436_100000033203 [0,2,0,0,0,0|1,0,1]=4 10502 B15R0.1157 CCCCCCCCCNS(=O)(=O)CCC 270084a_100000212291_100000211391 [0,2,0,0,0,0|2,0,0]=4 10503 B15R0.1157 CCCCCCCCCNS(=O)(=O)CCC 274078a_100000212291_100000211391 [0,2,0,0,0,0|2,0,0]=4 10504 B15R0.1157 CCCCCCCCCNS(=O)(=O)CCC 40a_100000212291_100000054278 [0,2,0,0,0,0|2,0,0]=4 10505 B15R0.1157 CCCCCCCCCOC(C)(C)CCC 7a_100000748436_100000210328 [0,2,0,0,0,0|1,0,1]=4 10506 B15R0.1157 CCCCCCCCOCC(C)(C)CCC 7a_100011995695_100000210759 [0,2,0,0,0,0|1,0,1]=4 10507 B15R0.1157 CCCS(=O)(=O)NCCCCCCCCO 270084a_102515433106_100000211391 [0,2,0,0,0,0|2,0,0]=4 10508 B15R0.1157 CCCS(=O)(=O)NCCCCCCCCO 274078a_102515433106_100000211391 [0,2,0,0,0,0|2,0,0]=4 10509 B15R0.1157 CCCS(=O)(=O)NCCCCCCCCO 40a_102515433106_100000054278 [0,2,0,0,0,0|2,0,0]=4 10510 B15R0.2002 C#CCCC(=O)C=CCCCCCCCC 1458a_100015345288_100000753159 [0,2,0,0,0,0|1,0,1]=4 10511 B15R0.2002 C#CCCC(=O)CCCCCCCCCC 1458a_100000210375_100000753159 [0,2,0,0,0,0|1,0,1]=4 10512 B15R0.2002 C#CCCC(=O)CCCCCCCCCC 1458a_100000692101_100000210319 [0,2,0,0,0,0|1,0,1]=4 10513 B15R0.2002 C#CCCC(=O)CCCCCCCCCF 1458a_200009909015_100000753159 [0,2,0,0,0,0|1,0,1]=4 10514 B15R0.2002 C#CCCC(=O)CCCCCCCCCO 1458a_100000692101_100009813782 [0,2,0,0,0,0|1,0,1]=4 10515 B15R0.2002 C#CCCC(=O)CCOCCCCCCC 34a_100011064465_100000210614 [0,2,0,0,0,0|1,0,1]=4 10516 B15R0.2002 C#CCCC(=O)CCOCCCCCCC 7a_100011064465_100000210614 [0,2,0,0,0,0|1,0,1]=4 10517 B15R0.2002 C#CCCC(=O)COCCCCCCCC 1458a_100000759886_100000753159 [0,2,0,0,0,0|0,0,1]=3 10518 B15R0.2002 C#CCCC(=O)NCCCCCCCCC 11a_100000212291_100000692101 [0,2,0,0,0,0|1,0,1]=4 10519 B15R0.2002 C#CCCC(=O)NCCCCCCCCC 1626a_100000212291_100000692101 [0,2,0,0,0,0|1,0,1]=4 10520 B15R0.2002 C#CCCC(=O)NCCCCCCCCC 240690a_100000212291_100000692101 [0,2,0,0,0,0|1,0,1]=4 10521 B15R0.2002 C#CCCC(=O)NCCCCCCCCC 527a_100000212291_100000692101 [0,2,0,0,0,0|1,0,1]=4 10522 B15R0.2002 C#CCCC(=O)NCCCCCCCCO 240690a_102515433106_100000692101 [0,2,0,0,0,0|1,0,1]=4 10523 B15R0.2002 C#CCCCCCCCCC(=O)CCCC 1458a_100000029693_100000210211 [0,2,0,0,0,0|1,0,1]=4 10524 B15R0.2002 C#CCCCCCCCCC(=O)CCCF 1458a_100000029693_100011934791 [0,2,0,0,0,0|1,0,1]=4 10525 B15R0.2002 C#CCCCCCCCCC(=O)CCCO 1458a_100000029693_100011215043 [0,2,0,0,0,0|1,0,1]=4 10526 B15R0.2002 C#CCCCCCCCCC(=O)CCOC 1458a_100000029693_100000233755 [0,2,0,0,0,0|1,0,1]=4 10527 B15R0.2002 C#CCCCCCCCCC(=O)CCSC 1458a_100000029693_100000751147 [0,2,0,0,0,0|1,0,1]=4 10528 B15R0.2002 C#CCCCCCCCCC(=O)NCCC 11a_100020643023_100000029693 [0,2,0,0,0,0|1,0,1]=4 10529 B15R0.2002 C#CCCCCCCCCC(=O)NCCC 1626a_100020643023_100000029693 [0,2,0,0,0,0|1,0,1]=4 10530 B15R0.2002 C#CCCCCCCCCC(=O)NCCC 240690a_100020643023_100000029693 [0,2,0,0,0,0|1,0,1]=4 10531 B15R0.2002 C#CCCCCCCCCC(=O)NCCC 527a_100020643023_100000029693 [0,2,0,0,0,0|1,0,1]=4 10532 B15R0.2002 C#CCCCCCCOCC(=O)NCCC 34a_100011217361_100000183358 [0,2,0,0,0,0|0,0,2]=4 10533 B15R0.2002 C#CCCCCCCOCC(=O)NCCC 7a_100011217361_100000183358 [0,2,0,0,0,0|0,0,2]=4 10534 B15R0.2002 C#CCCCCCCOCC(=O)OCCC 34a_100011217361_200011215008 [0,2,0,0,0,0|0,0,2]=4 10535 B15R0.2002 C#CCCCCCCOCC(=O)OCCC 7a_100011217361_200011215008 [0,2,0,0,0,0|0,0,2]=4 10536 B15R0.2002 C#CCCCCCOCOC(=O)OCCC 34a_100000766912_200000139673 [0,2,0,0,0,0|0,0,2]=4 10537 B15R0.2002 C#CCCCCCOCOC(=O)OCCC 7a_100000766912_200000139673 [0,2,0,0,0,0|0,0,2]=4 10538 B15R0.2002 C#CCCCCCSCOC(=O)OCCC 62a_100012094781_200000139673 [0,2,0,0,0,0|0,0,2]=4 10539 B15R0.2002 C#CCNC(=O)COCCCCCCCC 11a_100000212058_100000759886 [0,2,0,0,0,0|0,0,2]=4 10540 B15R0.2002 C#CCNC(=O)COCCCCCCCC 1626a_100000212058_100000759886 [0,2,0,0,0,0|0,0,2]=4 10541 B15R0.2002 C#CCNC(=O)COCCCCCCCC 240690a_100000212058_100000759886 [0,2,0,0,0,0|0,0,2]=4 10542 B15R0.2002 C#CCNC(=O)COCCCCCCCC 527a_100000212058_100000759886 [0,2,0,0,0,0|0,0,2]=4 10543 B15R0.2002 C/C=C/CC(=O)C=CCCCCCCCC 1458a_100015345288_100102629194 [0,2,0,0,0,0|1,0,1]=4 10544 B15R0.2002 C/C=C/CC(=O)CCCCCCCCCC 1458a_100000210375_100102629194 [0,2,0,0,0,0|1,0,1]=4 10545 B15R0.2002 C/C=C/CC(=O)CCCCCCCCCF 1458a_200009909015_100102629194 [0,2,0,0,0,0|1,0,1]=4 10546 B15R0.2002 C/C=C/CC(=O)COCCCCCCCC 1458a_100000759886_100102629194 [0,2,0,0,0,0|0,0,1]=3 10547 B15R0.2002 C=C(COCCCCCCCC)OCOC 34a_100000210232_100000042856 [0,2,0,0,0,0|2,0,0]=4 10548 B15R0.2002 C=CCCC(=O)C=CCCCCCCCC 1458a_100015345288_100000754431 [0,2,0,0,0,0|1,0,1]=4 10549 B15R0.2002 C=CCCC(=O)CCCCCCCCCC 1458a_100000210375_100000754431 [0,2,0,0,0,0|1,0,1]=4 10550 B15R0.2002 C=CCCC(=O)CCCCCCCCCC 1458a_100000749702_100000210319 [0,2,0,0,0,0|1,0,1]=4 10551 B15R0.2002 C=CCCC(=O)CCCCCCCCCF 1458a_200009909015_100000754431 [0,2,0,0,0,0|1,0,1]=4 10552 B15R0.2002 C=CCCC(=O)CCCCCCCCCO 1458a_100000749702_100009813782 [0,2,0,0,0,0|1,0,1]=4 10553 B15R0.2002 C=CCCC(=O)COCCCCCCCC 1458a_100000759886_100000754431 [0,2,0,0,0,0|0,0,1]=3 10554 B15R0.2002 C=CCCC(=O)NCCCCCCCCC 11a_100000212291_100000749702 [0,2,0,0,0,0|1,0,1]=4 10555 B15R0.2002 C=CCCC(=O)NCCCCCCCCC 1626a_100000212291_100000749702 [0,2,0,0,0,0|1,0,1]=4 10556 B15R0.2002 C=CCCC(=O)NCCCCCCCCC 240690a_100000212291_100000749702 [0,2,0,0,0,0|1,0,1]=4 10557 B15R0.2002 C=CCCC(=O)NCCCCCCCCC 527a_100000212291_100000749702 [0,2,0,0,0,0|1,0,1]=4 10558 B15R0.2002 C=CCCC(=O)NCCCCCCCCO 240690a_102515433106_100000749702 [0,2,0,0,0,0|1,0,1]=4 10559 B15R0.2002 C=CCCCCCCCCC(=O)CCCC 1458a_100000210183_100011933949 [0,2,0,0,0,0|1,0,1]=4 10560 B15R0.2002 C=CCCCCCCCCC(=O)CCCC 1458a_100000211349_100000210211 [0,2,0,0,0,0|1,0,1]=4 10561 B15R0.2002 C=CCCCCCCCCC(=O)CCCF 1458a_100000211349_100011934791 [0,2,0,0,0,0|1,0,1]=4 10562 B15R0.2002 C=CCCCCCCCCC(=O)CCCO 1458a_100000211349_100011215043 [0,2,0,0,0,0|1,0,1]=4 10563 B15R0.2002 C=CCCCCCCCCC(=O)CCOC 1458a_100000211349_100000233755 [0,2,0,0,0,0|1,0,1]=4 10564 B15R0.2002 C=CCCCCCCCCC(=O)CCOC 1458a_100000749529_100011933949 [0,2,0,0,0,0|1,0,1]=4 10565 B15R0.2002 C=CCCCCCCCCC(=O)CCSC 1458a_100000174002_100011933949 [0,2,0,0,0,0|1,0,1]=4 10566 B15R0.2002 C=CCCCCCCCCC(=O)CCSC 1458a_100000211349_100000751147 [0,2,0,0,0,0|1,0,1]=4 10567 B15R0.2002 C=CCCCCCCCCC(=O)COCC 1458a_100000211967_100011933949 [0,2,0,0,0,0|1,0,1]=4 10568 B15R0.2002 C=CCCCCCCCCC(=O)CSCC 1458a_100000230394_100011933949 [0,2,0,0,0,0|1,0,1]=4 10569 B15R0.2002 C=CCCCCCCCCC(=O)NCCC 11a_100020643023_100000211349 [0,2,0,0,0,0|1,0,1]=4 10570 B15R0.2002 C=CCCCCCCCCC(=O)NCCC 1626a_100020643023_100000211349 [0,2,0,0,0,0|1,0,1]=4 10571 B15R0.2002 C=CCCCCCCCCC(=O)NCCC 240690a_100020643023_100000211349 [0,2,0,0,0,0|1,0,1]=4 10572 B15R0.2002 C=CCCCCCCCCC(=O)NCCC 527a_100020643023_100000211349 [0,2,0,0,0,0|1,0,1]=4 10573 B15R0.2002 C=CCCCCCCOCC(=O)NCCC 34a_200011216477_100000183358 [0,2,0,0,0,0|0,0,2]=4 10574 B15R0.2002 C=CCCCCCCOCC(=O)NCCC 7a_200011216477_100000183358 [0,2,0,0,0,0|0,0,2]=4 10575 B15R0.2002 C=CCCCCCCOCC(=O)OCCC 34a_200011216477_200011215008 [0,2,0,0,0,0|0,0,2]=4 10576 B15R0.2002 C=CCCCCCCOCC(=O)OCCC 7a_200011216477_200011215008 [0,2,0,0,0,0|0,0,2]=4 10577 B15R0.2002 C=CCCCCCOCOC(=O)OCCC 34a_100011216702_200000139673 [0,2,0,0,0,0|0,0,2]=4 10578 B15R0.2002 C=CCCCCCOCOC(=O)OCCC 7a_100011216702_200000139673 [0,2,0,0,0,0|0,0,2]=4 10579 B15R0.2002 C=CCCCCCSCOC(=O)OCCC 62a_100000700193_200000139673 [0,2,0,0,0,0|0,0,2]=4 10580 B15R0.2002 C=CCNC(=O)COCCCCCCCC 1626a_100020586998_100000759886 [0,2,0,0,0,0|0,0,2]=4 10581 B15R0.2002 C=CCNC(=O)COCCCCCCCC 240690a_100020586998_100000759886 [0,2,0,0,0,0|0,0,2]=4 10582 B15R0.2002 C=CCNC(=O)COCCCCCCCC 527a_100020586998_100000759886 [0,2,0,0,0,0|0,0,2]=4 10583 B15R0.2002 C=CCNC(=O)COCCCCCCCC 7a_100000210232_100000183597 [0,2,0,0,0,0|0,0,2]=4 10584 B15R0.2002 C=CCOC(=O)COCCCCCCCC 34a_100000210232_100000033060 [0,2,0,0,0,0|0,0,2]=4 10585 B15R0.2002 C=CCOC(=O)COCCCCCCCC 7a_100000210232_100000033060 [0,2,0,0,0,0|0,0,2]=4 10586 B15R0.2002 CC#CCC(=O)C=CCCCCCCCC 1458a_100015345288_100000748600 [0,2,0,0,0,0|1,0,1]=4 10587 B15R0.2002 CC#CCC(=O)CCCCCCCCCC 1458a_100000210375_100000748600 [0,2,0,0,0,0|1,0,1]=4 10588 B15R0.2002 CC#CCC(=O)CCCCCCCCCF 1458a_200009909015_100000748600 [0,2,0,0,0,0|1,0,1]=4 10589 B15R0.2002 CC#CCC(=O)COCCCCCCCC 1458a_100000759886_100000748600 [0,2,0,0,0,0|0,0,1]=3 10590 B15R0.2002 CC#CCCCCCCCC(=O)CCCC 1458a_100000066323_100000210211 [0,2,0,0,0,0|1,0,1]=4 10591 B15R0.2002 CC#CCCCCCCCC(=O)CCCF 1458a_100000066323_100011934791 [0,2,0,0,0,0|1,0,1]=4 10592 B15R0.2002 CC#CCCCCCCCC(=O)CCCO 1458a_100000066323_100011215043 [0,2,0,0,0,0|1,0,1]=4 10593 B15R0.2002 CC#CCCCCCCCC(=O)CCOC 1458a_100000066323_100000233755 [0,2,0,0,0,0|1,0,1]=4 10594 B15R0.2002 CC#CCCCCCCCC(=O)CCSC 1458a_100000066323_100000751147 [0,2,0,0,0,0|1,0,1]=4 10595 B15R0.2002 CC#CCCCCCCCC(=O)NCCC 11a_100020643023_100000066323 [0,2,0,0,0,0|1,0,1]=4 10596 B15R0.2002 CC#CCCCCCCCC(=O)NCCC 1626a_100020643023_100000066323 [0,2,0,0,0,0|1,0,1]=4 10597 B15R0.2002 CC#CCCCCCCCC(=O)NCCC 240690a_100020643023_100000066323 [0,2,0,0,0,0|1,0,1]=4 10598 B15R0.2002 CC#CCCCCCCCC(=O)NCCC 527a_100020643023_100000066323 [0,2,0,0,0,0|1,0,1]=4 10599 B15R0.2002 CC(CCCCl)OCCCCCCCCO 34a_200000718107_100000033203 [0,2,0,0,0,0|1,0,1]=4 10600 B15R0.2002 CC(CCCCl)OCCCCCCCCO 7a_200000718107_100000033203 [0,2,0,0,0,0|1,0,1]=4 10601 B15R0.2002 CC/C=C/CCCOCOC(=O)OCCC 34a_100016287902_200000139673 [0,2,0,0,0,0|0,0,2]=4 10602 B15R0.2002 CC/C=C/CCCOCOC(=O)OCCC 7a_100016287902_200000139673 [0,2,0,0,0,0|0,0,2]=4 10603 B15R0.2002 CC/C=C\CCCCOCC(=O)NCCC 34a_100016287862_100000183358 [0,2,0,0,0,0|0,0,2]=4 10604 B15R0.2002 CC/C=C\CCCCOCC(=O)NCCC 7a_100016287862_100000183358 [0,2,0,0,0,0|0,0,2]=4 10605 B15R0.2002 CC/C=C\CCCCOCC(=O)OCCC 34a_100016287862_200011215008 [0,2,0,0,0,0|0,0,2]=4 10606 B15R0.2002 CC/C=C\CCCCOCC(=O)OCCC 7a_100016287862_200011215008 [0,2,0,0,0,0|0,0,2]=4 10607 B15R0.2002 CC=CCC(=O)C=CCCCCCCCC 1458a_100015345288_100000070051 [0,2,0,0,0,0|1,0,1]=4 10608 B15R0.2002 CC=CCC(=O)CCCCCCCCCC 1458a_100000210375_100000070051 [0,2,0,0,0,0|1,0,1]=4 10609 B15R0.2002 CC=CCC(=O)CCCCCCCCCC 1458a_100121576822_100000210319 [0,2,0,0,0,0|1,0,1]=4 10610 B15R0.2002 CC=CCC(=O)CCCCCCCCCF 1458a_200009909015_100000070051 [0,2,0,0,0,0|1,0,1]=4 10611 B15R0.2002 CC=CCC(=O)CCCCCCCCCO 1458a_100121576822_100009813782 [0,2,0,0,0,0|1,0,1]=4 10612 B15R0.2002 CC=CCC(=O)COCCCCCCCC 1458a_100000759886_100000070051 [0,2,0,0,0,0|0,0,1]=3 10613 B15R0.2002 CC=CCC(=O)NCCCCCCCCC 11a_100000212291_100121576822 [0,2,0,0,0,0|1,0,1]=4 10614 B15R0.2002 CC=CCC(=O)NCCCCCCCCC 1626a_100000212291_100121576822 [0,2,0,0,0,0|1,0,1]=4 10615 B15R0.2002 CC=CCC(=O)NCCCCCCCCC 240690a_100000212291_100121576822 [0,2,0,0,0,0|1,0,1]=4 10616 B15R0.2002 CC=CCC(=O)NCCCCCCCCC 527a_100000212291_100121576822 [0,2,0,0,0,0|1,0,1]=4 10617 B15R0.2002 CC=CCC(=O)NCCCCCCCCO 240690a_102515433106_100121576822 [0,2,0,0,0,0|1,0,1]=4 10618 B15R0.2002 CCC#CC(=O)CCCCCCCCCC 1458a_100011827653_100000210319 [0,2,0,0,0,0|1,0,1]=4 10619 B15R0.2002 CCC#CC(=O)CCCCCCCCCO 1458a_100011827653_100009813782 [0,2,0,0,0,0|1,0,1]=4 10620 B15R0.2002 CCC#CCCCCCCC(=O)CCCC 1458a_100000210183_200000036426 [0,2,0,0,0,0|1,0,1]=4 10621 B15R0.2002 CCC#CCCCCCCC(=O)CCOC 1458a_100000749529_200000036426 [0,2,0,0,0,0|1,0,1]=4 10622 B15R0.2002 CCC#CCCCCCCC(=O)CCSC 1458a_100000174002_200000036426 [0,2,0,0,0,0|1,0,1]=4 10623 B15R0.2002 CCC#CCCCCCCC(=O)COCC 1458a_100000211967_200000036426 [0,2,0,0,0,0|1,0,1]=4 10624 B15R0.2002 CCC#CCCCCCCC(=O)CSCC 1458a_100000230394_200000036426 [0,2,0,0,0,0|1,0,1]=4 10625 B15R0.2002 CCC=CC(=O)CCCCCCCCCC 1458a_100000212282_100000210319 [0,2,0,0,0,0|1,0,1]=4 10626 B15R0.2002 CCC=CC(=O)CCCCCCCCCO 1458a_100000212282_100009813782 [0,2,0,0,0,0|1,0,1]=4 10627 B15R0.2002 CCC=CC(=O)NCCCCCCCCC 11a_100000212291_100000212282 [0,2,0,0,0,0|1,0,1]=4 10628 B15R0.2002 CCC=CC(=O)NCCCCCCCCC 1626a_100000212291_100000212282 [0,2,0,0,0,0|1,0,1]=4 10629 B15R0.2002 CCC=CC(=O)NCCCCCCCCC 240690a_100000212291_100000212282 [0,2,0,0,0,0|1,0,1]=4 10630 B15R0.2002 CCC=CC(=O)NCCCCCCCCO 240690a_102515433106_100000212282 [0,2,0,0,0,0|1,0,1]=4 10631 B15R0.2002 CCCC#CCCOCOC(=O)OCCC 34a_100000042726_200000139673 [0,2,0,0,0,0|0,0,2]=4 10632 B15R0.2002 CCCC#CCCOCOC(=O)OCCC 7a_100000042726_200000139673 [0,2,0,0,0,0|0,0,2]=4 10633 B15R0.2002 CCCC/C=C/COCOC(=O)OCCC 34a_200016272032_200000139673 [0,2,0,0,0,0|0,0,2]=4 10634 B15R0.2002 CCCC/C=C/COCOC(=O)OCCC 7a_200016272032_200000139673 [0,2,0,0,0,0|0,0,2]=4 10635 B15R0.2002 CCCC/C=C\CCOCC(=O)NCCC 34a_200016286491_100000183358 [0,2,0,0,0,0|0,0,2]=4 10636 B15R0.2002 CCCC/C=C\CCOCC(=O)NCCC 7a_200016286491_100000183358 [0,2,0,0,0,0|0,0,2]=4 10637 B15R0.2002 CCCC/C=C\CCOCC(=O)OCCC 34a_200016286491_200011215008 [0,2,0,0,0,0|0,0,2]=4 10638 B15R0.2002 CCCC/C=C\CCOCC(=O)OCCC 7a_200016286491_200011215008 [0,2,0,0,0,0|0,0,2]=4 10639 B15R0.2002 CCCCC#CCCOCC(=O)NCCC 34a_100000037610_100000183358 [0,2,0,0,0,0|0,0,2]=4 10640 B15R0.2002 CCCCC#CCCOCC(=O)NCCC 7a_100000037610_100000183358 [0,2,0,0,0,0|0,0,2]=4 10641 B15R0.2002 CCCCC#CCCOCC(=O)OCCC 34a_100000037610_200011215008 [0,2,0,0,0,0|0,0,2]=4 10642 B15R0.2002 CCCCC#CCCOCC(=O)OCCC 7a_100000037610_200011215008 [0,2,0,0,0,0|0,0,2]=4 10643 B15R0.2002 CCCCC#CCOCOC(=O)OCCC 34a_200000034558_200000139673 [0,2,0,0,0,0|0,0,2]=4 10644 B15R0.2002 CCCCC#CCOCOC(=O)OCCC 7a_200000034558_200000139673 [0,2,0,0,0,0|0,0,2]=4 10645 B15R0.2002 CCCCC(=O)CCCCCCCCCF 1458a_200009909015_100000210211 [0,2,0,0,0,0|1,0,0]=3 10646 B15R0.2002 CCCCC(=O)CCCCCCCCCO 1458a_100000210183_100009813782 [0,2,0,0,0,0|1,0,0]=3 10647 B15R0.2002 CCCCC(=O)NCCCCCCCCO 240690a_102515433106_100000210183 [0,2,0,0,0,0|1,0,0]=3 10648 B15R0.2002 CCCCC(=O)NCCOCCOCCC 11a_200011904461_100000210183 [0,2,0,0,0,0|2,0,0]=4 10649 B15R0.2002 CCCCC(=O)NCCOCCOCCC 1626a_200011904461_100000210183 [0,2,0,0,0,0|2,0,0]=4 10650 B15R0.2002 CCCCC(=O)NCCOCCOCCC 240690a_200011904461_100000210183 [0,2,0,0,0,0|2,0,0]=4 10651 B15R0.2002 CCCCC(C)OCCCCCCCCBr 34a_100009813846_200011215066 [0,2,0,0,0,0|1,0,1]=4 10652 B15R0.2002 CCCCC(C)OCCCCCCCCBr 7a_100009813846_200011215066 [0,2,0,0,0,0|1,0,1]=4 10653 B15R0.2002 CCCCC(C)OCCCCCCCCCl 34a_100000033203_200011215066 [0,2,0,0,0,0|1,0,1]=4 10654 B15R0.2002 CCCCC(C)OCCCCCCCCCl 7a_100000033203_200011215066 [0,2,0,0,0,0|1,0,1]=4 10655 B15R0.2002 CCCCC(C)OCCCCCCCCN 34a_102515433106_200011215066 [0,2,0,0,0,0|1,0,1]=4 10656 B15R0.2002 CCCCC(C)OCCCCCCCCO 34a_100000687866_100000033203 [0,2,0,0,0,0|1,0,1]=4 10657 B15R0.2002 CCCCC(C)OCCCCCCCCO 7a_100000687866_100000033203 [0,2,0,0,0,0|1,0,1]=4 10658 B15R0.2002 CCCCC/C=C/COCC(=O)NCCC 34a_100016258190_100000183358 [0,2,0,0,0,0|0,0,2]=4 10659 B15R0.2002 CCCCC/C=C/COCC(=O)NCCC 7a_100016258190_100000183358 [0,2,0,0,0,0|0,0,2]=4 10660 B15R0.2002 CCCCC/C=C/COCC(=O)OCCC 34a_100016258190_200011215008 [0,2,0,0,0,0|0,0,2]=4 10661 B15R0.2002 CCCCC/C=C/COCC(=O)OCCC 7a_100016258190_200011215008 [0,2,0,0,0,0|0,0,2]=4 10662 B15R0.2002 CCCCCC#CCOCC(=O)NCCC 34a_200000033628_100000183358 [0,2,0,0,0,0|0,0,2]=4 10663 B15R0.2002 CCCCCC#CCOCC(=O)NCCC 7a_200000033628_100000183358 [0,2,0,0,0,0|0,0,2]=4 10664 B15R0.2002 CCCCCC#CCOCC(=O)OCCC 34a_200000033628_200011215008 [0,2,0,0,0,0|0,0,2]=4 10665 B15R0.2002 CCCCCC#CCOCC(=O)OCCC 7a_200000033628_200011215008 [0,2,0,0,0,0|0,0,2]=4 10666 B15R0.2002 CCCCCCCC=NNC(=O)CCCC 4a_100000189769_100000210592 [0,2,0,0,0,0|1,0,1]=4 10667 B15R0.2002 CCCCCCCC=NNC(=O)CCOC 4a_100011260505_100000210592 [0,2,0,0,0,0|1,0,1]=4 10668 B15R0.2002 CCCCCCCC=NNC(=O)COCC 4a_100000216846_100000210592 [0,2,0,0,0,0|1,0,1]=4 10669 B15R0.2002 CCCCCCCCC=CC(=O)CCC#N 1458a_100015345288_100011215226 [0,2,0,0,0,0|1,0,1]=4 10670 B15R0.2002 CCCCCCCCC=CC(=O)CCCC 1458a_100015345288_100000210211 [0,2,0,0,0,0|1,0,0]=3 10671 B15R0.2002 CCCCCCCCC=CC(=O)CCCF 1458a_100015345288_100011934791 [0,2,0,0,0,0|1,0,0]=3 10672 B15R0.2002 CCCCCCCCC=CC(=O)CCCO 1458a_100015345288_100011215043 [0,2,0,0,0,0|1,0,0]=3 10673 B15R0.2002 CCCCCCCCC=CC(=O)CCOC 1458a_100015345288_100000233755 [0,2,0,0,0,0|1,0,0]=3 10674 B15R0.2002 CCCCCCCCC=CC(=O)CCSC 1458a_100015345288_100000751147 [0,2,0,0,0,0|1,0,0]=3 10675 B15R0.2002 CCCCCCCCC=CC(=O)NCCC 11a_100020643023_100015345288 [0,2,0,0,0,0|1,0,0]=3 10676 B15R0.2002 CCCCCCCCC=CC(=O)NCCC 1626a_100020643023_100015345288 [0,2,0,0,0,0|1,0,0]=3 10677 B15R0.2002 CCCCCCCCC=CC(=O)NCCC 240690a_100020643023_100015345288 [0,2,0,0,0,0|1,0,0]=3 10678 B15R0.2002 CCCCCCCCC=CC(=O)NCCF 11a_100000724931_100015345288 [0,2,0,0,0,0|2,0,0]=4 10679 B15R0.2002 CCCCCCCCC=CC(=O)NCCF 1626a_100000724931_100015345288 [0,2,0,0,0,0|2,0,0]=4 10680 B15R0.2002 CCCCCCCCC=CC(=O)NCCF 240690a_100000724931_100015345288 [0,2,0,0,0,0|2,0,0]=4 10681 B15R0.2002 CCCCCCCCC=CC(=O)NCCO 240690a_100000210304_100015345288 [0,2,0,0,0,0|2,0,0]=4 10682 B15R0.2002 CCCCCCCCC=CC(=O)NNCC 22a_100000756455_100015345288 [0,2,0,0,0,0|2,0,0]=4 10683 B15R0.2002 CCCCCCCCCCC(=O)CCC#N 1458a_100000210375_100011215226 [0,2,0,0,0,0|1,0,1]=4 10684 B15R0.2002 CCCCCCCCCCC(=O)CCC#N 1458a_100011934036_100000210319 [0,2,0,0,0,0|1,0,1]=4 10685 B15R0.2002 CCCCCCCCCCC(=O)CCCC 1458a_100000210183_100000210319 [0,2,0,0,0,0|1,0,0]=3 10686 B15R0.2002 CCCCCCCCCCC(=O)CCCC 1458a_100000210375_100000210211 [0,2,0,0,0,0|1,0,0]=3 10687 B15R0.2002 CCCCCCCCCCC(=O)CCCF 1458a_100000210375_100011934791 [0,2,0,0,0,0|1,0,0]=3 10688 B15R0.2002 CCCCCCCCCCC(=O)CCCO 1458a_100000210375_100011215043 [0,2,0,0,0,0|1,0,0]=3 10689 B15R0.2002 CCCCCCCCCCC(=O)CCOC 1458a_100000210375_100000233755 [0,2,0,0,0,0|1,0,0]=3 10690 B15R0.2002 CCCCCCCCCCC(=O)CCOC 1458a_100000749529_100000210319 [0,2,0,0,0,0|1,0,0]=3 10691 B15R0.2002 CCCCCCCCCCC(=O)CCSC 1458a_100000174002_100000210319 [0,2,0,0,0,0|1,0,0]=3 10692 B15R0.2002 CCCCCCCCCCC(=O)CCSC 1458a_100000210375_100000751147 [0,2,0,0,0,0|1,0,0]=3 10693 B15R0.2002 CCCCCCCCCCC(=O)COCC 1458a_100000211967_100000210319 [0,2,0,0,0,0|1,0,0]=3 10694 B15R0.2002 CCCCCCCCCCC(=O)CSCC 1458a_100000230394_100000210319 [0,2,0,0,0,0|1,0,0]=3 10695 B15R0.2002 CCCCCCCCCCC(=O)NCCC 11a_100020643023_100000210375 [0,2,0,0,0,0|1,0,0]=3 10696 B15R0.2002 CCCCCCCCCCC(=O)NCCC 1626a_100020643023_100000210375 [0,2,0,0,0,0|1,0,0]=3 10697 B15R0.2002 CCCCCCCCCCC(=O)NCCC 240690a_100020643023_100000210375 [0,2,0,0,0,0|1,0,0]=3 10698 B15R0.2002 CCCCCCCCCCC(=O)NCCF 11a_100000724931_100000210375 [0,2,0,0,0,0|2,0,0]=4 10699 B15R0.2002 CCCCCCCCCCC(=O)NCCF 1626a_100000724931_100000210375 [0,2,0,0,0,0|2,0,0]=4 10700 B15R0.2002 CCCCCCCCCCC(=O)NCCF 240690a_100000724931_100000210375 [0,2,0,0,0,0|2,0,0]=4 10701 B15R0.2002 CCCCCCCCCCC(=O)NCCO 240690a_100000210304_100000210375 [0,2,0,0,0,0|2,0,0]=4 10702 B15R0.2002 CCCCCCCCCCC(=O)NNCC 22a_100000756455_100000210375 [0,2,0,0,0,0|2,0,0]=4 10703 B15R0.2002 CCCCCCCCCNC(=O)CCC#N 11a_100000212291_100011934036 [0,2,0,0,0,0|1,0,1]=4 10704 B15R0.2002 CCCCCCCCCNC(=O)CCC#N 1626a_100000212291_100011934036 [0,2,0,0,0,0|1,0,1]=4 10705 B15R0.2002 CCCCCCCCCNC(=O)CCC#N 240690a_100000212291_100011934036 [0,2,0,0,0,0|1,0,1]=4 10706 B15R0.2002 CCCCCCCCCNC(=O)CCC#N 527a_100000212291_100011934036 [0,2,0,0,0,0|1,0,1]=4 10707 B15R0.2002 CCCCCCCCCNC(=O)CCCC 11a_100000212291_100000210183 [0,2,0,0,0,0|1,0,0]=3 10708 B15R0.2002 CCCCCCCCCNC(=O)CCCC 1626a_100000212291_100000210183 [0,2,0,0,0,0|1,0,0]=3 10709 B15R0.2002 CCCCCCCCCNC(=O)CCCC 240690a_100000212291_100000210183 [0,2,0,0,0,0|1,0,0]=3 10710 B15R0.2002 CCCCCCCCCNC(=O)CCCC 527a_100000212291_100000210183 [0,2,0,0,0,0|1,0,0]=3 10711 B15R0.2002 CCCCCCCCCNC(=O)CCOC 11a_100000212291_100000749529 [0,2,0,0,0,0|1,0,0]=3 10712 B15R0.2002 CCCCCCCCCNC(=O)CCOC 1626a_100000212291_100000749529 [0,2,0,0,0,0|1,0,0]=3 10713 B15R0.2002 CCCCCCCCCNC(=O)CCOC 240690a_100000212291_100000749529 [0,2,0,0,0,0|1,0,0]=3 10714 B15R0.2002 CCCCCCCCCNC(=O)CCOC 527a_100000212291_100000749529 [0,2,0,0,0,0|1,0,0]=3 10715 B15R0.2002 CCCCCCCCCNC(=O)CCSC 11a_100000212291_100000174002 [0,2,0,0,0,0|1,0,0]=3 10716 B15R0.2002 CCCCCCCCCNC(=O)CCSC 1626a_100000212291_100000174002 [0,2,0,0,0,0|1,0,0]=3 10717 B15R0.2002 CCCCCCCCCNC(=O)CCSC 240690a_100000212291_100000174002 [0,2,0,0,0,0|1,0,0]=3 10718 B15R0.2002 CCCCCCCCCNC(=O)CCSC 527a_100000212291_100000174002 [0,2,0,0,0,0|1,0,0]=3 10719 B15R0.2002 CCCCCCCCCNC(=O)COCC 11a_100000212291_100000211967 [0,2,0,0,0,0|1,0,0]=3 10720 B15R0.2002 CCCCCCCCCNC(=O)COCC 1626a_100000212291_100000211967 [0,2,0,0,0,0|1,0,0]=3 10721 B15R0.2002 CCCCCCCCCNC(=O)COCC 240690a_100000212291_100000211967 [0,2,0,0,0,0|1,0,0]=3 10722 B15R0.2002 CCCCCCCCCNC(=O)COCC 527a_100000212291_100000211967 [0,2,0,0,0,0|1,0,0]=3 10723 B15R0.2002 CCCCCCCCCNC(=O)CSCC 11a_100000212291_100000230394 [0,2,0,0,0,0|1,0,0]=3 10724 B15R0.2002 CCCCCCCCCNC(=O)CSCC 1626a_100000212291_100000230394 [0,2,0,0,0,0|1,0,0]=3 10725 B15R0.2002 CCCCCCCCCNC(=O)CSCC 240690a_100000212291_100000230394 [0,2,0,0,0,0|1,0,0]=3 10726 B15R0.2002 CCCCCCCCCNC(=O)CSCC 527a_100000212291_100000230394 [0,2,0,0,0,0|1,0,0]=3 10727 B15R0.2002 CCCCCCCCCNC(=O)NCCC 2708a_100000212291_100020643023 [0,2,0,0,0,0|1,0,0]=3 10728 B15R0.2002 CCCCCCCCCNC(=O)NCCC 2708a_100020643023_100000212291 [0,2,0,0,0,0|1,0,0]=3 10729 B15R0.2002 CCCCCCCCCNC(=O)NCCC 273464a_100000212291_100020643023 [0,2,0,0,0,0|1,0,0]=3 10730 B15R0.2002 CCCCCCCCCNC(=O)NCCC 273464a_100020643023_100000212291 [0,2,0,0,0,0|1,0,0]=3 10731 B15R0.2002 CCCCCCCCCNC(=O)NCCC 512a_100000212291_100020643023 [0,2,0,0,0,0|1,0,0]=3 10732 B15R0.2002 CCCCCCCCCNC(=O)NCCC 512a_100020643023_100000212291 [0,2,0,0,0,0|1,0,0]=3 10733 B15R0.2002 CCCCCCCCCNC(=O)NCCF 2708a_100000212291_100000724931 [0,2,0,0,0,0|2,0,0]=4 10734 B15R0.2002 CCCCCCCCCNC(=O)NCCF 273464a_100000212291_100000724931 [0,2,0,0,0,0|2,0,0]=4 10735 B15R0.2002 CCCCCCCCCNC(=O)NCCF 273464a_100000724931_100000212291 [0,2,0,0,0,0|2,0,0]=4 10736 B15R0.2002 CCCCCCCCCNC(=O)NCCF 512a_100000212291_100000724931 [0,2,0,0,0,0|2,0,0]=4 10737 B15R0.2002 CCCCCCCCCNC(=O)NCCO 2708a_100000212291_100000210304 [0,2,0,0,0,0|2,0,0]=4 10738 B15R0.2002 CCCCCCCCCNC(=O)NCCO 273464a_100000210304_100000212291 [0,2,0,0,0,0|2,0,0]=4 10739 B15R0.2002 CCCCCCCCCNC(=O)NCCO 273464a_100000212291_100000210304 [0,2,0,0,0,0|2,0,0]=4 10740 B15R0.2002 CCCCCCCCCNC(=O)NCCO 512a_100000212291_100000210304 [0,2,0,0,0,0|2,0,0]=4 10741 B15R0.2002 CCCCCCCCCNC(=O)NNCC 273464a_100000212291_100000756455 [0,2,0,0,0,0|2,0,0]=4 10742 B15R0.2002 CCCCCCCCCNC(=O)NNCC 512a_100000212291_100000756455 [0,2,0,0,0,0|2,0,0]=4 10743 B15R0.2002 CCCCCCCCCNC(=O)NNCC 512a_100000756455_100000212291 [0,2,0,0,0,0|2,0,0]=4 10744 B15R0.2002 CCCCCCCCCOC(C)CCCC 34a_100000210712_200011215066 [0,2,0,0,0,0|1,0,1]=4 10745 B15R0.2002 CCCCCCCCCOC(C)CCCC 34a_100000687866_100011214924 [0,2,0,0,0,0|1,0,1]=4 10746 B15R0.2002 CCCCCCCCCOC(C)CCCC 7a_100000210712_200011215066 [0,2,0,0,0,0|1,0,1]=4 10747 B15R0.2002 CCCCCCCCCOC(C)CCCC 7a_100000687866_100000210328 [0,2,0,0,0,0|1,0,1]=4 10748 B15R0.2002 CCCCCCCCCOC(C)CCCCl 34a_200000718107_100011214924 [0,2,0,0,0,0|1,0,1]=4 10749 B15R0.2002 CCCCCCCCCOC(C)CCCCl 7a_200000718107_100000210328 [0,2,0,0,0,0|1,0,1]=4 10750 B15R0.2002 CCCCCCCCCOC(C)COCC 34a_100000718985_100011214924 [0,2,0,0,0,0|1,0,1]=4 10751 B15R0.2002 CCCCCCCCCOC(C)COCC 7a_100000718985_100000210328 [0,2,0,0,0,0|1,0,1]=4 10752 B15R0.2002 CCCCCCCCNCC(=O)NCCC 2230a_100000174927_100000210759 [0,2,0,0,0,0|1,0,0]=3 10753 B15R0.2002 CCCCCCCCNCC(=O)NCCC 2230a_100000229939_100000183358 [0,2,0,0,0,0|1,0,0]=3 10754 B15R0.2002 CCCCCCCCNCC(=O)NCCC 34a_100000229939_100000183358 [0,2,0,0,0,0|1,0,0]=3 10755 B15R0.2002 CCCCCCCCNCC(=O)NCCF 2230a_100000725713_100000210759 [0,2,0,0,0,0|2,0,0]=4 10756 B15R0.2002 CCCCCCCCNCC(=O)OCCC 2230a_100000229939_200011215008 [0,2,0,0,0,0|1,0,0]=3 10757 B15R0.2002 CCCCCCCCNCC(=O)OCCC 34a_100000229939_200011215008 [0,2,0,0,0,0|1,0,0]=3 10758 B15R0.2002 CCCCCCCCOCC(=O)CCC#N 1458a_100000759886_100011215226 [0,2,0,0,0,0|0,0,1]=3 10759 B15R0.2002 CCCCCCCCOCC(=O)CCCC 1458a_100000759886_100000210211 [0,2,0,0,0,0|0,0,0]=2 10760 B15R0.2002 CCCCCCCCOCC(=O)CCCF 1458a_100000759886_100011934791 [0,2,0,0,0,0|0,0,0]=2 10761 B15R0.2002 CCCCCCCCOCC(=O)CCCO 1458a_100000759886_100011215043 [0,2,0,0,0,0|0,0,0]=2 10762 B15R0.2002 CCCCCCCCOCC(=O)CCOC 1458a_100000759886_100000233755 [0,2,0,0,0,0|0,0,0]=2 10763 B15R0.2002 CCCCCCCCOCC(=O)CCSC 1458a_100000759886_100000751147 [0,2,0,0,0,0|0,0,0]=2 10764 B15R0.2002 CCCCCCCCOCC(=O)NCC#N 1626a_100000734998_100000759886 [0,2,0,0,0,0|1,0,1]=4 10765 B15R0.2002 CCCCCCCCOCC(=O)NCC#N 527a_100000734998_100000759886 [0,2,0,0,0,0|1,0,1]=4 10766 B15R0.2002 CCCCCCCCOCC(=O)NCC#N 7a_100000210232_100000736037 [0,2,0,0,0,0|1,0,1]=4 10767 B15R0.2002 CCCCCCCCOCC(=O)NCCC 11a_100020643023_100000759886 [0,2,0,0,0,0|0,0,0]=2 10768 B15R0.2002 CCCCCCCCOCC(=O)NCCC 1626a_100020643023_100000759886 [0,2,0,0,0,0|0,0,0]=2 10769 B15R0.2002 CCCCCCCCOCC(=O)NCCC 240690a_100020643023_100000759886 [0,2,0,0,0,0|0,0,0]=2 10770 B15R0.2002 CCCCCCCCOCC(=O)NCCC 34a_100000210232_100000183358 [0,2,0,0,0,0|0,0,0]=2 10771 B15R0.2002 CCCCCCCCOCC(=O)NCCC 527a_100020643023_100000759886 [0,2,0,0,0,0|0,0,0]=2 10772 B15R0.2002 CCCCCCCCOCC(=O)NCCC 7a_100000210232_100000183358 [0,2,0,0,0,0|0,0,0]=2 10773 B15R0.2002 CCCCCCCCOCC(=O)NCCF 11a_100000724931_100000759886 [0,2,0,0,0,0|1,0,0]=3 10774 B15R0.2002 CCCCCCCCOCC(=O)NCCF 1626a_100000724931_100000759886 [0,2,0,0,0,0|1,0,0]=3 10775 B15R0.2002 CCCCCCCCOCC(=O)NCCF 240690a_100000724931_100000759886 [0,2,0,0,0,0|1,0,0]=3 10776 B15R0.2002 CCCCCCCCOCC(=O)NCCF 527a_100000724931_100000759886 [0,2,0,0,0,0|1,0,0]=3 10777 B15R0.2002 CCCCCCCCOCC(=O)NCCO 240690a_100000210304_100000759886 [0,2,0,0,0,0|1,0,0]=3 10778 B15R0.2002 CCCCCCCCOCC(=O)NCCO 527a_100000210304_100000759886 [0,2,0,0,0,0|1,0,0]=3 10779 B15R0.2002 CCCCCCCCOCC(=O)NNCC 22a_100000756455_100000759886 [0,2,0,0,0,0|1,0,0]=3 10780 B15R0.2002 CCCCCCCCOCC(=O)OCCC 34a_100000210232_200011215008 [0,2,0,0,0,0|0,0,0]=2 10781 B15R0.2002 CCCCCCCCOCC(=O)OCCC 7a_100000210232_200011215008 [0,2,0,0,0,0|0,0,0]=2 10782 B15R0.2002 CCCCCCCCOCC(C)CCCC 34a_100011995851_100000210759 [0,2,0,0,0,0|1,0,1]=4 10783 B15R0.2002 CCCCCCCCOCC(C)CCCC 7a_100011995851_100000210759 [0,2,0,0,0,0|1,0,1]=4 10784 B15R0.2002 CCCCCCCCOC[C@@H](N)CCCC 34a_100011934283_100000210759 [0,2,0,0,0,0|1,0,1]=4 10785 B15R0.2002 CCCCCCCCOC[C@@H](N)CCSC 34a_100011827619_100000210759 [0,2,0,0,0,0|1,0,1]=4 10786 B15R0.2002 CCCCCCCCSCC(=O)NCCC 62a_100000183358_100000210317 [0,2,0,0,0,0|0,1,0]=3 10787 B15R0.2002 CCCCCCCCSCC(=O)NCCC 62a_100000210759_100000183358 [0,2,0,0,0,0|0,1,0]=3 10788 B15R0.2002 CCCCCCCCSCC(=O)OCCC 62a_100000210759_200011215008 [0,2,0,0,0,0|0,1,0]=3 10789 B15R0.2002 CCCCCCCCSCC(=O)OCCC 62a_200011215008_100000210317 [0,2,0,0,0,0|0,1,0]=3 10790 B15R0.2002 CCCCCCCOCOC(=O)OCCC 34a_100000210272_200000139673 [0,2,0,0,0,0|0,0,0]=2 10791 B15R0.2002 CCCCCCCOCOC(=O)OCCC 7a_100000210272_200000139673 [0,2,0,0,0,0|0,0,0]=2 10792 B15R0.2002 CCCCCCCSCOC(=O)OCCC 62a_100000210614_200000139673 [0,2,0,0,0,0|0,0,0]=2 10793 B15R0.2002 CCCCCCNCCCC(=O)NCCC 2230a_100000210581_100011194427 [0,2,0,0,0,0|1,0,0]=3 10794 B15R0.2002 CCCCCCOCCCC(=O)NCCC 7a_100000210259_100011194427 [0,2,0,0,0,0|1,0,0]=3 10795 B15R0.2002 CCCCCCOCCOC(C)CCCC 34a_100000691444_200011215066 [0,2,0,0,0,0|1,0,1]=4 10796 B15R0.2002 CCCCCCOCCOC(C)CCCC 7a_100000691444_200011215066 [0,2,0,0,0,0|1,0,1]=4 10797 B15R0.2002 CCCCCCSCCCC(=O)NCCC 62a_100000210314_100011194427 [0,2,0,0,0,0|1,0,0]=3 10798 B15R0.2002 CCCCCCSCCCC(=O)NCCC 62a_100011194427_100000210757 [0,2,0,0,0,0|1,0,0]=3 10799 B15R0.2002 CCCCCNCCOCC(=O)NCCC 34a_100000224656_100000183358 [0,2,0,0,0,0|1,0,0]=3 10800 B15R0.2002 CCCCCNCCOCC(=O)OCCC 34a_100000224656_200011215008 [0,2,0,0,0,0|1,0,0]=3 10801 B15R0.2002 CCCCCOCCOCC(=O)NCCC 34a_100011215259_100000183358 [0,2,0,0,0,0|1,0,0]=3 10802 B15R0.2002 CCCCCOCCOCC(=O)NCCC 7a_100011215259_100000183358 [0,2,0,0,0,0|1,0,0]=3 10803 B15R0.2002 CCCCCOCCOCC(=O)OCCC 34a_100011215259_200011215008 [0,2,0,0,0,0|1,0,0]=3 10804 B15R0.2002 CCCCCOCCOCC(=O)OCCC 7a_100011215259_200011215008 [0,2,0,0,0,0|1,0,0]=3 10805 B15R0.2002 CCCCNCCCCOC(C)CCCC 34a_200011216965_200011215066 [0,2,0,0,0,0|1,0,1]=4 10806 B15R0.2002 CCCCOCCCCOC(C)CCCC 34a_200000760531_200011215066 [0,2,0,0,0,0|1,0,1]=4 10807 B15R0.2002 CCCCOCCCCOC(C)CCCC 7a_200000760531_200011215066 [0,2,0,0,0,0|1,0,1]=4 10808 B15R0.2002 CCCCOCCCNCC(=O)NCCC 2230a_200000211371_100000183358 [0,2,0,0,0,0|2,0,0]=4 10809 B15R0.2002 CCCCOCCCNCC(=O)NCCC 34a_200000211371_100000183358 [0,2,0,0,0,0|2,0,0]=4 10810 B15R0.2002 CCCCOCCCNCC(=O)OCCC 2230a_200000211371_200011215008 [0,2,0,0,0,0|2,0,0]=4 10811 B15R0.2002 CCCCOCCCNCC(=O)OCCC 34a_200000211371_200011215008 [0,2,0,0,0,0|2,0,0]=4 10812 B15R0.2002 CCCCOCCCOCC(=O)NCCC 34a_200011215613_100000183358 [0,2,0,0,0,0|1,0,0]=3 10813 B15R0.2002 CCCCOCCCOCC(=O)NCCC 7a_200011215613_100000183358 [0,2,0,0,0,0|1,0,0]=3 10814 B15R0.2002 CCCCOCCCOCC(=O)OCCC 34a_200011215613_200011215008 [0,2,0,0,0,0|1,0,0]=3 10815 B15R0.2002 CCCCOCCCOCC(=O)OCCC 7a_200011215613_200011215008 [0,2,0,0,0,0|1,0,0]=3 10816 B15R0.2002 CCCCOCCOCOC(=O)OCCC 34a_100000210238_200000139673 [0,2,0,0,0,0|1,0,0]=3 10817 B15R0.2002 CCCCOCCOCOC(=O)OCCC 7a_100000210238_200000139673 [0,2,0,0,0,0|1,0,0]=3 10818 B15R0.2002 CCCCOCCSCOC(=O)OCCC 62a_100000743108_200000139673 [0,2,0,0,0,0|1,0,0]=3 10819 B15R0.2002 CCCCOCSCCCC(=O)NCCC 62a_100011194427_100011995733 [0,2,0,0,0,0|2,0,0]=4 10820 B15R0.2002 CCCCOCSCCCC(=O)NCCC 62a_100011995733_100011194427 [0,2,0,0,0,0|2,0,0]=4 10821 B15R0.2002 CCCCSCCOCOC(=O)OCCC 34a_200000230436_200000139673 [0,2,0,0,0,0|1,0,0]=3 10822 B15R0.2002 CCCCSCCOCOC(=O)OCCC 7a_200000230436_200000139673 [0,2,0,0,0,0|1,0,0]=3 10823 B15R0.2002 CCCNC(=O)C=CCCCCCCCO 1626a_100020643023_100016988705 [0,2,0,0,0,0|1,0,1]=4 10824 B15R0.2002 CCCNC(=O)C=CCCCCCCCO 240690a_100020643023_100016988705 [0,2,0,0,0,0|1,0,1]=4 10825 B15R0.2002 CCCNC(=O)CCCCCCCCCF 11a_100020643023_200009909015 [0,2,0,0,0,0|1,0,0]=3 10826 B15R0.2002 CCCNC(=O)CCCCCCCCCF 240690a_100020643023_200009909015 [0,2,0,0,0,0|1,0,0]=3 10827 B15R0.2002 CCCNC(=O)CCCCCCCCCF 527a_100020643023_200009909015 [0,2,0,0,0,0|1,0,0]=3 10828 B15R0.2002 CCCNC(=O)CCCCCCCCCO 240690a_100020643023_100000032657 [0,2,0,0,0,0|1,0,0]=3 10829 B15R0.2002 CCCNC(=O)CCCNCCCCCO 2230a_100000762737_100011194427 [0,2,0,0,0,0|2,0,0]=4 10830 B15R0.2002 CCCNC(=O)CCCNCCCOCC 2230a_100000210961_100011194427 [0,2,0,0,0,0|2,0,0]=4 10831 B15R0.2002 CCCNC(=O)CCCNCCOCCC 2230a_100161115042_100011194427 [0,2,0,0,0,0|2,0,0]=4 10832 B15R0.2002 CCCNC(=O)CCCNCCSCCC 2230a_100020603323_100011194427 [0,2,0,0,0,0|2,0,0]=4 10833 B15R0.2002 CCCNC(=O)CCCOCCCCCBr 7a_100000746331_100011194427 [0,2,0,0,0,0|2,0,0]=4 10834 B15R0.2002 CCCNC(=O)CCCOCCCCCCl 7a_100000746330_100011194427 [0,2,0,0,0,0|2,0,0]=4 10835 B15R0.2002 CCCNC(=O)CCCOCCCCCI 7a_200012148887_100011194427 [0,2,0,0,0,0|2,0,0]=4 10836 B15R0.2002 CCCNC(=O)CCCOCCCCSC 7a_100011217163_100011194427 [0,2,0,0,0,0|2,0,0]=4 10837 B15R0.2002 CCCNC(=O)CCCOCCCOCC 7a_100000757476_100011194427 [0,2,0,0,0,0|2,0,0]=4 10838 B15R0.2002 CCCNC(=O)CCCOCCCSCC 7a_100011216438_100011194427 [0,2,0,0,0,0|2,0,0]=4 10839 B15R0.2002 CCCNC(=O)CCCOCCOCCC 7a_100000752267_100011194427 [0,2,0,0,0,0|2,0,0]=4 10840 B15R0.2002 CCCNC(=O)CCCOCCSCCC 7a_200000230433_100011194427 [0,2,0,0,0,0|2,0,0]=4 10841 B15R0.2002 CCCNC(=O)CCCSCCCCCF 62a_100000729378_100011194427 [0,2,0,0,0,0|2,0,0]=4 10842 B15R0.2002 CCCNC(=O)CCCSCCCCCF 62a_100011194427_100000729378 [0,2,0,0,0,0|2,0,0]=4 10843 B15R0.2002 CCCNC(=O)CCCSCCCCCO 62a_100000746330_100011194427 [0,2,0,0,0,0|2,0,0]=4 10844 B15R0.2002 CCCNC(=O)CCCSCCCCCO 62a_100011194427_100000746330 [0,2,0,0,0,0|2,0,0]=4 10845 B15R0.2002 CCCNC(=O)CCCSCCCCOC 62a_100000730899_100011194427 [0,2,0,0,0,0|2,0,0]=4 10846 B15R0.2002 CCCNC(=O)CCCSCCCCOC 62a_100011194427_100000730899 [0,2,0,0,0,0|2,0,0]=4 10847 B15R0.2002 CCCNC(=O)CCCSCCCOCC 62a_100011194427_100012232248 [0,2,0,0,0,0|2,0,0]=4 10848 B15R0.2002 CCCNC(=O)CCCSCCCOCC 62a_100012232248_100011194427 [0,2,0,0,0,0|2,0,0]=4 10849 B15R0.2002 CCCNC(=O)CCCSCCOCCC 62a_100011194427_100011215938 [0,2,0,0,0,0|2,0,0]=4 10850 B15R0.2002 CCCNC(=O)CCCSCCOCCC 62a_100011215938_100011194427 [0,2,0,0,0,0|2,0,0]=4 10851 B15R0.2002 CCCNC(=O)CNCCCCCCCO 2230a_100000174927_100000760002 [0,2,0,0,0,0|2,0,0]=4 10852 B15R0.2002 CCCNC(=O)CNCCCCCCCO 2230a_100011996573_100000183358 [0,2,0,0,0,0|2,0,0]=4 10853 B15R0.2002 CCCNC(=O)CNCCCCCCCO 34a_100011996573_100000183358 [0,2,0,0,0,0|2,0,0]=4 10854 B15R0.2002 CCCNC(=O)CNCCCCCCOC 2230a_100000174927_100011998445 [0,2,0,0,0,0|2,0,0]=4 10855 B15R0.2002 CCCNC(=O)COCCCCCCCBr 34a_100000760002_100000183358 [0,2,0,0,0,0|1,0,0]=3 10856 B15R0.2002 CCCNC(=O)COCCCCCCCBr 7a_100000760002_100000183358 [0,2,0,0,0,0|1,0,0]=3 10857 B15R0.2002 CCCNC(=O)COCCCCCCCN 34a_100011996573_100000183358 [0,2,0,0,0,0|1,0,0]=3 10858 B15R0.2002 CCCNC(=O)COCCCCCCOC 34a_200012092642_100000183358 [0,2,0,0,0,0|1,0,0]=3 10859 B15R0.2002 CCCNC(=O)COCCCCCCOC 7a_200012092642_100000183358 [0,2,0,0,0,0|1,0,0]=3 10860 B15R0.2002 CCCNC(=O)COCCCOCCCN 34a_100011310245_100000183358 [0,2,0,0,0,0|2,0,0]=4 10861 B15R0.2002 CCCNC(=O)COCCOCCOCC 34a_100000210240_100000183358 [0,2,0,0,0,0|2,0,0]=4 10862 B15R0.2002 CCCNC(=O)COCCOCCOCC 7a_100000210240_100000183358 [0,2,0,0,0,0|2,0,0]=4 10863 B15R0.2002 CCCNC(=O)CSCCCCCCCO 62a_100000183358_100000760002 [0,2,0,0,0,0|1,1,0]=4 10864 B15R0.2002 CCCNC(=O)CSCCCCCCCO 62a_100000760002_100000183358 [0,2,0,0,0,0|1,1,0]=4 10865 B15R0.2002 CCCNC(=O)CSCCCCCCOC 62a_100000183358_100011998445 [0,2,0,0,0,0|1,1,0]=4 10866 B15R0.2002 CCCNC(=O)CSCCCCCCOC 62a_100011998445_100000183358 [0,2,0,0,0,0|1,1,0]=4 10867 B15R0.2002 CCCNC(=O)NCCCCCCCCO 2708a_100020643023_102515433106 [0,2,0,0,0,0|1,0,0]=3 10868 B15R0.2002 CCCNC(=O)NCCCCCCCCO 2708a_102515433106_100020643023 [0,2,0,0,0,0|1,0,0]=3 10869 B15R0.2002 CCCNC(=O)NCCCCCCCCO 273464a_100020643023_102515433106 [0,2,0,0,0,0|1,0,0]=3 10870 B15R0.2002 CCCNC(=O)NCCCCCCCCO 273464a_102515433106_100020643023 [0,2,0,0,0,0|1,0,0]=3 10871 B15R0.2002 CCCNC(=O)NCCCCCCCCO 512a_100020643023_102515433106 [0,2,0,0,0,0|1,0,0]=3 10872 B15R0.2002 CCCNC(=O)NCCCCCCCCO 512a_102515433106_100020643023 [0,2,0,0,0,0|1,0,0]=3 10873 B15R0.2002 CCCNC(=O)NCCOCCOCCC 2708a_100020643023_200011904461 [0,2,0,0,0,0|2,0,0]=4 10874 B15R0.2002 CCCNC(=O)NCCOCCOCCC 2708a_200011904461_100020643023 [0,2,0,0,0,0|2,0,0]=4 10875 B15R0.2002 CCCNC(=O)NCCOCCOCCC 273464a_100020643023_200011904461 [0,2,0,0,0,0|2,0,0]=4 10876 B15R0.2002 CCCNC(=O)NCCOCCOCCC 273464a_200011904461_100020643023 [0,2,0,0,0,0|2,0,0]=4 10877 B15R0.2002 CCCNC(=O)NCCOCCOCCC 512a_200011904461_100020643023 [0,2,0,0,0,0|2,0,0]=4 10878 B15R0.2002 CCCOC(=O)CNCCCCCCCO 2230a_100011996573_200011215008 [0,2,0,0,0,0|2,0,0]=4 10879 B15R0.2002 CCCOC(=O)CNCCCCCCCO 34a_100011996573_200011215008 [0,2,0,0,0,0|2,0,0]=4 10880 B15R0.2002 CCCOC(=O)COCCCCCCCBr 34a_100000760002_200011215008 [0,2,0,0,0,0|1,0,0]=3 10881 B15R0.2002 CCCOC(=O)COCCCCCCCBr 7a_100000760002_200011215008 [0,2,0,0,0,0|1,0,0]=3 10882 B15R0.2002 CCCOC(=O)COCCCCCCCN 34a_100011996573_200011215008 [0,2,0,0,0,0|1,0,0]=3 10883 B15R0.2002 CCCOC(=O)COCCCCCCOC 34a_200012092642_200011215008 [0,2,0,0,0,0|1,0,0]=3 10884 B15R0.2002 CCCOC(=O)COCCCCCCOC 7a_200012092642_200011215008 [0,2,0,0,0,0|1,0,0]=3 10885 B15R0.2002 CCCOC(=O)COCCCOCCCN 34a_100011310245_200011215008 [0,2,0,0,0,0|2,0,0]=4 10886 B15R0.2002 CCCOC(=O)COCCOCCOCC 34a_100000210240_200011215008 [0,2,0,0,0,0|2,0,0]=4 10887 B15R0.2002 CCCOC(=O)COCCOCCOCC 7a_100000210240_200011215008 [0,2,0,0,0,0|2,0,0]=4 10888 B15R0.2002 CCCOC(=O)CSCCCCCCCO 62a_100000760002_200011215008 [0,2,0,0,0,0|1,1,0]=4 10889 B15R0.2002 CCCOC(=O)CSCCCCCCCO 62a_200011215008_100000760002 [0,2,0,0,0,0|1,1,0]=4 10890 B15R0.2002 CCCOC(=O)CSCCCCCCOC 62a_100011998445_200011215008 [0,2,0,0,0,0|1,1,0]=4 10891 B15R0.2002 CCCOC(=O)CSCCCCCCOC 62a_200011215008_100011998445 [0,2,0,0,0,0|1,1,0]=4 10892 B15R0.2002 CCCOC(=O)OCNCCCCCCO 34a_100000686447_200000139673 [0,2,0,0,0,0|1,0,0]=3 10893 B15R0.2002 CCCOC(=O)OCNCCCCCOC 34a_100000747528_200000139673 [0,2,0,0,0,0|1,0,0]=3 10894 B15R0.2002 CCCOC(=O)OCNCCOCCOC 34a_100000745349_200000139673 [0,2,0,0,0,0|2,0,0]=4 10895 B15R0.2002 CCCOC(=O)OCOCCCCCCBr 34a_100011215345_200000139673 [0,2,0,0,0,0|1,0,0]=3 10896 B15R0.2002 CCCOC(=O)OCOCCCCCCBr 7a_100011215345_200000139673 [0,2,0,0,0,0|1,0,0]=3 10897 B15R0.2002 CCCOC(=O)OCOCCCCCCCl 34a_100000766143_200000139673 [0,2,0,0,0,0|1,0,0]=3 10898 B15R0.2002 CCCOC(=O)OCOCCCCCCCl 7a_100000766143_200000139673 [0,2,0,0,0,0|1,0,0]=3 10899 B15R0.2002 CCCOC(=O)OCOCCCCCCF 34a_100000732779_200000139673 [0,2,0,0,0,0|1,0,0]=3 10900 B15R0.2002 CCCOC(=O)OCOCCCCCCF 7a_100000732779_200000139673 [0,2,0,0,0,0|1,0,0]=3 10901 B15R0.2002 CCCOC(=O)OCOCCCCCCN 34a_100000686447_200000139673 [0,2,0,0,0,0|1,0,0]=3 10902 B15R0.2002 CCCOC(=O)OCOCCCCCNC 34a_100000722520_200000139673 [0,2,0,0,0,0|1,0,0]=3 10903 B15R0.2002 CCCOC(=O)OCOCCOCCNC 34a_100000228057_200000139673 [0,2,0,0,0,0|2,0,0]=4 10904 B15R0.2002 CCCOC(=O)OCOCCOCCOC 34a_100011215163_200000139673 [0,2,0,0,0,0|2,0,0]=4 10905 B15R0.2002 CCCOC(=O)OCOCCOCCOC 7a_100011215163_200000139673 [0,2,0,0,0,0|2,0,0]=4 10906 B15R0.2002 CCCOC(=O)OCSCCCCCC#N 62a_100009813376_200000139673 [0,2,0,0,0,0|1,0,1]=4 10907 B15R0.2002 CCCOC(=O)OCSCCCCCC=O 62a_100000139337_200000139673 [0,2,0,0,0,0|1,0,1]=4 10908 B15R0.2002 CCCOC(=O)OCSCCCCCCF 62a_100015922095_200000139673 [0,2,0,0,0,0|1,0,0]=3 10909 B15R0.2002 CCCOC(=O)OCSCCCCCCO 62a_100000766143_200000139673 [0,2,0,0,0,0|1,0,0]=3 10910 B15R0.2002 CCCOC(=O)OCSCCOCCOC 62a_100000695917_200000139673 [0,2,0,0,0,0|2,0,0]=4 10911 B15R0.2002 CCCOCCCNCOC(=O)OCCC 34a_100011217757_200000139673 [0,2,0,0,0,0|1,0,0]=3 10912 B15R0.2002 CCCOCCOCCNC(=O)CCOC 11a_200011904461_100000749529 [0,2,0,0,0,0|2,0,0]=4 10913 B15R0.2002 CCCOCCOCCNC(=O)CCOC 1626a_200011904461_100000749529 [0,2,0,0,0,0|2,0,0]=4 10914 B15R0.2002 CCCOCCOCCNC(=O)CCOC 240690a_200011904461_100000749529 [0,2,0,0,0,0|2,0,0]=4 10915 B15R0.2002 CCCOCCOCCNC(=O)CCSC 11a_200011904461_100000174002 [0,2,0,0,0,0|2,0,0]=4 10916 B15R0.2002 CCCOCCOCCNC(=O)CCSC 1626a_200011904461_100000174002 [0,2,0,0,0,0|2,0,0]=4 10917 B15R0.2002 CCCOCCOCCNC(=O)CCSC 240690a_200011904461_100000174002 [0,2,0,0,0,0|2,0,0]=4 10918 B15R0.2002 CCCOCCOCCNC(=O)COCC 11a_200011904461_100000211967 [0,2,0,0,0,0|2,0,0]=4 10919 B15R0.2002 CCCOCCOCCNC(=O)COCC 1626a_200011904461_100000211967 [0,2,0,0,0,0|2,0,0]=4 10920 B15R0.2002 CCCOCCOCCNC(=O)COCC 240690a_200011904461_100000211967 [0,2,0,0,0,0|2,0,0]=4 10921 B15R0.2002 CCCOCCOCCNC(=O)CSCC 11a_200011904461_100000230394 [0,2,0,0,0,0|2,0,0]=4 10922 B15R0.2002 CCCOCCOCCNC(=O)CSCC 1626a_200011904461_100000230394 [0,2,0,0,0,0|2,0,0]=4 10923 B15R0.2002 CCCOCCOCCNC(=O)CSCC 240690a_200011904461_100000230394 [0,2,0,0,0,0|2,0,0]=4 10924 B15R0.2002 CCNNC(=O)CCCCCCCCCF 22a_100000756455_200009909015 [0,2,0,0,0,0|2,0,0]=4 10925 B15R0.2002 CCNNC(=O)CCCCCCCCCO 22a_100000756455_100000032657 [0,2,0,0,0,0|2,0,0]=4 10926 B15R0.2002 CCNNC(=O)NCCCCCCCCO 273464a_102515433106_100000756455 [0,2,0,0,0,0|2,0,0]=4 10927 B15R0.2002 CCNNC(=O)NCCCCCCCCO 512a_100000756455_102515433106 [0,2,0,0,0,0|2,0,0]=4 10928 B15R0.2002 CCNNC(=O)NCCCCCCCCO 512a_102515433106_100000756455 [0,2,0,0,0,0|2,0,0]=4 10929 B15R0.2002 CCOCC(=O)CCCCCCCCCO 1458a_100000211967_100009813782 [0,2,0,0,0,0|1,0,0]=3 10930 B15R0.2002 CCOCC(=O)NCCCCCCCCO 240690a_102515433106_100000211967 [0,2,0,0,0,0|1,0,0]=3 10931 B15R0.2002 CCOCC(C)OCCCCCCCCO 34a_100000718985_100000033203 [0,2,0,0,0,0|1,0,1]=4 10932 B15R0.2002 CCOCC(C)OCCCCCCCCO 7a_100000718985_100000033203 [0,2,0,0,0,0|1,0,1]=4 10933 B15R0.2002 CCSCC(=O)CCCCCCCCCO 1458a_100000230394_100009813782 [0,2,0,0,0,0|1,0,0]=3 10934 B15R0.2002 CCSCC(=O)NCCCCCCCCO 240690a_102515433106_100000230394 [0,2,0,0,0,0|1,0,0]=3 10935 B15R0.2002 COCCC(=O)CCCCCCCCCF 1458a_200009909015_100000233755 [0,2,0,0,0,0|1,0,0]=3 10936 B15R0.2002 COCCC(=O)CCCCCCCCCO 1458a_100000749529_100009813782 [0,2,0,0,0,0|1,0,0]=3 10937 B15R0.2002 COCCC(=O)NCCCCCCCCO 240690a_102515433106_100000749529 [0,2,0,0,0,0|1,0,0]=3 10938 B15R0.2002 CSCCC(=O)CCCCCCCCCF 1458a_200009909015_100000751147 [0,2,0,0,0,0|1,0,0]=3 10939 B15R0.2002 CSCCC(=O)CCCCCCCCCO 1458a_100000174002_100009813782 [0,2,0,0,0,0|1,0,0]=3 10940 B15R0.2002 CSCCC(=O)NCCCCCCCCO 240690a_102515433106_100000174002 [0,2,0,0,0,0|1,0,0]=3 10941 B15R0.2002 N#CCCC(=O)CCCCCCCCCF 1458a_200009909015_100011215226 [0,2,0,0,0,0|1,0,1]=4 10942 B15R0.2002 N#CCCC(=O)CCCCCCCCCO 1458a_100011934036_100009813782 [0,2,0,0,0,0|1,0,1]=4 10943 B15R0.2002 N#CCCC(=O)NCCCCCCCCO 240690a_102515433106_100011934036 [0,2,0,0,0,0|1,0,1]=4 10944 B15R0.2002 O=C(CCCCCCCCCF)NCCF 11a_100000724931_200009909015 [0,2,0,0,0,0|2,0,0]=4 10945 B15R0.2002 O=C(CCCCCCCCCF)NCCF 240690a_100000724931_200009909015 [0,2,0,0,0,0|2,0,0]=4 10946 B15R0.2002 O=C(CCCCCCCCCF)NCCF 527a_100000724931_200009909015 [0,2,0,0,0,0|2,0,0]=4 10947 B15R0.2002 O=C(CCCCCCCCCF)NCCO 240690a_100000210304_200009909015 [0,2,0,0,0,0|2,0,0]=4 10948 B15R0.2002 O=C(CCCCCCCCCF)NCCO 527a_100000210304_200009909015 [0,2,0,0,0,0|2,0,0]=4 10949 B15R0.2002 O=C(CCCCCCCCCO)NCCF 240690a_100000724931_100000032657 [0,2,0,0,0,0|2,0,0]=4 10950 B15R0.2002 O=C(CCCCCCCCCO)NCCO 240690a_100000210304_100000032657 [0,2,0,0,0,0|2,0,0]=4 10951 B15R0.2002 O=C(CCCF)CCCCCCCCCF 1458a_200009909015_100011934791 [0,2,0,0,0,0|1,0,0]=3 10952 B15R0.2002 O=C(CCCO)CCCCCCCCCF 1458a_200009909015_100011215043 [0,2,0,0,0,0|1,0,0]=3 10953 B15R0.2002 O=C(NCCF)NCCCCCCCCO 2708a_102515433106_100000724931 [0,2,0,0,0,0|2,0,0]=4 10954 B15R0.2002 O=C(NCCF)NCCCCCCCCO 273464a_100000724931_102515433106 [0,2,0,0,0,0|2,0,0]=4 10955 B15R0.2002 O=C(NCCF)NCCCCCCCCO 273464a_102515433106_100000724931 [0,2,0,0,0,0|2,0,0]=4 10956 B15R0.2002 O=C(NCCF)NCCCCCCCCO 512a_102515433106_100000724931 [0,2,0,0,0,0|2,0,0]=4 10957 B15R0.2002 O=C(NCCO)NCCCCCCCCO 2708a_102515433106_100000210304 [0,2,0,0,0,0|2,0,0]=4 10958 B15R0.2002 O=C(NCCO)NCCCCCCCCO 273464a_100000210304_102515433106 [0,2,0,0,0,0|2,0,0]=4 10959 B15R0.2002 O=C(NCCO)NCCCCCCCCO 273464a_102515433106_100000210304 [0,2,0,0,0,0|2,0,0]=4 10960 B15R0.2002 O=C(NCCO)NCCCCCCCCO 512a_102515433106_100000210304 [0,2,0,0,0,0|2,0,0]=4 10961 B15R0.110 CC(C)CCCC(C)CCNC(=O)CCO 240690a_102516457229_100011216618 [0,2,0,0,0,0|2,0,0]=4 10962 B15R0.110 CCCC(=O)NCCC(C)CCCC(C)C 1626a_102516457229_100000211992 [0,2,0,0,0,0|1,0,0]=3 10963 B15R0.110 CCCC(=O)NCCC(C)CCCC(C)C 240690a_102516457229_100000211992 [0,2,0,0,0,0|1,0,0]=3 10964 B15R0.110 CCCC(=O)NCCC(C)CCCC(C)C 527a_102516457229_100000211992 [0,2,0,0,0,0|1,0,0]=3 10965 B15R0.110 CCCC(=O)OCNC(C)CCCC(C)C 2230a_100000210607_100000034017 [0,2,0,0,0,0|1,0,0]=3 10966 B15R0.110 CCCC(=O)OCOC(C)CCCC(C)C 34a_200011218570_100000034017 [0,2,0,0,0,0|1,0,0]=3 10967 B15R0.110 CCCC(C)OCCC(C)CCCC(C)C 34a_100000015991_100000766640 [0,2,0,0,0,0|1,0,1]=4 10968 B15R0.110 CCCC(C)OCCC(C)CCCC(C)C 34a_100000764384_100009816328 [0,2,0,0,0,0|1,0,1]=4 10969 B15R0.110 CCCC(C)OCCC(C)CCCC(C)C 7a_100000015991_100000766640 [0,2,0,0,0,0|1,0,1]=4 10970 B15R0.110 CCCC(C)OCCC(C)CCCC(C)C 7a_100000764384_100009816328 [0,2,0,0,0,0|1,0,1]=4 10971 B15R0.110 CCNC(=O)NCCC(C)CCCC(C)C 2708a_100015525214_102516457229 [0,2,0,0,0,0|2,0,0]=4 10972 B15R0.110 CCNC(=O)NCCC(C)CCCC(C)C 2708a_102516457229_100015525214 [0,2,0,0,0,0|2,0,0]=4 10973 B15R0.110 CCNC(=O)NCCC(C)CCCC(C)C 273464a_100015525214_102516457229 [0,2,0,0,0,0|2,0,0]=4 10974 B15R0.110 CCNC(=O)NCCC(C)CCCC(C)C 273464a_102516457229_100015525214 [0,2,0,0,0,0|2,0,0]=4 10975 B15R0.110 CCNC(=O)NCCC(C)CCCC(C)C 512a_100015525214_102516457229 [0,2,0,0,0,0|2,0,0]=4 10976 B15R0.110 CCNC(=O)NCCC(C)CCCC(C)C 512a_102516457229_100015525214 [0,2,0,0,0,0|2,0,0]=4 10977 B15R0.110 COCC(=O)NCCC(C)CCCC(C)C 1626a_102516457229_100000210968 [0,2,0,0,0,0|2,0,0]=4 10978 B15R0.110 COCC(=O)NCCC(C)CCCC(C)C 240690a_102516457229_100000210968 [0,2,0,0,0,0|2,0,0]=4 10979 B15R0.110 COCC(=O)NCCC(C)CCCC(C)C 527a_102516457229_100000210968 [0,2,0,0,0,0|2,0,0]=4 10980 B15R0.110 CSCC(=O)NCCC(C)CCCC(C)C 1626a_102516457229_100000184570 [0,2,0,0,0,0|2,0,0]=4 10981 B15R0.110 CSCC(=O)NCCC(C)CCCC(C)C 240690a_102516457229_100000184570 [0,2,0,0,0,0|2,0,0]=4 10982 B15R0.110 CSCC(=O)NCCC(C)CCCC(C)C 527a_102516457229_100000184570 [0,2,0,0,0,0|2,0,0]=4 10983 B15R0.210 C#CCCC(=O)NCCCCCCC(C)C 11a_100000211014_100000692101 [0,2,0,0,0,0|1,0,1]=4 10984 B15R0.210 C#CCCC(=O)NCCCCCCC(C)C 1626a_100000211014_100000692101 [0,2,0,0,0,0|1,0,1]=4 10985 B15R0.210 C#CCCC(=O)NCCCCCCC(C)C 240690a_100000211014_100000692101 [0,2,0,0,0,0|1,0,1]=4 10986 B15R0.210 C#CCCC(=O)NCCCCCCC(C)C 527a_100000211014_100000692101 [0,2,0,0,0,0|1,0,1]=4 10987 B15R0.210 C=CCCC(=O)NCCCCCCC(C)C 11a_100000211014_100000749702 [0,2,0,0,0,0|1,0,1]=4 10988 B15R0.210 C=CCCC(=O)NCCCCCCC(C)C 1626a_100000211014_100000749702 [0,2,0,0,0,0|1,0,1]=4 10989 B15R0.210 C=CCCC(=O)NCCCCCCC(C)C 240690a_100000211014_100000749702 [0,2,0,0,0,0|1,0,1]=4 10990 B15R0.210 C=CCCC(=O)NCCCCCCC(C)C 527a_100000211014_100000749702 [0,2,0,0,0,0|1,0,1]=4 10991 B15R0.210 CC(C)CCCCCCNC(=O)CCC#N 11a_100000211014_100011934036 [0,2,0,0,0,0|1,0,1]=4 10992 B15R0.210 CC(C)CCCCCCNC(=O)CCC#N 1626a_100000211014_100011934036 [0,2,0,0,0,0|1,0,1]=4 10993 B15R0.210 CC(C)CCCCCCNC(=O)CCC#N 240690a_100000211014_100011934036 [0,2,0,0,0,0|1,0,1]=4 10994 B15R0.210 CC(C)CCCCCCNC(=O)CCC#N 527a_100000211014_100011934036 [0,2,0,0,0,0|1,0,1]=4 10995 B15R0.210 CC(C)CCCCCCNC(=O)NCCF 2708a_100000211014_100000724931 [0,2,0,0,0,0|2,0,0]=4 10996 B15R0.210 CC(C)CCCCCCNC(=O)NCCF 273464a_100000211014_100000724931 [0,2,0,0,0,0|2,0,0]=4 10997 B15R0.210 CC(C)CCCCCCNC(=O)NCCF 273464a_100000724931_100000211014 [0,2,0,0,0,0|2,0,0]=4 10998 B15R0.210 CC(C)CCCCCCNC(=O)NCCF 512a_100000211014_100000724931 [0,2,0,0,0,0|2,0,0]=4 10999 B15R0.210 CC(C)CCCCCCNC(=O)NCCO 2708a_100000211014_100000210304 [0,2,0,0,0,0|2,0,0]=4 11000 B15R0.210 CC(C)CCCCCCNC(=O)NCCO 273464a_100000210304_100000211014 [0,2,0,0,0,0|2,0,0]=4 11001 B15R0.210 CC(C)CCCCCCNC(=O)NCCO 273464a_100000211014_100000210304 [0,2,0,0,0,0|2,0,0]=4 11002 B15R0.210 CC(C)CCCCCCNC(=O)NCCO 512a_100000211014_100000210304 [0,2,0,0,0,0|2,0,0]=4 11003 B15R0.210 CC=CCC(=O)NCCCCCCC(C)C 11a_100000211014_100121576822 [0,2,0,0,0,0|1,0,1]=4 11004 B15R0.210 CC=CCC(=O)NCCCCCCC(C)C 1626a_100000211014_100121576822 [0,2,0,0,0,0|1,0,1]=4 11005 B15R0.210 CC=CCC(=O)NCCCCCCC(C)C 240690a_100000211014_100121576822 [0,2,0,0,0,0|1,0,1]=4 11006 B15R0.210 CC=CCC(=O)NCCCCCCC(C)C 527a_100000211014_100121576822 [0,2,0,0,0,0|1,0,1]=4 11007 B15R0.210 CCC=CC(=O)NCCCCCCC(C)C 11a_100000211014_100000212282 [0,2,0,0,0,0|1,0,1]=4 11008 B15R0.210 CCC=CC(=O)NCCCCCCC(C)C 1626a_100000211014_100000212282 [0,2,0,0,0,0|1,0,1]=4 11009 B15R0.210 CCC=CC(=O)NCCCCCCC(C)C 240690a_100000211014_100000212282 [0,2,0,0,0,0|1,0,1]=4 11010 B15R0.210 CCCCC(=O)NCCCCCCC(C)C 11a_100000211014_100000210183 [0,2,0,0,0,0|1,0,0]=3 11011 B15R0.210 CCCCC(=O)NCCCCCCC(C)C 1626a_100000211014_100000210183 [0,2,0,0,0,0|1,0,0]=3 11012 B15R0.210 CCCCC(=O)NCCCCCCC(C)C 240690a_100000211014_100000210183 [0,2,0,0,0,0|1,0,0]=3 11013 B15R0.210 CCCCC(=O)NCCCCCCC(C)C 527a_100000211014_100000210183 [0,2,0,0,0,0|1,0,0]=3 11014 B15R0.210 CCCCC(=O)NCCCCCCN(C)C 240690a_200011233508_100000210183 [0,2,0,0,0,0|2,0,0]=4 11015 B15R0.210 CCCNC(=O)CCCNCCCC(C)C 2230a_200000737386_100011194427 [0,2,0,0,0,0|2,0,0]=4 11016 B15R0.210 CCCNC(=O)CCCOCCCC(C)C 7a_100000210774_100011194427 [0,2,0,0,0,0|2,0,0]=4 11017 B15R0.210 CCCNC(=O)CCCSCCCC(C)C 62a_100011194427_100011214892 [0,2,0,0,0,0|2,0,0]=4 11018 B15R0.210 CCCNC(=O)CCCSCCCC(C)C 62a_100011214892_100011194427 [0,2,0,0,0,0|2,0,0]=4 11019 B15R0.210 CCCNC(=O)CCCSCCCC(C)O 62a_100011194427_200000718107 [0,2,0,0,0,0|2,0,0]=4 11020 B15R0.210 CCCNC(=O)CCCSCCCC(C)O 62a_200000718107_100011194427 [0,2,0,0,0,0|2,0,0]=4 11021 B15R0.210 CCCNC(=O)CNCCCCCC(C)C 2230a_100000174927_100000210682 [0,2,0,0,0,0|2,0,0]=4 11022 B15R0.210 CCCNC(=O)CNCCCCCC(C)C 2230a_100011290863_100000183358 [0,2,0,0,0,0|2,0,0]=4 11023 B15R0.210 CCCNC(=O)CNCCCCCC(C)C 34a_100011290863_100000183358 [0,2,0,0,0,0|2,0,0]=4 11024 B15R0.210 CCCNC(=O)COCCCCCC(C)C 34a_100011995859_100000183358 [0,2,0,0,0,0|2,0,0]=4 11025 B15R0.210 CCCNC(=O)COCCCCCC(C)C 7a_100011995859_100000183358 [0,2,0,0,0,0|2,0,0]=4 11026 B15R0.210 CCCNC(=O)CSCCCCCC(C)C 62a_100000183358_100000210682 [0,2,0,0,0,0|2,0,0]=4 11027 B15R0.210 CCCNC(=O)CSCCCCCC(C)C 62a_100000210682_100000183358 [0,2,0,0,0,0|2,0,0]=4 11028 B15R0.210 CCCNC(=O)NCCCCCCC(C)C 2708a_100000211014_100020643023 [0,2,0,0,0,0|1,0,0]=3 11029 B15R0.210 CCCNC(=O)NCCCCCCC(C)C 2708a_100020643023_100000211014 [0,2,0,0,0,0|1,0,0]=3 11030 B15R0.210 CCCNC(=O)NCCCCCCC(C)C 273464a_100000211014_100020643023 [0,2,0,0,0,0|1,0,0]=3 11031 B15R0.210 CCCNC(=O)NCCCCCCC(C)C 273464a_100020643023_100000211014 [0,2,0,0,0,0|1,0,0]=3 11032 B15R0.210 CCCNC(=O)NCCCCCCC(C)C 512a_100000211014_100020643023 [0,2,0,0,0,0|1,0,0]=3 11033 B15R0.210 CCCNC(=O)NCCCCCCC(C)C 512a_100020643023_100000211014 [0,2,0,0,0,0|1,0,0]=3 11034 B15R0.210 CCCNC(=O)NCCCCCCN(C)C 2708a_100020643023_200011233508 [0,2,0,0,0,0|2,0,0]=4 11035 B15R0.210 CCCNC(=O)NCCCCCCN(C)C 2708a_200011233508_100020643023 [0,2,0,0,0,0|2,0,0]=4 11036 B15R0.210 CCCNC(=O)NCCCCCCN(C)C 273464a_100020643023_200011233508 [0,2,0,0,0,0|2,0,0]=4 11037 B15R0.210 CCCNC(=O)NCCCCCCN(C)C 273464a_200011233508_100020643023 [0,2,0,0,0,0|2,0,0]=4 11038 B15R0.210 CCCNC(=O)NCCCCCCN(C)C 512a_100020643023_200011233508 [0,2,0,0,0,0|2,0,0]=4 11039 B15R0.210 CCCNC(=O)NCCCCCCN(C)C 512a_200011233508_100020643023 [0,2,0,0,0,0|2,0,0]=4 11040 B15R0.210 CCCOC(=O)CNCCCCCC(C)C 2230a_100011290863_200011215008 [0,2,0,0,0,0|2,0,0]=4 11041 B15R0.210 CCCOC(=O)CNCCCCCC(C)C 34a_100011290863_200011215008 [0,2,0,0,0,0|2,0,0]=4 11042 B15R0.210 CCCOC(=O)COCCCCCC(C)C 34a_100011995859_200011215008 [0,2,0,0,0,0|2,0,0]=4 11043 B15R0.210 CCCOC(=O)COCCCCCC(C)C 7a_100011995859_200011215008 [0,2,0,0,0,0|2,0,0]=4 11044 B15R0.210 CCCOC(=O)CSCCCCCC(C)C 62a_100000210682_200011215008 [0,2,0,0,0,0|2,0,0]=4 11045 B15R0.210 CCCOC(=O)CSCCCCCC(C)C 62a_200011215008_100000210682 [0,2,0,0,0,0|2,0,0]=4 11046 B15R0.210 CCCOC(=O)OCNCCCOC(C)C 34a_100000737246_200000139673 [0,2,0,0,0,0|2,0,0]=4 11047 B15R0.210 CCCOC(=O)OCOCCCCC(C)C 34a_100011214890_200000139673 [0,2,0,0,0,0|1,0,0]=3 11048 B15R0.210 CCCOC(=O)OCOCCCCC(C)C 7a_100011214890_200000139673 [0,2,0,0,0,0|1,0,0]=3 11049 B15R0.210 CCCOC(=O)OCOCCCNC(C)C 34a_100000182298_200000139673 [0,2,0,0,0,0|2,0,0]=4 11050 B15R0.210 CCCOC(=O)OCOCCNCC(C)C 34a_100015185251_200000139673 [0,2,0,0,0,0|2,0,0]=4 11051 B15R0.210 CCCOC(=O)OCOCCOCC(C)C 34a_100000703358_200000139673 [0,2,0,0,0,0|2,0,0]=4 11052 B15R0.210 CCCOC(=O)OCOCCOCC(C)C 7a_100000703358_200000139673 [0,2,0,0,0,0|2,0,0]=4 11053 B15R0.210 CCCOC(=O)OCOCCSCC(C)C 34a_200000230437_200000139673 [0,2,0,0,0,0|2,0,0]=4 11054 B15R0.210 CCCOC(=O)OCOCCSCC(C)C 7a_200000230437_200000139673 [0,2,0,0,0,0|2,0,0]=4 11055 B15R0.210 CCCOC(=O)OCSCCCCC(=O)C 62a_100000735457_200000139673 [0,2,0,0,0,0|1,0,1]=4 11056 B15R0.210 CCCOC(=O)OCSCCCCC(C)C 62a_100011216152_200000139673 [0,2,0,0,0,0|1,0,0]=3 11057 B15R0.210 CCNNC(=O)NCCCCCCC(C)C 273464a_100000211014_100000756455 [0,2,0,0,0,0|2,0,0]=4 11058 B15R0.210 CCNNC(=O)NCCCCCCC(C)C 512a_100000211014_100000756455 [0,2,0,0,0,0|2,0,0]=4 11059 B15R0.210 CCNNC(=O)NCCCCCCC(C)C 512a_100000756455_100000211014 [0,2,0,0,0,0|2,0,0]=4 11060 B15R0.210 CCOCC(=O)NCCCCCCC(C)C 11a_100000211014_100000211967 [0,2,0,0,0,0|1,0,0]=3 11061 B15R0.210 CCOCC(=O)NCCCCCCC(C)C 1626a_100000211014_100000211967 [0,2,0,0,0,0|1,0,0]=3 11062 B15R0.210 CCOCC(=O)NCCCCCCC(C)C 240690a_100000211014_100000211967 [0,2,0,0,0,0|1,0,0]=3 11063 B15R0.210 CCOCC(=O)NCCCCCCC(C)C 527a_100000211014_100000211967 [0,2,0,0,0,0|1,0,0]=3 11064 B15R0.210 CCOCC(=O)NCCCCCCN(C)C 240690a_200011233508_100000211967 [0,2,0,0,0,0|2,0,0]=4 11065 B15R0.210 CCSCC(=O)NCCCCCCC(C)C 11a_100000211014_100000230394 [0,2,0,0,0,0|1,0,0]=3 11066 B15R0.210 CCSCC(=O)NCCCCCCC(C)C 1626a_100000211014_100000230394 [0,2,0,0,0,0|1,0,0]=3 11067 B15R0.210 CCSCC(=O)NCCCCCCC(C)C 240690a_100000211014_100000230394 [0,2,0,0,0,0|1,0,0]=3 11068 B15R0.210 CCSCC(=O)NCCCCCCC(C)C 527a_100000211014_100000230394 [0,2,0,0,0,0|1,0,0]=3 11069 B15R0.210 CCSCC(=O)NCCCCCCN(C)C 240690a_200011233508_100000230394 [0,2,0,0,0,0|2,0,0]=4 11070 B15R0.210 COCCC(=O)NCCCCCCC(C)C 11a_100000211014_100000749529 [0,2,0,0,0,0|1,0,0]=3 11071 B15R0.210 COCCC(=O)NCCCCCCC(C)C 1626a_100000211014_100000749529 [0,2,0,0,0,0|1,0,0]=3 11072 B15R0.210 COCCC(=O)NCCCCCCC(C)C 240690a_100000211014_100000749529 [0,2,0,0,0,0|1,0,0]=3 11073 B15R0.210 COCCC(=O)NCCCCCCC(C)C 527a_100000211014_100000749529 [0,2,0,0,0,0|1,0,0]=3 11074 B15R0.210 COCCC(=O)NCCCCCCN(C)C 240690a_200011233508_100000749529 [0,2,0,0,0,0|2,0,0]=4 11075 B15R0.210 CSCCC(=O)NCCCCCCC(C)C 11a_100000211014_100000174002 [0,2,0,0,0,0|1,0,0]=3 11076 B15R0.210 CSCCC(=O)NCCCCCCC(C)C 1626a_100000211014_100000174002 [0,2,0,0,0,0|1,0,0]=3 11077 B15R0.210 CSCCC(=O)NCCCCCCC(C)C 240690a_100000211014_100000174002 [0,2,0,0,0,0|1,0,0]=3 11078 B15R0.210 CSCCC(=O)NCCCCCCC(C)C 527a_100000211014_100000174002 [0,2,0,0,0,0|1,0,0]=3 11079 B15R0.210 CSCCC(=O)NCCCCCCN(C)C 240690a_200011233508_100000174002 [0,2,0,0,0,0|2,0,0]=4 11080 B15R0.1737 CCCC(=O)CSCCCCCC(C)(C)O 62a_100000747444_100010402123 [0,2,0,0,0,0|2,0,0]=4 11081 B15R0.1737 CCCC(=O)CSCCCCCC(C)(C)O 62a_100010402123_100000747444 [0,2,0,0,0,0|2,0,0]=4 11082 B15R0.1737 CCCC(=O)OCNCCCOC(C)(C)C 2230a_100011250582_100000034017 [0,2,0,0,0,0|2,0,0]=4 11083 B15R0.1737 CCCC(=O)OCOCCCCC(F)(F)F 34a_100000749236_100000034017 [0,2,0,0,0,0|2,0,0]=4 11084 B15R0.1737 CCCC(=O)OCSCCCCC(F)(F)F 62a_100000692467_100000034017 [0,2,0,0,0,0|2,0,0]=4 11085 B15R0.4332 CCCS(=O)(=O)NCCCCCCC(C)C 270084a_100000211014_100000211391 [0,2,0,0,0,0|2,0,0]=4 11086 B15R0.4332 CCCS(=O)(=O)NCCCCCCC(C)C 274078a_100000211014_100000211391 [0,2,0,0,0,0|2,0,0]=4 11087 B15R0.4332 CCCS(=O)(=O)NCCCCCCC(C)C 40a_100000211014_100000054278 [0,2,0,0,0,0|2,0,0]=4 11088 B15R0.88 C=C(C)CCC(=O)C=CCCCCCCC 1458a_200015332781_100000730704 [0,2,0,0,0,0|1,0,1]=4 11089 B15R0.88 C=C(C)CCC(=O)CCCCCCCCC 1458a_100000210558_100000730704 [0,2,0,0,0,0|1,0,0]=3 11090 B15R0.88 C=C(C)CCC(=O)CCCCCCCCC 1458a_200000688413_100000210670 [0,2,0,0,0,0|1,0,0]=3 11091 B15R0.88 C=C(C)CCC(=O)CCCCCCCCO 1458a_200000688413_100000033203 [0,2,0,0,0,0|2,0,0]=4 11092 B15R0.88 C=C(C)CCC(=O)NCCCCCCCC 11a_100000229939_200000688413 [0,2,0,0,0,0|1,0,0]=3 11093 B15R0.88 C=C(C)CCC(=O)NCCCCCCCC 1626a_100000229939_200000688413 [0,2,0,0,0,0|1,0,0]=3 11094 B15R0.88 C=C(C)CCC(=O)NCCCCCCCC 240690a_100000229939_200000688413 [0,2,0,0,0,0|1,0,0]=3 11095 B15R0.88 C=C(C)CCC(=O)NCCCCCCCC 527a_100000229939_200000688413 [0,2,0,0,0,0|1,0,0]=3 11096 B15R0.88 C=C(C)CCC(=O)NCCCCCCCO 240690a_100011996573_200000688413 [0,2,0,0,0,0|2,0,0]=4 11097 B15R0.88 C=C(C)CCC(=O)NCCCOCCCC 1626a_200000211371_200000688413 [0,2,0,0,0,0|2,0,0]=4 11098 B15R0.88 C=C(C)CCC(=O)NCCCOCCCC 240690a_200000211371_200000688413 [0,2,0,0,0,0|2,0,0]=4 11099 B15R0.88 C=C(C)CCC(=O)NCCCOCCCC 527a_200000211371_200000688413 [0,2,0,0,0,0|2,0,0]=4 11100 B15R0.88 C=C(C)CNC(=O)CCCCCCCCC 11a_100000765925_100000210558 [0,2,0,0,0,0|1,0,1]=4 11101 B15R0.88 C=C(C)CNC(=O)CCCCCCCCC 1626a_100000765925_100000210558 [0,2,0,0,0,0|1,0,1]=4 11102 B15R0.88 C=C(C)CNC(=O)CCCCCCCCC 240690a_100000765925_100000210558 [0,2,0,0,0,0|1,0,1]=4 11103 B15R0.88 C=C(C)CNC(=O)CCCCCCCCC 527a_100000765925_100000210558 [0,2,0,0,0,0|1,0,1]=4 11104 B15R0.88 C=C(C)CNC(=O)NCCCCCCCC 2708a_100000229939_100000765925 [0,2,0,0,0,0|1,0,1]=4 11105 B15R0.88 C=C(C)CNC(=O)NCCCCCCCC 2708a_100000765925_100000229939 [0,2,0,0,0,0|1,0,1]=4 11106 B15R0.88 C=C(C)CNC(=O)NCCCCCCCC 273464a_100000229939_100000765925 [0,2,0,0,0,0|1,0,1]=4 11107 B15R0.88 C=C(C)CNC(=O)NCCCCCCCC 273464a_100000765925_100000229939 [0,2,0,0,0,0|1,0,1]=4 11108 B15R0.88 C=C(C)CNC(=O)NCCCCCCCC 512a_100000229939_100000765925 [0,2,0,0,0,0|1,0,1]=4 11109 B15R0.88 C=C(C)CNC(=O)NCCCCCCCC 512a_100000765925_100000229939 [0,2,0,0,0,0|1,0,1]=4 11110 B15R0.88 CC(C)CCC(=O)CCCCCCCCO 1458a_100000181311_100000033203 [0,2,0,0,0,0|2,0,0]=4 11111 B15R0.88 CC(C)CCC(=O)NCCCCCCCO 240690a_100011996573_100000181311 [0,2,0,0,0,0|2,0,0]=4 11112 B15R0.88 CC(C)CNC(=O)CCCCCCCCO 240690a_100000210953_100000015970 [0,2,0,0,0,0|2,0,0]=4 11113 B15R0.88 CC(C)CNC(=O)NCCCCCCCO 2708a_100000210953_100011996573 [0,2,0,0,0,0|2,0,0]=4 11114 B15R0.88 CC(C)CNC(=O)NCCCCCCCO 2708a_100011996573_100000210953 [0,2,0,0,0,0|2,0,0]=4 11115 B15R0.88 CC(C)CNC(=O)NCCCCCCCO 273464a_100000210953_100011996573 [0,2,0,0,0,0|2,0,0]=4 11116 B15R0.88 CC(C)CNC(=O)NCCCCCCCO 273464a_100011996573_100000210953 [0,2,0,0,0,0|2,0,0]=4 11117 B15R0.88 CC(C)CNC(=O)NCCCCCCCO 512a_100000210953_100011996573 [0,2,0,0,0,0|2,0,0]=4 11118 B15R0.88 CC(C)CNC(=O)NCCCCCCCO 512a_100011996573_100000210953 [0,2,0,0,0,0|2,0,0]=4 11119 B15R0.88 CC(C)OCC(=O)CCCCCCCCO 1458a_100000745533_100000033203 [0,2,0,0,0,0|2,0,0]=4 11120 B15R0.88 CC(C)OCC(=O)NCCCCCCCO 240690a_100011996573_100000745533 [0,2,0,0,0,0|2,0,0]=4 11121 B15R0.88 CC(C)SCC(=O)CCCCCCCCO 1458a_100000241585_100000033203 [0,2,0,0,0,0|2,0,0]=4 11122 B15R0.88 CC(C)SCC(=O)NCCCCCCCO 240690a_100011996573_100000241585 [0,2,0,0,0,0|2,0,0]=4 11123 B15R0.88 CC(O)CNC(=O)CCCCCCCCO 240690a_100000210904_100000015970 [0,2,0,0,0,0|2,0,0]=4 11124 B15R0.88 CC(O)CNC(=O)NCCCCCCCO 2708a_100011996573_100000210904 [0,2,0,0,0,0|2,0,0]=4 11125 B15R0.88 CC(O)CNC(=O)NCCCCCCCO 273464a_100000210904_100011996573 [0,2,0,0,0,0|2,0,0]=4 11126 B15R0.88 CC(O)CNC(=O)NCCCCCCCO 273464a_100011996573_100000210904 [0,2,0,0,0,0|2,0,0]=4 11127 B15R0.88 CC(O)CNC(=O)NCCCCCCCO 512a_100000210904_100011996573 [0,2,0,0,0,0|2,0,0]=4 11128 B15R0.88 CC(O)CNC(=O)NCCCCCCCO 512a_100011996573_100000210904 [0,2,0,0,0,0|2,0,0]=4 11129 B15R0.88 CCCCCCCC=CC(=O)CCC(C)C 1458a_200015332781_100000210312 [0,2,0,0,0,0|1,0,1]=4 11130 B15R0.88 CCCCCCCC=CC(=O)CCC(C)O 1458a_200015332781_100012276601 [0,2,0,0,0,0|1,0,1]=4 11131 B15R0.88 CCCCCCCC=CC(=O)NCC(C)C 11a_100000210953_200015332781 [0,2,0,0,0,0|1,0,1]=4 11132 B15R0.88 CCCCCCCC=CC(=O)NCC(C)C 1626a_100000210953_200015332781 [0,2,0,0,0,0|1,0,1]=4 11133 B15R0.88 CCCCCCCC=CC(=O)NCC(C)C 240690a_100000210953_200015332781 [0,2,0,0,0,0|1,0,1]=4 11134 B15R0.88 CCCCCCCC=CC(=O)NCC(C)O 11a_100000210904_200015332781 [0,2,0,0,0,0|1,0,1]=4 11135 B15R0.88 CCCCCCCC=CC(=O)NCC(C)O 240690a_100000210904_200015332781 [0,2,0,0,0,0|1,0,1]=4 11136 B15R0.88 CCCCCCCCCC(=O)C=CC(C)C 1458a_100016268746_100000210670 [0,2,0,0,0,0|1,0,1]=4 11137 B15R0.88 CCCCCCCCCC(=O)CC=C(C)C 1458a_100000210558_100000761012 [0,2,0,0,0,0|1,0,1]=4 11138 B15R0.88 CCCCCCCCCC(=O)CC=C(C)C 1458a_100011220947_100000210670 [0,2,0,0,0,0|1,0,1]=4 11139 B15R0.88 CCCCCCCCCC(=O)CCC(=O)N 1458a_100011215257_100000210670 [0,2,0,0,0,0|1,0,1]=4 11140 B15R0.88 CCCCCCCCCC(=O)CCC(C)C 1458a_100000181311_100000210670 [0,2,0,0,0,0|1,0,0]=3 11141 B15R0.88 CCCCCCCCCC(=O)CCC(C)C 1458a_100000210558_100000210312 [0,2,0,0,0,0|1,0,0]=3 11142 B15R0.88 CCCCCCCCCC(=O)CCC(C)O 1458a_100000210558_100012276601 [0,2,0,0,0,0|1,0,0]=3 11143 B15R0.88 CCCCCCCCCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000210670 [0,2,0,0,0,0|2,0,0]=4 11144 B15R0.88 CCCCCCCCCC(=O)CC[S+](C)C 1458a_100009452791_100000210670 [0,2,0,0,0,0|1,0,0]=3 11145 B15R0.88 CCCCCCCCCC(=O)CNC(=O)C 1458a_100000194580_100000210670 [0,2,0,0,0,0|1,0,1]=4 11146 B15R0.88 CCCCCCCCCC(=O)COC(=O)C 1458a_100000183556_100000210670 [0,2,0,0,0,0|1,0,1]=4 11147 B15R0.88 CCCCCCCCCC(=O)COC(C)C 1458a_100000745533_100000210670 [0,2,0,0,0,0|1,0,0]=3 11148 B15R0.88 CCCCCCCCCC(=O)COC(F)F 1458a_200000719455_100000210670 [0,2,0,0,0,0|2,0,0]=4 11149 B15R0.88 CCCCCCCCCC(=O)CSC(=O)C 1458a_100000049016_100000210670 [0,2,0,0,0,0|1,0,1]=4 11150 B15R0.88 CCCCCCCCCC(=O)CSC(C)C 1458a_100000241585_100000210670 [0,2,0,0,0,0|1,0,0]=3 11151 B15R0.88 CCCCCCCCCC(=O)CSC(F)F 1458a_114828291038_100000210670 [0,2,0,0,0,0|2,0,0]=4 11152 B15R0.88 CCCCCCCCCC(=O)NCC(C)C 11a_100000210953_100000210558 [0,2,0,0,0,0|1,0,0]=3 11153 B15R0.88 CCCCCCCCCC(=O)NCC(C)C 1626a_100000210953_100000210558 [0,2,0,0,0,0|1,0,0]=3 11154 B15R0.88 CCCCCCCCCC(=O)NCC(C)C 240690a_100000210953_100000210558 [0,2,0,0,0,0|1,0,0]=3 11155 B15R0.88 CCCCCCCCCC(=O)NCC(C)C 527a_100000210953_100000210558 [0,2,0,0,0,0|1,0,0]=3 11156 B15R0.88 CCCCCCCCCC(=O)NCC(C)O 11a_100000210904_100000210558 [0,2,0,0,0,0|1,0,0]=3 11157 B15R0.88 CCCCCCCCCC(=O)NCC(C)O 240690a_100000210904_100000210558 [0,2,0,0,0,0|1,0,0]=3 11158 B15R0.88 CCCCCCCCCC(=O)NCC(C)O 527a_100000210904_100000210558 [0,2,0,0,0,0|1,0,0]=3 11159 B15R0.88 CCCCCCCCCC(=O)NCC(F)F 11a_100000765723_100000210558 [0,2,0,0,0,0|2,0,0]=4 11160 B15R0.88 CCCCCCCCCC(=O)NCC(F)F 1626a_100000765723_100000210558 [0,2,0,0,0,0|2,0,0]=4 11161 B15R0.88 CCCCCCCCCC(=O)NCC(F)F 240690a_100000765723_100000210558 [0,2,0,0,0,0|2,0,0]=4 11162 B15R0.88 CCCCCCCCCC(=O)NCC(F)F 527a_100000765723_100000210558 [0,2,0,0,0,0|2,0,0]=4 11163 B15R0.88 CCCCCCCCCC(=O)NNC(C)C 22a_100000741168_100000210558 [0,2,0,0,0,0|2,0,0]=4 11164 B15R0.88 CCCCCCCCCC(=O)OCC(=O)C 1458a_100000070787_200010990708 [0,2,0,0,0,0|1,0,1]=4 11165 B15R0.88 CCCCCCCCCC(=O)OCN(C)C 2230a_100102631434_200010990708 [0,2,0,0,0,0|2,0,0]=4 11166 B15R0.88 CCCCCCCCCC(=O)OCN(C)C 269982a_100102631434_200010990708 [0,2,0,0,0,0|2,0,0]=4 11167 B15R0.88 CCCCCCCCNC(=O)C=CC(C)C 11a_100000229939_100016268746 [0,2,0,0,0,0|1,0,1]=4 11168 B15R0.88 CCCCCCCCNC(=O)C=CC(C)C 1626a_100000229939_100016268746 [0,2,0,0,0,0|1,0,1]=4 11169 B15R0.88 CCCCCCCCNC(=O)C=CC(C)C 240690a_100000229939_100016268746 [0,2,0,0,0,0|1,0,1]=4 11170 B15R0.88 CCCCCCCCNC(=O)CC=C(C)C 11a_100000229939_100011220947 [0,2,0,0,0,0|1,0,1]=4 11171 B15R0.88 CCCCCCCCNC(=O)CC=C(C)C 1626a_100000229939_100011220947 [0,2,0,0,0,0|1,0,1]=4 11172 B15R0.88 CCCCCCCCNC(=O)CC=C(C)C 240690a_100000229939_100011220947 [0,2,0,0,0,0|1,0,1]=4 11173 B15R0.88 CCCCCCCCNC(=O)CC=C(C)C 527a_100000229939_100011220947 [0,2,0,0,0,0|1,0,1]=4 11174 B15R0.88 CCCCCCCCNC(=O)CCC(=O)N 240690a_100000229939_100011215257 [0,2,0,0,0,0|1,0,1]=4 11175 B15R0.88 CCCCCCCCNC(=O)CCC(=O)N 527a_100000229939_100011215257 [0,2,0,0,0,0|1,0,1]=4 11176 B15R0.88 CCCCCCCCNC(=O)CCC(C)C 11a_100000229939_100000181311 [0,2,0,0,0,0|1,0,0]=3 11177 B15R0.88 CCCCCCCCNC(=O)CCC(C)C 1626a_100000229939_100000181311 [0,2,0,0,0,0|1,0,0]=3 11178 B15R0.88 CCCCCCCCNC(=O)CCC(C)C 240690a_100000229939_100000181311 [0,2,0,0,0,0|1,0,0]=3 11179 B15R0.88 CCCCCCCCNC(=O)CCC(C)C 527a_100000229939_100000181311 [0,2,0,0,0,0|1,0,0]=3 11180 B15R0.88 CCCCCCCCNC(=O)CCC(C)O 1626a_100000229939_100000718519 [0,2,0,0,0,0|1,0,0]=3 11181 B15R0.88 CCCCCCCCNC(=O)CCN(C)C 11a_100000229939_100000689311 [0,2,0,0,0,0|1,0,0]=3 11182 B15R0.88 CCCCCCCCNC(=O)CCN(C)C 240690a_100000229939_100000689311 [0,2,0,0,0,0|1,0,0]=3 11183 B15R0.88 CCCCCCCCNC(=O)CCN(C)C 527a_100000229939_100000689311 [0,2,0,0,0,0|1,0,0]=3 11184 B15R0.88 CCCCCCCCNC(=O)CC[N+](=O)[O-] 11a_100000229939_200000064761 [0,2,0,0,0,0|2,0,0]=4 11185 B15R0.88 CCCCCCCCNC(=O)CC[N+](=O)[O-] 1626a_100000229939_200000064761 [0,2,0,0,0,0|2,0,0]=4 11186 B15R0.88 CCCCCCCCNC(=O)CC[N+](=O)[O-] 240690a_100000229939_200000064761 [0,2,0,0,0,0|2,0,0]=4 11187 B15R0.88 CCCCCCCCNC(=O)CC[S+](C)C 11a_100000229939_100009452791 [0,2,0,0,0,0|1,0,0]=3 11188 B15R0.88 CCCCCCCCNC(=O)CC[S+](C)C 1626a_100000229939_100009452791 [0,2,0,0,0,0|1,0,0]=3 11189 B15R0.88 CCCCCCCCNC(=O)CC[S+](C)C 240690a_100000229939_100009452791 [0,2,0,0,0,0|1,0,0]=3 11190 B15R0.88 CCCCCCCCNC(=O)CNC(=O)C 11a_100000229939_100000194580 [0,2,0,0,0,0|1,0,1]=4 11191 B15R0.88 CCCCCCCCNC(=O)CNC(=O)C 1626a_100000229939_100000194580 [0,2,0,0,0,0|1,0,1]=4 11192 B15R0.88 CCCCCCCCNC(=O)CNC(=O)C 240690a_100000229939_100000194580 [0,2,0,0,0,0|1,0,1]=4 11193 B15R0.88 CCCCCCCCNC(=O)CNC(=O)C 527a_100000229939_100000194580 [0,2,0,0,0,0|1,0,1]=4 11194 B15R0.88 CCCCCCCCNC(=O)COC(=O)C 1626a_100000229939_100000183556 [0,2,0,0,0,0|1,0,1]=4 11195 B15R0.88 CCCCCCCCNC(=O)COC(=O)C 240690a_100000229939_100000183556 [0,2,0,0,0,0|1,0,1]=4 11196 B15R0.88 CCCCCCCCNC(=O)COC(=O)C 527a_100000229939_100000183556 [0,2,0,0,0,0|1,0,1]=4 11197 B15R0.88 CCCCCCCCNC(=O)COC(C)C 11a_100000229939_100000745533 [0,2,0,0,0,0|1,0,0]=3 11198 B15R0.88 CCCCCCCCNC(=O)COC(C)C 1626a_100000229939_100000745533 [0,2,0,0,0,0|1,0,0]=3 11199 B15R0.88 CCCCCCCCNC(=O)COC(C)C 240690a_100000229939_100000745533 [0,2,0,0,0,0|1,0,0]=3 11200 B15R0.88 CCCCCCCCNC(=O)COC(C)C 527a_100000229939_100000745533 [0,2,0,0,0,0|1,0,0]=3 11201 B15R0.88 CCCCCCCCNC(=O)COC(F)F 11a_100000229939_200000719455 [0,2,0,0,0,0|2,0,0]=4 11202 B15R0.88 CCCCCCCCNC(=O)COC(F)F 1626a_100000229939_200000719455 [0,2,0,0,0,0|2,0,0]=4 11203 B15R0.88 CCCCCCCCNC(=O)COC(F)F 240690a_100000229939_200000719455 [0,2,0,0,0,0|2,0,0]=4 11204 B15R0.88 CCCCCCCCNC(=O)COC(F)F 527a_100000229939_200000719455 [0,2,0,0,0,0|2,0,0]=4 11205 B15R0.88 CCCCCCCCNC(=O)CSC(=O)C 11a_100000229939_100000049016 [0,2,0,0,0,0|1,0,1]=4 11206 B15R0.88 CCCCCCCCNC(=O)CSC(=O)C 1626a_100000229939_100000049016 [0,2,0,0,0,0|1,0,1]=4 11207 B15R0.88 CCCCCCCCNC(=O)CSC(=O)C 240690a_100000229939_100000049016 [0,2,0,0,0,0|1,0,1]=4 11208 B15R0.88 CCCCCCCCNC(=O)CSC(C)C 11a_100000229939_100000241585 [0,2,0,0,0,0|1,0,0]=3 11209 B15R0.88 CCCCCCCCNC(=O)CSC(C)C 1626a_100000229939_100000241585 [0,2,0,0,0,0|1,0,0]=3 11210 B15R0.88 CCCCCCCCNC(=O)CSC(C)C 240690a_100000229939_100000241585 [0,2,0,0,0,0|1,0,0]=3 11211 B15R0.88 CCCCCCCCNC(=O)CSC(C)C 527a_100000229939_100000241585 [0,2,0,0,0,0|1,0,0]=3 11212 B15R0.88 CCCCCCCCNC(=O)CSC(F)F 11a_100000229939_114828291038 [0,2,0,0,0,0|2,0,0]=4 11213 B15R0.88 CCCCCCCCNC(=O)CSC(F)F 1626a_100000229939_114828291038 [0,2,0,0,0,0|2,0,0]=4 11214 B15R0.88 CCCCCCCCNC(=O)CSC(F)F 240690a_100000229939_114828291038 [0,2,0,0,0,0|2,0,0]=4 11215 B15R0.88 CCCCCCCCNC(=O)CSC(F)F 527a_100000229939_114828291038 [0,2,0,0,0,0|2,0,0]=4 11216 B15R0.88 CCCCCCCCNC(=O)NCC(C)C 2708a_100000210953_100000229939 [0,2,0,0,0,0|1,0,0]=3 11217 B15R0.88 CCCCCCCCNC(=O)NCC(C)C 2708a_100000229939_100000210953 [0,2,0,0,0,0|1,0,0]=3 11218 B15R0.88 CCCCCCCCNC(=O)NCC(C)C 273464a_100000210953_100000229939 [0,2,0,0,0,0|1,0,0]=3 11219 B15R0.88 CCCCCCCCNC(=O)NCC(C)C 273464a_100000229939_100000210953 [0,2,0,0,0,0|1,0,0]=3 11220 B15R0.88 CCCCCCCCNC(=O)NCC(C)C 512a_100000210953_100000229939 [0,2,0,0,0,0|1,0,0]=3 11221 B15R0.88 CCCCCCCCNC(=O)NCC(C)C 512a_100000229939_100000210953 [0,2,0,0,0,0|1,0,0]=3 11222 B15R0.88 CCCCCCCCNC(=O)NCC(C)O 2708a_100000229939_100000210904 [0,2,0,0,0,0|1,0,0]=3 11223 B15R0.88 CCCCCCCCNC(=O)NCC(C)O 273464a_100000210904_100000229939 [0,2,0,0,0,0|1,0,0]=3 11224 B15R0.88 CCCCCCCCNC(=O)NCC(C)O 273464a_100000229939_100000210904 [0,2,0,0,0,0|1,0,0]=3 11225 B15R0.88 CCCCCCCCNC(=O)NCC(C)O 512a_100000210904_100000229939 [0,2,0,0,0,0|1,0,0]=3 11226 B15R0.88 CCCCCCCCNC(=O)NCC(C)O 512a_100000229939_100000210904 [0,2,0,0,0,0|1,0,0]=3 11227 B15R0.88 CCCCCCCCNC(=O)NCC(F)F 2708a_100000229939_100000765723 [0,2,0,0,0,0|2,0,0]=4 11228 B15R0.88 CCCCCCCCNC(=O)NCC(F)F 273464a_100000229939_100000765723 [0,2,0,0,0,0|2,0,0]=4 11229 B15R0.88 CCCCCCCCNC(=O)NCC(F)F 273464a_100000765723_100000229939 [0,2,0,0,0,0|2,0,0]=4 11230 B15R0.88 CCCCCCCCNC(=O)NCC(F)F 512a_100000229939_100000765723 [0,2,0,0,0,0|2,0,0]=4 11231 B15R0.88 CCCCCCCCNC(=O)NCC(F)F 512a_100000765723_100000229939 [0,2,0,0,0,0|2,0,0]=4 11232 B15R0.88 CCCCCCCCNC(=O)NNC(C)C 273464a_100000229939_100000741168 [0,2,0,0,0,0|2,0,0]=4 11233 B15R0.88 CCCCCCCCNC(=O)NNC(C)C 512a_100000229939_100000741168 [0,2,0,0,0,0|2,0,0]=4 11234 B15R0.88 CCCCCCCCNC(=O)NNC(C)C 512a_100000741168_100000229939 [0,2,0,0,0,0|2,0,0]=4 11235 B15R0.88 CCCCCCCCOC(C)CCC(C)C 34a_100000210232_100011261404 [0,2,0,0,0,0|1,0,1]=4 11236 B15R0.88 CCCCCCCCOC(C)CCC(C)C 34a_100011215350_100000210759 [0,2,0,0,0,0|1,0,1]=4 11237 B15R0.88 CCCCCCCCOC(C)CCC(C)C 7a_100011215350_100000210759 [0,2,0,0,0,0|1,0,1]=4 11238 B15R0.88 CCCCCCCNCC(=O)NCC(C)C 2230a_100000229938_100000183291 [0,2,0,0,0,0|2,0,0]=4 11239 B15R0.88 CCCCCCCOCC(=O)NCC(C)C 34a_100000210272_100000183291 [0,2,0,0,0,0|2,0,0]=4 11240 B15R0.88 CCCCCCCOCC(=O)NCC(C)C 7a_100000210272_100000183291 [0,2,0,0,0,0|2,0,0]=4 11241 B15R0.88 CCCCCCCSCC(=O)NCC(C)C 62a_100000183291_100000210316 [0,2,0,0,0,0|2,0,0]=4 11242 B15R0.88 CCCCCCCSCC(=O)NCC(C)C 62a_100000210614_100000183291 [0,2,0,0,0,0|2,0,0]=4 11243 B15R0.88 CCCCCNCCCC(=O)NCC(C)C 2230a_100000209983_100011194448 [0,2,0,0,0,0|2,0,0]=4 11244 B15R0.88 CCCCCOCCCC(=O)NCC(C)C 34a_100000210253_100011194448 [0,2,0,0,0,0|2,0,0]=4 11245 B15R0.88 CCCCCOCCCC(=O)NCC(C)C 7a_100000210253_100011194448 [0,2,0,0,0,0|2,0,0]=4 11246 B15R0.88 CCCCCSCCCC(=O)NCC(C)C 62a_100000210326_100011194448 [0,2,0,0,0,0|2,0,0]=4 11247 B15R0.88 CCCCCSCCCC(=O)NCC(C)C 62a_100011194448_100000210326 [0,2,0,0,0,0|2,0,0]=4 11248 B15R0.88 CCCCOCCCNC(=O)CCC(C)C 1626a_200000211371_100000181311 [0,2,0,0,0,0|2,0,0]=4 11249 B15R0.88 CCCCOCCCNC(=O)CCC(C)C 240690a_200000211371_100000181311 [0,2,0,0,0,0|2,0,0]=4 11250 B15R0.88 CCCCOCCCNC(=O)CCC(C)C 527a_200000211371_100000181311 [0,2,0,0,0,0|2,0,0]=4 11251 B15R0.88 CCCCOCCCNC(=O)CCC(C)O 1626a_200000211371_100000718519 [0,2,0,0,0,0|2,0,0]=4 11252 B15R0.88 CCCCOCCCNC(=O)CCN(C)C 240690a_200000211371_100000689311 [0,2,0,0,0,0|2,0,0]=4 11253 B15R0.88 CCCCOCCCNC(=O)CCN(C)C 527a_200000211371_100000689311 [0,2,0,0,0,0|2,0,0]=4 11254 B15R0.88 CCCCOCCCNC(=O)CC[S+](C)C 1626a_200000211371_100009452791 [0,2,0,0,0,0|2,0,0]=4 11255 B15R0.88 CCCCOCCCNC(=O)CC[S+](C)C 240690a_200000211371_100009452791 [0,2,0,0,0,0|2,0,0]=4 11256 B15R0.88 CCCCOCCCNC(=O)COC(C)C 1626a_200000211371_100000745533 [0,2,0,0,0,0|2,0,0]=4 11257 B15R0.88 CCCCOCCCNC(=O)COC(C)C 240690a_200000211371_100000745533 [0,2,0,0,0,0|2,0,0]=4 11258 B15R0.88 CCCCOCCCNC(=O)COC(C)C 527a_200000211371_100000745533 [0,2,0,0,0,0|2,0,0]=4 11259 B15R0.88 CCCCOCCCNC(=O)CSC(C)C 1626a_200000211371_100000241585 [0,2,0,0,0,0|2,0,0]=4 11260 B15R0.88 CCCCOCCCNC(=O)CSC(C)C 240690a_200000211371_100000241585 [0,2,0,0,0,0|2,0,0]=4 11261 B15R0.88 CCCCOCCCNC(=O)CSC(C)C 527a_200000211371_100000241585 [0,2,0,0,0,0|2,0,0]=4 11262 B15R0.88 CCCCOCCCNC(=O)NCC(C)C 2708a_100000210953_200000211371 [0,2,0,0,0,0|2,0,0]=4 11263 B15R0.88 CCCCOCCCNC(=O)NCC(C)C 2708a_200000211371_100000210953 [0,2,0,0,0,0|2,0,0]=4 11264 B15R0.88 CCCCOCCCNC(=O)NCC(C)C 273464a_100000210953_200000211371 [0,2,0,0,0,0|2,0,0]=4 11265 B15R0.88 CCCCOCCCNC(=O)NCC(C)C 273464a_200000211371_100000210953 [0,2,0,0,0,0|2,0,0]=4 11266 B15R0.88 CCCCOCCCNC(=O)NCC(C)C 512a_100000210953_200000211371 [0,2,0,0,0,0|2,0,0]=4 11267 B15R0.88 CCCCOCCCNC(=O)NCC(C)C 512a_200000211371_100000210953 [0,2,0,0,0,0|2,0,0]=4 11268 B15R0.88 CCCCOCCCNC(=O)NCC(C)O 2708a_200000211371_100000210904 [0,2,0,0,0,0|2,0,0]=4 11269 B15R0.88 CCCCOCCCNC(=O)NCC(C)O 273464a_100000210904_200000211371 [0,2,0,0,0,0|2,0,0]=4 11270 B15R0.88 CCCCOCCCNC(=O)NCC(C)O 273464a_200000211371_100000210904 [0,2,0,0,0,0|2,0,0]=4 11271 B15R0.88 CCCCOCCCNC(=O)NCC(C)O 512a_100000210904_200000211371 [0,2,0,0,0,0|2,0,0]=4 11272 B15R0.88 CCCCOCCCNC(=O)NCC(C)O 512a_200000211371_100000210904 [0,2,0,0,0,0|2,0,0]=4 11273 B15R0.88 CN(C)CCC(=O)NCCCCCCCO 240690a_100011996573_100000689311 [0,2,0,0,0,0|2,0,0]=4 11274 B15R0.88 C[S+](C)CCC(=O)CCCCCCCCO 1458a_100009452791_100000033203 [0,2,0,0,0,0|2,0,0]=4 11275 B15R0.88 C[S+](C)CCC(=O)NCCCCCCCO 240690a_100011996573_100009452791 [0,2,0,0,0,0|2,0,0]=4 11276 B15R0.322 C#CCCCC(=O)C=CCCCCCCC 1458a_200015332781_100000731252 [0,2,0,0,0,0|1,0,1]=4 11277 B15R0.322 C#CCCCC(=O)CCCCCCCCC 1458a_100000210558_100000731252 [0,2,0,0,0,0|1,0,0]=3 11278 B15R0.322 C#CCCCC(=O)CCCCCCCCC 1458a_100000690238_100000210670 [0,2,0,0,0,0|1,0,0]=3 11279 B15R0.322 C#CCCCC(=O)CCCCCCCCO 1458a_100000690238_100000033203 [0,2,0,0,0,0|2,0,0]=4 11280 B15R0.322 C#CCCCC(=O)NCCCCCCCC 11a_100000229939_100000690238 [0,2,0,0,0,0|1,0,0]=3 11281 B15R0.322 C#CCCCC(=O)NCCCCCCCC 1626a_100000229939_100000690238 [0,2,0,0,0,0|1,0,0]=3 11282 B15R0.322 C#CCCCC(=O)NCCCCCCCC 240690a_100000229939_100000690238 [0,2,0,0,0,0|1,0,0]=3 11283 B15R0.322 C#CCCCC(=O)NCCCCCCCC 527a_100000229939_100000690238 [0,2,0,0,0,0|1,0,0]=3 11284 B15R0.322 C#CCCCC(=O)NCCCCCCCO 240690a_100011996573_100000690238 [0,2,0,0,0,0|2,0,0]=4 11285 B15R0.322 C#CCCCC(=O)NCCCOCCCC 1626a_200000211371_100000690238 [0,2,0,0,0,0|2,0,0]=4 11286 B15R0.322 C#CCCCC(=O)NCCCOCCCC 240690a_200000211371_100000690238 [0,2,0,0,0,0|2,0,0]=4 11287 B15R0.322 C#CCCCC(=O)NCCCOCCCC 527a_200000211371_100000690238 [0,2,0,0,0,0|2,0,0]=4 11288 B15R0.322 C#CCCNC(=O)CCCCCCCCC 11a_100000755551_100000210558 [0,2,0,0,0,0|1,0,1]=4 11289 B15R0.322 C#CCCNC(=O)CCCCCCCCC 1626a_100000755551_100000210558 [0,2,0,0,0,0|1,0,1]=4 11290 B15R0.322 C#CCCNC(=O)CCCCCCCCC 240690a_100000755551_100000210558 [0,2,0,0,0,0|1,0,1]=4 11291 B15R0.322 C#CCCNC(=O)CCCCCCCCC 527a_100000755551_100000210558 [0,2,0,0,0,0|1,0,1]=4 11292 B15R0.322 C#CCCNC(=O)NCCCCCCCC 2708a_100000229939_100000755551 [0,2,0,0,0,0|1,0,1]=4 11293 B15R0.322 C#CCCNC(=O)NCCCCCCCC 2708a_100000755551_100000229939 [0,2,0,0,0,0|1,0,1]=4 11294 B15R0.322 C#CCCNC(=O)NCCCCCCCC 273464a_100000229939_100000755551 [0,2,0,0,0,0|1,0,1]=4 11295 B15R0.322 C#CCCNC(=O)NCCCCCCCC 273464a_100000755551_100000229939 [0,2,0,0,0,0|1,0,1]=4 11296 B15R0.322 C#CCCNC(=O)NCCCCCCCC 512a_100000229939_100000755551 [0,2,0,0,0,0|1,0,1]=4 11297 B15R0.322 C#CCCNC(=O)NCCCCCCCC 512a_100000755551_100000229939 [0,2,0,0,0,0|1,0,1]=4 11298 B15R0.322 C#CCOCC(=O)CCCCCCCCC 1458a_100011251226_100000210670 [0,2,0,0,0,0|1,0,1]=4 11299 B15R0.322 C#CCOCC(=O)NCCCCCCCC 11a_100000229939_100011251226 [0,2,0,0,0,0|1,0,1]=4 11300 B15R0.322 C#CCOCC(=O)NCCCCCCCC 1626a_100000229939_100011251226 [0,2,0,0,0,0|1,0,1]=4 11301 B15R0.322 C#CCOCC(=O)NCCCCCCCC 527a_100000229939_100011251226 [0,2,0,0,0,0|1,0,1]=4 11302 B15R0.322 C=CCCCC(=O)C=CCCCCCCC 1458a_200015332781_100000757094 [0,2,0,0,0,0|1,0,1]=4 11303 B15R0.322 C=CCCCC(=O)CCCCCCCCC 1458a_100000210558_100000757094 [0,2,0,0,0,0|1,0,0]=3 11304 B15R0.322 C=CCCCC(=O)CCCCCCCCC 1458a_100000766728_100000210670 [0,2,0,0,0,0|1,0,0]=3 11305 B15R0.322 C=CCCCC(=O)CCCCCCCCO 1458a_100000766728_100000033203 [0,2,0,0,0,0|2,0,0]=4 11306 B15R0.322 C=CCCCC(=O)NCCCCCCCC 11a_100000229939_100000766728 [0,2,0,0,0,0|1,0,0]=3 11307 B15R0.322 C=CCCCC(=O)NCCCCCCCC 1626a_100000229939_100000766728 [0,2,0,0,0,0|1,0,0]=3 11308 B15R0.322 C=CCCCC(=O)NCCCCCCCC 240690a_100000229939_100000766728 [0,2,0,0,0,0|1,0,0]=3 11309 B15R0.322 C=CCCCC(=O)NCCCCCCCC 527a_100000229939_100000766728 [0,2,0,0,0,0|1,0,0]=3 11310 B15R0.322 C=CCCCC(=O)NCCCCCCCO 240690a_100011996573_100000766728 [0,2,0,0,0,0|2,0,0]=4 11311 B15R0.322 C=CCCCC(=O)NCCCOCCCC 1626a_200000211371_100000766728 [0,2,0,0,0,0|2,0,0]=4 11312 B15R0.322 C=CCCCC(=O)NCCCOCCCC 240690a_200000211371_100000766728 [0,2,0,0,0,0|2,0,0]=4 11313 B15R0.322 C=CCCCC(=O)NCCCOCCCC 527a_200000211371_100000766728 [0,2,0,0,0,0|2,0,0]=4 11314 B15R0.322 C=CCCNC(=O)CCCCCCCCC 11a_100015191253_100000210558 [0,2,0,0,0,0|1,0,1]=4 11315 B15R0.322 C=CCCNC(=O)CCCCCCCCC 1626a_100015191253_100000210558 [0,2,0,0,0,0|1,0,1]=4 11316 B15R0.322 C=CCCNC(=O)CCCCCCCCC 240690a_100015191253_100000210558 [0,2,0,0,0,0|1,0,1]=4 11317 B15R0.322 C=CCCNC(=O)CCCCCCCCC 527a_100015191253_100000210558 [0,2,0,0,0,0|1,0,1]=4 11318 B15R0.322 C=CCCNC(=O)NCCCCCCCC 2708a_100000229939_100015191253 [0,2,0,0,0,0|1,0,1]=4 11319 B15R0.322 C=CCCNC(=O)NCCCCCCCC 2708a_100015191253_100000229939 [0,2,0,0,0,0|1,0,1]=4 11320 B15R0.322 C=CCCNC(=O)NCCCCCCCC 273464a_100000229939_100015191253 [0,2,0,0,0,0|1,0,1]=4 11321 B15R0.322 C=CCCNC(=O)NCCCCCCCC 273464a_100015191253_100000229939 [0,2,0,0,0,0|1,0,1]=4 11322 B15R0.322 C=CCCNC(=O)NCCCCCCCC 512a_100000229939_100015191253 [0,2,0,0,0,0|1,0,1]=4 11323 B15R0.322 C=CCCNC(=O)NCCCCCCCC 512a_100015191253_100000229939 [0,2,0,0,0,0|1,0,1]=4 11324 B15R0.322 C=CCSCC(=O)CCCCCCCCC 1458a_100000230395_100000210670 [0,2,0,0,0,0|1,0,1]=4 11325 B15R0.322 C=CCSCC(=O)NCCCCCCCC 11a_100000229939_100000230395 [0,2,0,0,0,0|1,0,1]=4 11326 B15R0.322 C=CCSCC(=O)NCCCCCCCC 1626a_100000229939_100000230395 [0,2,0,0,0,0|1,0,1]=4 11327 B15R0.322 C=CCSCC(=O)NCCCCCCCC 240690a_100000229939_100000230395 [0,2,0,0,0,0|1,0,1]=4 11328 B15R0.322 C=CCSCC(=O)NCCCCCCCC 527a_100000229939_100000230395 [0,2,0,0,0,0|1,0,1]=4 11329 B15R0.322 C=COCCC(=O)CCCCCCCCC 1458a_100000210558_100000039644 [0,2,0,0,0,0|1,0,1]=4 11330 B15R0.322 CC#CCNC(=O)CCCCCCCCC 11a_100000685387_100000210558 [0,2,0,0,0,0|1,0,1]=4 11331 B15R0.322 CC#CCNC(=O)CCCCCCCCC 1626a_100000685387_100000210558 [0,2,0,0,0,0|1,0,1]=4 11332 B15R0.322 CC#CCNC(=O)CCCCCCCCC 527a_100000685387_100000210558 [0,2,0,0,0,0|1,0,1]=4 11333 B15R0.322 CC#CCNC(=O)NCCCCCCCC 2708a_100000229939_100000685387 [0,2,0,0,0,0|1,0,1]=4 11334 B15R0.322 CC#CCNC(=O)NCCCCCCCC 273464a_100000229939_100000685387 [0,2,0,0,0,0|1,0,1]=4 11335 B15R0.322 CC#CCNC(=O)NCCCCCCCC 273464a_100000685387_100000229939 [0,2,0,0,0,0|1,0,1]=4 11336 B15R0.322 CC#CCNC(=O)NCCCCCCCC 512a_100000229939_100000685387 [0,2,0,0,0,0|1,0,1]=4 11337 B15R0.322 CC#CCNC(=O)NCCCCCCCC 512a_100000685387_100000229939 [0,2,0,0,0,0|1,0,1]=4 11338 B15R0.322 CC/C=C/CC(=O)CCCCCCCCC 1458a_100016274230_100000210670 [0,2,0,0,0,0|1,0,0]=3 11339 B15R0.322 CC/C=C/CC(=O)CCCCCCCCO 1458a_100016274230_100000033203 [0,2,0,0,0,0|2,0,0]=4 11340 B15R0.322 CC/C=C/CC(=O)NCCCCCCCC 11a_100000229939_100016274230 [0,2,0,0,0,0|1,0,0]=3 11341 B15R0.322 CC/C=C/CC(=O)NCCCCCCCC 1626a_100000229939_100016274230 [0,2,0,0,0,0|1,0,0]=3 11342 B15R0.322 CC/C=C/CC(=O)NCCCCCCCC 240690a_100000229939_100016274230 [0,2,0,0,0,0|1,0,0]=3 11343 B15R0.322 CC/C=C/CC(=O)NCCCCCCCC 527a_100000229939_100016274230 [0,2,0,0,0,0|1,0,0]=3 11344 B15R0.322 CC/C=C/CC(=O)NCCCCCCCO 240690a_100011996573_100016274230 [0,2,0,0,0,0|2,0,0]=4 11345 B15R0.322 CC/C=C/CC(=O)NCCCOCCCC 1626a_200000211371_100016274230 [0,2,0,0,0,0|2,0,0]=4 11346 B15R0.322 CC/C=C/CC(=O)NCCCOCCCC 240690a_200000211371_100016274230 [0,2,0,0,0,0|2,0,0]=4 11347 B15R0.322 CC/C=C/CC(=O)NCCCOCCCC 527a_200000211371_100016274230 [0,2,0,0,0,0|2,0,0]=4 11348 B15R0.322 CC/C=C\CC(=O)C=CCCCCCCC 1458a_200015332781_100103147603 [0,2,0,0,0,0|1,0,1]=4 11349 B15R0.322 CC/C=C\CC(=O)CCCCCCCCC 1458a_100000210558_100103147603 [0,2,0,0,0,0|1,0,0]=3 11350 B15R0.322 CCC#CCC(=O)C=CCCCCCCC 1458a_200015332781_100009813939 [0,2,0,0,0,0|1,0,1]=4 11351 B15R0.322 CCC#CCC(=O)CCCCCCCCC 1458a_100000210558_100009813939 [0,2,0,0,0,0|1,0,0]=3 11352 B15R0.322 CCC#CCC(C)OCCCCCCCC 34a_200000035118_100000210759 [0,2,0,0,0,0|1,0,1]=4 11353 B15R0.322 CCC#CCC(C)OCCCCCCCC 7a_200000035118_100000210759 [0,2,0,0,0,0|1,0,1]=4 11354 B15R0.322 CCC=NNC(=O)CCCCCCCCC 4a_100011221126_100000210100 [0,2,0,0,0,0|1,0,1]=4 11355 B15R0.322 CCCC#CC(=O)CCCCCCCCC 1458a_200011218047_100000210670 [0,2,0,0,0,0|1,0,0]=3 11356 B15R0.322 CCCC#CC(=O)CCCCCCCCO 1458a_200011218047_100000033203 [0,2,0,0,0,0|2,0,0]=4 11357 B15R0.322 CCCC#CC(=O)NCCCCCCCC 240690a_100000229939_200011218047 [0,2,0,0,0,0|1,0,0]=3 11358 B15R0.322 CCCC#CC(=O)NCCCCCCCO 240690a_100011996573_200011218047 [0,2,0,0,0,0|2,0,0]=4 11359 B15R0.322 CCCC#CC(=O)NCCCOCCCC 240690a_200000211371_200011218047 [0,2,0,0,0,0|2,0,0]=4 11360 B15R0.322 CCCC=CC(=O)CCCCCCCCC 1458a_100000212230_100000210670 [0,2,0,0,0,0|1,0,0]=3 11361 B15R0.322 CCCC=CC(=O)CCCCCCCCO 1458a_100000212230_100000033203 [0,2,0,0,0,0|2,0,0]=4 11362 B15R0.322 CCCC=CC(=O)NCCCCCCCC 11a_100000229939_100000212230 [0,2,0,0,0,0|1,0,0]=3 11363 B15R0.322 CCCC=CC(=O)NCCCCCCCC 1626a_100000229939_100000212230 [0,2,0,0,0,0|1,0,0]=3 11364 B15R0.322 CCCC=CC(=O)NCCCCCCCC 240690a_100000229939_100000212230 [0,2,0,0,0,0|1,0,0]=3 11365 B15R0.322 CCCC=CC(=O)NCCCCCCCO 240690a_100011996573_100000212230 [0,2,0,0,0,0|2,0,0]=4 11366 B15R0.322 CCCC=CC(=O)NCCCOCCCC 1626a_200000211371_100000212230 [0,2,0,0,0,0|2,0,0]=4 11367 B15R0.322 CCCC=CC(=O)NCCCOCCCC 240690a_200000211371_100000212230 [0,2,0,0,0,0|2,0,0]=4 11368 B15R0.322 CCCCCC(=O)CCCCCCCCO 1458a_100000212188_100000033203 [0,2,0,0,0,0|2,0,0]=4 11369 B15R0.322 CCCCCC(=O)NCCCCCCCO 240690a_100011996573_100000212188 [0,2,0,0,0,0|2,0,0]=4 11370 B15R0.322 CCCCCC(=O)NCCCOCCCC 1626a_200000211371_100000212188 [0,2,0,0,0,0|2,0,0]=4 11371 B15R0.322 CCCCCC(=O)NCCCOCCCC 240690a_200000211371_100000212188 [0,2,0,0,0,0|2,0,0]=4 11372 B15R0.322 CCCCCC(=O)NCCCOCCCC 527a_200000211371_100000212188 [0,2,0,0,0,0|2,0,0]=4 11373 B15R0.322 CCCCCCCC=CC(=O)CCCC#N 1458a_200015332781_100000211468 [0,2,0,0,0,0|1,0,1]=4 11374 B15R0.322 CCCCCCCC=CC(=O)CCCCC 1458a_200015332781_100000210326 [0,2,0,0,0,0|1,0,1]=4 11375 B15R0.322 CCCCCCCC=CC(=O)CCCCF 1458a_200015332781_100000729493 [0,2,0,0,0,0|1,0,1]=4 11376 B15R0.322 CCCCCCCC=CC(=O)CCCCO 1458a_200015332781_100000210776 [0,2,0,0,0,0|1,0,1]=4 11377 B15R0.322 CCCCCCCC=CC(=O)CCCOC 1458a_200015332781_100000740836 [0,2,0,0,0,0|1,0,1]=4 11378 B15R0.322 CCCCCCCC=CC(=O)CCOCC 1458a_200015332781_100011215890 [0,2,0,0,0,0|1,0,1]=4 11379 B15R0.322 CCCCCCCC=CC(=O)CCSCC 1458a_200015332781_100000757381 [0,2,0,0,0,0|1,0,1]=4 11380 B15R0.322 CCCCCCCC=CC(=O)NCCCC 11a_100000102301_200015332781 [0,2,0,0,0,0|1,0,1]=4 11381 B15R0.322 CCCCCCCC=CC(=O)NCCCC 1626a_100000102301_200015332781 [0,2,0,0,0,0|1,0,1]=4 11382 B15R0.322 CCCCCCCC=CC(=O)NCCCC 240690a_100000102301_200015332781 [0,2,0,0,0,0|1,0,1]=4 11383 B15R0.322 CCCCCCCC=CC(=O)NCCCF 11a_100015189416_200015332781 [0,2,0,0,0,0|1,0,1]=4 11384 B15R0.322 CCCCCCCC=CC(=O)NCCCF 1626a_100015189416_200015332781 [0,2,0,0,0,0|1,0,1]=4 11385 B15R0.322 CCCCCCCC=CC(=O)NCCCF 240690a_100015189416_200015332781 [0,2,0,0,0,0|1,0,1]=4 11386 B15R0.322 CCCCCCCC=CC(=O)NCCCO 240690a_100000182051_200015332781 [0,2,0,0,0,0|1,0,1]=4 11387 B15R0.322 CCCCCCCC=CC(=O)NCCOC 1626a_100000209980_200015332781 [0,2,0,0,0,0|1,0,1]=4 11388 B15R0.322 CCCCCCCC=CC(=O)NCCOC 240690a_100000209980_200015332781 [0,2,0,0,0,0|1,0,1]=4 11389 B15R0.322 CCCCCCCC=CC(=O)NCCSC 11a_100020590264_200015332781 [0,2,0,0,0,0|1,0,1]=4 11390 B15R0.322 CCCCCCCC=CC(=O)NCCSC 1626a_100020590264_200015332781 [0,2,0,0,0,0|1,0,1]=4 11391 B15R0.322 CCCCCCCC=CC(=O)NCCSC 240690a_100020590264_200015332781 [0,2,0,0,0,0|1,0,1]=4 11392 B15R0.322 CCCCCCCC=CC(=O)NNCCC 22a_100000740057_200015332781 [0,2,0,0,0,0|1,0,1]=4 11393 B15R0.322 CCCCCCCCCC(=NNCCC)C 4a_100000740057_100011215753 [0,2,0,0,0,0|2,0,0]=4 11394 B15R0.322 CCCCCCCCCC(=O)C=CCOC 1458a_100016285016_100000210670 [0,2,0,0,0,0|1,0,1]=4 11395 B15R0.322 CCCCCCCCCC(=O)C=COCC 1458a_100016266692_100000210670 [0,2,0,0,0,0|1,0,1]=4 11396 B15R0.322 CCCCCCCCCC(=O)CC#CCO 1458a_100000210558_200000047223 [0,2,0,0,0,0|1,0,1]=4 11397 B15R0.322 CCCCCCCCCC(=O)CCCC#N 1458a_100000075515_100000210670 [0,2,0,0,0,0|1,0,0]=3 11398 B15R0.322 CCCCCCCCCC(=O)CCCC#N 1458a_100000210558_100000211468 [0,2,0,0,0,0|1,0,0]=3 11399 B15R0.322 CCCCCCCCCC(=O)CCCCC 1458a_100000210558_100000210326 [0,2,0,0,0,0|1,0,0]=3 11400 B15R0.322 CCCCCCCCCC(=O)CCCCC 1458a_100000212188_100000210670 [0,2,0,0,0,0|1,0,0]=3 11401 B15R0.322 CCCCCCCCCC(=O)CCCCF 1458a_100000210558_100000729493 [0,2,0,0,0,0|1,0,0]=3 11402 B15R0.322 CCCCCCCCCC(=O)CCCCO 1458a_100000210558_100000210776 [0,2,0,0,0,0|1,0,0]=3 11403 B15R0.322 CCCCCCCCCC(=O)CCCCO 1458a_100000695505_100000210670 [0,2,0,0,0,0|1,0,0]=3 11404 B15R0.322 CCCCCCCCCC(=O)CCCOC 1458a_100000210558_100000740836 [0,2,0,0,0,0|1,0,0]=3 11405 B15R0.322 CCCCCCCCCC(=O)CCCOC 1458a_100000741012_100000210670 [0,2,0,0,0,0|1,0,0]=3 11406 B15R0.322 CCCCCCCCCC(=O)CCCSC 1458a_100000173376_100000210670 [0,2,0,0,0,0|1,0,0]=3 11407 B15R0.322 CCCCCCCCCC(=O)CCN=[N+]=[N-] 1458a_100000688302_100000210670 [0,2,0,0,0,0|2,0,0]=4 11408 B15R0.322 CCCCCCCCCC(=O)CCOCC 1458a_100000210558_100011215890 [0,2,0,0,0,0|1,0,0]=3 11409 B15R0.322 CCCCCCCCCC(=O)CCOCC 1458a_100000749530_100000210670 [0,2,0,0,0,0|1,0,0]=3 11410 B15R0.322 CCCCCCCCCC(=O)CCSCC 1458a_100000210558_100000757381 [0,2,0,0,0,0|1,0,0]=3 11411 B15R0.322 CCCCCCCCCC(=O)CCSCC 1458a_100000230768_100000210670 [0,2,0,0,0,0|1,0,0]=3 11412 B15R0.322 CCCCCCCCCC(=O)COCCC 1458a_100000745993_100000210670 [0,2,0,0,0,0|1,0,0]=3 11413 B15R0.322 CCCCCCCCCC(=O)COCCO 1458a_100000708028_100000210670 [0,2,0,0,0,0|1,0,0]=3 11414 B15R0.322 CCCCCCCCCC(=O)CSCC#N 1458a_100000150266_100000210670 [0,2,0,0,0,0|1,0,1]=4 11415 B15R0.322 CCCCCCCCCC(=O)CSCCC 1458a_100000217233_100000210670 [0,2,0,0,0,0|1,0,0]=3 11416 B15R0.322 CCCCCCCCCC(=O)NCCC#N 11a_100000720768_100000210558 [0,2,0,0,0,0|1,0,1]=4 11417 B15R0.322 CCCCCCCCCC(=O)NCCC#N 1626a_100000720768_100000210558 [0,2,0,0,0,0|1,0,1]=4 11418 B15R0.322 CCCCCCCCCC(=O)NCCC#N 240690a_100000720768_100000210558 [0,2,0,0,0,0|1,0,1]=4 11419 B15R0.322 CCCCCCCCCC(=O)NCCC#N 527a_100000720768_100000210558 [0,2,0,0,0,0|1,0,1]=4 11420 B15R0.322 CCCCCCCCCC(=O)NCCCC 11a_100000102301_100000210558 [0,2,0,0,0,0|1,0,0]=3 11421 B15R0.322 CCCCCCCCCC(=O)NCCCC 1626a_100000102301_100000210558 [0,2,0,0,0,0|1,0,0]=3 11422 B15R0.322 CCCCCCCCCC(=O)NCCCC 240690a_100000102301_100000210558 [0,2,0,0,0,0|1,0,0]=3 11423 B15R0.322 CCCCCCCCCC(=O)NCCCC 527a_100000102301_100000210558 [0,2,0,0,0,0|1,0,0]=3 11424 B15R0.322 CCCCCCCCCC(=O)NCCCF 11a_100015189416_100000210558 [0,2,0,0,0,0|1,0,0]=3 11425 B15R0.322 CCCCCCCCCC(=O)NCCCF 1626a_100015189416_100000210558 [0,2,0,0,0,0|1,0,0]=3 11426 B15R0.322 CCCCCCCCCC(=O)NCCCF 240690a_100015189416_100000210558 [0,2,0,0,0,0|1,0,0]=3 11427 B15R0.322 CCCCCCCCCC(=O)NCCCF 527a_100015189416_100000210558 [0,2,0,0,0,0|1,0,0]=3 11428 B15R0.322 CCCCCCCCCC(=O)NCCCO 240690a_100000182051_100000210558 [0,2,0,0,0,0|1,0,0]=3 11429 B15R0.322 CCCCCCCCCC(=O)NCCCO 527a_100000182051_100000210558 [0,2,0,0,0,0|1,0,0]=3 11430 B15R0.322 CCCCCCCCCC(=O)NCCOC 1626a_100000209980_100000210558 [0,2,0,0,0,0|1,0,0]=3 11431 B15R0.322 CCCCCCCCCC(=O)NCCOC 240690a_100000209980_100000210558 [0,2,0,0,0,0|1,0,0]=3 11432 B15R0.322 CCCCCCCCCC(=O)NCCOC 527a_100000209980_100000210558 [0,2,0,0,0,0|1,0,0]=3 11433 B15R0.322 CCCCCCCCCC(=O)NCCSC 11a_100020590264_100000210558 [0,2,0,0,0,0|1,0,0]=3 11434 B15R0.322 CCCCCCCCCC(=O)NCCSC 1626a_100020590264_100000210558 [0,2,0,0,0,0|1,0,0]=3 11435 B15R0.322 CCCCCCCCCC(=O)NCCSC 240690a_100020590264_100000210558 [0,2,0,0,0,0|1,0,0]=3 11436 B15R0.322 CCCCCCCCCC(=O)NCCSC 527a_100020590264_100000210558 [0,2,0,0,0,0|1,0,0]=3 11437 B15R0.322 CCCCCCCCCC(=O)NNCCC 22a_100000740057_100000210558 [0,2,0,0,0,0|1,0,0]=3 11438 B15R0.322 CCCCCCCCCC(=O)NNCCO 22a_100000210001_100000210558 [0,2,0,0,0,0|2,0,0]=4 11439 B15R0.322 CCCCCCCCCC(=O)OCNCC 2230a_100015525214_200010990708 [0,2,0,0,0,0|1,0,0]=3 11440 B15R0.322 CCCCCCCCCC(=O)OCOCC 34a_100121572206_200010990708 [0,2,0,0,0,0|1,0,0]=3 11441 B15R0.322 CCCCCCCCCC(=O)OCSCC 62a_100000210202_200010990708 [0,2,0,0,0,0|1,0,0]=3 11442 B15R0.322 CCCCCCCCCC(=O)OCSCF 62a_100015361967_200010990708 [0,2,0,0,0,0|2,0,0]=4 11443 B15R0.322 CCCCCCCCNC(=O)C=CCOC 11a_100000229939_100016285016 [0,2,0,0,0,0|1,0,1]=4 11444 B15R0.322 CCCCCCCCNC(=O)C=CCOC 1626a_100000229939_100016285016 [0,2,0,0,0,0|1,0,1]=4 11445 B15R0.322 CCCCCCCCNC(=O)C=CCOC 240690a_100000229939_100016285016 [0,2,0,0,0,0|1,0,1]=4 11446 B15R0.322 CCCCCCCCNC(=O)C=COCC 11a_100000229939_100016266692 [0,2,0,0,0,0|1,0,1]=4 11447 B15R0.322 CCCCCCCCNC(=O)C=COCC 1626a_100000229939_100016266692 [0,2,0,0,0,0|1,0,1]=4 11448 B15R0.322 CCCCCCCCNC(=O)C=COCC 240690a_100000229939_100016266692 [0,2,0,0,0,0|1,0,1]=4 11449 B15R0.322 CCCCCCCCNC(=O)CCCC#N 11a_100000229939_100000075515 [0,2,0,0,0,0|1,0,0]=3 11450 B15R0.322 CCCCCCCCNC(=O)CCCC#N 1626a_100000229939_100000075515 [0,2,0,0,0,0|1,0,0]=3 11451 B15R0.322 CCCCCCCCNC(=O)CCCC#N 240690a_100000229939_100000075515 [0,2,0,0,0,0|1,0,0]=3 11452 B15R0.322 CCCCCCCCNC(=O)CCCC#N 527a_100000229939_100000075515 [0,2,0,0,0,0|1,0,0]=3 11453 B15R0.322 CCCCCCCCNC(=O)CCCCC 11a_100000229939_100000212188 [0,2,0,0,0,0|1,0,0]=3 11454 B15R0.322 CCCCCCCCNC(=O)CCCCC 1626a_100000229939_100000212188 [0,2,0,0,0,0|1,0,0]=3 11455 B15R0.322 CCCCCCCCNC(=O)CCCCC 240690a_100000229939_100000212188 [0,2,0,0,0,0|1,0,0]=3 11456 B15R0.322 CCCCCCCCNC(=O)CCCCC 527a_100000229939_100000212188 [0,2,0,0,0,0|1,0,0]=3 11457 B15R0.322 CCCCCCCCNC(=O)CCCCO 1626a_100000229939_100000695505 [0,2,0,0,0,0|1,0,0]=3 11458 B15R0.322 CCCCCCCCNC(=O)CCCOC 11a_100000229939_100000741012 [0,2,0,0,0,0|1,0,0]=3 11459 B15R0.322 CCCCCCCCNC(=O)CCCOC 1626a_100000229939_100000741012 [0,2,0,0,0,0|1,0,0]=3 11460 B15R0.322 CCCCCCCCNC(=O)CCCOC 240690a_100000229939_100000741012 [0,2,0,0,0,0|1,0,0]=3 11461 B15R0.322 CCCCCCCCNC(=O)CCCOC 527a_100000229939_100000741012 [0,2,0,0,0,0|1,0,0]=3 11462 B15R0.322 CCCCCCCCNC(=O)CCCSC 11a_100000229939_100000173376 [0,2,0,0,0,0|1,0,0]=3 11463 B15R0.322 CCCCCCCCNC(=O)CCCSC 1626a_100000229939_100000173376 [0,2,0,0,0,0|1,0,0]=3 11464 B15R0.322 CCCCCCCCNC(=O)CCCSC 240690a_100000229939_100000173376 [0,2,0,0,0,0|1,0,0]=3 11465 B15R0.322 CCCCCCCCNC(=O)CCCSC 527a_100000229939_100000173376 [0,2,0,0,0,0|1,0,0]=3 11466 B15R0.322 CCCCCCCCNC(=O)CCN=[N+]=[N-] 11a_100000229939_100000688302 [0,2,0,0,0,0|2,0,0]=4 11467 B15R0.322 CCCCCCCCNC(=O)CCN=[N+]=[N-] 240690a_100000229939_100000688302 [0,2,0,0,0,0|2,0,0]=4 11468 B15R0.322 CCCCCCCCNC(=O)CCOCC 11a_100000229939_100000749530 [0,2,0,0,0,0|1,0,0]=3 11469 B15R0.322 CCCCCCCCNC(=O)CCOCC 1626a_100000229939_100000749530 [0,2,0,0,0,0|1,0,0]=3 11470 B15R0.322 CCCCCCCCNC(=O)CCOCC 240690a_100000229939_100000749530 [0,2,0,0,0,0|1,0,0]=3 11471 B15R0.322 CCCCCCCCNC(=O)CCOCC 527a_100000229939_100000749530 [0,2,0,0,0,0|1,0,0]=3 11472 B15R0.322 CCCCCCCCNC(=O)CCSCC 11a_100000229939_100000230768 [0,2,0,0,0,0|1,0,0]=3 11473 B15R0.322 CCCCCCCCNC(=O)CCSCC 1626a_100000229939_100000230768 [0,2,0,0,0,0|1,0,0]=3 11474 B15R0.322 CCCCCCCCNC(=O)CCSCC 240690a_100000229939_100000230768 [0,2,0,0,0,0|1,0,0]=3 11475 B15R0.322 CCCCCCCCNC(=O)CCSCC 527a_100000229939_100000230768 [0,2,0,0,0,0|1,0,0]=3 11476 B15R0.322 CCCCCCCCNC(=O)COCCC 11a_100000229939_100000745993 [0,2,0,0,0,0|1,0,0]=3 11477 B15R0.322 CCCCCCCCNC(=O)COCCC 1626a_100000229939_100000745993 [0,2,0,0,0,0|1,0,0]=3 11478 B15R0.322 CCCCCCCCNC(=O)COCCC 240690a_100000229939_100000745993 [0,2,0,0,0,0|1,0,0]=3 11479 B15R0.322 CCCCCCCCNC(=O)COCCC 527a_100000229939_100000745993 [0,2,0,0,0,0|1,0,0]=3 11480 B15R0.322 CCCCCCCCNC(=O)COCCO 1626a_100000229939_100000708028 [0,2,0,0,0,0|1,0,0]=3 11481 B15R0.322 CCCCCCCCNC(=O)COCCO 240690a_100000229939_100000708028 [0,2,0,0,0,0|1,0,0]=3 11482 B15R0.322 CCCCCCCCNC(=O)CSCC#N 11a_100000229939_100000150266 [0,2,0,0,0,0|1,0,1]=4 11483 B15R0.322 CCCCCCCCNC(=O)CSCC#N 1626a_100000229939_100000150266 [0,2,0,0,0,0|1,0,1]=4 11484 B15R0.322 CCCCCCCCNC(=O)CSCC#N 240690a_100000229939_100000150266 [0,2,0,0,0,0|1,0,1]=4 11485 B15R0.322 CCCCCCCCNC(=O)CSCCC 11a_100000229939_100000217233 [0,2,0,0,0,0|1,0,0]=3 11486 B15R0.322 CCCCCCCCNC(=O)CSCCC 1626a_100000229939_100000217233 [0,2,0,0,0,0|1,0,0]=3 11487 B15R0.322 CCCCCCCCNC(=O)CSCCC 240690a_100000229939_100000217233 [0,2,0,0,0,0|1,0,0]=3 11488 B15R0.322 CCCCCCCCNC(=O)CSCCC 527a_100000229939_100000217233 [0,2,0,0,0,0|1,0,0]=3 11489 B15R0.322 CCCCCCCCNC(=O)NCCC#N 2708a_100000229939_100000720768 [0,2,0,0,0,0|1,0,1]=4 11490 B15R0.322 CCCCCCCCNC(=O)NCCC#N 2708a_100000720768_100000229939 [0,2,0,0,0,0|1,0,1]=4 11491 B15R0.322 CCCCCCCCNC(=O)NCCC#N 273464a_100000229939_100000720768 [0,2,0,0,0,0|1,0,1]=4 11492 B15R0.322 CCCCCCCCNC(=O)NCCC#N 273464a_100000720768_100000229939 [0,2,0,0,0,0|1,0,1]=4 11493 B15R0.322 CCCCCCCCNC(=O)NCCC#N 512a_100000229939_100000720768 [0,2,0,0,0,0|1,0,1]=4 11494 B15R0.322 CCCCCCCCNC(=O)NCCC#N 512a_100000720768_100000229939 [0,2,0,0,0,0|1,0,1]=4 11495 B15R0.322 CCCCCCCCNC(=O)NCCCC 2708a_100000102301_100000229939 [0,2,0,0,0,0|1,0,0]=3 11496 B15R0.322 CCCCCCCCNC(=O)NCCCC 2708a_100000229939_100000102301 [0,2,0,0,0,0|1,0,0]=3 11497 B15R0.322 CCCCCCCCNC(=O)NCCCC 273464a_100000102301_100000229939 [0,2,0,0,0,0|1,0,0]=3 11498 B15R0.322 CCCCCCCCNC(=O)NCCCC 273464a_100000229939_100000102301 [0,2,0,0,0,0|1,0,0]=3 11499 B15R0.322 CCCCCCCCNC(=O)NCCCC 512a_100000102301_100000229939 [0,2,0,0,0,0|1,0,0]=3 11500 B15R0.322 CCCCCCCCNC(=O)NCCCC 512a_100000229939_100000102301 [0,2,0,0,0,0|1,0,0]=3 11501 B15R0.322 CCCCCCCCNC(=O)NCCCF 2708a_100000229939_100015189416 [0,2,0,0,0,0|1,0,0]=3 11502 B15R0.322 CCCCCCCCNC(=O)NCCCF 2708a_100015189416_100000229939 [0,2,0,0,0,0|1,0,0]=3 11503 B15R0.322 CCCCCCCCNC(=O)NCCCF 273464a_100000229939_100015189416 [0,2,0,0,0,0|1,0,0]=3 11504 B15R0.322 CCCCCCCCNC(=O)NCCCF 273464a_100015189416_100000229939 [0,2,0,0,0,0|1,0,0]=3 11505 B15R0.322 CCCCCCCCNC(=O)NCCCF 512a_100000229939_100015189416 [0,2,0,0,0,0|1,0,0]=3 11506 B15R0.322 CCCCCCCCNC(=O)NCCCF 512a_100015189416_100000229939 [0,2,0,0,0,0|1,0,0]=3 11507 B15R0.322 CCCCCCCCNC(=O)NCCCO 2708a_100000229939_100000182051 [0,2,0,0,0,0|1,0,0]=3 11508 B15R0.322 CCCCCCCCNC(=O)NCCCO 273464a_100000182051_100000229939 [0,2,0,0,0,0|1,0,0]=3 11509 B15R0.322 CCCCCCCCNC(=O)NCCCO 273464a_100000229939_100000182051 [0,2,0,0,0,0|1,0,0]=3 11510 B15R0.322 CCCCCCCCNC(=O)NCCCO 512a_100000229939_100000182051 [0,2,0,0,0,0|1,0,0]=3 11511 B15R0.322 CCCCCCCCNC(=O)NCCOC 2708a_100000229939_100000209980 [0,2,0,0,0,0|1,0,0]=3 11512 B15R0.322 CCCCCCCCNC(=O)NCCOC 273464a_100000209980_100000229939 [0,2,0,0,0,0|1,0,0]=3 11513 B15R0.322 CCCCCCCCNC(=O)NCCOC 273464a_100000229939_100000209980 [0,2,0,0,0,0|1,0,0]=3 11514 B15R0.322 CCCCCCCCNC(=O)NCCSC 2708a_100000229939_100020590264 [0,2,0,0,0,0|1,0,0]=3 11515 B15R0.322 CCCCCCCCNC(=O)NCCSC 2708a_100020590264_100000229939 [0,2,0,0,0,0|1,0,0]=3 11516 B15R0.322 CCCCCCCCNC(=O)NCCSC 273464a_100000229939_100020590264 [0,2,0,0,0,0|1,0,0]=3 11517 B15R0.322 CCCCCCCCNC(=O)NCCSC 273464a_100020590264_100000229939 [0,2,0,0,0,0|1,0,0]=3 11518 B15R0.322 CCCCCCCCNC(=O)NCCSC 512a_100000229939_100020590264 [0,2,0,0,0,0|1,0,0]=3 11519 B15R0.322 CCCCCCCCNC(=O)NCCSC 512a_100020590264_100000229939 [0,2,0,0,0,0|1,0,0]=3 11520 B15R0.322 CCCCCCCCNC(=O)NNCCC 273464a_100000229939_100000740057 [0,2,0,0,0,0|1,0,0]=3 11521 B15R0.322 CCCCCCCCNC(=O)NNCCC 512a_100000229939_100000740057 [0,2,0,0,0,0|1,0,0]=3 11522 B15R0.322 CCCCCCCCNC(=O)NNCCC 512a_100000740057_100000229939 [0,2,0,0,0,0|1,0,0]=3 11523 B15R0.322 CCCCCCCCNC(=O)NNCCO 273464a_100000229939_100000210001 [0,2,0,0,0,0|2,0,0]=4 11524 B15R0.322 CCCCCCCCNC(=O)NNCCO 512a_100000229939_100000210001 [0,2,0,0,0,0|2,0,0]=4 11525 B15R0.322 CCCCCCCCOC(C)CCCCC 34a_100000210232_200011218191 [0,2,0,0,0,0|1,0,1]=4 11526 B15R0.322 CCCCCCCCOC(C)CCCCC 34a_100011215632_100000210759 [0,2,0,0,0,0|1,0,1]=4 11527 B15R0.322 CCCCCCCCOC(C)CCCCC 7a_100000210232_200011218191 [0,2,0,0,0,0|1,0,1]=4 11528 B15R0.322 CCCCCCCCOC(C)CCCCC 7a_100011215632_100000210759 [0,2,0,0,0,0|1,0,1]=4 11529 B15R0.322 CCCCCCCCOC(C)CCCOC 34a_200011539412_100000210759 [0,2,0,0,0,0|1,0,1]=4 11530 B15R0.322 CCCCCCCCOC(C)CCCOC 7a_200011539412_100000210759 [0,2,0,0,0,0|1,0,1]=4 11531 B15R0.322 CCCCCCCNCC(=O)CCCCC 2230a_100000229938_200012276598 [0,2,0,0,0,0|2,0,0]=4 11532 B15R0.322 CCCCCCCNCC(=O)NCCCC 2230a_100000229938_100000182744 [0,2,0,0,0,0|2,0,0]=4 11533 B15R0.322 CCCCCCCNCC(=O)NCCOC 2230a_100000229938_100000183275 [0,2,0,0,0,0|2,0,0]=4 11534 B15R0.322 CCCCCCCNCC(=O)NCCOC 2230a_100000754632_100000210681 [0,2,0,0,0,0|2,0,0]=4 11535 B15R0.322 CCCCCCCNCC(=O)OCCCC 2230a_100000229938_100000211628 [0,2,0,0,0,0|2,0,0]=4 11536 B15R0.322 CCCCCCCNCC(=O)OCCOC 2230a_100000229938_200000040189 [0,2,0,0,0,0|2,0,0]=4 11537 B15R0.322 CCCCCCCOCC(=O)CCCCC 34a_100000210272_200012276598 [0,2,0,0,0,0|2,0,0]=4 11538 B15R0.322 CCCCCCCOCC(=O)CCCCC 7a_100000210272_200012276598 [0,2,0,0,0,0|2,0,0]=4 11539 B15R0.322 CCCCCCCOCC(=O)NCCCC 34a_100000210272_100000182744 [0,2,0,0,0,0|2,0,0]=4 11540 B15R0.322 CCCCCCCOCC(=O)NCCCC 7a_100000210272_100000182744 [0,2,0,0,0,0|2,0,0]=4 11541 B15R0.322 CCCCCCCOCC(=O)NCCOC 34a_100000210272_100000183275 [0,2,0,0,0,0|2,0,0]=4 11542 B15R0.322 CCCCCCCOCC(=O)NCCOC 7a_100000210272_100000183275 [0,2,0,0,0,0|2,0,0]=4 11543 B15R0.322 CCCCCCCOCC(=O)OCCCC 34a_100000210272_100000211628 [0,2,0,0,0,0|2,0,0]=4 11544 B15R0.322 CCCCCCCOCC(=O)OCCCC 7a_100000210272_100000211628 [0,2,0,0,0,0|2,0,0]=4 11545 B15R0.322 CCCCCCCOCC(=O)OCCOC 34a_100000210272_200000040189 [0,2,0,0,0,0|2,0,0]=4 11546 B15R0.322 CCCCCCCOCC(=O)OCCOC 7a_100000210272_200000040189 [0,2,0,0,0,0|2,0,0]=4 11547 B15R0.322 CCCCCCCSCC(=O)CCCCC 62a_100000210614_200012276598 [0,2,0,0,0,0|2,0,0]=4 11548 B15R0.322 CCCCCCCSCC(=O)CCCCC 62a_200012276598_100000210316 [0,2,0,0,0,0|2,0,0]=4 11549 B15R0.322 CCCCCCCSCC(=O)NCCCC 62a_100000182744_100000210316 [0,2,0,0,0,0|2,0,0]=4 11550 B15R0.322 CCCCCCCSCC(=O)NCCCC 62a_100000210614_100000182744 [0,2,0,0,0,0|2,0,0]=4 11551 B15R0.322 CCCCCCCSCC(=O)NCCOC 62a_100000183275_100000210316 [0,2,0,0,0,0|2,0,0]=4 11552 B15R0.322 CCCCCCCSCC(=O)NCCOC 62a_100000210614_100000183275 [0,2,0,0,0,0|2,0,0]=4 11553 B15R0.322 CCCCCCCSCC(=O)OCCCC 62a_100000210614_100000211628 [0,2,0,0,0,0|2,0,0]=4 11554 B15R0.322 CCCCCCCSCC(=O)OCCCC 62a_100000211628_100000210316 [0,2,0,0,0,0|2,0,0]=4 11555 B15R0.322 CCCCCCCSCC(=O)OCCOC 62a_100000210614_200000040189 [0,2,0,0,0,0|2,0,0]=4 11556 B15R0.322 CCCCCCCSCC(=O)OCCOC 62a_200000040189_100000210316 [0,2,0,0,0,0|2,0,0]=4 11557 B15R0.322 CCCCNC(=O)CCCCCCCCO 240690a_100000102301_100000015970 [0,2,0,0,0,0|2,0,0]=4 11558 B15R0.322 CCCCNC(=O)NCCCCCCCO 2708a_100000102301_100011996573 [0,2,0,0,0,0|2,0,0]=4 11559 B15R0.322 CCCCNC(=O)NCCCCCCCO 2708a_100011996573_100000102301 [0,2,0,0,0,0|2,0,0]=4 11560 B15R0.322 CCCCNC(=O)NCCCCCCCO 273464a_100000102301_100011996573 [0,2,0,0,0,0|2,0,0]=4 11561 B15R0.322 CCCCNC(=O)NCCCCCCCO 273464a_100011996573_100000102301 [0,2,0,0,0,0|2,0,0]=4 11562 B15R0.322 CCCCNC(=O)NCCCCCCCO 512a_100000102301_100011996573 [0,2,0,0,0,0|2,0,0]=4 11563 B15R0.322 CCCCNC(=O)NCCCCCCCO 512a_100011996573_100000102301 [0,2,0,0,0,0|2,0,0]=4 11564 B15R0.322 CCCCNC(=O)NCCCOCCCC 2708a_100000102301_200000211371 [0,2,0,0,0,0|2,0,0]=4 11565 B15R0.322 CCCCNC(=O)NCCCOCCCC 2708a_200000211371_100000102301 [0,2,0,0,0,0|2,0,0]=4 11566 B15R0.322 CCCCNC(=O)NCCCOCCCC 273464a_100000102301_200000211371 [0,2,0,0,0,0|2,0,0]=4 11567 B15R0.322 CCCCNC(=O)NCCCOCCCC 273464a_200000211371_100000102301 [0,2,0,0,0,0|2,0,0]=4 11568 B15R0.322 CCCCNC(=O)NCCCOCCCC 512a_100000102301_200000211371 [0,2,0,0,0,0|2,0,0]=4 11569 B15R0.322 CCCCNC(=O)NCCCOCCCC 512a_200000211371_100000102301 [0,2,0,0,0,0|2,0,0]=4 11570 B15R0.322 CCCCOCCCNC(=O)CCCC#N 1626a_200000211371_100000075515 [0,2,0,0,0,0|2,0,0]=4 11571 B15R0.322 CCCCOCCCNC(=O)CCCC#N 240690a_200000211371_100000075515 [0,2,0,0,0,0|2,0,0]=4 11572 B15R0.322 CCCCOCCCNC(=O)CCCC#N 527a_200000211371_100000075515 [0,2,0,0,0,0|2,0,0]=4 11573 B15R0.322 CCCCOCCCNC(=O)CCCCO 1626a_200000211371_100000695505 [0,2,0,0,0,0|2,0,0]=4 11574 B15R0.322 CCCCOCCCNC(=O)CCCOC 1626a_200000211371_100000741012 [0,2,0,0,0,0|2,0,0]=4 11575 B15R0.322 CCCCOCCCNC(=O)CCCOC 240690a_200000211371_100000741012 [0,2,0,0,0,0|2,0,0]=4 11576 B15R0.322 CCCCOCCCNC(=O)CCCOC 527a_200000211371_100000741012 [0,2,0,0,0,0|2,0,0]=4 11577 B15R0.322 CCCCOCCCNC(=O)CCCSC 1626a_200000211371_100000173376 [0,2,0,0,0,0|2,0,0]=4 11578 B15R0.322 CCCCOCCCNC(=O)CCCSC 240690a_200000211371_100000173376 [0,2,0,0,0,0|2,0,0]=4 11579 B15R0.322 CCCCOCCCNC(=O)CCCSC 527a_200000211371_100000173376 [0,2,0,0,0,0|2,0,0]=4 11580 B15R0.322 CCCCOCCCNC(=O)CCOCC 1626a_200000211371_100000749530 [0,2,0,0,0,0|2,0,0]=4 11581 B15R0.322 CCCCOCCCNC(=O)CCOCC 240690a_200000211371_100000749530 [0,2,0,0,0,0|2,0,0]=4 11582 B15R0.322 CCCCOCCCNC(=O)CCOCC 527a_200000211371_100000749530 [0,2,0,0,0,0|2,0,0]=4 11583 B15R0.322 CCCCOCCCNC(=O)CCSCC 1626a_200000211371_100000230768 [0,2,0,0,0,0|2,0,0]=4 11584 B15R0.322 CCCCOCCCNC(=O)CCSCC 240690a_200000211371_100000230768 [0,2,0,0,0,0|2,0,0]=4 11585 B15R0.322 CCCCOCCCNC(=O)CCSCC 527a_200000211371_100000230768 [0,2,0,0,0,0|2,0,0]=4 11586 B15R0.322 CCCCOCCCNC(=O)COCCC 1626a_200000211371_100000745993 [0,2,0,0,0,0|2,0,0]=4 11587 B15R0.322 CCCCOCCCNC(=O)COCCC 240690a_200000211371_100000745993 [0,2,0,0,0,0|2,0,0]=4 11588 B15R0.322 CCCCOCCCNC(=O)COCCC 527a_200000211371_100000745993 [0,2,0,0,0,0|2,0,0]=4 11589 B15R0.322 CCCCOCCCNC(=O)COCCO 1626a_200000211371_100000708028 [0,2,0,0,0,0|2,0,0]=4 11590 B15R0.322 CCCCOCCCNC(=O)COCCO 240690a_200000211371_100000708028 [0,2,0,0,0,0|2,0,0]=4 11591 B15R0.322 CCCCOCCCNC(=O)CSCCC 1626a_200000211371_100000217233 [0,2,0,0,0,0|2,0,0]=4 11592 B15R0.322 CCCCOCCCNC(=O)CSCCC 240690a_200000211371_100000217233 [0,2,0,0,0,0|2,0,0]=4 11593 B15R0.322 CCCCOCCCNC(=O)CSCCC 527a_200000211371_100000217233 [0,2,0,0,0,0|2,0,0]=4 11594 B15R0.322 CCCCOCCCNC(=O)NCCCF 2708a_100015189416_200000211371 [0,2,0,0,0,0|2,0,0]=4 11595 B15R0.322 CCCCOCCCNC(=O)NCCCF 2708a_200000211371_100015189416 [0,2,0,0,0,0|2,0,0]=4 11596 B15R0.322 CCCCOCCCNC(=O)NCCCF 273464a_100015189416_200000211371 [0,2,0,0,0,0|2,0,0]=4 11597 B15R0.322 CCCCOCCCNC(=O)NCCCF 273464a_200000211371_100015189416 [0,2,0,0,0,0|2,0,0]=4 11598 B15R0.322 CCCCOCCCNC(=O)NCCCF 512a_100015189416_200000211371 [0,2,0,0,0,0|2,0,0]=4 11599 B15R0.322 CCCCOCCCNC(=O)NCCCF 512a_200000211371_100015189416 [0,2,0,0,0,0|2,0,0]=4 11600 B15R0.322 CCCCOCCCNC(=O)NCCCO 2708a_200000211371_100000182051 [0,2,0,0,0,0|2,0,0]=4 11601 B15R0.322 CCCCOCCCNC(=O)NCCCO 273464a_100000182051_200000211371 [0,2,0,0,0,0|2,0,0]=4 11602 B15R0.322 CCCCOCCCNC(=O)NCCCO 273464a_200000211371_100000182051 [0,2,0,0,0,0|2,0,0]=4 11603 B15R0.322 CCCCOCCCNC(=O)NCCCO 512a_200000211371_100000182051 [0,2,0,0,0,0|2,0,0]=4 11604 B15R0.322 CCCCOCCCNC(=O)NCCOC 2708a_200000211371_100000209980 [0,2,0,0,0,0|2,0,0]=4 11605 B15R0.322 CCCCOCCCNC(=O)NCCOC 273464a_100000209980_200000211371 [0,2,0,0,0,0|2,0,0]=4 11606 B15R0.322 CCCCOCCCNC(=O)NCCOC 273464a_200000211371_100000209980 [0,2,0,0,0,0|2,0,0]=4 11607 B15R0.322 CCCCOCCCNC(=O)NCCSC 2708a_100020590264_200000211371 [0,2,0,0,0,0|2,0,0]=4 11608 B15R0.322 CCCCOCCCNC(=O)NCCSC 2708a_200000211371_100020590264 [0,2,0,0,0,0|2,0,0]=4 11609 B15R0.322 CCCCOCCCNC(=O)NCCSC 273464a_100020590264_200000211371 [0,2,0,0,0,0|2,0,0]=4 11610 B15R0.322 CCCCOCCCNC(=O)NCCSC 273464a_200000211371_100020590264 [0,2,0,0,0,0|2,0,0]=4 11611 B15R0.322 CCCCOCCCNC(=O)NCCSC 512a_100020590264_200000211371 [0,2,0,0,0,0|2,0,0]=4 11612 B15R0.322 CCCCOCCCNC(=O)NCCSC 512a_200000211371_100020590264 [0,2,0,0,0,0|2,0,0]=4 11613 B15R0.322 CCCCOCCCNC(=O)NNCCC 273464a_200000211371_100000740057 [0,2,0,0,0,0|2,0,0]=4 11614 B15R0.322 CCCCOCCCNC(=O)NNCCC 512a_100000740057_200000211371 [0,2,0,0,0,0|2,0,0]=4 11615 B15R0.322 CCCCOCCCNC(=O)NNCCC 512a_200000211371_100000740057 [0,2,0,0,0,0|2,0,0]=4 11616 B15R0.322 CCCNNC(=O)CCCCCCCCO 22a_100000740057_100000015970 [0,2,0,0,0,0|2,0,0]=4 11617 B15R0.322 CCCNNC(=O)NCCCCCCCO 273464a_100011996573_100000740057 [0,2,0,0,0,0|2,0,0]=4 11618 B15R0.322 CCCNNC(=O)NCCCCCCCO 512a_100000740057_100011996573 [0,2,0,0,0,0|2,0,0]=4 11619 B15R0.322 CCCNNC(=O)NCCCCCCCO 512a_100011996573_100000740057 [0,2,0,0,0,0|2,0,0]=4 11620 B15R0.322 CCCOCC(=O)CCCCCCCCO 1458a_100000745993_100000033203 [0,2,0,0,0,0|2,0,0]=4 11621 B15R0.322 CCCOCC(=O)NCCCCCCCO 240690a_100011996573_100000745993 [0,2,0,0,0,0|2,0,0]=4 11622 B15R0.322 CCCSCC(=O)CCCCCCCCO 1458a_100000217233_100000033203 [0,2,0,0,0,0|2,0,0]=4 11623 B15R0.322 CCCSCC(=O)NCCCCCCCO 240690a_100011996573_100000217233 [0,2,0,0,0,0|2,0,0]=4 11624 B15R0.322 CCOCCC(=O)CCCCCCCCO 1458a_100000749530_100000033203 [0,2,0,0,0,0|2,0,0]=4 11625 B15R0.322 CCOCCC(=O)NCCCCCCCO 240690a_100011996573_100000749530 [0,2,0,0,0,0|2,0,0]=4 11626 B15R0.322 CCSCCC(=O)CCCCCCCCO 1458a_100000230768_100000033203 [0,2,0,0,0,0|2,0,0]=4 11627 B15R0.322 CCSCCC(=O)NCCCCCCCO 240690a_100011996573_100000230768 [0,2,0,0,0,0|2,0,0]=4 11628 B15R0.322 COCCCC(=O)CCCCCCCCO 1458a_100000741012_100000033203 [0,2,0,0,0,0|2,0,0]=4 11629 B15R0.322 COCCCC(=O)NCCCCCCCO 240690a_100011996573_100000741012 [0,2,0,0,0,0|2,0,0]=4 11630 B15R0.322 COCCNC(=O)CCCCCCCCO 240690a_100000209980_100000015970 [0,2,0,0,0,0|2,0,0]=4 11631 B15R0.322 COCCNC(=O)NCCCCCCCO 2708a_100011996573_100000209980 [0,2,0,0,0,0|2,0,0]=4 11632 B15R0.322 COCCNC(=O)NCCCCCCCO 273464a_100000209980_100011996573 [0,2,0,0,0,0|2,0,0]=4 11633 B15R0.322 COCCNC(=O)NCCCCCCCO 273464a_100011996573_100000209980 [0,2,0,0,0,0|2,0,0]=4 11634 B15R0.322 CSCCCC(=O)CCCCCCCCO 1458a_100000173376_100000033203 [0,2,0,0,0,0|2,0,0]=4 11635 B15R0.322 CSCCCC(=O)NCCCCCCCO 240690a_100011996573_100000173376 [0,2,0,0,0,0|2,0,0]=4 11636 B15R0.322 CSCCNC(=O)CCCCCCCCO 240690a_100020590264_100000015970 [0,2,0,0,0,0|2,0,0]=4 11637 B15R0.322 CSCCNC(=O)NCCCCCCCO 2708a_100011996573_100020590264 [0,2,0,0,0,0|2,0,0]=4 11638 B15R0.322 CSCCNC(=O)NCCCCCCCO 2708a_100020590264_100011996573 [0,2,0,0,0,0|2,0,0]=4 11639 B15R0.322 CSCCNC(=O)NCCCCCCCO 273464a_100011996573_100020590264 [0,2,0,0,0,0|2,0,0]=4 11640 B15R0.322 CSCCNC(=O)NCCCCCCCO 273464a_100020590264_100011996573 [0,2,0,0,0,0|2,0,0]=4 11641 B15R0.322 CSCCNC(=O)NCCCCCCCO 512a_100011996573_100020590264 [0,2,0,0,0,0|2,0,0]=4 11642 B15R0.322 CSCCNC(=O)NCCCCCCCO 512a_100020590264_100011996573 [0,2,0,0,0,0|2,0,0]=4 11643 B15R0.322 N#CCCCC(=O)CCCCCCCCO 1458a_100000075515_100000033203 [0,2,0,0,0,0|2,0,0]=4 11644 B15R0.322 N#CCCCC(=O)NCCCCCCCO 240690a_100011996573_100000075515 [0,2,0,0,0,0|2,0,0]=4 11645 B15R0.322 O=C(CCCCCCCCO)COCCO 1458a_100000708028_100000033203 [0,2,0,0,0,0|2,0,0]=4 11646 B15R0.322 O=C(CCCCCCCCO)NCCCF 240690a_100015189416_100000015970 [0,2,0,0,0,0|2,0,0]=4 11647 B15R0.322 O=C(CCCCCCCCO)NCCCO 240690a_100000182051_100000015970 [0,2,0,0,0,0|2,0,0]=4 11648 B15R0.322 O=C(CCCCO)CCCCCCCCO 1458a_100000695505_100000033203 [0,2,0,0,0,0|2,0,0]=4 11649 B15R0.322 O=C(COCCO)NCCCCCCCO 240690a_100011996573_100000708028 [0,2,0,0,0,0|2,0,0]=4 11650 B15R0.322 O=C(NCCCF)NCCCCCCCO 2708a_100011996573_100015189416 [0,2,0,0,0,0|2,0,0]=4 11651 B15R0.322 O=C(NCCCF)NCCCCCCCO 2708a_100015189416_100011996573 [0,2,0,0,0,0|2,0,0]=4 11652 B15R0.322 O=C(NCCCF)NCCCCCCCO 273464a_100011996573_100015189416 [0,2,0,0,0,0|2,0,0]=4 11653 B15R0.322 O=C(NCCCF)NCCCCCCCO 273464a_100015189416_100011996573 [0,2,0,0,0,0|2,0,0]=4 11654 B15R0.322 O=C(NCCCF)NCCCCCCCO 512a_100011996573_100015189416 [0,2,0,0,0,0|2,0,0]=4 11655 B15R0.322 O=C(NCCCF)NCCCCCCCO 512a_100015189416_100011996573 [0,2,0,0,0,0|2,0,0]=4 11656 B15R0.322 O=C(NCCCO)NCCCCCCCO 2708a_100011996573_100000182051 [0,2,0,0,0,0|2,0,0]=4 11657 B15R0.322 O=C(NCCCO)NCCCCCCCO 273464a_100000182051_100011996573 [0,2,0,0,0,0|2,0,0]=4 11658 B15R0.322 O=C(NCCCO)NCCCCCCCO 273464a_100011996573_100000182051 [0,2,0,0,0,0|2,0,0]=4 11659 B15R0.322 O=C(NCCCO)NCCCCCCCO 512a_100011996573_100000182051 [0,2,0,0,0,0|2,0,0]=4 11660 B15R0.3180 CCCCCC(=O)CCCC(=O)NCCC 1458a_100000199544_100000210326 [0,2,0,0,0,0|1,0,1]=4 11661 B15R0.3180 CCCCCC(=O)CCCC(=O)NCCC 1458a_100000212188_100011194427 [0,2,0,0,0,0|1,0,1]=4 11662 B15R0.3180 CCCCCC(C)OCOC(=O)OCCC 34a_100011215632_200000139673 [0,2,0,0,0,0|1,0,0]=3 11663 B15R0.3180 CCCCCC(C)OCOC(=O)OCCC 7a_100011215632_200000139673 [0,2,0,0,0,0|1,0,0]=3 11664 B15R0.3180 CCCCCC(C)SCOC(=O)OCCC 62a_200011218191_200000139673 [0,2,0,0,0,0|1,0,0]=3 11665 B15R0.3180 CCCCCC(O)CCCC(=O)NCCC 1626a_100020643023_100020618878 [0,2,0,0,0,0|1,0,0]=3 11666 B15R0.3180 CCCCCC(O)CCCC(=O)NCCC 240690a_100020643023_100020618878 [0,2,0,0,0,0|1,0,0]=3 11667 B15R0.3180 CCCCCC(O)CCCC(=O)NCCC 527a_100020643023_100020618878 [0,2,0,0,0,0|1,0,0]=3 11668 B15R0.3180 CCCCCC(O)CCCC(=O)NCCF 1626a_100000724931_100020618878 [0,2,0,0,0,0|2,0,0]=4 11669 B15R0.3180 CCCCCC(O)CCCC(=O)NCCF 240690a_100000724931_100020618878 [0,2,0,0,0,0|2,0,0]=4 11670 B15R0.3180 CCCCCC(O)CCCC(=O)NCCF 527a_100000724931_100020618878 [0,2,0,0,0,0|2,0,0]=4 11671 B15R0.3180 CCCCCC(O)CCCC(=O)NCCO 240690a_100000210304_100020618878 [0,2,0,0,0,0|2,0,0]=4 11672 B15R0.3180 CCCCCC(O)CCCC(=O)NCCO 527a_100000210304_100020618878 [0,2,0,0,0,0|2,0,0]=4 11673 B15R0.3180 CCCCCC(O)CCCC(=O)NNCC 22a_100000756455_100020618878 [0,2,0,0,0,0|2,0,0]=4 11674 B15R0.3180 CCCCCN(C)CCCC(=O)NCCC 2230a_100000223495_100011194427 [0,2,0,0,0,0|2,0,0]=4 11675 B15R0.3180 CCCCCN(C)CCCC(=O)NCCC 269982a_100000223495_100011194427 [0,2,0,0,0,0|2,0,0]=4 11676 B15R0.3180 CCCOC(=O)OCOC(C)CCCOC 34a_200011539412_200000139673 [0,2,0,0,0,0|2,0,0]=4 11677 B15R0.3180 CCCOC(=O)OCOC(C)CCCOC 7a_200011539412_200000139673 [0,2,0,0,0,0|2,0,0]=4 11678 B15R0.5019 CCCCCCCCNS(=O)(=O)CCCC 270084a_100000229939_100000212082 [0,2,0,0,0,0|2,0,0]=4 11679 B15R0.5019 CCCCCCCCNS(=O)(=O)CCCC 274078a_100000229939_100000212082 [0,2,0,0,0,0|2,0,0]=4 11680 B15R0.5019 CCCCCCCCNS(=O)(=O)CCCC 40a_100000229939_100000054263 [0,2,0,0,0,0|2,0,0]=4 11681 B15R0.5019 CCCCCCCCNS(=O)(=O)CCCCl 270084a_100000229939_100000211827 [0,2,0,0,0,0|2,0,0]=4 11682 B15R0.5019 CCCCCCCCNS(=O)(=O)CCCF 270084a_100000229939_200000759752 [0,2,0,0,0,0|2,0,0]=4 11683 B15R0.5019 CCCCCCCCNS(=O)(=O)CCCF 274078a_100000229939_200000759752 [0,2,0,0,0,0|2,0,0]=4 11684 B15R0.5019 CCCCCCCCNS(=O)(=O)CCOC 270084a_100000229939_100000745348 [0,2,0,0,0,0|2,0,0]=4 11685 B15R0.5019 CCCCCCCCNS(=O)(=O)CCOC 274078a_100000229939_100000745348 [0,2,0,0,0,0|2,0,0]=4 11686 B15R0.5019 CCCCCCCCOC(C)(C)CCCBr 7a_100009888830_100000210759 [0,2,0,0,0,0|1,0,1]=4 11687 B15R0.5019 CCCCCCCCOC(C)(C)CCCC 7a_100011219641_100000210759 [0,2,0,0,0,0|1,0,1]=4 11688 B15R0.1575 C#CC(CCCCC)OCOC(=O)CCC 34a_100011216489_100000034017 [0,2,0,0,0,0|1,0,0]=3 11689 B15R0.1575 C=CC(CCCCC)OCOC(=O)CCC 34a_100011216863_100000034017 [0,2,0,0,0,0|1,0,0]=3 11690 B15R0.1575 CCCCCC(CC)OCOC(=O)CCC 34a_100011215405_100000034017 [0,2,0,0,0,0|1,0,0]=3 11691 B13R1.6 CCCCCCN1CCNC(=O)C1 2230a_100000184651_100000210314 [1,0,0,1,0,0|2,0,0]=4 11692 B13R1.6 CCCCCCN1CCOC(=O)C1 2230a_100000131268_100000210314 [1,0,0,1,0,0|2,0,0]=4 11693 B13R1.6 CCCCCNC1CCNC(=O)C1 2230a_100016994916_100000210326 [1,0,0,1,0,0|2,0,0]=4 11694 B13R1.6 CCCCCNC1CCNC(=O)C1 34a_100016994916_100000718602 [1,0,0,1,0,0|2,0,0]=4 11695 B13R1.6 CCCCCOC1CCCC(=O)C1 34a_100012613340_100000718602 [1,0,0,1,0,0|1,0,0]=3 11696 B13R1.6 CCCCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000718602 [1,0,0,1,0,0|2,0,0]=4 11697 B13R1.6 CCCCOCC1CCCC(=O)N1 34a_200000102386_100000210210 [1,0,0,1,0,0|2,0,0]=4 11698 B13R1.6 CCCCOCC1CCNC(=O)C1 34a_100009886756_100000210210 [1,0,0,1,0,0|2,0,0]=4 11699 B13R1.6 CCOCCOC1CCCC(=O)C1 34a_100012613340_100000210147 [1,0,0,1,0,0|2,0,0]=4 11700 B13R1.6 CCSCCOC1CCCC(=O)C1 34a_100012613340_100000757381 [1,0,0,1,0,0|2,0,0]=4 11701 B13R1.6 COCCCOC1CCCC(=O)C1 34a_100012613340_100000740836 [1,0,0,1,0,0|2,0,0]=4 11702 B13R1.6 O=C1CCCC(C1)OCCCCF 34a_100012613340_100000729493 [1,0,0,1,0,0|2,0,0]=4 11703 B13R1.6 O=C1CCCC(C1)OCCCCO 34a_100012613340_100011216708 [1,0,0,1,0,0|2,0,0]=4 11704 B13R1.42 C#CCC(=O)CCC1CCCCC1 1458a_100000211375_100000184674 [1,0,0,1,0,0|0,0,2]=4 11705 B13R1.42 C#CCC(=O)CCC1CCCCC1 1458a_100011220946_100011273959 [1,0,0,1,0,0|0,0,2]=4 11706 B13R1.42 C=CCC(=O)CCC1CCCCC1 1458a_100000210193_100011273959 [1,0,0,1,0,0|0,0,2]=4 11707 B13R1.42 C=CCC(=O)CCC1CCCCC1 1458a_100000211375_100000210623 [1,0,0,1,0,0|0,0,2]=4 11708 B13R1.42 CC#CC(=O)CCC1CCCCC1 1458a_100000763181_100011273959 [1,0,0,1,0,0|0,0,2]=4 11709 B13R1.42 CC=CC(=O)CCC1CCCCC1 1458a_100000210699_100011273959 [1,0,0,1,0,0|0,0,2]=4 11710 B13R1.42 CCCC(=O)C=CC1CCCCC1 1458a_100102566626_100000210303 [1,0,0,1,0,0|0,0,2]=4 11711 B13R1.42 CCCC(=O)CCC1CCCCC1 1458a_100000211375_100000210303 [1,0,0,1,0,0|0,0,0]=2 11712 B13R1.42 CCCC(=O)CCC1CCCCC1 1458a_100000211992_100011273959 [1,0,0,1,0,0|0,0,0]=2 11713 B13R1.42 CCCC(=O)CCC1CCOCC1 1458a_100000211992_100011934994 [1,0,0,1,0,0|1,0,0]=3 11714 B13R1.42 CCCC(=O)CCC1OCCCO1 1458a_100000211992_100000764188 [1,0,0,1,0,0|2,0,0]=4 11715 B13R1.42 CCCC(=O)CCN1CCCCC1 1458a_100000211992_100000739454 [1,0,0,1,0,0|1,0,0]=3 11716 B13R1.42 CCCC(=O)CCN1CCCCC1 1458a_100000743487_100000210303 [1,0,0,1,0,0|1,0,0]=3 11717 B13R1.42 CCCC(=O)CCN1CCCCO1 1458a_200015184090_100000210303 [1,0,0,1,0,0|2,0,0]=4 11718 B13R1.42 CCCC(=O)CCN1CCOCC1 1458a_100000211992_100000753993 [1,0,0,1,0,0|2,0,0]=4 11719 B13R1.42 CCCC(=O)CCN1CCOCC1 1458a_100000749337_100000210303 [1,0,0,1,0,0|2,0,0]=4 11720 B13R1.42 CCCC(=O)CNC1CCCCC1 2230a_100000182618_100000747444 [1,0,0,1,0,0|1,0,0]=3 11721 B13R1.42 CCCC(=O)CNC1CCCOC1 2230a_100000719290_100000747444 [1,0,0,1,0,0|2,0,0]=4 11722 B13R1.42 CCCC(=O)CNC1CCOCC1 2230a_100000741149_100000747444 [1,0,0,1,0,0|2,0,0]=4 11723 B13R1.42 CCCC(=O)CNC1CCSCC1 2230a_100000748639_100000747444 [1,0,0,1,0,0|2,0,0]=4 11724 B13R1.42 CCCC(=O)COC1CCCCC1 1458a_100000211992_100011935260 [1,0,0,1,0,0|1,0,0]=3 11725 B13R1.42 CCCC(=O)COC1CCCCC1 1458a_100011223303_100000210303 [1,0,0,1,0,0|1,0,0]=3 11726 B13R1.42 CCCC(=O)COC1CCCCC1 7a_100000210231_100000747444 [1,0,0,1,0,0|1,0,0]=3 11727 B13R1.42 CCCC(=O)COC1CCCSC1 7a_100015962668_100000747444 [1,0,0,1,0,0|2,0,0]=4 11728 B13R1.42 CCCC(=O)COC1CCSCC1 7a_100000731022_100000747444 [1,0,0,1,0,0|2,0,0]=4 11729 B13R1.42 CCCC(=O)CSC1CCCCC1 62a_100000210327_100000747444 [1,0,0,1,0,0|1,0,0]=3 11730 B13R1.42 CCCC(=O)CSC1CCCCC1 62a_100000747444_100000210327 [1,0,0,1,0,0|1,0,0]=3 11731 B13R1.42 CCCC(=O)CSC1CCCOC1 62a_100000747444_100000693364 [1,0,0,1,0,0|2,0,0]=4 11732 B13R1.42 CCCC(=O)CSC1CCOCC1 62a_100000747444_100011324220 [1,0,0,1,0,0|2,0,0]=4 11733 B13R1.42 CCCC(=O)CSC1CCSCC1 62a_100000747444_100000069128 [1,0,0,1,0,0|2,0,0]=4 11734 B13R1.42 CCCC(=O)NCC1CCCCC1 11a_100000210473_100000211992 [1,0,0,1,0,0|1,0,0]=3 11735 B13R1.42 CCCC(=O)NCC1CCCCC1 1626a_100000210473_100000211992 [1,0,0,1,0,0|1,0,0]=3 11736 B13R1.42 CCCC(=O)NCC1CCCCC1 240690a_100000210473_100000211992 [1,0,0,1,0,0|1,0,0]=3 11737 B13R1.42 CCCC(=O)NCC1CCCCC1 527a_100000210473_100000211992 [1,0,0,1,0,0|1,0,0]=3 11738 B13R1.42 CCCC(=O)NCC1CCCCO1 11a_100000174945_100000211992 [1,0,0,1,0,0|2,0,0]=4 11739 B13R1.42 CCCC(=O)NCC1CCCCO1 1626a_100000174945_100000211992 [1,0,0,1,0,0|2,0,0]=4 11740 B13R1.42 CCCC(=O)NCC1CCCCO1 240690a_100000174945_100000211992 [1,0,0,1,0,0|2,0,0]=4 11741 B13R1.42 CCCC(=O)NCC1CCCCO1 527a_100000174945_100000211992 [1,0,0,1,0,0|2,0,0]=4 11742 B13R1.42 CCCC(=O)NCC1CCCOC1 11a_100000720124_100000211992 [1,0,0,1,0,0|2,0,0]=4 11743 B13R1.42 CCCC(=O)NCC1CCCOC1 1626a_100000720124_100000211992 [1,0,0,1,0,0|2,0,0]=4 11744 B13R1.42 CCCC(=O)NCC1CCCOC1 240690a_100000720124_100000211992 [1,0,0,1,0,0|2,0,0]=4 11745 B13R1.42 CCCC(=O)NCC1CCCOC1 527a_100000720124_100000211992 [1,0,0,1,0,0|2,0,0]=4 11746 B13R1.42 CCCC(=O)NCC1CCOCC1 11a_100000746373_100000211992 [1,0,0,1,0,0|2,0,0]=4 11747 B13R1.42 CCCC(=O)NCC1CCOCC1 1626a_100000746373_100000211992 [1,0,0,1,0,0|2,0,0]=4 11748 B13R1.42 CCCC(=O)NCC1CCOCC1 240690a_100000746373_100000211992 [1,0,0,1,0,0|2,0,0]=4 11749 B13R1.42 CCCC(=O)NCC1CCOCC1 527a_100000746373_100000211992 [1,0,0,1,0,0|2,0,0]=4 11750 B13R1.42 CCCC(=O)NCC1CCSCC1 11a_100015188806_100000211992 [1,0,0,1,0,0|2,0,0]=4 11751 B13R1.42 CCCC(=O)NCC1CCSCC1 240690a_100015188806_100000211992 [1,0,0,1,0,0|2,0,0]=4 11752 B13R1.42 CCCC(=O)NCC1CCSCC1 527a_100015188806_100000211992 [1,0,0,1,0,0|2,0,0]=4 11753 B13R1.42 CCCC(=O)NNC1CCCCC1 22a_100000709804_100000211992 [1,0,0,1,0,0|2,0,0]=4 11754 B13R1.42 CCCC(=O)OCN1CCCOC1 2230a_100000131196_100000034017 [1,0,0,1,0,0|2,0,0]=4 11755 B13R1.42 CCCC(=O)OCN1CCCOC1 269982a_100000131196_100000034017 [1,0,0,1,0,0|2,0,0]=4 11756 B13R1.42 CCCC(=O)OCN1CCCOC1 34a_100000131196_100000034017 [1,0,0,1,0,0|2,0,0]=4 11757 B13R1.42 CCCC(=O)OCN1CCOCC1 2230a_100015191051_100000034017 [1,0,0,1,0,0|2,0,0]=4 11758 B13R1.42 CCCC(=O)OCN1CCOCC1 269982a_100015191051_100000034017 [1,0,0,1,0,0|2,0,0]=4 11759 B13R1.42 CCCC(=O)OCN1CCOCC1 34a_100015191051_100000034017 [1,0,0,1,0,0|2,0,0]=4 11760 B13R1.42 CCCC(=O)OCN1CCSCC1 2230a_100000737611_100000034017 [1,0,0,1,0,0|2,0,0]=4 11761 B13R1.42 CCCC(=O)OCN1CCSCC1 269982a_100000737611_100000034017 [1,0,0,1,0,0|2,0,0]=4 11762 B13R1.42 CCCC(C)OCC1CCCCC1 34a_100000212181_100000766640 [1,0,0,1,0,0|1,0,1]=4 11763 B13R1.42 CCCC(C)OCC1CCCCC1 34a_100000764384_100000211423 [1,0,0,1,0,0|1,0,1]=4 11764 B13R1.42 CCCC(C)OCC1CCCCC1 7a_100000212181_100000766640 [1,0,0,1,0,0|1,0,1]=4 11765 B13R1.42 CCCC(C)OCC1CCCCC1 7a_100000764384_100000211423 [1,0,0,1,0,0|1,0,1]=4 11766 B13R1.42 CCCN(C)CCC1CCCCC1 2230a_100000747261_100012355289 [1,0,0,1,0,0|2,0,0]=4 11767 B13R1.42 CCCN(C)CCC1CCCCC1 269982a_100000747261_100011273959 [1,0,0,1,0,0|2,0,0]=4 11768 B13R1.42 CCCN(C)CCC1CCCCC1 270004a_100000747261_100011713444 [1,0,0,1,0,0|2,0,0]=4 11769 B13R1.42 CCNC(=O)CCC1CCCCC1 11a_100015525214_100000211375 [1,0,0,1,0,0|1,0,0]=3 11770 B13R1.42 CCNC(=O)CCC1CCCCC1 240690a_100015525214_100000211375 [1,0,0,1,0,0|1,0,0]=3 11771 B13R1.42 CCNC(=O)CCC1CCCCC1 527a_100015525214_100000211375 [1,0,0,1,0,0|1,0,0]=3 11772 B13R1.42 CCNC(=O)CCN1CCCCC1 240690a_100015525214_100000743487 [1,0,0,1,0,0|2,0,0]=4 11773 B13R1.42 CCNC(=O)CNC1CCCCC1 2230a_100000182618_100000183381 [1,0,0,1,0,0|2,0,0]=4 11774 B13R1.42 CCNC(=O)CNC1CCCCC1 270004a_100016988866_100000210434 [1,0,0,1,0,0|2,0,0]=4 11775 B13R1.42 CCNC(=O)CNC1CCCCC1 34a_100000182618_100000183381 [1,0,0,1,0,0|2,0,0]=4 11776 B13R1.42 CCNC(=O)COC1CCCCC1 11a_100015525214_100011223303 [1,0,0,1,0,0|2,0,0]=4 11777 B13R1.42 CCNC(=O)COC1CCCCC1 240690a_100015525214_100011223303 [1,0,0,1,0,0|2,0,0]=4 11778 B13R1.42 CCNC(=O)COC1CCCCC1 34a_100000210231_100000183381 [1,0,0,1,0,0|2,0,0]=4 11779 B13R1.42 CCNC(=O)COC1CCCCC1 527a_100015525214_100011223303 [1,0,0,1,0,0|2,0,0]=4 11780 B13R1.42 CCNC(=O)COC1CCCCC1 7a_100000210231_100000183381 [1,0,0,1,0,0|2,0,0]=4 11781 B13R1.42 CCNC(=O)CSC1CCCCC1 62a_100000183381_100000210327 [1,0,0,1,0,0|2,0,0]=4 11782 B13R1.42 CCNC(=O)CSC1CCCCC1 62a_100000210327_100000183381 [1,0,0,1,0,0|2,0,0]=4 11783 B13R1.42 CCNC(=O)NCC1CCCCC1 2708a_100000210473_100015525214 [1,0,0,1,0,0|2,0,0]=4 11784 B13R1.42 CCNC(=O)NCC1CCCCC1 2708a_100015525214_100000210473 [1,0,0,1,0,0|2,0,0]=4 11785 B13R1.42 CCNC(=O)NCC1CCCCC1 273464a_100000210473_100015525214 [1,0,0,1,0,0|2,0,0]=4 11786 B13R1.42 CCNC(=O)NCC1CCCCC1 273464a_100015525214_100000210473 [1,0,0,1,0,0|2,0,0]=4 11787 B13R1.42 CCNC(=O)NCC1CCCCC1 512a_100015525214_100000210473 [1,0,0,1,0,0|2,0,0]=4 11788 B13R1.42 CCOC(=O)CNC1CCCCC1 2230a_100000182618_100000188475 [1,0,0,1,0,0|2,0,0]=4 11789 B13R1.42 CCOC(=O)CNC1CCCCC1 34a_100000182618_100000188475 [1,0,0,1,0,0|2,0,0]=4 11790 B13R1.42 CCOC(=O)COC1CCCCC1 34a_100000210231_100000188475 [1,0,0,1,0,0|2,0,0]=4 11791 B13R1.42 CCOC(=O)COC1CCCCC1 7a_100000210231_100000188475 [1,0,0,1,0,0|2,0,0]=4 11792 B13R1.42 CCOC(=O)CSC1CCCCC1 62a_100000188475_100000210327 [1,0,0,1,0,0|2,0,0]=4 11793 B13R1.42 CCOC(=O)CSC1CCCCC1 62a_100000210327_100000188475 [1,0,0,1,0,0|2,0,0]=4 11794 B13R1.42 CNCC(=O)NCC1CCCCC1 2230a_106832991635_100000183341 [1,0,0,1,0,0|2,0,0]=4 11795 B13R1.42 CNCC(=O)NCC1CCCCC1 34a_100102657272_100000183341 [1,0,0,1,0,0|2,0,0]=4 11796 B13R1.42 CNCC(=O)NCC1CCCCC1 7a_106832991635_100000183341 [1,0,0,1,0,0|2,0,0]=4 11797 B13R1.42 CNNC(=O)CCC1CCCCC1 22a_100016993582_100000211375 [1,0,0,1,0,0|2,0,0]=4 11798 B13R1.42 COCC(=O)CCC1CCCCC1 1458a_100000210968_100011273959 [1,0,0,1,0,0|1,0,0]=3 11799 B13R1.42 COCC(=O)CCC1CCOCC1 1458a_100000210968_100011934994 [1,0,0,1,0,0|2,0,0]=4 11800 B13R1.42 COCC(=O)CCN1CCCCC1 1458a_100000210968_100000739454 [1,0,0,1,0,0|2,0,0]=4 11801 B13R1.42 COCC(=O)COC1CCCCC1 1458a_100000210968_100011935260 [1,0,0,1,0,0|2,0,0]=4 11802 B13R1.42 COCC(=O)NCC1CCCCC1 11a_100000210473_100000210968 [1,0,0,1,0,0|2,0,0]=4 11803 B13R1.42 COCC(=O)NCC1CCCCC1 1626a_100000210473_100000210968 [1,0,0,1,0,0|2,0,0]=4 11804 B13R1.42 COCC(=O)NCC1CCCCC1 240690a_100000210473_100000210968 [1,0,0,1,0,0|2,0,0]=4 11805 B13R1.42 COCC(=O)NCC1CCCCC1 34a_100138415774_100000183341 [1,0,0,1,0,0|2,0,0]=4 11806 B13R1.42 COCC(=O)NCC1CCCCC1 527a_100000210473_100000210968 [1,0,0,1,0,0|2,0,0]=4 11807 B13R1.42 CSCC(=O)CCC1CCCCC1 1458a_100000184570_100011273959 [1,0,0,1,0,0|1,0,0]=3 11808 B13R1.42 CSCC(=O)CCC1CCOCC1 1458a_100000184570_100011934994 [1,0,0,1,0,0|2,0,0]=4 11809 B13R1.42 CSCC(=O)CCN1CCCCC1 1458a_100000184570_100000739454 [1,0,0,1,0,0|2,0,0]=4 11810 B13R1.42 CSCC(=O)COC1CCCCC1 1458a_100000184570_100011935260 [1,0,0,1,0,0|2,0,0]=4 11811 B13R1.42 CSCC(=O)NCC1CCCCC1 11a_100000210473_100000184570 [1,0,0,1,0,0|2,0,0]=4 11812 B13R1.42 CSCC(=O)NCC1CCCCC1 1626a_100000210473_100000184570 [1,0,0,1,0,0|2,0,0]=4 11813 B13R1.42 CSCC(=O)NCC1CCCCC1 240690a_100000210473_100000184570 [1,0,0,1,0,0|2,0,0]=4 11814 B13R1.42 CSCC(=O)NCC1CCCCC1 527a_100000210473_100000184570 [1,0,0,1,0,0|2,0,0]=4 11815 B13R1.42 CSCC(=O)NCC1CCCCC1 62a_100000183341_200000210301 [1,0,0,1,0,0|2,0,0]=4 11816 B13R1.42 CSCC(=O)NCC1CCCCC1 62a_200000210301_100000183341 [1,0,0,1,0,0|2,0,0]=4 11817 B13R1.42 N#CCC(=O)CCC1CCCCC1 1458a_100000211375_100011214920 [1,0,0,1,0,0|1,0,1]=4 11818 B13R1.42 N#CCC(=O)CCC1CCCCC1 1458a_100051588842_100011273959 [1,0,0,1,0,0|1,0,1]=4 11819 B13R1.42 O=C(CCF)CCC1CCCCC1 1458a_100000211375_100011217306 [1,0,0,1,0,0|1,0,0]=3 11820 B13R1.42 O=C(CCF)CCN1CCCCC1 1458a_100000743487_100011217306 [1,0,0,1,0,0|2,0,0]=4 11821 B13R1.42 O=C(CCF)COC1CCCCC1 1458a_100011223303_100011217306 [1,0,0,1,0,0|2,0,0]=4 11822 B13R1.42 O=C(CCO)CCC1CCCCC1 1458a_100000211375_100000211926 [1,0,0,1,0,0|1,0,0]=3 11823 B13R1.42 O=C(CCO)CCC1CCCCC1 1458a_100011216618_100011273959 [1,0,0,1,0,0|1,0,0]=3 11824 B13R1.42 O=C(CCO)CCC1CCOCC1 1458a_100011216618_100011934994 [1,0,0,1,0,0|2,0,0]=4 11825 B13R1.42 O=C(CCO)CCN1CCCCC1 1458a_100000743487_100000211926 [1,0,0,1,0,0|2,0,0]=4 11826 B13R1.42 O=C(CCO)CCN1CCCCC1 1458a_100011216618_100000739454 [1,0,0,1,0,0|2,0,0]=4 11827 B13R1.42 O=C(CCO)COC1CCCCC1 1458a_100011216618_100011935260 [1,0,0,1,0,0|2,0,0]=4 11828 B13R1.42 O=C(CCO)COC1CCCCC1 1458a_100011223303_100000211926 [1,0,0,1,0,0|2,0,0]=4 11829 B13R1.42 O=C(CCO)NCC1CCCCC1 240690a_100000210473_100011216618 [1,0,0,1,0,0|2,0,0]=4 11830 B13R1.42 [13CH3]SCC(=O)NCC1CCCCC1 62a_100000183341_200025704644 [1,0,0,1,0,0|2,0,0]=4 11831 B13R1.42 [13CH3]SCC(=O)NCC1CCCCC1 62a_200025704644_100000183341 [1,0,0,1,0,0|2,0,0]=4 11832 B13R1.119 CCCCCCCCN1CCCC1 2230a_100000188435_100000210759 [1,0,0,1,0,0|2,0,0]=4 11833 B13R1.119 CCCCCCCCN1CCCC1 269982a_100000188435_100000210759 [1,0,0,1,0,0|2,0,0]=4 11834 B13R1.119 CCCCCCCOC1CCCC1 34a_100000210269_100000210614 [1,0,0,1,0,0|1,0,1]=4 11835 B13R1.119 CCCCCCCOC1CCCC1 34a_100000210272_100000179811 [1,0,0,1,0,0|1,0,1]=4 11836 B13R1.119 CCCCCCCOC1CCCC1 7a_100000210269_100000210614 [1,0,0,1,0,0|1,0,1]=4 11837 B13R1.119 CCCCCCCOC1CCCC1 7a_100000210272_100000179811 [1,0,0,1,0,0|1,0,1]=4 11838 B13R1.119 CCCCCCCOC1CCCO1 34a_100000085407_100000210614 [1,0,0,1,0,0|0,0,2]=4 11839 B13R1.208 CCCC(=O)N1CCC[C@H]1COC 11a_100020646714_100000211992 [1,0,0,1,0,0|2,0,0]=4 11840 B13R1.208 CCCC(=O)N1CCC[C@H]1COC 1626a_100020646714_100000211992 [1,0,0,1,0,0|2,0,0]=4 11841 B13R1.208 CCCC(=O)N1CCC[C@H]1COC 240690a_100020646714_100000211992 [1,0,0,1,0,0|2,0,0]=4 11842 B13R1.208 CCCC1CCCC1N(C)CCC 270004a_100000747261_100000723119 [1,0,0,1,0,0|2,0,0]=4 11843 B13R1.208 CCCN1CCC[C@H]1C(=O)NCC 2230a_100020641767_100000210303 [1,0,0,1,0,0|2,0,0]=4 11844 B13R1.208 CCCN1CCC[C@H]1C(=O)NCC 269982a_100020641767_100000210303 [1,0,0,1,0,0|2,0,0]=4 11845 B13R1.208 CCCN1CCC[C@H]1C(=O)NCC 34a_100020641767_100000210303 [1,0,0,1,0,0|2,0,0]=4 11846 B13R1.208 CCCN1CCC[C@H]1C(=O)OCC 2230a_100000703725_100000210303 [1,0,0,1,0,0|2,0,0]=4 11847 B13R1.208 CCCN1CCC[C@H]1C(=O)OCC 269982a_100000703725_100000210303 [1,0,0,1,0,0|2,0,0]=4 11848 B13R1.208 CCOC(=O)[C@@H]1CCC[C@@H]1OCC 7a_200015395474_100000210202 [1,0,0,1,0,0|2,0,0]=4 11849 B13R1.223 CCCC(=O)CN1CCC1COC 2230a_100015195929_100000747444 [1,0,0,1,0,0|2,0,0]=4 11850 B13R1.223 CCCC(=O)CN1CCC1COC 269982a_100015195929_100000747444 [1,0,0,1,0,0|2,0,0]=4 11851 B13R1.362 CCCCCCCCN1CC(C1)C 2230a_100000702820_100000210759 [1,0,0,1,0,0|2,0,0]=4 11852 B13R1.362 CCCCCCCCN1CC(C1)C 269982a_100000702820_100000210759 [1,0,0,1,0,0|2,0,0]=4 11853 B13R1.362 CCCCCCCCN1CC(C1)C 34a_100000702820_100000210759 [1,0,0,1,0,0|2,0,0]=4 11854 B13R1.404 C#CCC(=O)CCCC1CCCC1 1458a_100011220946_100011713738 [1,0,0,1,0,0|0,0,2]=4 11855 B13R1.404 C=CCC(=O)CCCC1CCCC1 1458a_100000210193_100011713738 [1,0,0,1,0,0|0,0,2]=4 11856 B13R1.404 CC#CC(=O)CCCC1CCCC1 1458a_100000763181_100011713738 [1,0,0,1,0,0|0,0,2]=4 11857 B13R1.404 CC=CC(=O)CCCC1CCCC1 1458a_100000210699_100011713738 [1,0,0,1,0,0|0,0,2]=4 11858 B13R1.404 CCCC(=O)CCCC1CCCC1 1458a_100000211992_100011713738 [1,0,0,1,0,0|0,0,0]=2 11859 B13R1.404 CCCC(=O)CCCC1OCCO1 1458a_100000211992_100000042513 [1,0,0,1,0,0|2,0,0]=4 11860 B13R1.404 CCCC(=O)CCCN1CCCC1 1458a_100000211992_100011445909 [1,0,0,1,0,0|1,0,0]=3 11861 B13R1.404 CCCC(=O)CCCN1CCCC1 1458a_100000743284_100000210303 [1,0,0,1,0,0|1,0,0]=3 11862 B13R1.404 CCCC(=O)CNCC1CCCC1 2230a_100000737975_100000747444 [1,0,0,1,0,0|1,0,0]=3 11863 B13R1.404 CCCC(=O)CNCC1CCOC1 2230a_100000737293_100000747444 [1,0,0,1,0,0|2,0,0]=4 11864 B13R1.404 CCCC(=O)CNC[C@@H]1CCCO1 2230a_100020590478_100000747444 [1,0,0,1,0,0|2,0,0]=4 11865 B13R1.404 CCCC(=O)COCC1CCCC1 7a_100000742336_100000747444 [1,0,0,1,0,0|1,0,0]=3 11866 B13R1.404 CCCC(=O)COCC1CCCO1 1458a_100011223388_100000210303 [1,0,0,1,0,0|2,0,0]=4 11867 B13R1.404 CCCC(=O)COCC1CCCO1 7a_100000210270_100000747444 [1,0,0,1,0,0|2,0,0]=4 11868 B13R1.404 CCCC(=O)CSCC1CCCC1 62a_100000740388_100000747444 [1,0,0,1,0,0|1,0,0]=3 11869 B13R1.404 CCCC(=O)CSCC1CCCC1 62a_100000747444_100000740388 [1,0,0,1,0,0|1,0,0]=3 11870 B13R1.404 CCCC(=O)CSCC1CCCO1 1458a_100000217298_100000210303 [1,0,0,1,0,0|2,0,0]=4 11871 B13R1.404 CCCC(=O)CSCC1CCCO1 62a_100000203698_100000747444 [1,0,0,1,0,0|2,0,0]=4 11872 B13R1.404 CCCC(=O)CSCC1CCCO1 62a_100000747444_100000203698 [1,0,0,1,0,0|2,0,0]=4 11873 B13R1.404 CCCC(=O)CSCC1CCOC1 62a_100000702531_100000747444 [1,0,0,1,0,0|2,0,0]=4 11874 B13R1.404 CCCC(=O)CSCC1CCOC1 62a_100000747444_100000702531 [1,0,0,1,0,0|2,0,0]=4 11875 B13R1.404 CCCC(=O)NCCC1CCCC1 11a_100000739158_100000211992 [1,0,0,1,0,0|1,0,0]=3 11876 B13R1.404 CCCC(=O)NCCC1CCCC1 1626a_100000739158_100000211992 [1,0,0,1,0,0|1,0,0]=3 11877 B13R1.404 CCCC(=O)NCCC1CCCC1 240690a_100000739158_100000211992 [1,0,0,1,0,0|1,0,0]=3 11878 B13R1.404 CCCC(=O)NCCC1CCCC1 527a_100000739158_100000211992 [1,0,0,1,0,0|1,0,0]=3 11879 B13R1.404 CCCC(=O)NCCN1CCCC1 240690a_100000212299_100000211992 [1,0,0,1,0,0|2,0,0]=4 11880 B13R1.404 CCCC(=O)OCNC1CCCC1 2230a_100000211070_100000034017 [1,0,0,1,0,0|1,0,0]=3 11881 B13R1.404 CCCC(=O)OCNC1CCCC1 34a_100000211070_100000034017 [1,0,0,1,0,0|1,0,0]=3 11882 B13R1.404 CCCC(=O)OCN[C@@H]1CCOC1 2230a_200015188469_100000034017 [1,0,0,1,0,0|2,0,0]=4 11883 B13R1.404 CCCC(=O)OCN[C@H]1CCOC1 2230a_100015188467_100000034017 [1,0,0,1,0,0|2,0,0]=4 11884 B13R1.404 CCCC(=O)OCN[C@H]1CCOC1 34a_100015188467_100000034017 [1,0,0,1,0,0|2,0,0]=4 11885 B13R1.404 CCCC(=O)OCOC1CCCC1 34a_100000210269_100000034017 [1,0,0,1,0,0|1,0,0]=3 11886 B13R1.404 CCCC(=O)OCOC1CCCO1 34a_100000085407_100000034017 [1,0,0,1,0,0|2,0,0]=4 11887 B13R1.404 CCCC(=O)OCO[C@H]1CCOC1 34a_100000717292_100000034017 [1,0,0,1,0,0|2,0,0]=4 11888 B13R1.404 CCCC(=O)OCSC1CCCC1 62a_100011217020_100000034017 [1,0,0,1,0,0|1,0,0]=3 11889 B13R1.404 CCCC(C)OCCC1CCCC1 34a_100000749090_100000766640 [1,0,0,1,0,0|1,0,1]=4 11890 B13R1.404 CCCC(C)OCCC1CCCC1 34a_100000764384_100000760354 [1,0,0,1,0,0|1,0,1]=4 11891 B13R1.404 CCCC(C)OCCC1CCCC1 7a_100000749090_100000766640 [1,0,0,1,0,0|1,0,1]=4 11892 B13R1.404 CCCC(C)OCCC1CCCC1 7a_100000764384_100000760354 [1,0,0,1,0,0|1,0,1]=4 11893 B13R1.404 CCCN(C)CCCC1CCCC1 2230a_100000747261_100011713738 [1,0,0,1,0,0|2,0,0]=4 11894 B13R1.404 CCCN(C)CCCC1CCCC1 2230a_100015186261_100000210303 [1,0,0,1,0,0|2,0,0]=4 11895 B13R1.404 CCCN(C)CCCC1CCCC1 269982a_100000747261_100011713738 [1,0,0,1,0,0|2,0,0]=4 11896 B13R1.404 CCCN(C)CCCC1CCCC1 269982a_100015186261_100000210303 [1,0,0,1,0,0|2,0,0]=4 11897 B13R1.404 CCCN(C)CCCC1CCCC1 34a_100015186261_100000210303 [1,0,0,1,0,0|2,0,0]=4 11898 B13R1.404 CCNC(=O)CCCN1CCCC1 240690a_100015525214_100000743284 [1,0,0,1,0,0|2,0,0]=4 11899 B13R1.404 CCNC(=O)CCNC1CCCC1 2230a_100000211070_100000737597 [1,0,0,1,0,0|2,0,0]=4 11900 B13R1.404 CCNC(=O)CCNC1CCCC1 270004a_100025743525_100000210133 [1,0,0,1,0,0|2,0,0]=4 11901 B13R1.404 CCNC(=O)CCNC1CCCC1 34a_100025743525_100000179811 [1,0,0,1,0,0|2,0,0]=4 11902 B13R1.404 CCNC(=O)CCOC1CCCC1 7a_100000210269_100000737597 [1,0,0,1,0,0|2,0,0]=4 11903 B13R1.404 CCNC(=O)CCSC1CCCC1 62a_100000737597_100000179811 [1,0,0,1,0,0|2,0,0]=4 11904 B13R1.404 CCNC(=O)CCSC1CCCC1 62a_100011217020_100000737597 [1,0,0,1,0,0|2,0,0]=4 11905 B13R1.404 CCNC(=O)CNCC1CCCC1 2230a_100000737975_100000183381 [1,0,0,1,0,0|2,0,0]=4 11906 B13R1.404 CCNC(=O)CNCC1CCCC1 2230a_100016988866_100000740388 [1,0,0,1,0,0|2,0,0]=4 11907 B13R1.404 CCNC(=O)CNCC1CCCC1 34a_100000737975_100000183381 [1,0,0,1,0,0|2,0,0]=4 11908 B13R1.404 CCNC(=O)COCC1CCCC1 34a_100000742336_100000183381 [1,0,0,1,0,0|2,0,0]=4 11909 B13R1.404 CCNC(=O)COCC1CCCC1 7a_100000742336_100000183381 [1,0,0,1,0,0|2,0,0]=4 11910 B13R1.404 CCNC(=O)CSCC1CCCC1 62a_100000183381_100000740388 [1,0,0,1,0,0|2,0,0]=4 11911 B13R1.404 CCNC(=O)CSCC1CCCC1 62a_100000740388_100000183381 [1,0,0,1,0,0|2,0,0]=4 11912 B13R1.404 CCNC(=O)NCCC1CCCC1 2708a_100000739158_100015525214 [1,0,0,1,0,0|2,0,0]=4 11913 B13R1.404 CCNC(=O)NCCC1CCCC1 2708a_100015525214_100000739158 [1,0,0,1,0,0|2,0,0]=4 11914 B13R1.404 CCNC(=O)NCCC1CCCC1 273464a_100000739158_100015525214 [1,0,0,1,0,0|2,0,0]=4 11915 B13R1.404 CCNC(=O)NCCC1CCCC1 273464a_100015525214_100000739158 [1,0,0,1,0,0|2,0,0]=4 11916 B13R1.404 CCNC(=O)NCCC1CCCC1 512a_100000739158_100015525214 [1,0,0,1,0,0|2,0,0]=4 11917 B13R1.404 CCNC(=O)NCCC1CCCC1 512a_100015525214_100000739158 [1,0,0,1,0,0|2,0,0]=4 11918 B13R1.404 CCOC(=O)CCCN1CCCC1 2230a_100000188435_100009991533 [1,0,0,1,0,0|2,0,0]=4 11919 B13R1.404 CCOC(=O)CCCN1CCCC1 269982a_100000188435_100009991533 [1,0,0,1,0,0|2,0,0]=4 11920 B13R1.404 CCOC(=O)CCNC1CCCC1 2230a_100000211070_100011206558 [1,0,0,1,0,0|2,0,0]=4 11921 B13R1.404 CCOC(=O)CCNC1CCCC1 34a_100000211070_100000765890 [1,0,0,1,0,0|2,0,0]=4 11922 B13R1.404 CCOC(=O)CCOC1CCCC1 34a_100000210269_100000765890 [1,0,0,1,0,0|2,0,0]=4 11923 B13R1.404 CCOC(=O)CCOC1CCCC1 7a_100000210269_100011206558 [1,0,0,1,0,0|2,0,0]=4 11924 B13R1.404 CCOC(=O)CCSC1CCCC1 62a_100000765890_100000179811 [1,0,0,1,0,0|2,0,0]=4 11925 B13R1.404 CCOC(=O)CCSC1CCCC1 62a_100011217020_100000765890 [1,0,0,1,0,0|2,0,0]=4 11926 B13R1.404 CCOC(=O)CNCC1CCCC1 2230a_100000737975_100000188475 [1,0,0,1,0,0|2,0,0]=4 11927 B13R1.404 CCOC(=O)CNCC1CCCC1 34a_100000737975_100000188475 [1,0,0,1,0,0|2,0,0]=4 11928 B13R1.404 CCOC(=O)COCC1CCCC1 34a_100000742336_100000188475 [1,0,0,1,0,0|2,0,0]=4 11929 B13R1.404 CCOC(=O)COCC1CCCC1 7a_100000742336_100000188475 [1,0,0,1,0,0|2,0,0]=4 11930 B13R1.404 CCOC(=O)CSCC1CCCC1 62a_100000188475_100000740388 [1,0,0,1,0,0|2,0,0]=4 11931 B13R1.404 CCOC(=O)CSCC1CCCC1 62a_100000740388_100000188475 [1,0,0,1,0,0|2,0,0]=4 11932 B13R1.404 CCOC(=O)OCSC1CCCC1 62a_100011217020_100000075025 [1,0,0,1,0,0|2,0,0]=4 11933 B13R1.404 COCC(=O)CCCC1CCCC1 1458a_100000210968_100011713738 [1,0,0,1,0,0|1,0,0]=3 11934 B13R1.404 COCC(=O)CCCN1CCCC1 1458a_100000210968_100011445909 [1,0,0,1,0,0|2,0,0]=4 11935 B13R1.404 COCC(=O)NCCC1CCCC1 11a_100000739158_100000210968 [1,0,0,1,0,0|2,0,0]=4 11936 B13R1.404 COCC(=O)NCCC1CCCC1 1626a_100000739158_100000210968 [1,0,0,1,0,0|2,0,0]=4 11937 B13R1.404 COCC(=O)NCCC1CCCC1 240690a_100000739158_100000210968 [1,0,0,1,0,0|2,0,0]=4 11938 B13R1.404 COCC(=O)NCCC1CCCC1 527a_100000739158_100000210968 [1,0,0,1,0,0|2,0,0]=4 11939 B13R1.404 CSCC(=O)CCCC1CCCC1 1458a_100000184570_100011713738 [1,0,0,1,0,0|1,0,0]=3 11940 B13R1.404 CSCC(=O)CCCN1CCCC1 1458a_100000184570_100011445909 [1,0,0,1,0,0|2,0,0]=4 11941 B13R1.404 CSCC(=O)NCCC1CCCC1 11a_100000739158_100000184570 [1,0,0,1,0,0|2,0,0]=4 11942 B13R1.404 CSCC(=O)NCCC1CCCC1 1626a_100000739158_100000184570 [1,0,0,1,0,0|2,0,0]=4 11943 B13R1.404 CSCC(=O)NCCC1CCCC1 240690a_100000739158_100000184570 [1,0,0,1,0,0|2,0,0]=4 11944 B13R1.404 CSCC(=O)NCCC1CCCC1 527a_100000739158_100000184570 [1,0,0,1,0,0|2,0,0]=4 11945 B13R1.404 N#CCC(=O)CCCC1CCCC1 1458a_100051588842_100011713738 [1,0,0,1,0,0|1,0,1]=4 11946 B13R1.404 O=C(CCF)CCCN1CCCC1 1458a_100000743284_100011217306 [1,0,0,1,0,0|2,0,0]=4 11947 B13R1.404 O=C(CCO)CCCC1CCCC1 1458a_100011216618_100011713738 [1,0,0,1,0,0|1,0,0]=3 11948 B13R1.404 O=C(CCO)CCCN1CCCC1 1458a_100000743284_100000211926 [1,0,0,1,0,0|2,0,0]=4 11949 B13R1.404 O=C(CCO)CCCN1CCCC1 1458a_100011216618_100011445909 [1,0,0,1,0,0|2,0,0]=4 11950 B13R1.404 O=C(CCO)NCCC1CCCC1 240690a_100000739158_100011216618 [1,0,0,1,0,0|2,0,0]=4 11951 B13R1.443 CCCC(=O)CN1CCCC1CC 2230a_100000754278_100000747444 [1,0,0,1,0,0|1,0,0]=3 11952 B13R1.443 CCCC(=O)CN1CCCC1CC 269982a_100000754278_100000747444 [1,0,0,1,0,0|1,0,0]=3 11953 B13R1.443 CCCC(=O)CN1CCC[C@@H]1CO 2230a_100000745186_100000747444 [1,0,0,1,0,0|2,0,0]=4 11954 B13R1.443 CCCC(=O)CN1CCC[C@@H]1CO 269982a_100000745186_100000747444 [1,0,0,1,0,0|2,0,0]=4 11955 B13R1.443 CCNC(=O)CN1CCCC1CC 2230a_100000754278_100000183381 [1,0,0,1,0,0|2,0,0]=4 11956 B13R1.443 CCNC(=O)CN1CCCC1CC 269982a_100000754278_100000183381 [1,0,0,1,0,0|2,0,0]=4 11957 B13R1.443 CCNC(=O)CN1CCCC1CC 34a_100000754278_100000183381 [1,0,0,1,0,0|2,0,0]=4 11958 B13R1.443 CCOC(=O)CN1CCCC1CC 2230a_100000754278_100000188475 [1,0,0,1,0,0|2,0,0]=4 11959 B13R1.443 CCOC(=O)CN1CCCC1CC 269982a_100000754278_100000188475 [1,0,0,1,0,0|2,0,0]=4 11960 B13R1.443 CCOC(=O)CN1CCCC1CC 34a_100000754278_100000188475 [1,0,0,1,0,0|2,0,0]=4 11961 B13R1.444 CCCC(=O)CCC1CCCN1C 1458a_100000211992_100000005710 [1,0,0,1,0,0|1,0,0]=3 11962 B13R1.444 CCCC(=O)COC1CCCC1C 7a_100011216460_100000747444 [1,0,0,1,0,0|1,0,0]=3 11963 B13R1.444 CCCC(=O)CS[C@@H]1CCC[C@H]1O 62a_100000747444_200016002552 [1,0,0,1,0,0|2,0,0]=4 11964 B13R1.444 CCCC(=O)CS[C@@H]1CCC[C@H]1O 62a_200016002552_100000747444 [1,0,0,1,0,0|2,0,0]=4 11965 B13R1.444 CCCC(=O)NC[C@@H]1CCCN1C 240690a_100009821018_100000211992 [1,0,0,1,0,0|2,0,0]=4 11966 B13R1.444 CCCC(=O)NC[C@@H]1CCCN1C 527a_100009821018_100000211992 [1,0,0,1,0,0|2,0,0]=4 11967 B13R1.444 CCCC(=O)OCN1CCC[C@@H]1C 2230a_100020605311_100000034017 [1,0,0,1,0,0|1,0,0]=3 11968 B13R1.444 CCCC(=O)OCN1CCC[C@@H]1C 269982a_100020605311_100000034017 [1,0,0,1,0,0|1,0,0]=3 11969 B13R1.444 CCCC(=O)OCN1CCC[C@H]1C 2230a_100015189458_100000034017 [1,0,0,1,0,0|1,0,0]=3 11970 B13R1.444 CCCC(=O)OCN1CCC[C@H]1C 269982a_100015189458_100000034017 [1,0,0,1,0,0|1,0,0]=3 11971 B13R1.444 CCCC(=O)OCN1CCC[C@H]1C 34a_100015189458_100000034017 [1,0,0,1,0,0|1,0,0]=3 11972 B13R1.444 CCCC(=O)OCN1CCSC1C 2230a_200011216479_100000034017 [1,0,0,1,0,0|2,0,0]=4 11973 B13R1.444 CCCC(=O)OCN1CCSC1C 269982a_200011216479_100000034017 [1,0,0,1,0,0|2,0,0]=4 11974 B13R1.444 CCCC(=O)OCN1CCSC1C 34a_200011216479_100000034017 [1,0,0,1,0,0|2,0,0]=4 11975 B13R1.444 CCNC(=O)CCN1CCC[C@@H]1C 2230a_100020605311_100000737597 [1,0,0,1,0,0|2,0,0]=4 11976 B13R1.444 CCNC(=O)CCN1CCC[C@@H]1C 269982a_100020605311_100000737597 [1,0,0,1,0,0|2,0,0]=4 11977 B13R1.444 CCNC(=O)CCN1CCC[C@H]1C 2230a_100015189458_100000737597 [1,0,0,1,0,0|2,0,0]=4 11978 B13R1.444 CCNC(=O)CCN1CCC[C@H]1C 269982a_100015189458_100000737597 [1,0,0,1,0,0|2,0,0]=4 11979 B13R1.444 CCNC(=O)COC1CCCC1C 34a_100011216460_100000183381 [1,0,0,1,0,0|2,0,0]=4 11980 B13R1.444 CCNC(=O)COC1CCCC1C 7a_100011216460_100000183381 [1,0,0,1,0,0|2,0,0]=4 11981 B13R1.444 CCOC(=O)CCN1CCC[C@@H]1C 2230a_100020605311_100011206558 [1,0,0,1,0,0|2,0,0]=4 11982 B13R1.444 CCOC(=O)CCN1CCC[C@@H]1C 269982a_100020605311_100011206558 [1,0,0,1,0,0|2,0,0]=4 11983 B13R1.444 CCOC(=O)CCN1CCC[C@H]1C 2230a_100015189458_100011206558 [1,0,0,1,0,0|2,0,0]=4 11984 B13R1.444 CCOC(=O)CCN1CCC[C@H]1C 269982a_100015189458_100011206558 [1,0,0,1,0,0|2,0,0]=4 11985 B13R1.444 CCOC(=O)CCN1CCC[C@H]1C 34a_100015189458_100000765890 [1,0,0,1,0,0|2,0,0]=4 11986 B13R1.444 CCOC(=O)COC1CCCC1C 34a_100011216460_100000188475 [1,0,0,1,0,0|2,0,0]=4 11987 B13R1.444 CCOC(=O)COC1CCCC1C 7a_100011216460_100000188475 [1,0,0,1,0,0|2,0,0]=4 11988 B13R1.444 CN1CCCC1CCC(=O)CCO 1458a_100011216618_100000005710 [1,0,0,1,0,0|2,0,0]=4 11989 B13R1.444 COCC(=O)CCC1CCCN1C 1458a_100000210968_100000005710 [1,0,0,1,0,0|2,0,0]=4 11990 B13R1.444 CSCC(=O)CCC1CCCN1C 1458a_100000184570_100000005710 [1,0,0,1,0,0|2,0,0]=4 11991 B13R1.447 CCCC(=O)OCOCC1CC1C 34a_100000744939_100000034017 [1,0,0,1,0,0|1,0,0]=3 11992 B13R1.447 CCNC(=O)CCOCC1CC1C 7a_100000744939_100000737597 [1,0,0,1,0,0|2,0,0]=4 11993 B13R1.447 CCOC(=O)CCOCC1CC1C 34a_100000744939_100000765890 [1,0,0,1,0,0|2,0,0]=4 11994 B13R1.447 CCOC(=O)CCOCC1CC1C 7a_100000744939_100011206558 [1,0,0,1,0,0|2,0,0]=4 11995 B13R1.448 CCCC(=O)OCNCC1CCC1 2230a_100000738700_100000034017 [1,0,0,1,0,0|1,0,0]=3 11996 B13R1.448 CCCC(=O)OCNCC1CCC1 34a_100000738700_100000034017 [1,0,0,1,0,0|1,0,0]=3 11997 B13R1.448 CCCC(=O)OCNCC1COC1 2230a_100015281925_100000034017 [1,0,0,1,0,0|2,0,0]=4 11998 B13R1.448 CCCC(=O)OCNCC1COC1 34a_100015281925_100000034017 [1,0,0,1,0,0|2,0,0]=4 11999 B13R1.448 CCCC(=O)OCNC[C@@H]1CCO1 2230a_100020831831_100000034017 [1,0,0,1,0,0|2,0,0]=4 12000 B13R1.448 CCCC(=O)OCNC[C@@H]1CCO1 34a_100020831831_100000034017 [1,0,0,1,0,0|2,0,0]=4 12001 B13R1.448 CCCC(=O)OCOCC1CCC1 34a_100000760304_100000034017 [1,0,0,1,0,0|1,0,0]=3 12002 B13R1.448 CCCC(=O)OCOCC1CCO1 34a_100000039022_100000034017 [1,0,0,1,0,0|2,0,0]=4 12003 B13R1.448 CCCC(=O)OCOCC1CNC1 34a_100016987283_100000034017 [1,0,0,1,0,0|2,0,0]=4 12004 B13R1.448 CCCC(=O)OCOCC1COC1 34a_100000060846_100000034017 [1,0,0,1,0,0|2,0,0]=4 12005 B13R1.448 CCCC(=O)OCSCC1CCC1 62a_100000763275_100000034017 [1,0,0,1,0,0|1,0,0]=3 12006 B13R1.448 CCCC(=O)OCSCC1CCO1 62a_100000103362_100000034017 [1,0,0,1,0,0|2,0,0]=4 12007 B13R1.448 CCCC(=O)OCSCC1COC1 62a_100010264016_100000034017 [1,0,0,1,0,0|2,0,0]=4 12008 B13R1.448 CCNC(=O)CCNCC1CCC1 2230a_100000738700_100000737597 [1,0,0,1,0,0|2,0,0]=4 12009 B13R1.448 CCNC(=O)CCNCC1CCC1 269862a_100025743525_100000753134 [1,0,0,1,0,0|2,0,0]=4 12010 B13R1.448 CCNC(=O)CCNCC1CCC1 34a_100025743525_100000763275 [1,0,0,1,0,0|2,0,0]=4 12011 B13R1.448 CCNC(=O)CCSCC1CCC1 62a_100000737597_100000763275 [1,0,0,1,0,0|2,0,0]=4 12012 B13R1.448 CCNC(=O)CCSCC1CCC1 62a_100000763275_100000737597 [1,0,0,1,0,0|2,0,0]=4 12013 B13R1.448 CCOC(=O)CCCCN1CCC1 269982a_100000754969_100000750268 [1,0,0,1,0,0|2,0,0]=4 12014 B13R1.448 CCOC(=O)CCCNC1CCC1 2230a_100000749019_100009991533 [1,0,0,1,0,0|2,0,0]=4 12015 B13R1.448 CCOC(=O)CCCNC1CCC1 34a_100000749019_100009991533 [1,0,0,1,0,0|2,0,0]=4 12016 B13R1.448 CCOC(=O)CCCOC1CCC1 34a_100000748187_100009991533 [1,0,0,1,0,0|2,0,0]=4 12017 B13R1.448 CCOC(=O)CCCSC1CCC1 62a_100009991533_100000749161 [1,0,0,1,0,0|2,0,0]=4 12018 B13R1.448 CCOC(=O)CCNCC1CCC1 2230a_100000738700_100011206558 [1,0,0,1,0,0|2,0,0]=4 12019 B13R1.448 CCOC(=O)CCNCC1CCC1 34a_100000738700_100000765890 [1,0,0,1,0,0|2,0,0]=4 12020 B13R1.448 CCOC(=O)CCOCC1CCC1 34a_100000760304_100000765890 [1,0,0,1,0,0|2,0,0]=4 12021 B13R1.448 CCOC(=O)CCSCC1CCC1 62a_100000763275_100000765890 [1,0,0,1,0,0|2,0,0]=4 12022 B13R1.448 CCOC(=O)CCSCC1CCC1 62a_100000765890_100000763275 [1,0,0,1,0,0|2,0,0]=4 12023 B13R1.448 CCOC(=O)OCSCC1CCC1 62a_100000763275_100000075025 [1,0,0,1,0,0|2,0,0]=4 12024 B13R1.453 CCCC(=O)CSCCCC1CO1 62a_100000733510_100000747444 [1,0,0,1,0,0|2,0,0]=4 12025 B13R1.453 CCCC(=O)CSCCCC1CO1 62a_100000747444_100000733510 [1,0,0,1,0,0|2,0,0]=4 12026 B13R1.453 CCCC(=O)OCNCCC1CC1 34a_100000764129_100000034017 [1,0,0,1,0,0|1,0,0]=3 12027 B13R1.453 CCCC(=O)OCOCCC1CC1 34a_100000754188_100000034017 [1,0,0,1,0,0|1,0,0]=3 12028 B13R1.453 CCCC(=O)OCOCC[C@@H]1CO1 34a_100009820653_100000034017 [1,0,0,1,0,0|2,0,0]=4 12029 B13R1.453 CCCC(=O)OCSCCC1CC1 62a_100000764125_100000034017 [1,0,0,1,0,0|1,0,0]=3 12030 B13R1.453 CCCC(=O)OCSCCC1CO1 62a_100000732470_100000034017 [1,0,0,1,0,0|2,0,0]=4 12031 B13R1.453 CCNC(=O)CCNCCC1CC1 34a_100025743525_100000694398 [1,0,0,1,0,0|2,0,0]=4 12032 B13R1.453 CCNC(=O)CCOCCC1CC1 7a_100000754188_100000737597 [1,0,0,1,0,0|2,0,0]=4 12033 B13R1.453 CCNC(=O)CCSCCC1CC1 62a_100000737597_100000764125 [1,0,0,1,0,0|2,0,0]=4 12034 B13R1.453 CCNC(=O)CCSCCC1CC1 62a_100000764125_100000737597 [1,0,0,1,0,0|2,0,0]=4 12035 B13R1.453 CCOC(=O)CCCCNC1CC1 34a_100000212008_100000750268 [1,0,0,1,0,0|2,0,0]=4 12036 B13R1.453 CCOC(=O)CCCCSC1CC1 62a_100000750268_100000211595 [1,0,0,1,0,0|2,0,0]=4 12037 B13R1.453 CCOC(=O)CCCNCC1CC1 2230a_100000735609_100009991533 [1,0,0,1,0,0|2,0,0]=4 12038 B13R1.453 CCOC(=O)CCCNCC1CC1 34a_100000735609_100009991533 [1,0,0,1,0,0|2,0,0]=4 12039 B13R1.453 CCOC(=O)CCCOCC1CC1 34a_100000211283_100009991533 [1,0,0,1,0,0|2,0,0]=4 12040 B13R1.453 CCOC(=O)CCCOCC1CC1 7a_100012001163_100000742324 [1,0,0,1,0,0|2,0,0]=4 12041 B13R1.453 CCOC(=O)CCCSCC1CC1 62a_100000756562_100009991533 [1,0,0,1,0,0|2,0,0]=4 12042 B13R1.453 CCOC(=O)CCCSCC1CC1 62a_100009991533_100000742324 [1,0,0,1,0,0|2,0,0]=4 12043 B13R1.453 CCOC(=O)CCNCCC1CC1 34a_100000764129_100000765890 [1,0,0,1,0,0|2,0,0]=4 12044 B13R1.453 CCOC(=O)CCOCCC1CC1 34a_100000754188_100000765890 [1,0,0,1,0,0|2,0,0]=4 12045 B13R1.453 CCOC(=O)CCOCCC1CC1 7a_100000754188_100011206558 [1,0,0,1,0,0|2,0,0]=4 12046 B13R1.453 CCOC(=O)CCSCCC1CC1 62a_100000764125_100000765890 [1,0,0,1,0,0|2,0,0]=4 12047 B13R1.453 CCOC(=O)CCSCCC1CC1 62a_100000765890_100000764125 [1,0,0,1,0,0|2,0,0]=4 12048 B13R1.453 CCOC(=O)OCSCCC1CC1 62a_100000764125_100000075025 [1,0,0,1,0,0|2,0,0]=4 12049 B13R1.461 CCOC(=O)CCCN1CCC1C 269982a_100000755817_100009991533 [1,0,0,1,0,0|2,0,0]=4 12050 B13R1.461 CCOC(=O)CCCN1CCC1C 34a_100000755817_100009991533 [1,0,0,1,0,0|2,0,0]=4 12051 B13R1.463 CCCC(=O)C1CCCCCC1=O 1458a_100000211992_100000243696 [1,0,0,1,0,0|1,0,1]=4 12052 B13R1.463 CCCC(=O)C1CCCCCN1C 1458a_100015187800_100000210303 [1,0,0,1,0,0|1,0,0]=3 12053 B13R1.463 CCNC(=O)C1CCCCCN1C 240690a_100015525214_100015187800 [1,0,0,1,0,0|2,0,0]=4 12054 B13R1.463 CCNC(=O)C1CCCCCN1C 527a_100015525214_100015187800 [1,0,0,1,0,0|2,0,0]=4 12055 B13R1.463 CN1CCCCCC1C(=O)CCF 1458a_100015187800_100011217306 [1,0,0,1,0,0|2,0,0]=4 12056 B13R1.463 CN1CCCCCC1C(=O)CCO 1458a_100015187800_100000211926 [1,0,0,1,0,0|2,0,0]=4 12057 B13R1.464 CCC1CCCCN1C(=O)CCO 240690a_100000210034_100011216618 [1,0,0,1,0,0|2,0,0]=4 12058 B13R1.464 CCC1CCCCN1C(=O)CNC 2230a_106832991635_100000183412 [1,0,0,1,0,0|2,0,0]=4 12059 B13R1.464 CCC1CCCCN1C(=O)CNC 34a_100102657272_100000183412 [1,0,0,1,0,0|2,0,0]=4 12060 B13R1.464 CCC1CCCCN1C(=O)CNC 7a_106832991635_100000183412 [1,0,0,1,0,0|2,0,0]=4 12061 B13R1.464 CCC1CCCCN1C(=O)COC 11a_100000210034_100000210968 [1,0,0,1,0,0|2,0,0]=4 12062 B13R1.464 CCC1CCCCN1C(=O)COC 1626a_100000210034_100000210968 [1,0,0,1,0,0|2,0,0]=4 12063 B13R1.464 CCC1CCCCN1C(=O)COC 240690a_100000210034_100000210968 [1,0,0,1,0,0|2,0,0]=4 12064 B13R1.464 CCC1CCCCN1C(=O)COC 34a_100138415774_100000183412 [1,0,0,1,0,0|2,0,0]=4 12065 B13R1.464 CCC1CCCCN1C(=O)COC 527a_100000210034_100000210968 [1,0,0,1,0,0|2,0,0]=4 12066 B13R1.464 CCC1CCCCN1C(=O)CSC 11a_100000210034_100000184570 [1,0,0,1,0,0|2,0,0]=4 12067 B13R1.464 CCC1CCCCN1C(=O)CSC 1626a_100000210034_100000184570 [1,0,0,1,0,0|2,0,0]=4 12068 B13R1.464 CCC1CCCCN1C(=O)CSC 240690a_100000210034_100000184570 [1,0,0,1,0,0|2,0,0]=4 12069 B13R1.464 CCC1CCCCN1C(=O)CSC 527a_100000210034_100000184570 [1,0,0,1,0,0|2,0,0]=4 12070 B13R1.464 CCC1CCCCN1C(=O)CSC 62a_100000183412_200000210301 [1,0,0,1,0,0|2,0,0]=4 12071 B13R1.464 CCC1CCCCN1C(=O)CSC 62a_200000210301_100000183412 [1,0,0,1,0,0|2,0,0]=4 12072 B13R1.464 CCC1CCCCN1C(=O)CS[13CH3] 62a_100000183412_200025704644 [1,0,0,1,0,0|2,0,0]=4 12073 B13R1.464 CCC1CCCCN1C(=O)CS[13CH3] 62a_200025704644_100000183412 [1,0,0,1,0,0|2,0,0]=4 12074 B13R1.464 CCCC(=O)C1CCCCN1CC 1458a_100000743832_100000210303 [1,0,0,1,0,0|1,0,0]=3 12075 B13R1.464 CCCC(=O)N1CCCCC1CC 11a_100000210034_100000211992 [1,0,0,1,0,0|1,0,0]=3 12076 B13R1.464 CCCC(=O)N1CCCCC1CC 1626a_100000210034_100000211992 [1,0,0,1,0,0|1,0,0]=3 12077 B13R1.464 CCCC(=O)N1CCCCC1CC 240690a_100000210034_100000211992 [1,0,0,1,0,0|1,0,0]=3 12078 B13R1.464 CCCC(=O)N1CCCCC1CC 527a_100000210034_100000211992 [1,0,0,1,0,0|1,0,0]=3 12079 B13R1.464 CCCC(=O)N1CCCCC1CO 240690a_100000210821_100000211992 [1,0,0,1,0,0|2,0,0]=4 12080 B13R1.464 CCCC(=O)N1CCOC[C@@H]1CC 11a_100016988097_100000211992 [1,0,0,1,0,0|2,0,0]=4 12081 B13R1.464 CCCC(=O)N1CCOC[C@@H]1CC 1626a_100016988097_100000211992 [1,0,0,1,0,0|2,0,0]=4 12082 B13R1.464 CCCC(=O)N1CCOC[C@@H]1CC 240690a_100016988097_100000211992 [1,0,0,1,0,0|2,0,0]=4 12083 B13R1.464 CCCC(=O)N1CCOC[C@@H]1CC 527a_100016988097_100000211992 [1,0,0,1,0,0|2,0,0]=4 12084 B13R1.464 CCCN(C)C1CCCCC1CC 270004a_100000747261_100000757040 [1,0,0,1,0,0|2,0,0]=4 12085 B13R1.464 CCN1CCCCC1C(=O)CCF 1458a_100000743832_100011217306 [1,0,0,1,0,0|2,0,0]=4 12086 B13R1.464 CCN1CCCCC1C(=O)CCO 1458a_100000743832_100000211926 [1,0,0,1,0,0|2,0,0]=4 12087 B13R1.464 CCNC(=O)C1CCCCN1CC 11a_100015525214_100000743832 [1,0,0,1,0,0|2,0,0]=4 12088 B13R1.464 CCNC(=O)C1CCCCN1CC 240690a_100015525214_100000743832 [1,0,0,1,0,0|2,0,0]=4 12089 B13R1.464 CCNC(=O)C1CCCCN1CC 527a_100015525214_100000743832 [1,0,0,1,0,0|2,0,0]=4 12090 B13R1.464 CCNC(=O)N1CCCCC1CC 2708a_100015525214_100000210034 [1,0,0,1,0,0|2,0,0]=4 12091 B13R1.464 CCNC(=O)N1CCCCC1CC 273464a_100015525214_100000210034 [1,0,0,1,0,0|2,0,0]=4 12092 B13R1.464 CCOC(=O)C1CCCCC1OC 7a_100000038711_200000210301 [1,0,0,1,0,0|2,0,0]=4 12093 B13R1.464 CCOC(=O)C1CCCCC1O[13CH3] 7a_100000038711_200025704644 [1,0,0,1,0,0|2,0,0]=4 12094 B13R1.464 CCOC(=O)C1CCCCN1CC 2230a_100016990872_100000210202 [1,0,0,1,0,0|2,0,0]=4 12095 B13R1.464 CCOC(=O)C1CCCCN1CC 269982a_100016990872_100000204670 [1,0,0,1,0,0|2,0,0]=4 12096 B13R1.470 CC1CCCCC1NC(=O)CCO 240690a_100000211402_100011216618 [1,0,0,1,0,0|2,0,0]=4 12097 B13R1.470 CC1CCCCC1NC(=O)CS[13CH3] 62a_100000182742_200025704644 [1,0,0,1,0,0|2,0,0]=4 12098 B13R1.470 CC1CCCCC1NC(=O)CS[13CH3] 62a_200025704644_100000182742 [1,0,0,1,0,0|2,0,0]=4 12099 B13R1.470 CCCC(=O)CC1CCCCN1C 1458a_100000211992_100015185383 [1,0,0,1,0,0|1,0,0]=3 12100 B13R1.470 CCCC(=O)CN1CCCCC1C 2230a_100000211376_100000747444 [1,0,0,1,0,0|1,0,0]=3 12101 B13R1.470 CCCC(=O)CN1CCCCC1C 269982a_100000211376_100000747444 [1,0,0,1,0,0|1,0,0]=3 12102 B13R1.470 CCCC(=O)CN1CCOC[C@@H]1C 2230a_100009815349_100000747444 [1,0,0,1,0,0|2,0,0]=4 12103 B13R1.470 CCCC(=O)CN1CCOC[C@@H]1C 269982a_100009815349_100000747444 [1,0,0,1,0,0|2,0,0]=4 12104 B13R1.470 CCCC(=O)NC1CCCCC1C 11a_100000211402_100000211992 [1,0,0,1,0,0|1,0,0]=3 12105 B13R1.470 CCCC(=O)NC1CCCCC1C 1626a_100000211402_100000211992 [1,0,0,1,0,0|1,0,0]=3 12106 B13R1.470 CCCC(=O)NC1CCCCC1C 240690a_100000211402_100000211992 [1,0,0,1,0,0|1,0,0]=3 12107 B13R1.470 CCCC(=O)NC1CCCCC1C 527a_100000211402_100000211992 [1,0,0,1,0,0|1,0,0]=3 12108 B13R1.470 CCCC(=O)N[C@@H]1CCCC[C@@H]1O 240690a_100015191688_100000211992 [1,0,0,1,0,0|2,0,0]=4 12109 B13R1.470 CCCC(=O)N[C@@H]1CCCC[C@@H]1O 527a_100015191688_100000211992 [1,0,0,1,0,0|2,0,0]=4 12110 B13R1.470 CCCC(=O)N[C@@H]1CCCC[C@H]1F 11a_100015195156_100000211992 [1,0,0,1,0,0|2,0,0]=4 12111 B13R1.470 CCCC(=O)N[C@@H]1CCCC[C@H]1F 1626a_100015195156_100000211992 [1,0,0,1,0,0|2,0,0]=4 12112 B13R1.470 CCCC(=O)N[C@@H]1CCCC[C@H]1F 240690a_100015195156_100000211992 [1,0,0,1,0,0|2,0,0]=4 12113 B13R1.470 CCCC(=O)N[C@@H]1CCCC[C@H]1F 527a_100015195156_100000211992 [1,0,0,1,0,0|2,0,0]=4 12114 B13R1.470 CCCC(C)OC1CCCCC1C 34a_100000211207_100000766640 [1,0,0,1,0,0|1,0,1]=4 12115 B13R1.470 CCCC(C)OC1CCCCC1C 7a_100000211207_100000766640 [1,0,0,1,0,0|1,0,1]=4 12116 B13R1.470 CCNC(=O)CN1CCCCC1C 2230a_100000211376_100000183381 [1,0,0,1,0,0|2,0,0]=4 12117 B13R1.470 CCNC(=O)CN1CCCCC1C 269982a_100000211376_100000183381 [1,0,0,1,0,0|2,0,0]=4 12118 B13R1.470 CCNC(=O)CN1CCCCC1C 34a_100000211376_100000183381 [1,0,0,1,0,0|2,0,0]=4 12119 B13R1.470 CCNC(=O)NC1CCCCC1C 2708a_100000211402_100015525214 [1,0,0,1,0,0|2,0,0]=4 12120 B13R1.470 CCNC(=O)NC1CCCCC1C 2708a_100015525214_100000211402 [1,0,0,1,0,0|2,0,0]=4 12121 B13R1.470 CCNC(=O)NC1CCCCC1C 273464a_100000211402_100015525214 [1,0,0,1,0,0|2,0,0]=4 12122 B13R1.470 CCNC(=O)NC1CCCCC1C 273464a_100015525214_100000211402 [1,0,0,1,0,0|2,0,0]=4 12123 B13R1.470 CCNC(=O)NC1CCCCC1C 512a_100000211402_100015525214 [1,0,0,1,0,0|2,0,0]=4 12124 B13R1.470 CCNC(=O)NC1CCCCC1C 512a_100015525214_100000211402 [1,0,0,1,0,0|2,0,0]=4 12125 B13R1.470 CCOC(=O)CC1CCCCN1C 2230a_100116209990_200000210301 [1,0,0,1,0,0|2,0,0]=4 12126 B13R1.470 CCOC(=O)CC1CCCCN1C 269982a_100116209990_200000210301 [1,0,0,1,0,0|2,0,0]=4 12127 B13R1.470 CCOC(=O)CC1CCCCN1[13CH3] 2230a_100116209990_200025704644 [1,0,0,1,0,0|2,0,0]=4 12128 B13R1.470 CCOC(=O)CC1CCCCN1[13CH3] 269982a_100116209990_200025704644 [1,0,0,1,0,0|2,0,0]=4 12129 B13R1.470 CCOC(=O)CN1CCCCC1C 2230a_100000211376_100000188475 [1,0,0,1,0,0|2,0,0]=4 12130 B13R1.470 CCOC(=O)CN1CCCCC1C 269982a_100000211376_100000188475 [1,0,0,1,0,0|2,0,0]=4 12131 B13R1.470 CCOC(=O)CN1CCCCC1C 34a_100000211376_100000188475 [1,0,0,1,0,0|2,0,0]=4 12132 B13R1.470 CN1CCCCC1CC(=O)CCO 1458a_100011216618_100015185383 [1,0,0,1,0,0|2,0,0]=4 12133 B13R1.470 CNCC(=O)NC1CCCCC1C 2230a_106832991635_100000182742 [1,0,0,1,0,0|2,0,0]=4 12134 B13R1.470 CNCC(=O)NC1CCCCC1C 34a_100102657272_100000182742 [1,0,0,1,0,0|2,0,0]=4 12135 B13R1.470 CNCC(=O)NC1CCCCC1C 7a_106832991635_100000182742 [1,0,0,1,0,0|2,0,0]=4 12136 B13R1.470 COCC(=O)CC1CCCCN1C 1458a_100000210968_100015185383 [1,0,0,1,0,0|2,0,0]=4 12137 B13R1.470 COCC(=O)NC1CCCCC1C 11a_100000211402_100000210968 [1,0,0,1,0,0|2,0,0]=4 12138 B13R1.470 COCC(=O)NC1CCCCC1C 1626a_100000211402_100000210968 [1,0,0,1,0,0|2,0,0]=4 12139 B13R1.470 COCC(=O)NC1CCCCC1C 240690a_100000211402_100000210968 [1,0,0,1,0,0|2,0,0]=4 12140 B13R1.470 COCC(=O)NC1CCCCC1C 34a_100138415774_100000182742 [1,0,0,1,0,0|2,0,0]=4 12141 B13R1.470 COCC(=O)NC1CCCCC1C 527a_100000211402_100000210968 [1,0,0,1,0,0|2,0,0]=4 12142 B13R1.470 CSCC(=O)CC1CCCCN1C 1458a_100000184570_100015185383 [1,0,0,1,0,0|2,0,0]=4 12143 B13R1.470 CSCC(=O)NC1CCCCC1C 11a_100000211402_100000184570 [1,0,0,1,0,0|2,0,0]=4 12144 B13R1.470 CSCC(=O)NC1CCCCC1C 1626a_100000211402_100000184570 [1,0,0,1,0,0|2,0,0]=4 12145 B13R1.470 CSCC(=O)NC1CCCCC1C 240690a_100000211402_100000184570 [1,0,0,1,0,0|2,0,0]=4 12146 B13R1.470 CSCC(=O)NC1CCCCC1C 527a_100000211402_100000184570 [1,0,0,1,0,0|2,0,0]=4 12147 B13R1.470 CSCC(=O)NC1CCCCC1C 62a_100000182742_200000210301 [1,0,0,1,0,0|2,0,0]=4 12148 B13R1.470 CSCC(=O)NC1CCCCC1C 62a_200000210301_100000182742 [1,0,0,1,0,0|2,0,0]=4 12149 B13R1.654 CCCCCCNC1CCCC1=O 2230a_100000210581_100000211823 [1,0,0,1,0,0|1,0,0]=3 12150 B13R1.654 CCCCCCNC1CCNC1=O 2230a_100016995588_100000210314 [1,0,0,1,0,0|2,0,0]=4 12151 B13R1.654 CCCCCCNC1CCNC1=O 34a_100016995588_100000210314 [1,0,0,1,0,0|2,0,0]=4 12152 B13R1.654 CCCCCCNC1CCOC1=O 2230a_100000210581_100000211211 [1,0,0,1,0,0|2,0,0]=4 12153 B13R1.654 CCCCCCOC1CCCC1=O 34a_100000210259_100000709159 [1,0,0,1,0,0|1,0,0]=3 12154 B13R1.654 CCCCCCOC1CCCC1=O 34a_200000719330_100000210314 [1,0,0,1,0,0|1,0,0]=3 12155 B13R1.654 CCCCCCOC1CCCC1=O 7a_100000210259_100000211823 [1,0,0,1,0,0|1,0,0]=3 12156 B13R1.654 CCCCCCOC1CCOC1=O 34a_100000210259_100000211211 [1,0,0,1,0,0|2,0,0]=4 12157 B13R1.654 CCCCCCOC1CCOC1=O 7a_100000210259_100000211211 [1,0,0,1,0,0|2,0,0]=4 12158 B13R1.654 CCCCCCO[C@H]1CCNC1=O 34a_100000688343_100000210314 [1,0,0,1,0,0|2,0,0]=4 12159 B13R1.654 CCCCCCSC1CCCC1=O 62a_100000210314_100000211823 [1,0,0,1,0,0|1,0,0]=3 12160 B13R1.654 CCCCCCSC1CCCC1=O 62a_100000211823_100000210757 [1,0,0,1,0,0|1,0,0]=3 12161 B13R1.654 CCCCCCSC1CCOC1=O 62a_100000210314_100000211211 [1,0,0,1,0,0|2,0,0]=4 12162 B13R1.654 CCCCCCSC1CCOC1=O 62a_100000211211_100000210757 [1,0,0,1,0,0|2,0,0]=4 12163 B13R1.654 CCCCCOCC1CCNC1=O 34a_100000133458_100000718602 [1,0,0,1,0,0|2,0,0]=4 12164 B13R1.654 CCCCCSCN1CCCC1=O 62a_100000026320_100000210326 [1,0,0,1,0,0|2,0,0]=4 12165 B13R1.654 CCCCCSCN1CCCC1=O 62a_100000210326_100000026320 [1,0,0,1,0,0|2,0,0]=4 12166 B13R1.654 CCCCNCCN1CCCC1=O 2230a_100000102301_100000739059 [1,0,0,1,0,0|2,0,0]=4 12167 B13R1.654 CCCCNCCN1CCCC1=O 2230a_100011200922_100000210211 [1,0,0,1,0,0|2,0,0]=4 12168 B13R1.654 CCCCNCCN1CCCC1=O 7a_106832991798_100000739059 [1,0,0,1,0,0|2,0,0]=4 12169 B13R1.654 CCCCOCCN1CCCC1=O 34a_100000210227_100000739059 [1,0,0,1,0,0|2,0,0]=4 12170 B13R1.654 CCCCOCCN1CCCC1=O 34a_100000211209_100000210210 [1,0,0,1,0,0|2,0,0]=4 12171 B13R1.654 CCCCOCCN1CCCC1=O 7a_100000210227_100000739059 [1,0,0,1,0,0|2,0,0]=4 12172 B13R1.654 CCCCOCCN1CCCC1=O 7a_100000211209_100000210211 [1,0,0,1,0,0|2,0,0]=4 12173 B13R1.654 CCCCOCOC1CCCC1=O 34a_200000719330_100011995733 [1,0,0,1,0,0|2,0,0]=4 12174 B13R1.654 CCCCOCSC1CCCC1=O 62a_100000211823_100011995733 [1,0,0,1,0,0|2,0,0]=4 12175 B13R1.654 CCCCOCSC1CCCC1=O 62a_100011995733_100000211823 [1,0,0,1,0,0|2,0,0]=4 12176 B13R1.654 CCCCSCCN1CCCC1=O 62a_100000210211_100000739059 [1,0,0,1,0,0|2,0,0]=4 12177 B13R1.654 CCCCSCCN1CCCC1=O 62a_100000739059_100000210210 [1,0,0,1,0,0|2,0,0]=4 12178 B13R1.654 CCCNCCCN1CCCC1=O 2230a_100000210347_100000210303 [1,0,0,1,0,0|2,0,0]=4 12179 B13R1.654 CCCNCCCN1CCCC1=O 34a_100000210347_100000210303 [1,0,0,1,0,0|2,0,0]=4 12180 B13R1.654 CCCOCCCN1CCCC1=O 34a_100011216539_100000210303 [1,0,0,1,0,0|2,0,0]=4 12181 B13R1.654 CCCOCCCN1CCCC1=O 7a_100011216539_100000210303 [1,0,0,1,0,0|2,0,0]=4 12182 B13R1.654 CCCOCCNC1CCCC1=O 2230a_100161115042_100000211823 [1,0,0,1,0,0|2,0,0]=4 12183 B13R1.654 CCCOCCNC1CCCC1=O 34a_100161115042_100000709159 [1,0,0,1,0,0|2,0,0]=4 12184 B13R1.654 CCCOCCOC1CCCC1=O 34a_100000752267_100000709159 [1,0,0,1,0,0|2,0,0]=4 12185 B13R1.654 CCCOCCOC1CCCC1=O 34a_200000719330_100011215938 [1,0,0,1,0,0|2,0,0]=4 12186 B13R1.654 CCCOCCOC1CCCC1=O 7a_100000752267_100000211823 [1,0,0,1,0,0|2,0,0]=4 12187 B13R1.654 CCCOCCSC1CCCC1=O 62a_100000211823_100011215938 [1,0,0,1,0,0|2,0,0]=4 12188 B13R1.654 CCCOCCSC1CCCC1=O 62a_100011215938_100000211823 [1,0,0,1,0,0|2,0,0]=4 12189 B13R1.654 CCCSCCNC1CCCC1=O 2230a_100020603323_100000211823 [1,0,0,1,0,0|2,0,0]=4 12190 B13R1.654 CCCSCCOC1CCCC1=O 34a_200000230433_100000709159 [1,0,0,1,0,0|2,0,0]=4 12191 B13R1.654 CCCSCCOC1CCCC1=O 7a_200000230433_100000211823 [1,0,0,1,0,0|2,0,0]=4 12192 B13R1.654 CCOCCCNC1CCCC1=O 2230a_100000210961_100000211823 [1,0,0,1,0,0|2,0,0]=4 12193 B13R1.654 CCOCCCNC1CCCC1=O 34a_100000210961_100000709159 [1,0,0,1,0,0|2,0,0]=4 12194 B13R1.654 CCOCCCOC1CCCC1=O 34a_100000757476_100000709159 [1,0,0,1,0,0|2,0,0]=4 12195 B13R1.654 CCOCCCOC1CCCC1=O 34a_200000719330_100012232248 [1,0,0,1,0,0|2,0,0]=4 12196 B13R1.654 CCOCCCOC1CCCC1=O 7a_100000757476_100000211823 [1,0,0,1,0,0|2,0,0]=4 12197 B13R1.654 CCOCCCSC1CCCC1=O 62a_100000211823_100012232248 [1,0,0,1,0,0|2,0,0]=4 12198 B13R1.654 CCOCCCSC1CCCC1=O 62a_100012232248_100000211823 [1,0,0,1,0,0|2,0,0]=4 12199 B13R1.654 CCSCCCOC1CCCC1=O 34a_100011216438_100000709159 [1,0,0,1,0,0|2,0,0]=4 12200 B13R1.654 CCSCCCOC1CCCC1=O 7a_100011216438_100000211823 [1,0,0,1,0,0|2,0,0]=4 12201 B13R1.654 COCCCCOC1CCCC1=O 34a_100000740925_100000709159 [1,0,0,1,0,0|2,0,0]=4 12202 B13R1.654 COCCCCOC1CCCC1=O 34a_200000719330_100000755781 [1,0,0,1,0,0|2,0,0]=4 12203 B13R1.654 COCCCCSC1CCCC1=O 62a_100000211823_100000730899 [1,0,0,1,0,0|2,0,0]=4 12204 B13R1.654 COCCCCSC1CCCC1=O 62a_100000730899_100000211823 [1,0,0,1,0,0|2,0,0]=4 12205 B13R1.654 CSCCCCOC1CCCC1=O 34a_100011217163_100000709159 [1,0,0,1,0,0|2,0,0]=4 12206 B13R1.654 CSCCCCOC1CCCC1=O 7a_100011217163_100000211823 [1,0,0,1,0,0|2,0,0]=4 12207 B13R1.654 NCCCCCOC1CCCC1=O 34a_100000762737_100000709159 [1,0,0,1,0,0|2,0,0]=4 12208 B13R1.654 O=C1CCCC1NCCCCCO 2230a_100000762737_100000211823 [1,0,0,1,0,0|2,0,0]=4 12209 B13R1.654 O=C1CCCC1NCCCCCO 34a_100000762737_100000709159 [1,0,0,1,0,0|2,0,0]=4 12210 B13R1.654 O=C1CCCC1OCCCCCBr 34a_100000746331_100000709159 [1,0,0,1,0,0|2,0,0]=4 12211 B13R1.654 O=C1CCCC1OCCCCCBr 7a_100000746331_100000211823 [1,0,0,1,0,0|2,0,0]=4 12212 B13R1.654 O=C1CCCC1OCCCCCCl 34a_100000746330_100000709159 [1,0,0,1,0,0|2,0,0]=4 12213 B13R1.654 O=C1CCCC1OCCCCCCl 7a_100000746330_100000211823 [1,0,0,1,0,0|2,0,0]=4 12214 B13R1.654 O=C1CCCC1OCCCCCF 34a_200000719330_100000729378 [1,0,0,1,0,0|2,0,0]=4 12215 B13R1.654 O=C1CCCC1OCCCCCI 34a_200012148887_100000709159 [1,0,0,1,0,0|2,0,0]=4 12216 B13R1.654 O=C1CCCC1OCCCCCI 7a_200012148887_100000211823 [1,0,0,1,0,0|2,0,0]=4 12217 B13R1.654 O=C1CCCC1OCCCCCO 34a_200000719330_100000746330 [1,0,0,1,0,0|2,0,0]=4 12218 B13R1.654 O=C1CCCC1SCCCCCF 62a_100000211823_100000729378 [1,0,0,1,0,0|2,0,0]=4 12219 B13R1.654 O=C1CCCC1SCCCCCF 62a_100000729378_100000211823 [1,0,0,1,0,0|2,0,0]=4 12220 B13R1.654 O=C1CCCC1SCCCCCO 62a_100000211823_100000746330 [1,0,0,1,0,0|2,0,0]=4 12221 B13R1.654 O=C1CCCC1SCCCCCO 62a_100000746330_100000211823 [1,0,0,1,0,0|2,0,0]=4 12222 B13R1.1149 CCCCCN1CCNC(=O)CC1 2230a_100000698595_100000210326 [1,0,0,1,0,0|2,0,0]=4 12223 B13R1.1149 CCCCCN1CCNC(=O)CC1 269982a_100000698595_100000210215 [1,0,0,1,0,0|2,0,0]=4 12224 B13R1.1464 CCCC(=O)C1CC/C=C\CCC1 1458a_100000211992_100021000466 [1,0,0,1,0,0|0,0,2]=4 12225 B13R1.1464 CCCC(=O)N1CCCCCCC1 11a_100000211400_100000211992 [1,0,0,1,0,0|1,0,0]=3 12226 B13R1.1464 CCCC(=O)N1CCCCCCC1 1626a_100000211400_100000211992 [1,0,0,1,0,0|1,0,0]=3 12227 B13R1.1464 CCCC(=O)N1CCCCCCC1 240690a_100000211400_100000211992 [1,0,0,1,0,0|1,0,0]=3 12228 B13R1.1464 CCCC(=O)N1CCCCCCC1 527a_100000211400_100000211992 [1,0,0,1,0,0|1,0,0]=3 12229 B13R1.1464 CCCN(C)C1CCCCCCC1 270004a_100000747261_100000210524 [1,0,0,1,0,0|2,0,0]=4 12230 B13R1.1464 CCNC(=O)N1CCCCCCC1 2708a_100015525214_100000211400 [1,0,0,1,0,0|2,0,0]=4 12231 B13R1.1464 CCNC(=O)N1CCCCCCC1 273464a_100015525214_100000211400 [1,0,0,1,0,0|2,0,0]=4 12232 B13R1.1464 CNCC(=O)N1CCCCCCC1 2230a_106832991635_100000230191 [1,0,0,1,0,0|2,0,0]=4 12233 B13R1.1464 CNCC(=O)N1CCCCCCC1 34a_100102657272_100000230191 [1,0,0,1,0,0|2,0,0]=4 12234 B13R1.1464 CNCC(=O)N1CCCCCCC1 7a_106832991635_100000230191 [1,0,0,1,0,0|2,0,0]=4 12235 B13R1.1464 COCC(=O)N1CCCCCCC1 11a_100000211400_100000210968 [1,0,0,1,0,0|2,0,0]=4 12236 B13R1.1464 COCC(=O)N1CCCCCCC1 1626a_100000211400_100000210968 [1,0,0,1,0,0|2,0,0]=4 12237 B13R1.1464 COCC(=O)N1CCCCCCC1 240690a_100000211400_100000210968 [1,0,0,1,0,0|2,0,0]=4 12238 B13R1.1464 COCC(=O)N1CCCCCCC1 34a_100138415774_100000230191 [1,0,0,1,0,0|2,0,0]=4 12239 B13R1.1464 COCC(=O)N1CCCCCCC1 527a_100000211400_100000210968 [1,0,0,1,0,0|2,0,0]=4 12240 B13R1.1464 CSCC(=O)N1CCCCCCC1 11a_100000211400_100000184570 [1,0,0,1,0,0|2,0,0]=4 12241 B13R1.1464 CSCC(=O)N1CCCCCCC1 1626a_100000211400_100000184570 [1,0,0,1,0,0|2,0,0]=4 12242 B13R1.1464 CSCC(=O)N1CCCCCCC1 240690a_100000211400_100000184570 [1,0,0,1,0,0|2,0,0]=4 12243 B13R1.1464 CSCC(=O)N1CCCCCCC1 527a_100000211400_100000184570 [1,0,0,1,0,0|2,0,0]=4 12244 B13R1.1464 CSCC(=O)N1CCCCCCC1 62a_100000230191_200000210301 [1,0,0,1,0,0|2,0,0]=4 12245 B13R1.1464 CSCC(=O)N1CCCCCCC1 62a_200000210301_100000230191 [1,0,0,1,0,0|2,0,0]=4 12246 B13R1.1464 O=C(CCO)N1CCCCCCC1 240690a_100000211400_100011216618 [1,0,0,1,0,0|2,0,0]=4 12247 B13R1.1464 [13CH3]SCC(=O)N1CCCCCCC1 62a_100000230191_200025704644 [1,0,0,1,0,0|2,0,0]=4 12248 B13R1.1464 [13CH3]SCC(=O)N1CCCCCCC1 62a_200025704644_100000230191 [1,0,0,1,0,0|2,0,0]=4 12249 B13R1.1575 C#CCC(=O)CC1CCCCCC1 1458a_100000685095_100000184674 [1,0,0,1,0,0|0,0,2]=4 12250 B13R1.1575 C#CCC(=O)CC1CCCCCC1 1458a_100011220946_200000696569 [1,0,0,1,0,0|0,0,2]=4 12251 B13R1.1575 C=CCC(=O)CC1CCCCCC1 1458a_100000210193_200000696569 [1,0,0,1,0,0|0,0,2]=4 12252 B13R1.1575 C=CCC(=O)CC1CCCCCC1 1458a_100000685095_100000210623 [1,0,0,1,0,0|0,0,2]=4 12253 B13R1.1575 CC#CC(=O)CC1CCCCCC1 1458a_100000763181_200000696569 [1,0,0,1,0,0|0,0,2]=4 12254 B13R1.1575 CC=CC(=O)CC1CCCCCC1 1458a_100000210699_200000696569 [1,0,0,1,0,0|0,0,2]=4 12255 B13R1.1575 CCCC(=O)C=C1CCCCCC1 1458a_100011240665_100000210303 [1,0,0,1,0,0|0,0,2]=4 12256 B13R1.1575 CCCC(=O)CC1CCCCCC1 1458a_100000211992_200000696569 [1,0,0,1,0,0|0,0,0]=2 12257 B13R1.1575 CCCC(=O)CC1CCCCCC1 1458a_100000685095_100000210303 [1,0,0,1,0,0|0,0,0]=2 12258 B13R1.1575 CCCC(=O)CN1CCCCCC1 1458a_100000740298_100000210303 [1,0,0,1,0,0|1,0,0]=3 12259 B13R1.1575 CCCC(=O)CN1CCCCCC1 2230a_100000185865_100000747444 [1,0,0,1,0,0|1,0,0]=3 12260 B13R1.1575 CCCC(=O)CN1CCCCCC1 269982a_100000185865_100000747444 [1,0,0,1,0,0|1,0,0]=3 12261 B13R1.1575 CCCC(=O)CN1CCCOCC1 2230a_100000685342_100000747444 [1,0,0,1,0,0|2,0,0]=4 12262 B13R1.1575 CCCC(=O)CN1CCCOCC1 269982a_100000685342_100000747444 [1,0,0,1,0,0|2,0,0]=4 12263 B13R1.1575 CCCC(=O)NC1CCCCCC1 11a_100000210984_100000211992 [1,0,0,1,0,0|1,0,0]=3 12264 B13R1.1575 CCCC(=O)NC1CCCCCC1 1626a_100000210984_100000211992 [1,0,0,1,0,0|1,0,0]=3 12265 B13R1.1575 CCCC(=O)NC1CCCCCC1 240690a_100000210984_100000211992 [1,0,0,1,0,0|1,0,0]=3 12266 B13R1.1575 CCCC(=O)NC1CCCCCC1 527a_100000210984_100000211992 [1,0,0,1,0,0|1,0,0]=3 12267 B13R1.1575 CCCC(C)OC1CCCCCC1 34a_100000210887_100000766640 [1,0,0,1,0,0|1,0,1]=4 12268 B13R1.1575 CCCC(C)OC1CCCCCC1 34a_100000764384_100011217769 [1,0,0,1,0,0|1,0,1]=4 12269 B13R1.1575 CCCC(C)OC1CCCCCC1 7a_100000210887_100000766640 [1,0,0,1,0,0|1,0,1]=4 12270 B13R1.1575 CCCN(C)CC1CCCCCC1 2230a_100000747261_200000696569 [1,0,0,1,0,0|2,0,0]=4 12271 B13R1.1575 CCCN(C)CC1CCCCCC1 269982a_100000747261_200000696569 [1,0,0,1,0,0|2,0,0]=4 12272 B13R1.1575 CCNC(=O)CC1CCCCCC1 11a_100015525214_100000685095 [1,0,0,1,0,0|1,0,0]=3 12273 B13R1.1575 CCNC(=O)CC1CCCCCC1 240690a_100015525214_100000685095 [1,0,0,1,0,0|1,0,0]=3 12274 B13R1.1575 CCNC(=O)CC1CCCCCC1 527a_100015525214_100000685095 [1,0,0,1,0,0|1,0,0]=3 12275 B13R1.1575 CCNC(=O)CN1CCCCCC1 11a_100015525214_100000740298 [1,0,0,1,0,0|2,0,0]=4 12276 B13R1.1575 CCNC(=O)CN1CCCCCC1 2230a_100000185865_100000183381 [1,0,0,1,0,0|2,0,0]=4 12277 B13R1.1575 CCNC(=O)CN1CCCCCC1 240690a_100015525214_100000740298 [1,0,0,1,0,0|2,0,0]=4 12278 B13R1.1575 CCNC(=O)CN1CCCCCC1 269982a_100000185865_100000183381 [1,0,0,1,0,0|2,0,0]=4 12279 B13R1.1575 CCNC(=O)CN1CCCCCC1 34a_100000185865_100000183381 [1,0,0,1,0,0|2,0,0]=4 12280 B13R1.1575 CCNC(=O)CN1CCCCCC1 527a_100015525214_100000740298 [1,0,0,1,0,0|2,0,0]=4 12281 B13R1.1575 CCNC(=O)NC1CCCCCC1 2708a_100000210984_100015525214 [1,0,0,1,0,0|2,0,0]=4 12282 B13R1.1575 CCNC(=O)NC1CCCCCC1 2708a_100015525214_100000210984 [1,0,0,1,0,0|2,0,0]=4 12283 B13R1.1575 CCNC(=O)NC1CCCCCC1 273464a_100000210984_100015525214 [1,0,0,1,0,0|2,0,0]=4 12284 B13R1.1575 CCNC(=O)NC1CCCCCC1 273464a_100015525214_100000210984 [1,0,0,1,0,0|2,0,0]=4 12285 B13R1.1575 CCNC(=O)NC1CCCCCC1 512a_100015525214_100000210984 [1,0,0,1,0,0|2,0,0]=4 12286 B13R1.1575 CCOC(=O)CN1CCCCCC1 2230a_100000185865_100000188475 [1,0,0,1,0,0|2,0,0]=4 12287 B13R1.1575 CCOC(=O)CN1CCCCCC1 269982a_100000185865_100000188475 [1,0,0,1,0,0|2,0,0]=4 12288 B13R1.1575 CCOC(=O)CN1CCCCCC1 34a_100000185865_100000188475 [1,0,0,1,0,0|2,0,0]=4 12289 B13R1.1575 CNCC(=O)NC1CCCCCC1 2230a_106832991635_100000183474 [1,0,0,1,0,0|2,0,0]=4 12290 B13R1.1575 CNCC(=O)NC1CCCCCC1 34a_100102657272_100000183474 [1,0,0,1,0,0|2,0,0]=4 12291 B13R1.1575 CNCC(=O)NC1CCCCCC1 7a_106832991635_100000183474 [1,0,0,1,0,0|2,0,0]=4 12292 B13R1.1575 CNNC(=O)CC1CCCCCC1 22a_100016993582_100000685095 [1,0,0,1,0,0|2,0,0]=4 12293 B13R1.1575 COCC(=O)CC1CCCCCC1 1458a_100000210968_200000696569 [1,0,0,1,0,0|1,0,0]=3 12294 B13R1.1575 COCC(=O)NC1CCCCCC1 11a_100000210984_100000210968 [1,0,0,1,0,0|2,0,0]=4 12295 B13R1.1575 COCC(=O)NC1CCCCCC1 1626a_100000210984_100000210968 [1,0,0,1,0,0|2,0,0]=4 12296 B13R1.1575 COCC(=O)NC1CCCCCC1 240690a_100000210984_100000210968 [1,0,0,1,0,0|2,0,0]=4 12297 B13R1.1575 COCC(=O)NC1CCCCCC1 34a_100138415774_100000183474 [1,0,0,1,0,0|2,0,0]=4 12298 B13R1.1575 COCC(=O)NC1CCCCCC1 527a_100000210984_100000210968 [1,0,0,1,0,0|2,0,0]=4 12299 B13R1.1575 CSCC(=O)CC1CCCCCC1 1458a_100000184570_200000696569 [1,0,0,1,0,0|1,0,0]=3 12300 B13R1.1575 CSCC(=O)NC1CCCCCC1 11a_100000210984_100000184570 [1,0,0,1,0,0|2,0,0]=4 12301 B13R1.1575 CSCC(=O)NC1CCCCCC1 1626a_100000210984_100000184570 [1,0,0,1,0,0|2,0,0]=4 12302 B13R1.1575 CSCC(=O)NC1CCCCCC1 240690a_100000210984_100000184570 [1,0,0,1,0,0|2,0,0]=4 12303 B13R1.1575 CSCC(=O)NC1CCCCCC1 527a_100000210984_100000184570 [1,0,0,1,0,0|2,0,0]=4 12304 B13R1.1575 CSCC(=O)NC1CCCCCC1 62a_100000183474_200000210301 [1,0,0,1,0,0|2,0,0]=4 12305 B13R1.1575 CSCC(=O)NC1CCCCCC1 62a_200000210301_100000183474 [1,0,0,1,0,0|2,0,0]=4 12306 B13R1.1575 N#CCC(=O)CC1CCCCCC1 1458a_100000685095_100011214920 [1,0,0,1,0,0|1,0,1]=4 12307 B13R1.1575 N#CCC(=O)CC1CCCCCC1 1458a_100051588842_200000696569 [1,0,0,1,0,0|1,0,1]=4 12308 B13R1.1575 O=C(CCF)CC1CCCCCC1 1458a_100000685095_100011217306 [1,0,0,1,0,0|1,0,0]=3 12309 B13R1.1575 O=C(CCF)CN1CCCCCC1 1458a_100000740298_100011217306 [1,0,0,1,0,0|2,0,0]=4 12310 B13R1.1575 O=C(CCO)CC1CCCCCC1 1458a_100000685095_100000211926 [1,0,0,1,0,0|1,0,0]=3 12311 B13R1.1575 O=C(CCO)CC1CCCCCC1 1458a_100011216618_200000696569 [1,0,0,1,0,0|1,0,0]=3 12312 B13R1.1575 O=C(CCO)CN1CCCCCC1 1458a_100000740298_100000211926 [1,0,0,1,0,0|2,0,0]=4 12313 B13R1.1575 O=C(CCO)NC1CCCCCC1 240690a_100000210984_100011216618 [1,0,0,1,0,0|2,0,0]=4 12314 B13R1.1575 [13CH3]SCC(=O)NC1CCCCCC1 62a_100000183474_200025704644 [1,0,0,1,0,0|2,0,0]=4 12315 B13R1.1575 [13CH3]SCC(=O)NC1CCCCCC1 62a_200025704644_100000183474 [1,0,0,1,0,0|2,0,0]=4 12316 B13R1.3151 C#CCCCCCCC(=O)C1CC1 1458a_100000210395_100012276617 [1,0,0,1,0,0|0,0,2]=4 12317 B13R1.3151 C=CCCCCCCC(=O)C1CC1 1458a_100000210395_100011215473 [1,0,0,1,0,0|0,0,2]=4 12318 B13R1.3151 CCCCCC#CCC(=O)C1CC1 1458a_100000210395_100009816472 [1,0,0,1,0,0|0,0,2]=4 12319 B13R1.3151 CCCCCCCCC(=O)C1CC1 1458a_100000210395_100000210759 [1,0,0,1,0,0|0,0,0]=2 12320 B13R1.3151 CCCCCCCCC(=O)C1CO1 1458a_100000701028_100000210759 [1,0,0,1,0,0|1,0,0]=3 12321 B13R1.3151 CCCCCCCCN(C)C1CC1 2230a_100000226674_100000210759 [1,0,0,1,0,0|2,0,0]=4 12322 B13R1.3151 CCCCCCCCN(C)C1CC1 269982a_100000207567_100000211595 [1,0,0,1,0,0|2,0,0]=4 12323 B13R1.3151 CCCCCCCCN(C)C1CC1 269982a_100000226674_100000210759 [1,0,0,1,0,0|2,0,0]=4 12324 B13R1.3151 CCCCCCCNC(=O)C1CC1 11a_100000229938_100000210395 [1,0,0,1,0,0|1,0,0]=3 12325 B13R1.3151 CCCCCCCNC(=O)C1CC1 1626a_100000229938_100000210395 [1,0,0,1,0,0|1,0,0]=3 12326 B13R1.3151 CCCCCCCNC(=O)C1CC1 240690a_100000229938_100000210395 [1,0,0,1,0,0|1,0,0]=3 12327 B13R1.3151 CCCCCCCNC(=O)C1CC1 527a_100000229938_100000210395 [1,0,0,1,0,0|1,0,0]=3 12328 B13R1.3151 CCCCCCCNC(=O)C1CO1 11a_100000229938_100000701028 [1,0,0,1,0,0|2,0,0]=4 12329 B13R1.3151 CCCCCCCNC(=O)C1CO1 1626a_100000229938_100000701028 [1,0,0,1,0,0|2,0,0]=4 12330 B13R1.3151 CCCCCCCNC(=O)C1CO1 240690a_100000229938_100000701028 [1,0,0,1,0,0|2,0,0]=4 12331 B13R1.3151 CCCCCCCNC(=O)C1CO1 527a_100000229938_100000701028 [1,0,0,1,0,0|2,0,0]=4 12332 B13R1.3151 CCCCCCCOC(C)C1CC1 34a_100000744524_100000210614 [1,0,0,1,0,0|1,0,1]=4 12333 B13R1.3151 CCCCCCCOC(C)C1CC1 7a_100000744524_100000210614 [1,0,0,1,0,0|1,0,1]=4 12334 B13R1.3151 CCCCCCNCC(=O)C1CC1 2230a_100000210581_100000746382 [1,0,0,1,0,0|1,0,0]=3 12335 B13R1.3151 CCCCCCOCC(=O)C1CC1 34a_100000210259_100000746382 [1,0,0,1,0,0|1,0,0]=3 12336 B13R1.3151 CCCCCCOCC(=O)C1CC1 34a_100000686663_100000210314 [1,0,0,1,0,0|1,0,0]=3 12337 B13R1.3151 CCCCCCOCC(=O)C1CC1 7a_100000210259_100000746382 [1,0,0,1,0,0|1,0,0]=3 12338 B13R1.3151 CCCCCCSCC(=O)C1CC1 62a_100000210314_100000746382 [1,0,0,1,0,0|1,0,0]=3 12339 B13R1.3151 CCCCCCSCC(=O)C1CC1 62a_100000746382_100000210757 [1,0,0,1,0,0|1,0,0]=3 12340 B13R1.3151 CCCCCNCOC(=O)C1CC1 2230a_100000209983_100000140896 [1,0,0,1,0,0|1,0,0]=3 12341 B13R1.3151 CCCCCOCOC(=O)C1CC1 34a_100000210253_100000140896 [1,0,0,1,0,0|1,0,0]=3 12342 B13R1.3151 CCCCCSCOC(=O)C1CC1 62a_100000140896_100000210326 [1,0,0,1,0,0|1,0,0]=3 12343 B13R1.3151 CCCCCSCOC(=O)C1CC1 62a_100000210326_100000140896 [1,0,0,1,0,0|1,0,0]=3 12344 B13R1.3151 CCCCOCOCC(=O)C1CC1 34a_100000686663_100011995733 [1,0,0,1,0,0|2,0,0]=4 12345 B13R1.3151 CCCCOCSCC(=O)C1CC1 62a_100000746382_100011995733 [1,0,0,1,0,0|2,0,0]=4 12346 B13R1.3151 CCCCOCSCC(=O)C1CC1 62a_100011995733_100000746382 [1,0,0,1,0,0|2,0,0]=4 12347 B13R1.3151 CCCCSCCNC(=O)C1CC1 11a_100025743550_100000210395 [1,0,0,1,0,0|2,0,0]=4 12348 B13R1.3151 CCCCSCCNC(=O)C1CC1 1626a_100025743550_100000210395 [1,0,0,1,0,0|2,0,0]=4 12349 B13R1.3151 CCCCSCCNC(=O)C1CC1 240690a_100025743550_100000210395 [1,0,0,1,0,0|2,0,0]=4 12350 B13R1.3151 CCCCSCCNC(=O)C1CC1 527a_100025743550_100000210395 [1,0,0,1,0,0|2,0,0]=4 12351 B13R1.3151 CCCOCCCNC(=O)C1CC1 1626a_100011217757_100000210395 [1,0,0,1,0,0|2,0,0]=4 12352 B13R1.3151 CCCOCCCNC(=O)C1CC1 240690a_100011217757_100000210395 [1,0,0,1,0,0|2,0,0]=4 12353 B13R1.3151 CCCOCCCNC(=O)C1CC1 527a_100011217757_100000210395 [1,0,0,1,0,0|2,0,0]=4 12354 B13R1.3151 CCCOCCNCC(=O)C1CC1 2230a_100161115042_100000746382 [1,0,0,1,0,0|2,0,0]=4 12355 B13R1.3151 CCCOCCNCC(=O)C1CC1 34a_100161115042_100000746382 [1,0,0,1,0,0|2,0,0]=4 12356 B13R1.3151 CCCOCCOCC(=O)C1CC1 34a_100000686663_100011215938 [1,0,0,1,0,0|2,0,0]=4 12357 B13R1.3151 CCCOCCOCC(=O)C1CC1 34a_100000752267_100000746382 [1,0,0,1,0,0|2,0,0]=4 12358 B13R1.3151 CCCOCCOCC(=O)C1CC1 7a_100000752267_100000746382 [1,0,0,1,0,0|2,0,0]=4 12359 B13R1.3151 CCCOCCSCC(=O)C1CC1 62a_100000746382_100011215938 [1,0,0,1,0,0|2,0,0]=4 12360 B13R1.3151 CCCOCCSCC(=O)C1CC1 62a_100011215938_100000746382 [1,0,0,1,0,0|2,0,0]=4 12361 B13R1.3151 CCCSCCNCC(=O)C1CC1 2230a_100020603323_100000746382 [1,0,0,1,0,0|2,0,0]=4 12362 B13R1.3151 CCCSCCOCC(=O)C1CC1 34a_200000230433_100000746382 [1,0,0,1,0,0|2,0,0]=4 12363 B13R1.3151 CCCSCCOCC(=O)C1CC1 7a_200000230433_100000746382 [1,0,0,1,0,0|2,0,0]=4 12364 B13R1.3151 CCOCCCNCC(=O)C1CC1 2230a_100000210961_100000746382 [1,0,0,1,0,0|2,0,0]=4 12365 B13R1.3151 CCOCCCNCC(=O)C1CC1 34a_100000210961_100000746382 [1,0,0,1,0,0|2,0,0]=4 12366 B13R1.3151 CCOCCCOCC(=O)C1CC1 34a_100000686663_100012232248 [1,0,0,1,0,0|2,0,0]=4 12367 B13R1.3151 CCOCCCOCC(=O)C1CC1 34a_100000757476_100000746382 [1,0,0,1,0,0|2,0,0]=4 12368 B13R1.3151 CCOCCCOCC(=O)C1CC1 7a_100000757476_100000746382 [1,0,0,1,0,0|2,0,0]=4 12369 B13R1.3151 CCOCCCSCC(=O)C1CC1 62a_100000746382_100012232248 [1,0,0,1,0,0|2,0,0]=4 12370 B13R1.3151 CCOCCCSCC(=O)C1CC1 62a_100012232248_100000746382 [1,0,0,1,0,0|2,0,0]=4 12371 B13R1.3151 CCOCCNCOC(=O)C1CC1 2230a_102516460346_100000140896 [1,0,0,1,0,0|2,0,0]=4 12372 B13R1.3151 CCOCCNCOC(=O)C1CC1 34a_102516460346_100000140896 [1,0,0,1,0,0|2,0,0]=4 12373 B13R1.3151 CCOCCOCCC(=O)C1CC1 1458a_100000210395_100011211534 [1,0,0,1,0,0|2,0,0]=4 12374 B13R1.3151 CCOCCOCOC(=O)C1CC1 34a_100000210136_100000140896 [1,0,0,1,0,0|2,0,0]=4 12375 B13R1.3151 CCOCCSCOC(=O)C1CC1 62a_100000140896_100011215890 [1,0,0,1,0,0|2,0,0]=4 12376 B13R1.3151 CCOCCSCOC(=O)C1CC1 62a_100000210147_100000140896 [1,0,0,1,0,0|2,0,0]=4 12377 B13R1.3151 CCSCCCOCC(=O)C1CC1 34a_100011216438_100000746382 [1,0,0,1,0,0|2,0,0]=4 12378 B13R1.3151 CCSCCCOCC(=O)C1CC1 7a_100011216438_100000746382 [1,0,0,1,0,0|2,0,0]=4 12379 B13R1.3151 CCSCCNCOC(=O)C1CC1 2230a_100000106463_100000140896 [1,0,0,1,0,0|2,0,0]=4 12380 B13R1.3151 CCSCCOCOC(=O)C1CC1 34a_100000212035_100000140896 [1,0,0,1,0,0|2,0,0]=4 12381 B13R1.3151 CCSCCSCOC(=O)C1CC1 62a_100000140896_100000757381 [1,0,0,1,0,0|2,0,0]=4 12382 B13R1.3151 CCSCCSCOC(=O)C1CC1 62a_100000757381_100000140896 [1,0,0,1,0,0|2,0,0]=4 12383 B13R1.3151 CNCCCOCOC(=O)C1CC1 34a_100000213112_100000140896 [1,0,0,1,0,0|2,0,0]=4 12384 B13R1.3151 COCCCCCCC(=O)C1CC1 1458a_100000210395_100011998445 [1,0,0,1,0,0|1,0,0]=3 12385 B13R1.3151 COCCCCCCC(=O)C1CO1 1458a_100000701028_100011998445 [1,0,0,1,0,0|2,0,0]=4 12386 B13R1.3151 COCCCCCNC(=O)C1CC1 11a_100000747528_100000210395 [1,0,0,1,0,0|2,0,0]=4 12387 B13R1.3151 COCCCCCNC(=O)C1CC1 1626a_100000747528_100000210395 [1,0,0,1,0,0|2,0,0]=4 12388 B13R1.3151 COCCCCCNC(=O)C1CC1 240690a_100000747528_100000210395 [1,0,0,1,0,0|2,0,0]=4 12389 B13R1.3151 COCCCCCNC(=O)C1CC1 527a_100000747528_100000210395 [1,0,0,1,0,0|2,0,0]=4 12390 B13R1.3151 COCCCCOCC(=O)C1CC1 34a_100000686663_100000755781 [1,0,0,1,0,0|2,0,0]=4 12391 B13R1.3151 COCCCCOCC(=O)C1CC1 34a_100000740925_100000746382 [1,0,0,1,0,0|2,0,0]=4 12392 B13R1.3151 COCCCCSCC(=O)C1CC1 62a_100000730899_100000746382 [1,0,0,1,0,0|2,0,0]=4 12393 B13R1.3151 COCCCCSCC(=O)C1CC1 62a_100000746382_100000730899 [1,0,0,1,0,0|2,0,0]=4 12394 B13R1.3151 COCCCNCOC(=O)C1CC1 34a_100150723488_100000140896 [1,0,0,1,0,0|2,0,0]=4 12395 B13R1.3151 COCCCOCOC(=O)C1CC1 34a_100000740835_100000140896 [1,0,0,1,0,0|2,0,0]=4 12396 B13R1.3151 COCCCSCOC(=O)C1CC1 62a_100000140896_100000709357 [1,0,0,1,0,0|2,0,0]=4 12397 B13R1.3151 COCCCSCOC(=O)C1CC1 62a_100000709357_100000140896 [1,0,0,1,0,0|2,0,0]=4 12398 B13R1.3151 COCCOCCCC(=O)C1CC1 1458a_100000210395_100011216529 [1,0,0,1,0,0|2,0,0]=4 12399 B13R1.3151 CSCCCCOCC(=O)C1CC1 34a_100011217163_100000746382 [1,0,0,1,0,0|2,0,0]=4 12400 B13R1.3151 CSCCCCOCC(=O)C1CC1 7a_100011217163_100000746382 [1,0,0,1,0,0|2,0,0]=4 12401 B13R1.3151 CSCCCNCOC(=O)C1CC1 2230a_100000749238_100000140896 [1,0,0,1,0,0|2,0,0]=4 12402 B13R1.3151 CSCCCOCOC(=O)C1CC1 34a_100000690336_100000140896 [1,0,0,1,0,0|2,0,0]=4 12403 B13R1.3151 N#CCCCCCCC(=O)C1CC1 1458a_100000210395_100009813337 [1,0,0,1,0,0|1,0,1]=4 12404 B13R1.3151 NCCCCCOCC(=O)C1CC1 34a_100000762737_100000746382 [1,0,0,1,0,0|2,0,0]=4 12405 B13R1.3151 NCCCCOCOC(=O)C1CC1 34a_100000750430_100000140896 [1,0,0,1,0,0|2,0,0]=4 12406 B13R1.3151 O=C(CCCCCCCO)C1CC1 1458a_100000210395_100000760002 [1,0,0,1,0,0|1,0,0]=3 12407 B13R1.3151 O=C(CCCCCCCO)C1CO1 1458a_100000701028_100000760002 [1,0,0,1,0,0|2,0,0]=4 12408 B13R1.3151 O=C(CNCCCCCO)C1CC1 2230a_100000762737_100000746382 [1,0,0,1,0,0|2,0,0]=4 12409 B13R1.3151 O=C(CNCCCCCO)C1CC1 34a_100000762737_100000746382 [1,0,0,1,0,0|2,0,0]=4 12410 B13R1.3151 O=C(COCCCCCBr)C1CC1 34a_100000746331_100000746382 [1,0,0,1,0,0|2,0,0]=4 12411 B13R1.3151 O=C(COCCCCCBr)C1CC1 7a_100000746331_100000746382 [1,0,0,1,0,0|2,0,0]=4 12412 B13R1.3151 O=C(COCCCCCCl)C1CC1 34a_100000746330_100000746382 [1,0,0,1,0,0|2,0,0]=4 12413 B13R1.3151 O=C(COCCCCCCl)C1CC1 7a_100000746330_100000746382 [1,0,0,1,0,0|2,0,0]=4 12414 B13R1.3151 O=C(COCCCCCF)C1CC1 34a_100000686663_100000729378 [1,0,0,1,0,0|2,0,0]=4 12415 B13R1.3151 O=C(COCCCCCI)C1CC1 34a_200012148887_100000746382 [1,0,0,1,0,0|2,0,0]=4 12416 B13R1.3151 O=C(COCCCCCI)C1CC1 7a_200012148887_100000746382 [1,0,0,1,0,0|2,0,0]=4 12417 B13R1.3151 O=C(COCCCCCO)C1CC1 34a_100000686663_100000746330 [1,0,0,1,0,0|2,0,0]=4 12418 B13R1.3151 O=C(CSCCCCCF)C1CC1 62a_100000729378_100000746382 [1,0,0,1,0,0|2,0,0]=4 12419 B13R1.3151 O=C(CSCCCCCF)C1CC1 62a_100000746382_100000729378 [1,0,0,1,0,0|2,0,0]=4 12420 B13R1.3151 O=C(CSCCCCCO)C1CC1 62a_100000746330_100000746382 [1,0,0,1,0,0|2,0,0]=4 12421 B13R1.3151 O=C(CSCCCCCO)C1CC1 62a_100000746382_100000746330 [1,0,0,1,0,0|2,0,0]=4 12422 B13R1.3151 O=C(NCCCCCCO)C1CC1 240690a_100000686447_100000210395 [1,0,0,1,0,0|2,0,0]=4 12423 B13R1.3151 O=C(NCCCCCCO)C1CC1 527a_100000686447_100000210395 [1,0,0,1,0,0|2,0,0]=4 12424 B13R1.3151 O=C(OCNCCCCO)C1CC1 2230a_100000750430_100000140896 [1,0,0,1,0,0|2,0,0]=4 12425 B13R1.3151 O=C(OCNCCCCO)C1CC1 34a_100000750430_100000140896 [1,0,0,1,0,0|2,0,0]=4 12426 B13R1.3151 O=C(OCOCCCCBr)C1CC1 34a_100011216708_100000140896 [1,0,0,1,0,0|2,0,0]=4 12427 B13R1.3151 O=C(OCOCCCCCl)C1CC1 34a_100000210776_100000140896 [1,0,0,1,0,0|2,0,0]=4 12428 B13R1.3151 O=C(OCOCCCCF)C1CC1 34a_100011995726_100000140896 [1,0,0,1,0,0|2,0,0]=4 12429 B13R1.3151 O=C(OCOCCCCI)C1CC1 34a_200012148704_100000140896 [1,0,0,1,0,0|2,0,0]=4 12430 B13R1.3151 O=C(OCSCCCCF)C1CC1 62a_100000140896_100000729493 [1,0,0,1,0,0|2,0,0]=4 12431 B13R1.3151 O=C(OCSCCCCF)C1CC1 62a_100000729493_100000140896 [1,0,0,1,0,0|2,0,0]=4 12432 B13R1.3151 O=C(OCSCCCCO)C1CC1 62a_100000140896_100000210776 [1,0,0,1,0,0|2,0,0]=4 12433 B13R1.3151 O=C(OCSCCCCO)C1CC1 62a_100000210776_100000140896 [1,0,0,1,0,0|2,0,0]=4 12434 B13R1.3516 CCCCN1CCNC(=O)C1CC 2230a_100000187962_100000210211 [1,0,0,1,0,0|2,0,0]=4 12435 B13R1.3516 CCCCN1CCNC(=O)C1CC 269982a_100000187962_100000210211 [1,0,0,1,0,0|2,0,0]=4 12436 B13R1.3516 CCCCN1CCNC(=O)C1CC 34a_100000187962_100000210210 [1,0,0,1,0,0|2,0,0]=4 12437 B13R1.3673 CCCCCCCOC1(CCC1)C 34a_100000759064_100000210614 [1,0,0,1,0,0|1,0,1]=4 12438 B13R1.3673 CCCCCCCOC1(CCC1)C 7a_100000759064_100000210614 [1,0,0,1,0,0|1,0,1]=4 12439 B13R1.28 BrCCCOCCC1CCCCC1 34a_100011217188_100011209188 [1,0,0,1,0,0|1,0,1]=4 12440 B13R1.28 CCC/C=C/COC1CCCCC1 34a_100016278788_100000210327 [1,0,0,1,0,0|2,0,0]=4 12441 B13R1.28 CCC/C=C/COC1CCCCC1 7a_100016278788_100000210327 [1,0,0,1,0,0|2,0,0]=4 12442 B13R1.28 CCCC=NNCC1CCCCC1 4a_100000740227_100000185831 [1,0,0,1,0,0|2,0,0]=4 12443 B13R1.28 CCCCCCNC1C=CCCC1 2230a_100000210581_100000751183 [1,0,0,1,0,0|2,0,0]=4 12444 B13R1.28 CCCCCCOC1C=CCCC1 34a_100011215024_100000210314 [1,0,0,1,0,0|2,0,0]=4 12445 B13R1.28 CCCCCCOC1C=CCCC1 7a_100000210259_100000751183 [1,0,0,1,0,0|2,0,0]=4 12446 B13R1.28 CCCCCCOC1CCCCO1 34a_100000033831_100000210314 [1,0,0,1,0,0|1,0,1]=4 12447 B13R1.28 CCCCCCSC1C=CCCC1 62a_100000210314_100000751183 [1,0,0,1,0,0|2,0,0]=4 12448 B13R1.28 CCCCCCSC1C=CCCC1 62a_100000751183_100000210757 [1,0,0,1,0,0|2,0,0]=4 12449 B13R1.28 CCCCCNCC1CCCCO1 2230a_100000174945_100000210326 [1,0,0,1,0,0|1,0,1]=4 12450 B13R1.28 CCCCCNCC1CCCCO1 2230a_100000209983_100000211543 [1,0,0,1,0,0|1,0,1]=4 12451 B13R1.28 CCCCCNCC1CCCCO1 34a_100000174945_100000718602 [1,0,0,1,0,0|1,0,1]=4 12452 B13R1.28 CCCCCOCC1CCC=CO1 34a_100011217868_100000718602 [1,0,0,1,0,0|1,0,1]=4 12453 B13R1.28 CCCCCOCC1CCCCO1 34a_100000210253_100000211543 [1,0,0,1,0,0|1,0,1]=4 12454 B13R1.28 CCCCCOCC1CCCCO1 34a_100000211370_100000718602 [1,0,0,1,0,0|1,0,1]=4 12455 B13R1.28 CCCCCOCC1CCCCO1 7a_100000210253_100000211543 [1,0,0,1,0,0|1,0,1]=4 12456 B13R1.28 CCCCCOCC1CCCCO1 7a_100000211370_100000210326 [1,0,0,1,0,0|1,0,1]=4 12457 B13R1.28 CCCCCSCC1CCCCO1 62a_100000210326_100000211543 [1,0,0,1,0,0|1,0,1]=4 12458 B13R1.28 CCCCCSCC1CCCCO1 62a_100000211543_100000210326 [1,0,0,1,0,0|1,0,1]=4 12459 B13R1.28 CCCCNCCC1CCCCC1 2230a_100000102301_100012355289 [1,0,0,1,0,0|1,0,1]=4 12460 B13R1.28 CCCCNCCC1CCCCC1 2230a_100000738074_100000210211 [1,0,0,1,0,0|1,0,1]=4 12461 B13R1.28 CCCCNCCC1CCCCC1 270004a_100000102301_100011713444 [1,0,0,1,0,0|1,0,1]=4 12462 B13R1.28 CCCCNCCC1CCCCC1 34a_100000738074_100000210210 [1,0,0,1,0,0|1,0,1]=4 12463 B13R1.28 CCCCNCCC1CCCCC1 7a_106832991798_100011273959 [1,0,0,1,0,0|1,0,1]=4 12464 B13R1.28 CCCCNCCC1CCCCO1 2230a_100015183643_100000210211 [1,0,0,1,0,0|1,0,1]=4 12465 B13R1.28 CCCCNCCC1CCCCO1 34a_100015183643_100000210210 [1,0,0,1,0,0|1,0,1]=4 12466 B13R1.28 CCCCOCCC1CCCCC1 34a_100000210227_100011209188 [1,0,0,1,0,0|0,0,1]=3 12467 B13R1.28 CCCCOCCC1CCCCC1 34a_100011217863_100000210210 [1,0,0,1,0,0|0,0,1]=3 12468 B13R1.28 CCCCOCCC1CCCCC1 7a_100000210227_100011273959 [1,0,0,1,0,0|0,0,1]=3 12469 B13R1.28 CCCCOCCC1CCCCC1 7a_100011217863_100000210211 [1,0,0,1,0,0|0,0,1]=3 12470 B13R1.28 CCCCOCCC1CCCCN1 34a_100000211664_100000210210 [1,0,0,1,0,0|1,0,1]=4 12471 B13R1.28 CCCCOCCC1CCCNC1 34a_100000752241_100000210210 [1,0,0,1,0,0|1,0,1]=4 12472 B13R1.28 CCCCOCCC1CCNCC1 34a_100015190746_100000210210 [1,0,0,1,0,0|1,0,1]=4 12473 B13R1.28 CCCCOCCC1CCOCC1 34a_100000210227_100011934994 [1,0,0,1,0,0|1,0,1]=4 12474 B13R1.28 CCCCOCCC1CCOCC1 34a_100011933979_100000210210 [1,0,0,1,0,0|1,0,1]=4 12475 B13R1.28 CCCCOCCC1CCOCC1 7a_100000210227_100011934994 [1,0,0,1,0,0|1,0,1]=4 12476 B13R1.28 CCCCOCCC1CCOCC1 7a_100011933979_100000210211 [1,0,0,1,0,0|1,0,1]=4 12477 B13R1.28 CCCCOCCN1CCCCC1 34a_100000210227_100000739454 [1,0,0,1,0,0|1,0,1]=4 12478 B13R1.28 CCCCOCCN1CCCCC1 7a_100000210227_100000739454 [1,0,0,1,0,0|1,0,1]=4 12479 B13R1.28 CCCCOCNC1CCCCC1 2230a_100000182618_100011995733 [1,0,0,1,0,0|1,0,1]=4 12480 B13R1.28 CCCCOCNC1CCCCC1 34a_100000182618_100011995733 [1,0,0,1,0,0|1,0,1]=4 12481 B13R1.28 CCCCOCOC1CCCCC1 34a_100000210227_100011935260 [1,0,0,1,0,0|1,0,1]=4 12482 B13R1.28 CCCCOCOC1CCCCC1 34a_100000210231_100011995733 [1,0,0,1,0,0|1,0,1]=4 12483 B13R1.28 CCCCOCOC1CCCCC1 7a_100000210227_100011935260 [1,0,0,1,0,0|1,0,1]=4 12484 B13R1.28 CCCCOCSC1CCCCC1 62a_100000210327_100011995733 [1,0,0,1,0,0|1,0,1]=4 12485 B13R1.28 CCCCOCSC1CCCCC1 62a_100011995733_100000210327 [1,0,0,1,0,0|1,0,1]=4 12486 B13R1.28 CCCCSCCC1CCCCC1 62a_100000210211_100012355289 [1,0,0,1,0,0|0,1,1]=4 12487 B13R1.28 CCCCSCCC1CCCCC1 62a_100012355289_100000210210 [1,0,0,1,0,0|0,1,1]=4 12488 B13R1.28 CCCNCCCC1CCCCC1 2230a_100011211642_100000210303 [1,0,0,1,0,0|2,0,0]=4 12489 B13R1.28 CCCNCCCC1CCCCC1 34a_100011211642_100000210303 [1,0,0,1,0,0|2,0,0]=4 12490 B13R1.28 CCCOCCCC1CCCCC1 34a_100000198086_100000210303 [1,0,0,1,0,0|2,0,0]=4 12491 B13R1.28 CCCOCCCC1CCCCC1 34a_100000210258_100011713725 [1,0,0,1,0,0|2,0,0]=4 12492 B13R1.28 CCCOCCCC1CCCCC1 7a_100000198086_100000210303 [1,0,0,1,0,0|2,0,0]=4 12493 B13R1.28 CCCSCCCC1CCCCC1 62a_100000210303_100011713725 [1,0,0,1,0,0|2,0,0]=4 12494 B13R1.28 CCCSCCCC1CCCCC1 62a_100011713725_100000210303 [1,0,0,1,0,0|2,0,0]=4 12495 B13R1.28 COCCOCCC1CCCCC1 34a_100000210237_100011209188 [1,0,0,1,0,0|1,0,1]=4 12496 B13R1.28 COCCOCCC1CCCCC1 34a_100011217863_100011201679 [1,0,0,1,0,0|1,0,1]=4 12497 B13R1.28 COCCOCCC1CCCCC1 7a_100011217863_100000233755 [1,0,0,1,0,0|1,0,1]=4 12498 B13R1.28 CSCCOCCC1CCCCC1 34a_100000230434_100011209188 [1,0,0,1,0,0|1,0,1]=4 12499 B13R1.28 CSCCOCCC1CCCCC1 34a_100011217863_100000212216 [1,0,0,1,0,0|1,0,1]=4 12500 B13R1.28 CSCCOCCC1CCCCC1 7a_100000230434_100011273959 [1,0,0,1,0,0|1,0,1]=4 12501 B13R1.28 CSCCOCCC1CCCCC1 7a_100011217863_100000212216 [1,0,0,1,0,0|1,0,1]=4 12502 B13R1.28 ClCCCOCCC1CCCCC1 34a_100000230001_100011209188 [1,0,0,1,0,0|1,0,1]=4 12503 B13R1.28 FCCCOCCC1CCCCC1 34a_100000759539_100011209188 [1,0,0,1,0,0|1,0,1]=4 12504 B13R1.28 FCCCOCCC1CCCCC1 34a_100011217863_100011934791 [1,0,0,1,0,0|1,0,1]=4 12505 B13R1.28 FCCCOCCC1CCCCC1 7a_100011217863_100011934791 [1,0,0,1,0,0|1,0,1]=4 12506 B13R1.28 NCCCOCCC1CCCCC1 34a_100000182051_100011209188 [1,0,0,1,0,0|1,0,1]=4 12507 B13R1.28 OCCCOCCC1CCCCC1 34a_100011217863_100000230001 [1,0,0,1,0,0|1,0,1]=4 12508 B13R1.28 OCCCOCCC1CCCCC1 7a_100011217863_100011215043 [1,0,0,1,0,0|1,0,1]=4 12509 B13R1.84 CCC1CCCCC1OCCCF 34a_100000210738_100011934791 [1,0,0,1,0,0|1,0,1]=4 12510 B13R1.84 CCC1CCCCC1OCCCF 7a_100000210738_100011934791 [1,0,0,1,0,0|1,0,1]=4 12511 B13R1.84 CCC1CCCCC1OCCCO 34a_100000210738_100000230001 [1,0,0,1,0,0|1,0,1]=4 12512 B13R1.84 CCC1CCCCC1OCCCO 7a_100000210738_100011215043 [1,0,0,1,0,0|1,0,1]=4 12513 B13R1.84 CCC1CCCCC1OCCOC 34a_100000210738_100011201679 [1,0,0,1,0,0|1,0,1]=4 12514 B13R1.84 CCC1CCCCC1OCCOC 7a_100000210738_100000233755 [1,0,0,1,0,0|1,0,1]=4 12515 B13R1.84 CCC1CCCCC1OCCSC 34a_100000210738_100000212216 [1,0,0,1,0,0|1,0,1]=4 12516 B13R1.84 CCC1CCCCC1OCCSC 7a_100000210738_100000212216 [1,0,0,1,0,0|1,0,1]=4 12517 B13R1.84 CCCCCN1CCOC[C@@H]1CC 2230a_100016988097_100000210326 [1,0,0,1,0,0|1,0,1]=4 12518 B13R1.84 CCCCCN1CCOC[C@@H]1CC 269982a_100016988097_100000210215 [1,0,0,1,0,0|1,0,1]=4 12519 B13R1.84 CCCCCN1CCOC[C@@H]1CC 34a_100016988097_100000718602 [1,0,0,1,0,0|1,0,1]=4 12520 B13R1.84 CCCCNC1CCCCC1CC 269862a_100000102301_100000757040 [1,0,0,1,0,0|1,0,1]=4 12521 B13R1.84 CCCCNC1CCCCC1CC 270004a_100000102301_100000757040 [1,0,0,1,0,0|1,0,1]=4 12522 B13R1.84 CCCCOC1CCCCC1CC 34a_100000210738_100000210210 [1,0,0,1,0,0|0,0,1]=3 12523 B13R1.84 CCCCOC1CCCCC1CC 7a_100000210738_100000210211 [1,0,0,1,0,0|0,0,1]=3 12524 B13R1.84 CCCCOC1CCCCC1CN 34a_100011216029_100000210210 [1,0,0,1,0,0|1,0,1]=4 12525 B13R1.84 CCCCO[C@@H]1CCCC[C@H]1NC 34a_100000708425_100000210210 [1,0,0,1,0,0|1,0,1]=4 12526 B13R1.84 CCCCO[C@H]1CCCC[C@@H]1OC 34a_200009815850_100000210210 [1,0,0,1,0,0|1,0,1]=4 12527 B13R1.84 CCCCO[C@H]1CCCC[C@@H]1OC 7a_200009815850_100000210211 [1,0,0,1,0,0|1,0,1]=4 12528 B13R1.137 CCCCCCN1CC=CC1CC 2230a_100000730860_100000210314 [1,0,0,1,0,0|2,0,0]=4 12529 B13R1.137 CCCCCCN1CC=CC1CC 269982a_100000730860_100000210757 [1,0,0,1,0,0|2,0,0]=4 12530 B13R1.137 CCCCCCN1CC=CC1CC 34a_100000730860_100000210314 [1,0,0,1,0,0|2,0,0]=4 12531 B13R1.137 CCCCOCN1CCCC1CC 2230a_100000754278_100011995733 [1,0,0,1,0,0|1,0,1]=4 12532 B13R1.137 CCCCOCN1CCCC1CC 269982a_100000754278_100011995733 [1,0,0,1,0,0|1,0,1]=4 12533 B13R1.137 CCCCOCN1CCCC1CC 34a_100000754278_100011995733 [1,0,0,1,0,0|1,0,1]=4 12534 B13R1.137 CCCCOC[C@H]1CCCN1CC 34a_100011739246_100000210210 [1,0,0,1,0,0|1,0,1]=4 12535 B13R1.137 CCCCOC[C@H]1CCCN1CC 7a_100011739246_100000210211 [1,0,0,1,0,0|1,0,1]=4 12536 B13R1.485 CCCCN1CCCCC1CCC 2230a_100000701414_100000210211 [1,0,0,1,0,0|1,0,1]=4 12537 B13R1.485 CCCCN1CCCCC1CCC 269982a_100000701414_100000210211 [1,0,0,1,0,0|1,0,1]=4 12538 B13R1.485 CCCCN1CCCCC1CCC 34a_100000701414_100000210210 [1,0,0,1,0,0|1,0,1]=4 12539 B13R1.485 CCCNC1CCCCC1CCC 269862a_100020643023_100011218038 [1,0,0,1,0,0|2,0,0]=4 12540 B13R1.485 CCCNC1CCCCC1CCC 270004a_100020643023_100011218038 [1,0,0,1,0,0|2,0,0]=4 12541 B13R1.485 CCCOC1CCCCC1CCC 34a_100011217265_100000210303 [1,0,0,1,0,0|2,0,0]=4 12542 B13R1.485 CCCOC1CCCCC1CCC 7a_100011217265_100000210303 [1,0,0,1,0,0|2,0,0]=4 12543 B13R1.489 CCCCN1CCCCCCCC1 2230a_100000039187_100000210211 [1,0,0,1,0,0|1,0,1]=4 12544 B13R1.489 CCCCN1CCCCCCCC1 269982a_100000039187_100000210211 [1,0,0,1,0,0|1,0,1]=4 12545 B13R1.489 CCCCN1CCCCCCCC1 34a_100000039187_100000210210 [1,0,0,1,0,0|1,0,1]=4 12546 B13R1.489 CCCNC1CCCCCCCC1 270004a_100020643023_100000038600 [1,0,0,1,0,0|2,0,0]=4 12547 B13R1.555 CCCCNCC1CC=CCC1C 269862a_100000102301_100000117039 [1,0,0,1,0,0|2,0,0]=4 12548 B13R1.555 CCCCNCC1CC=CCC1C 270004a_100000102301_100000117039 [1,0,0,1,0,0|2,0,0]=4 12549 B13R1.555 CCCCOCC1CC=CCC1C 34a_100000211322_100000210210 [1,0,0,1,0,0|2,0,0]=4 12550 B13R1.555 CCCCOCC1CCCCN1C 34a_100000210227_100015186950 [1,0,0,1,0,0|1,0,1]=4 12551 B13R1.555 CCCCOCC1CCCCN1C 34a_100000225079_100000210210 [1,0,0,1,0,0|1,0,1]=4 12552 B13R1.555 CCCCOCC1CCCCN1C 7a_100000210227_100015185383 [1,0,0,1,0,0|1,0,1]=4 12553 B13R1.555 CCCCOCN1CCCCC1C 2230a_100000211376_100011995733 [1,0,0,1,0,0|1,0,1]=4 12554 B13R1.555 CCCCOCN1CCCCC1C 269982a_100000211376_100011995733 [1,0,0,1,0,0|1,0,1]=4 12555 B13R1.555 CCCCOCN1CCCCC1C 34a_100000211376_100011995733 [1,0,0,1,0,0|1,0,1]=4 12556 B13R1.559 CCCCOCCOCC1CC1C 34a_100000744939_100000743108 [1,0,0,1,0,0|1,0,1]=4 12557 B13R1.559 CCCCOCCOCC1CC1C 7a_100000744939_100000743108 [1,0,0,1,0,0|1,0,1]=4 12558 B13R1.560 BrCCCCCCCOC1CCC1 34a_100000760002_100000749161 [1,0,0,1,0,0|1,0,1]=4 12559 B13R1.560 CCCCCCCCCN1CCC1 269982a_100000754969_100000210670 [1,0,0,1,0,0|2,0,0]=4 12560 B13R1.560 CCCCCCCCNC1CCC1 2230a_100000749019_100000210759 [1,0,0,1,0,0|1,0,1]=4 12561 B13R1.560 CCCCCCCCNC1CCC1 270004a_100000229939_100000241760 [1,0,0,1,0,0|1,0,1]=4 12562 B13R1.560 CCCCCCCCNC1CCC1 34a_100000229939_100000749161 [1,0,0,1,0,0|1,0,1]=4 12563 B13R1.560 CCCCCCCCNC1CCC1 34a_100000749019_100000210759 [1,0,0,1,0,0|1,0,1]=4 12564 B13R1.560 CCCCCCCCOC1CCC1 34a_100000210232_100000749161 [1,0,0,1,0,0|0,0,1]=3 12565 B13R1.560 CCCCCCCCOC1CCC1 34a_100000748187_100000210759 [1,0,0,1,0,0|0,0,1]=3 12566 B13R1.560 CCCCCCCCOC1COC1 34a_100000210232_100009818527 [1,0,0,1,0,0|1,0,1]=4 12567 B13R1.560 CCCCCCCCOC1COC1 7a_100000210232_100009818527 [1,0,0,1,0,0|1,0,1]=4 12568 B13R1.560 CCCCCCCCOC1CSC1 7a_100000072292_100000210759 [1,0,0,1,0,0|1,0,1]=4 12569 B13R1.560 CCCCCCCCSC1CCC1 62a_100000210759_100000749161 [1,0,0,1,0,0|0,1,1]=4 12570 B13R1.560 CCCCCNCCOC1CCC1 34a_100000224656_100000749161 [1,0,0,1,0,0|1,0,1]=4 12571 B13R1.560 CCCCCOCCOC1CCC1 34a_100011215259_100000749161 [1,0,0,1,0,0|1,0,1]=4 12572 B13R1.560 CCCCOCCCNC1CCC1 270004a_200000211371_100000241760 [1,0,0,1,0,0|1,0,1]=4 12573 B13R1.560 CCCCOCCCNC1CCC1 34a_200000211371_100000749161 [1,0,0,1,0,0|1,0,1]=4 12574 B13R1.560 CCCCOCCCOC1CCC1 34a_200011215613_100000749161 [1,0,0,1,0,0|1,0,1]=4 12575 B13R1.560 CCCCOCCNCC1CCC1 2230a_100000738700_100000743108 [1,0,0,1,0,0|1,0,1]=4 12576 B13R1.560 CCCCOCCNCC1CCC1 34a_100000738700_100000743108 [1,0,0,1,0,0|1,0,1]=4 12577 B13R1.560 CCCCOCCOCC1CCC1 34a_100000210238_100000763275 [1,0,0,1,0,0|1,0,1]=4 12578 B13R1.560 CCCCOCCOCC1CCC1 34a_100000760304_100000743108 [1,0,0,1,0,0|1,0,1]=4 12579 B13R1.560 CCCCOCCOCC1CCC1 7a_100000210238_100000763275 [1,0,0,1,0,0|1,0,1]=4 12580 B13R1.560 CCCCOCCSCC1CCC1 62a_100000743108_100000763275 [1,0,0,1,0,0|1,0,1]=4 12581 B13R1.560 CCCCOCCSCC1CCC1 62a_100000763275_100000743108 [1,0,0,1,0,0|1,0,1]=4 12582 B13R1.560 COCCCCCCOC1CCC1 34a_100000748187_100011998445 [1,0,0,1,0,0|1,0,1]=4 12583 B13R1.560 COCCCCCCOC1CCC1 34a_200012092642_100000749161 [1,0,0,1,0,0|1,0,1]=4 12584 B13R1.560 NCCCCCCCOC1CCC1 34a_100011996573_100000749161 [1,0,0,1,0,0|1,0,1]=4 12585 B13R1.560 OCCCCCCCOC1CCC1 34a_100000748187_100000760002 [1,0,0,1,0,0|1,0,1]=4 12586 B13R1.579 CCCCC1CCCC1NCCC 269862a_100020643023_100000750825 [1,0,0,1,0,0|2,0,0]=4 12587 B13R1.579 CCCCC1CCCC1NCCC 270004a_100020643023_100000750825 [1,0,0,1,0,0|2,0,0]=4 12588 B13R1.659 BrCCCCCCCOCC1CC1 34a_100000760002_100000742324 [1,0,0,1,0,0|1,0,1]=4 12589 B13R1.659 BrCCCCCCCOCC1CC1 7a_100000760002_100000742324 [1,0,0,1,0,0|1,0,1]=4 12590 B13R1.659 CCCCCCCCCNC1CC1 34a_100000212008_100011214924 [1,0,0,1,0,0|2,0,0]=4 12591 B13R1.659 CCCCCCCCCNC1CC1 34a_100000212291_100000211595 [1,0,0,1,0,0|2,0,0]=4 12592 B13R1.659 CCCCCCCCCOC1CC1 34a_100000210712_100000211595 [1,0,0,1,0,0|2,0,0]=4 12593 B13R1.659 CCCCCCCCNCC1CC1 2230a_100000229939_100000742324 [1,0,0,1,0,0|1,0,1]=4 12594 B13R1.659 CCCCCCCCNCC1CC1 2230a_100000735609_100000210759 [1,0,0,1,0,0|1,0,1]=4 12595 B13R1.659 CCCCCCCCNCC1CC1 269862a_100000229939_100000741477 [1,0,0,1,0,0|1,0,1]=4 12596 B13R1.659 CCCCCCCCNCC1CC1 34a_100000229939_100000742324 [1,0,0,1,0,0|1,0,1]=4 12597 B13R1.659 CCCCCCCCNCC1CC1 34a_100000735609_100000210759 [1,0,0,1,0,0|1,0,1]=4 12598 B13R1.659 CCCCCCCCOCC1CC1 34a_100000210232_100000742324 [1,0,0,1,0,0|0,0,1]=3 12599 B13R1.659 CCCCCCCCOCC1CC1 34a_100000211283_100000210759 [1,0,0,1,0,0|0,0,1]=3 12600 B13R1.659 CCCCCCCCOCC1CC1 7a_100000210232_100000742324 [1,0,0,1,0,0|0,0,1]=3 12601 B13R1.659 CCCCCCCCOCC1CO1 34a_100000210232_102125554688 [1,0,0,1,0,0|1,0,1]=4 12602 B13R1.659 CCCCCCCCOCC1CO1 7a_100000210232_102125554688 [1,0,0,1,0,0|1,0,1]=4 12603 B13R1.659 CCCCCCCCOCC1CS1 7a_100000210232_100000031435 [1,0,0,1,0,0|1,0,1]=4 12604 B13R1.659 CCCCCCCCOC[C@@H]1CO1 34a_100000757423_100000210759 [1,0,0,1,0,0|1,0,1]=4 12605 B13R1.659 CCCCCCCCOC[C@@H]1CO1 7a_100000210232_100000745022 [1,0,0,1,0,0|1,0,1]=4 12606 B13R1.659 CCCCCCCCSCC1CC1 62a_100000210759_100000742324 [1,0,0,1,0,0|0,1,1]=4 12607 B13R1.659 CCCCCCCCSCC1CC1 62a_100000756562_100000210317 [1,0,0,1,0,0|0,1,1]=4 12608 B13R1.659 CCCCCNCCOCC1CC1 34a_100000224656_100000742324 [1,0,0,1,0,0|1,0,1]=4 12609 B13R1.659 CCCCCOCCOCC1CC1 34a_100011215259_100000742324 [1,0,0,1,0,0|1,0,1]=4 12610 B13R1.659 CCCCCOCCOCC1CC1 7a_100011215259_100000742324 [1,0,0,1,0,0|1,0,1]=4 12611 B13R1.659 CCCCOCCCCOC1CC1 34a_200000760531_100000211595 [1,0,0,1,0,0|1,0,1]=4 12612 B13R1.659 CCCCOCCCNCC1CC1 2230a_200000211371_100000742324 [1,0,0,1,0,0|1,0,1]=4 12613 B13R1.659 CCCCOCCCNCC1CC1 269862a_200000211371_100000741477 [1,0,0,1,0,0|1,0,1]=4 12614 B13R1.659 CCCCOCCCNCC1CC1 34a_200000211371_100000742324 [1,0,0,1,0,0|1,0,1]=4 12615 B13R1.659 CCCCOCCCOCC1CC1 34a_200011215613_100000742324 [1,0,0,1,0,0|1,0,1]=4 12616 B13R1.659 CCCCOCCCOCC1CC1 7a_200011215613_100000742324 [1,0,0,1,0,0|1,0,1]=4 12617 B13R1.659 CCCCOCCNCCC1CC1 34a_100000764129_100000743108 [1,0,0,1,0,0|1,0,1]=4 12618 B13R1.659 CCCCOCCOCCC1CC1 34a_100000210238_100000694398 [1,0,0,1,0,0|1,0,1]=4 12619 B13R1.659 CCCCOCCOCCC1CC1 34a_100000754188_100000743108 [1,0,0,1,0,0|1,0,1]=4 12620 B13R1.659 CCCCOCCOCCC1CC1 7a_100000210238_100000764125 [1,0,0,1,0,0|1,0,1]=4 12621 B13R1.659 CCCCOCCOCCC1CC1 7a_100000754188_100000743108 [1,0,0,1,0,0|1,0,1]=4 12622 B13R1.659 CCCCOCCSCCC1CC1 62a_100000743108_100000764125 [1,0,0,1,0,0|1,0,1]=4 12623 B13R1.659 CCCCOCCSCCC1CC1 62a_100000764125_100000743108 [1,0,0,1,0,0|1,0,1]=4 12624 B13R1.659 COCCCCCCOCC1CC1 34a_100000211283_100011998445 [1,0,0,1,0,0|1,0,1]=4 12625 B13R1.659 COCCCCCCOCC1CC1 34a_200012092642_100000742324 [1,0,0,1,0,0|1,0,1]=4 12626 B13R1.659 COCCCCCCOCC1CC1 7a_200012092642_100000742324 [1,0,0,1,0,0|1,0,1]=4 12627 B13R1.659 NCCCCCCCOCC1CC1 34a_100011996573_100000742324 [1,0,0,1,0,0|1,0,1]=4 12628 B13R1.659 OCCCCCCCOCC1CC1 34a_100000211283_100000760002 [1,0,0,1,0,0|1,0,1]=4 12629 B13R1.667 CCCCCCCCN1CCC1C 269982a_100000755817_100000210759 [1,0,0,1,0,0|1,0,1]=4 12630 B13R1.667 CCCCCCCCN1CCC1C 34a_100000755817_100000210759 [1,0,0,1,0,0|1,0,1]=4 12631 B13R1.671 CCCCNC1CCCC1CCC 269862a_100000102301_100000723119 [1,0,0,1,0,0|1,0,1]=4 12632 B13R1.671 CCCCNC1CCCC1CCC 270004a_100000102301_100000723119 [1,0,0,1,0,0|1,0,1]=4 12633 B13R1.1150 CCCCNC1CC/C=C\CCC1 7a_106832991798_100021000466 [1,0,0,1,0,0|2,0,0]=4 12634 B13R1.1150 CCCCNC1CCCCCCC1 2230a_100000211152_100000210211 [1,0,0,1,0,0|1,0,1]=4 12635 B13R1.1150 CCCCNC1CCCCCCC1 270004a_100000102301_100000210524 [1,0,0,1,0,0|1,0,1]=4 12636 B13R1.1150 CCCCNC1CCCCCCC1 34a_100000211152_100000210210 [1,0,0,1,0,0|1,0,1]=4 12637 B13R1.1150 CCCCOC1CC/C=C\CCC1 34a_100000210227_100021000466 [1,0,0,1,0,0|2,0,0]=4 12638 B13R1.1150 CCCCOC1CC/C=C\CCC1 34a_100016989180_100000210210 [1,0,0,1,0,0|2,0,0]=4 12639 B13R1.1150 CCCCOC1CC/C=C\CCC1 7a_100000210227_100021000466 [1,0,0,1,0,0|2,0,0]=4 12640 B13R1.1150 CCCCOC1CCCCCCC1 34a_100000210054_100000210210 [1,0,0,1,0,0|0,0,1]=3 12641 B13R1.1150 CCCCOC1CCCCCCC1 7a_100000210054_100000210211 [1,0,0,1,0,0|0,0,1]=3 12642 B13R1.1150 CCCCSC1CC/C=C\CCC1 62a_100000210211_100021000466 [1,0,0,1,0,0|2,0,0]=4 12643 B13R1.1150 CCCCSC1CC/C=C\CCC1 62a_100021000466_100000210210 [1,0,0,1,0,0|2,0,0]=4 12644 B13R1.1150 CCCNCC1CC/C=C\CCC1 2230a_100102730862_100000210303 [1,0,0,1,0,0|2,0,0]=4 12645 B13R1.1150 CCCNCC1CC/C=C\CCC1 34a_100102730862_100000210303 [1,0,0,1,0,0|2,0,0]=4 12646 B13R1.1150 CCCOCC1CCCCCCC1 34a_100011216312_100000210303 [1,0,0,1,0,0|2,0,0]=4 12647 B13R1.1150 CCCOCC1CCCCCCC1 7a_100011216312_100000210303 [1,0,0,1,0,0|2,0,0]=4 12648 B13R1.1150 COCCOC1CCCCCCC1 34a_100000210054_100011201679 [1,0,0,1,0,0|1,0,1]=4 12649 B13R1.1150 COCCOC1CCCCCCC1 7a_100000210054_100000233755 [1,0,0,1,0,0|1,0,1]=4 12650 B13R1.1150 CSCCOC1CCCCCCC1 34a_100000210054_100000212216 [1,0,0,1,0,0|1,0,1]=4 12651 B13R1.1150 CSCCOC1CCCCCCC1 7a_100000210054_100000212216 [1,0,0,1,0,0|1,0,1]=4 12652 B13R1.1150 FCCCOC1CCCCCCC1 34a_100000210054_100011934791 [1,0,0,1,0,0|1,0,1]=4 12653 B13R1.1150 FCCCOC1CCCCCCC1 7a_100000210054_100011934791 [1,0,0,1,0,0|1,0,1]=4 12654 B13R1.1150 OCCCOC1CCCCCCC1 34a_100000210054_100000230001 [1,0,0,1,0,0|1,0,1]=4 12655 B13R1.1150 OCCCOC1CCCCCCC1 7a_100000210054_100011215043 [1,0,0,1,0,0|1,0,1]=4 12656 B13R1.1887 BrCCCOCC1CCCCCC1 34a_100011217188_200000696569 [1,0,0,1,0,0|1,0,1]=4 12657 B13R1.1887 CCCCNCC1CCCCCC1 2230a_100000102301_200000696569 [1,0,0,1,0,0|1,0,1]=4 12658 B13R1.1887 CCCCNCC1CCCCCC1 2230a_100015204231_100000210211 [1,0,0,1,0,0|1,0,1]=4 12659 B13R1.1887 CCCCNCC1CCCCCC1 269862a_100000102301_200000763224 [1,0,0,1,0,0|1,0,1]=4 12660 B13R1.1887 CCCCNCC1CCCCCC1 34a_100015204231_100000210210 [1,0,0,1,0,0|1,0,1]=4 12661 B13R1.1887 CCCCNCC1CCCCCC1 7a_106832991798_200000696569 [1,0,0,1,0,0|1,0,1]=4 12662 B13R1.1887 CCCCOCC1CCCCCC1 34a_100000210227_200000696569 [1,0,0,1,0,0|0,0,1]=3 12663 B13R1.1887 CCCCOCC1CCCCCC1 34a_100000699130_100000210210 [1,0,0,1,0,0|0,0,1]=3 12664 B13R1.1887 CCCCOCC1CCCCCC1 7a_100000210227_200000696569 [1,0,0,1,0,0|0,0,1]=3 12665 B13R1.1887 CCCCOCC1CCCCCC1 7a_100000699130_100000210211 [1,0,0,1,0,0|0,0,1]=3 12666 B13R1.1887 CCCCOCN1CCCCCC1 2230a_100000185865_100011995733 [1,0,0,1,0,0|1,0,1]=4 12667 B13R1.1887 CCCCOCN1CCCCCC1 269982a_100000185865_100011995733 [1,0,0,1,0,0|1,0,1]=4 12668 B13R1.1887 CCCCOCN1CCCCCC1 34a_100000185865_100011995733 [1,0,0,1,0,0|1,0,1]=4 12669 B13R1.1887 CCCCSCC1CCCCCC1 62a_100000210211_200000696569 [1,0,0,1,0,0|0,1,1]=4 12670 B13R1.1887 CCCCSCC1CCCCCC1 62a_200000696569_100000210210 [1,0,0,1,0,0|0,1,1]=4 12671 B13R1.1887 CCCNCCC1CCCCCC1 2230a_100011532351_100000210303 [1,0,0,1,0,0|2,0,0]=4 12672 B13R1.1887 CCCNCCC1CCCCCC1 34a_100011532351_100000210303 [1,0,0,1,0,0|2,0,0]=4 12673 B13R1.1887 COCCOCC1CCCCCC1 34a_100000210237_200000696569 [1,0,0,1,0,0|1,0,1]=4 12674 B13R1.1887 COCCOCC1CCCCCC1 34a_100000699130_100011201679 [1,0,0,1,0,0|1,0,1]=4 12675 B13R1.1887 COCCOCC1CCCCCC1 7a_100000699130_100000233755 [1,0,0,1,0,0|1,0,1]=4 12676 B13R1.1887 CSCCOCC1CCCCCC1 34a_100000230434_200000696569 [1,0,0,1,0,0|1,0,1]=4 12677 B13R1.1887 CSCCOCC1CCCCCC1 34a_100000699130_100000212216 [1,0,0,1,0,0|1,0,1]=4 12678 B13R1.1887 CSCCOCC1CCCCCC1 7a_100000230434_200000696569 [1,0,0,1,0,0|1,0,1]=4 12679 B13R1.1887 CSCCOCC1CCCCCC1 7a_100000699130_100000212216 [1,0,0,1,0,0|1,0,1]=4 12680 B13R1.1887 ClCCCOCC1CCCCCC1 34a_100000230001_200000696569 [1,0,0,1,0,0|1,0,1]=4 12681 B13R1.1887 FCCCOCC1CCCCCC1 34a_100000699130_100011934791 [1,0,0,1,0,0|1,0,1]=4 12682 B13R1.1887 FCCCOCC1CCCCCC1 34a_100000759539_200000696569 [1,0,0,1,0,0|1,0,1]=4 12683 B13R1.1887 FCCCOCC1CCCCCC1 7a_100000699130_100011934791 [1,0,0,1,0,0|1,0,1]=4 12684 B13R1.1887 NCCCOCC1CCCCCC1 34a_100000182051_200000696569 [1,0,0,1,0,0|1,0,1]=4 12685 B13R1.1887 OCCCOCC1CCCCCC1 34a_100000699130_100000230001 [1,0,0,1,0,0|1,0,1]=4 12686 B13R1.1887 OCCCOCC1CCCCCC1 7a_100000699130_100011215043 [1,0,0,1,0,0|1,0,1]=4 12687 B13R1.9 CCCCCNC1CCC(=O)NC1 2230a_100000748762_100000210326 [1,0,0,1,0,0|2,0,0]=4 12688 B13R1.9 CCCCCNC1CCC(=O)NC1 34a_100000748762_100000718602 [1,0,0,1,0,0|2,0,0]=4 12689 B13R1.9 CCCCCOC1CCC(=O)CC1 34a_100000764474_100000718602 [1,0,0,1,0,0|2,0,0]=4 12690 B13R1.9 CCCCCOC1CCC(=O)CC1 7a_100000764474_100000210326 [1,0,0,1,0,0|2,0,0]=4 12691 B13R1.9 CCCCCOC1CCC(=O)NC1 34a_100000079199_100000718602 [1,0,0,1,0,0|2,0,0]=4 12692 B13R1.9 CCCCOCC1CCC(=O)CC1 34a_100000062911_100000210210 [1,0,0,1,0,0|2,0,0]=4 12693 B13R1.16 CCCCCN1CCNC(=O)C1C 2230a_100000750721_100000210326 [1,0,0,1,0,0|2,0,0]=4 12694 B13R1.16 CCCCCN1CCNC(=O)C1C 269982a_100000750721_100000210215 [1,0,0,1,0,0|2,0,0]=4 12695 B13R1.16 CCCCCN1CCNC(=O)C1C 34a_100000750721_100000718602 [1,0,0,1,0,0|2,0,0]=4 12696 B13R1.27 CCCCCCOC1CCC(=O)C1 34a_100012614533_100000210314 [1,0,0,1,0,0|2,0,0]=4 12697 B13R1.27 CCCCCCOC1COC(=O)O1 34a_100000210259_100000032252 [1,0,0,1,0,0|2,0,0]=4 12698 B13R1.27 CCCCCCSC1COC(=O)O1 62a_100000210314_100000032252 [1,0,0,1,0,0|2,0,0]=4 12699 B13R1.27 CCCCCNCC1CNC(=O)O1 2230a_100000209983_100000181169 [1,0,0,1,0,0|2,0,0]=4 12700 B13R1.27 CCCCCNC[C@@H]1CCC(=O)N1 2230a_100000209983_100015189358 [1,0,0,1,0,0|2,0,0]=4 12701 B13R1.27 CCCCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210326 [1,0,0,1,0,0|2,0,0]=4 12702 B13R1.27 CCCCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000718602 [1,0,0,1,0,0|2,0,0]=4 12703 B13R1.27 CCCCCOCC1CCC(=O)N1 34a_100000737831_100000718602 [1,0,0,1,0,0|2,0,0]=4 12704 B13R1.27 CCCCCOCC1CNC(=O)O1 34a_100000210253_100000181169 [1,0,0,1,0,0|2,0,0]=4 12705 B13R1.27 CCCCCOCC1CNC(=O)O1 34a_100011315639_100000718602 [1,0,0,1,0,0|2,0,0]=4 12706 B13R1.27 CCCCCOCC1CNC(=O)O1 7a_100000210253_100000181169 [1,0,0,1,0,0|2,0,0]=4 12707 B13R1.27 CCCCCOCC1COC(=O)O1 34a_100000210253_100000073702 [1,0,0,1,0,0|2,0,0]=4 12708 B13R1.27 CCCCCOC[C@@H]1CCC(=O)N1 7a_100000210253_100015189358 [1,0,0,1,0,0|2,0,0]=4 12709 B13R1.27 CCCCCSCC1CNC(=O)O1 62a_100000181169_100000210326 [1,0,0,1,0,0|2,0,0]=4 12710 B13R1.27 CCCCCSCC1CNC(=O)O1 62a_100000210326_100000181169 [1,0,0,1,0,0|2,0,0]=4 12711 B13R1.27 CCCCCSCC1COC(=O)O1 62a_100000073702_100000210326 [1,0,0,1,0,0|2,0,0]=4 12712 B13R1.27 CCCCCSCC1COC(=O)O1 62a_100000210326_100000073702 [1,0,0,1,0,0|2,0,0]=4 12713 B13R1.27 CCCCCSC[C@@H]1CCC(=O)N1 62a_100000210326_100015189358 [1,0,0,1,0,0|2,0,0]=4 12714 B13R1.27 CCCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210326 [1,0,0,1,0,0|2,0,0]=4 12715 B13R1.91 CCC(=O)CN1CCCCC1CC 269982a_100000210034_100000747405 [1,0,0,1,0,0|2,0,0]=4 12716 B13R1.91 CCC(=O)NC1CCCCC1OC 11a_100011208099_100000210414 [1,0,0,1,0,0|2,0,0]=4 12717 B13R1.91 CCC(=O)NC1CCCCC1OC 1626a_100011208099_100000210414 [1,0,0,1,0,0|2,0,0]=4 12718 B13R1.91 CCC(=O)NC1CCCCC1OC 240690a_100011208099_100000210414 [1,0,0,1,0,0|2,0,0]=4 12719 B13R1.91 CCC(=O)NC1CCCCC1OC 527a_100011208099_100000210414 [1,0,0,1,0,0|2,0,0]=4 12720 B13R1.91 CCC(C)OC1CCCCC1CC 34a_100000210738_100011215416 [1,0,0,1,0,0|1,0,1]=4 12721 B13R1.91 CCC(C)OC1CCCCC1CC 7a_100000210738_100000758301 [1,0,0,1,0,0|1,0,1]=4 12722 B13R1.382 CCC(=O)N1CCCCC1CCO 240690a_100000211664_100000210414 [1,0,0,1,0,0|2,0,0]=4 12723 B13R1.382 CCC(=O)N1CCCCC1COC 11a_100015184032_100000210414 [1,0,0,1,0,0|2,0,0]=4 12724 B13R1.382 CCC(=O)N1CCCCC1COC 1626a_100015184032_100000210414 [1,0,0,1,0,0|2,0,0]=4 12725 B13R1.382 CCC(=O)N1CCCCC1COC 240690a_100015184032_100000210414 [1,0,0,1,0,0|2,0,0]=4 12726 B13R1.382 CCC(=O)N1CCCCC1COC 527a_100015184032_100000210414 [1,0,0,1,0,0|2,0,0]=4 12727 B13R1.382 CCCC1CCCCN1C(=O)CC 11a_100000701414_100000210414 [1,0,0,1,0,0|1,0,0]=3 12728 B13R1.382 CCCC1CCCCN1C(=O)CC 1626a_100000701414_100000210414 [1,0,0,1,0,0|1,0,0]=3 12729 B13R1.382 CCCC1CCCCN1C(=O)CC 240690a_100000701414_100000210414 [1,0,0,1,0,0|1,0,0]=3 12730 B13R1.382 CCCC1CCCCN1C(=O)CC 527a_100000701414_100000210414 [1,0,0,1,0,0|1,0,0]=3 12731 B13R1.382 CCCC1CCCCN1C(=O)CO 240690a_100000701414_100000210174 [1,0,0,1,0,0|2,0,0]=4 12732 B13R1.382 CCCC1CCCCN1C(=O)CO 527a_100000701414_100000210174 [1,0,0,1,0,0|2,0,0]=4 12733 B13R1.382 CCCC1CCCCN1C(=O)NC 2708a_100102657272_100000701414 [1,0,0,1,0,0|2,0,0]=4 12734 B13R1.382 CCCC1CCCCN1C(=O)NC 273464a_100102657272_100000701414 [1,0,0,1,0,0|2,0,0]=4 12735 B13R1.382 CCCC1COCCN1C(=O)CC 11a_102495339903_100000210414 [1,0,0,1,0,0|2,0,0]=4 12736 B13R1.382 CCCC1COCCN1C(=O)CC 1626a_102495339903_100000210414 [1,0,0,1,0,0|2,0,0]=4 12737 B13R1.382 CCCC1COCCN1C(=O)CC 240690a_102495339903_100000210414 [1,0,0,1,0,0|2,0,0]=4 12738 B13R1.382 CCCC1COCCN1C(=O)CC 527a_102495339903_100000210414 [1,0,0,1,0,0|2,0,0]=4 12739 B13R1.382 CCCN1CCCCC1C(=O)CC 1458a_100000743559_100000210202 [1,0,0,1,0,0|2,0,0]=4 12740 B13R1.528 CCC(=O)CCC1CCCCN1C 1458a_100000210414_100000211948 [1,0,0,1,0,0|2,0,0]=4 12741 B13R1.528 CCC(=O)CCC1CCCCN1C 1458a_100000718493_100000210202 [1,0,0,1,0,0|2,0,0]=4 12742 B13R1.528 CCC(=O)COC1CCCCC1C 1458a_100011223357_100000210202 [1,0,0,1,0,0|2,0,0]=4 12743 B13R1.528 CCC(=O)COC1CCCCC1C 7a_100000211207_100000747405 [1,0,0,1,0,0|2,0,0]=4 12744 B13R1.528 CCC(=O)NCC1CCCCC1O 240690a_100011216029_100000210414 [1,0,0,1,0,0|2,0,0]=4 12745 B13R1.528 CCC(=O)NCC1CCCCC1O 527a_100011216029_100000210414 [1,0,0,1,0,0|2,0,0]=4 12746 B13R1.528 CCC(=O)NCC1CCCCN1C 240690a_100011228421_100000210414 [1,0,0,1,0,0|2,0,0]=4 12747 B13R1.528 CCC(=O)NCC1CCCCN1C 527a_100011228421_100000210414 [1,0,0,1,0,0|2,0,0]=4 12748 B13R1.536 CCC(=O)COCCC1CCCC1 34a_100000725409_100000760354 [1,0,0,1,0,0|2,0,0]=4 12749 B13R1.536 CCC(=O)COCCC1CCCC1 7a_100000749090_100000747405 [1,0,0,1,0,0|2,0,0]=4 12750 B13R1.536 CCC(=O)CSCCC1CCCC1 62a_100000747405_100000760354 [1,0,0,1,0,0|2,0,0]=4 12751 B13R1.536 CCC(=O)CSCCC1CCCC1 62a_100000760354_100000747405 [1,0,0,1,0,0|2,0,0]=4 12752 B13R1.536 CCC(=O)NCCCC1CCCC1 11a_100000736752_100000210414 [1,0,0,1,0,0|1,0,0]=3 12753 B13R1.536 CCC(=O)NCCCC1CCCC1 1626a_100000736752_100000210414 [1,0,0,1,0,0|1,0,0]=3 12754 B13R1.536 CCC(=O)NCCCC1CCCC1 240690a_100000736752_100000210414 [1,0,0,1,0,0|1,0,0]=3 12755 B13R1.536 CCC(=O)NCCCC1CCCC1 527a_100000736752_100000210414 [1,0,0,1,0,0|1,0,0]=3 12756 B13R1.536 CCC(=O)NCCCN1CCCC1 240690a_100000204695_100000210414 [1,0,0,1,0,0|2,0,0]=4 12757 B13R1.536 CCC(=O)NCCNC1CCCC1 270004a_100132302217_100000210133 [1,0,0,1,0,0|2,0,0]=4 12758 B13R1.536 CCC(=O)NCCNC1CCCC1 34a_100132302217_100000179811 [1,0,0,1,0,0|2,0,0]=4 12759 B13R1.536 CCC(=O)NCCOC1CCCC1 11a_100000741755_100000210414 [1,0,0,1,0,0|2,0,0]=4 12760 B13R1.536 CCC(=O)NCCOC1CCCC1 1626a_100000741755_100000210414 [1,0,0,1,0,0|2,0,0]=4 12761 B13R1.536 CCC(=O)NCCOC1CCCC1 240690a_100000741755_100000210414 [1,0,0,1,0,0|2,0,0]=4 12762 B13R1.536 CCC(=O)NCCOC1CCCC1 34a_200000158885_100000179811 [1,0,0,1,0,0|2,0,0]=4 12763 B13R1.536 CCC(=O)NCCOC1CCCC1 527a_100000741755_100000210414 [1,0,0,1,0,0|2,0,0]=4 12764 B13R1.536 CCC(=O)NCCOC1CCCC1 7a_200000158885_100000179811 [1,0,0,1,0,0|2,0,0]=4 12765 B13R1.536 CCC(=O)OCCOC1CCCC1 7a_200000031056_100000179811 [1,0,0,1,0,0|1,0,0]=3 12766 B13R1.536 CCC(=O)OCCOC1CCOC1 7a_200000031056_100000731011 [1,0,0,1,0,0|2,0,0]=4 12767 B13R1.536 CCC(C)OCCCC1CCCC1 34a_100011215328_100011215416 [1,0,0,1,0,0|1,0,1]=4 12768 B13R1.536 CCC(C)OCCCC1CCCC1 7a_100000210228_100011713738 [1,0,0,1,0,0|1,0,1]=4 12769 B13R1.536 CCC(C)OCCCC1CCCC1 7a_100011215328_100000758301 [1,0,0,1,0,0|1,0,1]=4 12770 B13R1.536 CNC(=O)NCCCC1CCCC1 2708a_100000736752_106832991635 [1,0,0,1,0,0|2,0,0]=4 12771 B13R1.536 CNC(=O)NCCCC1CCCC1 2708a_100102657272_100000736752 [1,0,0,1,0,0|2,0,0]=4 12772 B13R1.536 CNC(=O)NCCCC1CCCC1 273464a_100000736752_100102657272 [1,0,0,1,0,0|2,0,0]=4 12773 B13R1.536 CNC(=O)NCCCC1CCCC1 273464a_100102657272_100000736752 [1,0,0,1,0,0|2,0,0]=4 12774 B13R1.536 CNC(=O)NCCCC1CCCC1 512a_100000736752_100102657272 [1,0,0,1,0,0|2,0,0]=4 12775 B13R1.536 CNC(=O)NCCCC1CCCC1 512a_106832991638_100000736752 [1,0,0,1,0,0|2,0,0]=4 12776 B13R1.536 CNC(=O)OCCNC1CCCC1 34a_100000211070_200011997002 [1,0,0,1,0,0|2,0,0]=4 12777 B13R1.536 CNC(=O)OCCOC1CCCC1 34a_100000210269_200011997002 [1,0,0,1,0,0|2,0,0]=4 12778 B13R1.536 CNC(=O)OCCOC1CCCC1 7a_100000210269_200011997002 [1,0,0,1,0,0|2,0,0]=4 12779 B13R1.536 CNC(=O)OCCSC1CCCC1 62a_100011217020_200011997002 [1,0,0,1,0,0|2,0,0]=4 12780 B13R1.536 CNC(=O)OCCSC1CCCC1 62a_200011997002_100000179811 [1,0,0,1,0,0|2,0,0]=4 12781 B13R1.536 COC(=O)OCCOC1CCCC1 34a_100010262106_100000179811 [1,0,0,1,0,0|2,0,0]=4 12782 B13R1.536 COC(=O)OCSCC1CCCC1 62a_100000740388_100000139417 [1,0,0,1,0,0|2,0,0]=4 12783 B13R1.536 O=C(CO)NCCCC1CCCC1 240690a_100000736752_100000210174 [1,0,0,1,0,0|2,0,0]=4 12784 B13R1.536 O=C(CO)NCCCC1CCCC1 527a_100000736752_100000210174 [1,0,0,1,0,0|2,0,0]=4 12785 B13R1.538 CNC(=O)OCCOCC1CC1C 34a_100000744939_200011997002 [1,0,0,1,0,0|2,0,0]=4 12786 B13R1.538 CNC(=O)OCCOCC1CC1C 7a_100000744939_200011997002 [1,0,0,1,0,0|2,0,0]=4 12787 B13R1.539 CCC(=O)NCCNCC1CCC1 269862a_100132302217_100000753134 [1,0,0,1,0,0|2,0,0]=4 12788 B13R1.539 CCC(=O)NCCNCC1CCC1 34a_100132302217_100000763275 [1,0,0,1,0,0|2,0,0]=4 12789 B13R1.539 CCC(=O)NCCOCC1CCC1 34a_200000158885_100000763275 [1,0,0,1,0,0|2,0,0]=4 12790 B13R1.539 CCC(=O)NCCOCC1CCC1 7a_200000158885_100000763275 [1,0,0,1,0,0|2,0,0]=4 12791 B13R1.539 CCC(=O)OCCOCC1CCC1 7a_200000031056_100000763275 [1,0,0,1,0,0|1,0,0]=3 12792 B13R1.539 CCC(=O)OCCOCC1CCO1 7a_200000031056_100000103362 [1,0,0,1,0,0|2,0,0]=4 12793 B13R1.539 CCC(=O)OCCOCC1COC1 7a_200000031056_100010264016 [1,0,0,1,0,0|2,0,0]=4 12794 B13R1.539 CNC(=O)OCCNCC1CCC1 34a_100000738700_200011997002 [1,0,0,1,0,0|2,0,0]=4 12795 B13R1.539 CNC(=O)OCCOCC1CCC1 34a_100000760304_200011997002 [1,0,0,1,0,0|2,0,0]=4 12796 B13R1.539 CNC(=O)OCCSCC1CCC1 62a_100000763275_200011997002 [1,0,0,1,0,0|2,0,0]=4 12797 B13R1.539 CNC(=O)OCCSCC1CCC1 62a_200011997002_100000763275 [1,0,0,1,0,0|2,0,0]=4 12798 B13R1.539 COC(=O)OCCOCC1CCC1 34a_100010262106_100000763275 [1,0,0,1,0,0|2,0,0]=4 12799 B13R1.594 CCC(=O)NCCNCCC1CC1 34a_100132302217_100000694398 [1,0,0,1,0,0|2,0,0]=4 12800 B13R1.594 CCC(=O)NCCOCCC1CC1 34a_200000158885_100000694398 [1,0,0,1,0,0|2,0,0]=4 12801 B13R1.594 CCC(=O)NCCOCCC1CC1 7a_200000158885_100000764125 [1,0,0,1,0,0|2,0,0]=4 12802 B13R1.594 CCC(=O)OCCOCCC1CC1 7a_200000031056_100000764125 [1,0,0,1,0,0|1,0,0]=3 12803 B13R1.594 CCC(=O)OCCOCCC1CO1 7a_200000031056_100000732470 [1,0,0,1,0,0|2,0,0]=4 12804 B13R1.594 CNC(=O)OCCNCCC1CC1 34a_100000764129_200011997002 [1,0,0,1,0,0|2,0,0]=4 12805 B13R1.594 CNC(=O)OCCOCCC1CC1 34a_100000754188_200011997002 [1,0,0,1,0,0|2,0,0]=4 12806 B13R1.594 CNC(=O)OCCOCCC1CC1 7a_100000754188_200011997002 [1,0,0,1,0,0|2,0,0]=4 12807 B13R1.594 CNC(=O)OCCSCCC1CC1 62a_100000764125_200011997002 [1,0,0,1,0,0|2,0,0]=4 12808 B13R1.594 CNC(=O)OCCSCCC1CC1 62a_200011997002_100000764125 [1,0,0,1,0,0|2,0,0]=4 12809 B13R1.594 COC(=O)OCCOCCC1CC1 34a_100010262106_100000694398 [1,0,0,1,0,0|2,0,0]=4 12810 B13R1.599 CCC(=O)NCCC1CCCN1C 240690a_100011219722_100000210414 [1,0,0,1,0,0|2,0,0]=4 12811 B13R1.599 CCC(=O)NCCC1CCCN1C 527a_100011219722_100000210414 [1,0,0,1,0,0|2,0,0]=4 12812 B13R1.599 CNC(=O)OCCN1CCC[C@@H]1C 269982a_100020605311_200011997002 [1,0,0,1,0,0|2,0,0]=4 12813 B13R1.599 CNC(=O)OCCN1CCC[C@H]1C 269982a_100015189458_200011997002 [1,0,0,1,0,0|2,0,0]=4 12814 B13R1.599 CNC(=O)OCCN1CCC[C@H]1C 34a_100015189458_200011997002 [1,0,0,1,0,0|2,0,0]=4 12815 B13R1.613 CCC(=O)NCC1CCCN1CC 11a_100000211693_100000210414 [1,0,0,1,0,0|2,0,0]=4 12816 B13R1.613 CCC(=O)NCC1CCCN1CC 1626a_100000211693_100000210414 [1,0,0,1,0,0|2,0,0]=4 12817 B13R1.613 CCC(=O)NCC1CCCN1CC 240690a_100000211693_100000210414 [1,0,0,1,0,0|2,0,0]=4 12818 B13R1.613 CCC(=O)NCC1CCCN1CC 527a_100000211693_100000210414 [1,0,0,1,0,0|2,0,0]=4 12819 B13R1.718 CCC(=O)CCCC1CCCCC1 1458a_100000210414_100011713725 [1,0,0,1,0,0|1,0,0]=3 12820 B13R1.718 CCC(=O)CCCC1CCCCC1 1458a_100000211478_100000210202 [1,0,0,1,0,0|1,0,0]=3 12821 B13R1.718 CCC(=O)CCCN1CCCCC1 1458a_100000210414_100000690320 [1,0,0,1,0,0|2,0,0]=4 12822 B13R1.718 CCC(=O)CCCN1CCCCC1 1458a_100000742516_100000210202 [1,0,0,1,0,0|2,0,0]=4 12823 B13R1.718 CCC(=O)CCOC1CCCCC1 1458a_100000210414_100011211530 [1,0,0,1,0,0|2,0,0]=4 12824 B13R1.718 CCC(=O)COCC1CCCCC1 34a_100000725409_100000211423 [1,0,0,1,0,0|2,0,0]=4 12825 B13R1.718 CCC(=O)COCC1CCCCC1 7a_100000212181_100000747405 [1,0,0,1,0,0|2,0,0]=4 12826 B13R1.718 CCC(=O)CSCC1CCCCC1 62a_100000211423_100000747405 [1,0,0,1,0,0|2,0,0]=4 12827 B13R1.718 CCC(=O)CSCC1CCCCC1 62a_100000747405_100000211423 [1,0,0,1,0,0|2,0,0]=4 12828 B13R1.718 CCC(=O)NCCC1CCCCC1 11a_100000738074_100000210414 [1,0,0,1,0,0|1,0,0]=3 12829 B13R1.718 CCC(=O)NCCC1CCCCC1 1626a_100000738074_100000210414 [1,0,0,1,0,0|1,0,0]=3 12830 B13R1.718 CCC(=O)NCCC1CCCCC1 240690a_100000738074_100000210414 [1,0,0,1,0,0|1,0,0]=3 12831 B13R1.718 CCC(=O)NCCC1CCCCC1 527a_100000738074_100000210414 [1,0,0,1,0,0|1,0,0]=3 12832 B13R1.718 CCC(=O)NCCC1CCCCO1 11a_100015183643_100000210414 [1,0,0,1,0,0|2,0,0]=4 12833 B13R1.718 CCC(=O)NCCC1CCCCO1 1626a_100015183643_100000210414 [1,0,0,1,0,0|2,0,0]=4 12834 B13R1.718 CCC(=O)NCCC1CCCCO1 240690a_100015183643_100000210414 [1,0,0,1,0,0|2,0,0]=4 12835 B13R1.718 CCC(=O)NCCC1CCCCO1 527a_100015183643_100000210414 [1,0,0,1,0,0|2,0,0]=4 12836 B13R1.718 CCC(=O)NCCC1CCOCC1 11a_100000755988_100000210414 [1,0,0,1,0,0|2,0,0]=4 12837 B13R1.718 CCC(=O)NCCC1CCOCC1 1626a_100000755988_100000210414 [1,0,0,1,0,0|2,0,0]=4 12838 B13R1.718 CCC(=O)NCCC1CCOCC1 240690a_100000755988_100000210414 [1,0,0,1,0,0|2,0,0]=4 12839 B13R1.718 CCC(=O)NCCC1CCOCC1 527a_100000755988_100000210414 [1,0,0,1,0,0|2,0,0]=4 12840 B13R1.718 CCC(=O)NCCN1CCCCC1 240690a_100000216509_100000210414 [1,0,0,1,0,0|2,0,0]=4 12841 B13R1.718 CCC(=O)NCCN1CCCCC1 527a_100000216509_100000210414 [1,0,0,1,0,0|2,0,0]=4 12842 B13R1.718 CCC(=O)NNCC1CCCCC1 22a_100000740227_100000210414 [1,0,0,1,0,0|2,0,0]=4 12843 B13R1.718 CCC(C)OCCC1CCCCC1 34a_100011217863_100011215416 [1,0,0,1,0,0|1,0,1]=4 12844 B13R1.718 CCC(C)OCCC1CCCCC1 7a_100000210228_100011273959 [1,0,0,1,0,0|1,0,1]=4 12845 B13R1.718 CCC(C)OCCC1CCCCC1 7a_100011217863_100000758301 [1,0,0,1,0,0|1,0,1]=4 12846 B13R1.718 CNC(=O)CCCC1CCCCC1 11a_106832991635_100000211478 [1,0,0,1,0,0|2,0,0]=4 12847 B13R1.718 CNC(=O)CCCC1CCCCC1 1626a_100102657272_100000211478 [1,0,0,1,0,0|2,0,0]=4 12848 B13R1.718 CNC(=O)CCCC1CCCCC1 240690a_100102657272_100000211478 [1,0,0,1,0,0|2,0,0]=4 12849 B13R1.718 CNC(=O)CCCC1CCCCC1 527a_100102657272_100000211478 [1,0,0,1,0,0|2,0,0]=4 12850 B13R1.718 CNC(=O)NCCC1CCCCC1 2708a_100000738074_106832991635 [1,0,0,1,0,0|2,0,0]=4 12851 B13R1.718 CNC(=O)NCCC1CCCCC1 2708a_100102657272_100000738074 [1,0,0,1,0,0|2,0,0]=4 12852 B13R1.718 CNC(=O)NCCC1CCCCC1 273464a_100000738074_100102657272 [1,0,0,1,0,0|2,0,0]=4 12853 B13R1.718 CNC(=O)NCCC1CCCCC1 273464a_100102657272_100000738074 [1,0,0,1,0,0|2,0,0]=4 12854 B13R1.718 CNC(=O)NCCC1CCCCC1 512a_100000738074_100102657272 [1,0,0,1,0,0|2,0,0]=4 12855 B13R1.718 CNC(=O)NCCC1CCCCC1 512a_106832991638_100000738074 [1,0,0,1,0,0|2,0,0]=4 12856 B13R1.718 COC(=O)OCSC1CCCCC1 62a_100000210327_100000139417 [1,0,0,1,0,0|2,0,0]=4 12857 B13R1.718 O=C(CF)CCCC1CCCCC1 1458a_100000211478_100015361967 [1,0,0,1,0,0|2,0,0]=4 12858 B13R1.718 O=C(CO)CCCC1CCCCC1 1458a_100000210174_100011713725 [1,0,0,1,0,0|2,0,0]=4 12859 B13R1.718 O=C(CO)NCCC1CCCCC1 240690a_100000738074_100000210174 [1,0,0,1,0,0|2,0,0]=4 12860 B13R1.718 O=C(CO)NCCC1CCCCC1 527a_100000738074_100000210174 [1,0,0,1,0,0|2,0,0]=4 12861 B13R1.1689 CCC(=O)N1CCCCCCCC1 11a_100000039187_100000210414 [1,0,0,1,0,0|1,0,0]=3 12862 B13R1.1689 CCC(=O)N1CCCCCCCC1 1626a_100000039187_100000210414 [1,0,0,1,0,0|1,0,0]=3 12863 B13R1.1689 CCC(=O)N1CCCCCCCC1 240690a_100000039187_100000210414 [1,0,0,1,0,0|1,0,0]=3 12864 B13R1.1689 CCC(=O)N1CCCCCCCC1 527a_100000039187_100000210414 [1,0,0,1,0,0|1,0,0]=3 12865 B13R1.1689 CNC(=O)N1CCCCCCCC1 2708a_100102657272_100000039187 [1,0,0,1,0,0|2,0,0]=4 12866 B13R1.1689 CNC(=O)N1CCCCCCCC1 273464a_100102657272_100000039187 [1,0,0,1,0,0|2,0,0]=4 12867 B13R1.1689 O=C(CO)N1CCCCCCCC1 240690a_100000039187_100000210174 [1,0,0,1,0,0|2,0,0]=4 12868 B13R1.1689 O=C(CO)N1CCCCCCCC1 527a_100000039187_100000210174 [1,0,0,1,0,0|2,0,0]=4 12869 B13R1.1711 CCC(=O)CCN1CCCCCC1 1458a_100000210414_100000722644 [1,0,0,1,0,0|2,0,0]=4 12870 B13R1.1711 CCC(=O)CCN1CCCCCC1 1458a_100000740320_100000210202 [1,0,0,1,0,0|2,0,0]=4 12871 B13R1.1711 CCC(=O)COC1CCCCCC1 34a_100000725409_100011217769 [1,0,0,1,0,0|2,0,0]=4 12872 B13R1.1711 CCC(=O)COC1CCCCCC1 7a_100000210887_100000747405 [1,0,0,1,0,0|2,0,0]=4 12873 B13R1.1711 CCC(=O)CSC1CCCCCC1 62a_100000747405_100011217769 [1,0,0,1,0,0|2,0,0]=4 12874 B13R1.1711 CCC(=O)CSC1CCCCCC1 62a_100011217769_100000747405 [1,0,0,1,0,0|2,0,0]=4 12875 B13R1.1711 CCC(=O)NCC1CCCCCC1 11a_100015204231_100000210414 [1,0,0,1,0,0|1,0,0]=3 12876 B13R1.1711 CCC(=O)NCC1CCCCCC1 1626a_100015204231_100000210414 [1,0,0,1,0,0|1,0,0]=3 12877 B13R1.1711 CCC(=O)NCC1CCCCCC1 240690a_100015204231_100000210414 [1,0,0,1,0,0|1,0,0]=3 12878 B13R1.1711 CCC(=O)NCC1CCCCCC1 527a_100015204231_100000210414 [1,0,0,1,0,0|1,0,0]=3 12879 B13R1.1711 CCC(C)OCC1CCCCCC1 34a_100000699130_100011215416 [1,0,0,1,0,0|1,0,1]=4 12880 B13R1.1711 CCC(C)OCC1CCCCCC1 7a_100000210228_200000696569 [1,0,0,1,0,0|1,0,1]=4 12881 B13R1.1711 CCC(C)OCC1CCCCCC1 7a_100000699130_100000758301 [1,0,0,1,0,0|1,0,1]=4 12882 B13R1.1711 CNC(=O)NCC1CCCCCC1 2708a_100015204231_106832991635 [1,0,0,1,0,0|2,0,0]=4 12883 B13R1.1711 CNC(=O)NCC1CCCCCC1 2708a_100102657272_100015204231 [1,0,0,1,0,0|2,0,0]=4 12884 B13R1.1711 CNC(=O)NCC1CCCCCC1 273464a_100015204231_100102657272 [1,0,0,1,0,0|2,0,0]=4 12885 B13R1.1711 CNC(=O)NCC1CCCCCC1 273464a_100102657272_100015204231 [1,0,0,1,0,0|2,0,0]=4 12886 B13R1.1711 CNC(=O)NCC1CCCCCC1 512a_106832991638_100015204231 [1,0,0,1,0,0|2,0,0]=4 12887 B13R1.1711 O=C(CO)NCC1CCCCCC1 240690a_100015204231_100000210174 [1,0,0,1,0,0|2,0,0]=4 12888 B13R1.1711 O=C(CO)NCC1CCCCCC1 527a_100015204231_100000210174 [1,0,0,1,0,0|2,0,0]=4 12889 B13R1.1870 CCC(=O)CN1CCCCCCC1 269982a_100000211400_100000747405 [1,0,0,1,0,0|2,0,0]=4 12890 B13R1.1870 CCC(=O)NC1CCCCCCC1 11a_100000211152_100000210414 [1,0,0,1,0,0|1,0,0]=3 12891 B13R1.1870 CCC(=O)NC1CCCCCCC1 1626a_100000211152_100000210414 [1,0,0,1,0,0|1,0,0]=3 12892 B13R1.1870 CCC(=O)NC1CCCCCCC1 240690a_100000211152_100000210414 [1,0,0,1,0,0|1,0,0]=3 12893 B13R1.1870 CCC(=O)NC1CCCCCCC1 527a_100000211152_100000210414 [1,0,0,1,0,0|1,0,0]=3 12894 B13R1.1870 CCC(C)OC1CCCCCCC1 34a_100000210054_100011215416 [1,0,0,1,0,0|1,0,1]=4 12895 B13R1.1870 CCC(C)OC1CCCCCCC1 7a_100000210054_100000758301 [1,0,0,1,0,0|1,0,1]=4 12896 B13R1.1870 CNC(=O)NC1CCCCCCC1 2708a_100000211152_106832991635 [1,0,0,1,0,0|2,0,0]=4 12897 B13R1.1870 CNC(=O)NC1CCCCCCC1 2708a_100102657272_100000211152 [1,0,0,1,0,0|2,0,0]=4 12898 B13R1.1870 CNC(=O)NC1CCCCCCC1 273464a_100000211152_100102657272 [1,0,0,1,0,0|2,0,0]=4 12899 B13R1.1870 CNC(=O)NC1CCCCCCC1 273464a_100102657272_100000211152 [1,0,0,1,0,0|2,0,0]=4 12900 B13R1.1870 CNC(=O)NC1CCCCCCC1 512a_100000211152_100102657272 [1,0,0,1,0,0|2,0,0]=4 12901 B13R1.1870 CNC(=O)NC1CCCCCCC1 512a_106832991638_100000211152 [1,0,0,1,0,0|2,0,0]=4 12902 B13R1.1870 O=C(CO)NC1CCCCCCC1 240690a_100000211152_100000210174 [1,0,0,1,0,0|2,0,0]=4 12903 B13R1.1870 O=C(CO)NC1CCCCCCC1 527a_100000211152_100000210174 [1,0,0,1,0,0|2,0,0]=4 12904 B13R1.2938 CCCCCCCCOC1(CC1)C 7a_100011725673_100000210759 [1,0,0,1,0,0|1,0,1]=4 12905 B15R1.292 CCCC(=O)OCNC1CC(C1)COC 2230a_100012180050_100000034017 [0,1,0,1,0,0|2,0,0]=4 12906 B15R1.633 CCCC(=O)CNCC1CCCC(C1)O 2230a_100011254705_100000747444 [0,1,0,1,0,0|2,0,0]=4 12907 B15R1.633 CCCC(=O)NCCC1CCCN(C1)C 240690a_100011919708_100000211992 [0,1,0,1,0,0|2,0,0]=4 12908 B15R1.633 CCCC(=O)NCCN1CCCC(C1)C 240690a_100000739826_100000211992 [0,1,0,1,0,0|2,0,0]=4 12909 B15R1.633 CCCC(=O)NCCN1CCCC(C1)C 527a_100000739826_100000211992 [0,1,0,1,0,0|2,0,0]=4 12910 B15R1.633 CCCC(=O)OCNC1CCCC(C1)C 2230a_100011194320_100000034017 [0,1,0,1,0,0|1,0,0]=3 12911 B15R1.633 CCCC(=O)OCNC1CCCC(C1)C 34a_100011194320_100000034017 [0,1,0,1,0,0|1,0,0]=3 12912 B15R1.633 CCCC(=O)OCNC1CCCC(C1)O 2230a_100015190357_100000034017 [0,1,0,1,0,0|1,0,0]=3 12913 B15R1.633 CCCC(=O)OCOC1C=C(CCC1)C 34a_100011218613_100000034017 [0,1,0,1,0,0|1,0,1]=4 12914 B15R1.633 CCCC(=O)OCOC1CCCC(=O)C1 34a_100012613340_100000034017 [0,1,0,1,0,0|1,0,1]=4 12915 B15R1.633 CCCC(=O)OCOC1CCCC(C1)C 34a_100000211399_100000034017 [0,1,0,1,0,0|1,0,0]=3 12916 B15R1.633 CCCC(=O)OCOC1CCOC(C1)C 34a_100011986385_100000034017 [0,1,0,1,0,0|2,0,0]=4 12917 B15R1.633 CCCC(C)COCC1CCCC(=O)N1 34a_200000102386_100011216630 [0,1,0,1,0,0|2,0,0]=4 12918 B15R1.791 CCCC(=O)COC1CCC(CC1C)C 7a_100011539931_100000747444 [0,1,0,1,0,0|2,0,0]=4 12919 B15R1.791 CCCC(=O)OCN1CCN(C[C@@H]1C)C 2230a_100012002466_100000034017 [0,1,0,1,0,0|2,0,0]=4 12920 B15R1.791 CCCC(=O)OCN1CCN(C[C@@H]1C)C 269982a_100012002466_100000034017 [0,1,0,1,0,0|2,0,0]=4 12921 B15R1.795 CCCC(=O)CNCCCC1CCCC1 2230a_100000736752_100000747444 [0,1,0,1,0,0|1,0,0]=3 12922 B15R1.795 CCCC(=O)COCCCC1CCCC1 7a_100011215328_100000747444 [0,1,0,1,0,0|0,0,0]=2 12923 B15R1.795 CCCC(=O)COCCCC1OCCO1 7a_100009871617_100000747444 [0,1,0,1,0,0|2,0,0]=4 12924 B15R1.795 CCCC(=O)COCCOC1CCCC1 7a_100000738311_100000747444 [0,1,0,1,0,0|1,0,0]=3 12925 B15R1.795 CCCC(=O)CSCCCC1CCCC1 62a_100000747444_100011713738 [0,1,0,1,0,0|0,1,0]=3 12926 B15R1.795 CCCC(=O)CSCCCC1CCCC1 62a_100011713738_100000747444 [0,1,0,1,0,0|0,1,0]=3 12927 B15R1.795 CCCC(=O)CSCCCN1CCCC1 62a_100000747444_100011445909 [0,1,0,1,0,0|1,1,0]=4 12928 B15R1.795 CCCC(=O)CSCCCN1CCCC1 62a_100016991639_100000747444 [0,1,0,1,0,0|1,1,0]=4 12929 B15R1.795 CCCC(=O)NCCCCN1CCCC1 1626a_100000740493_100000211992 [0,1,0,1,0,0|1,0,0]=3 12930 B15R1.795 CCCC(=O)NCCCCN1CCCC1 240690a_100000740493_100000211992 [0,1,0,1,0,0|1,0,0]=3 12931 B15R1.795 CCCC(=O)NCCCOC1CCCC1 11a_100000747560_100000211992 [0,1,0,1,0,0|1,0,0]=3 12932 B15R1.795 CCCC(=O)NCCCOC1CCCC1 1626a_100000747560_100000211992 [0,1,0,1,0,0|1,0,0]=3 12933 B15R1.795 CCCC(=O)NCCCOC1CCCC1 240690a_100000747560_100000211992 [0,1,0,1,0,0|1,0,0]=3 12934 B15R1.795 CCCC(=O)NCCCOC1CCCC1 527a_100000747560_100000211992 [0,1,0,1,0,0|1,0,0]=3 12935 B15R1.795 CCCC(=O)NN=CCCC1CCCC1 4a_100000189770_100011713431 [0,1,0,1,0,0|1,0,1]=4 12936 B15R1.795 CCCC(=O)OCNCCC1CCCC1 2230a_100000739158_100000034017 [0,1,0,1,0,0|0,0,0]=2 12937 B15R1.795 CCCC(=O)OCNCCC1CCCC1 34a_100000739158_100000034017 [0,1,0,1,0,0|0,0,0]=2 12938 B15R1.795 CCCC(=O)OCNCCC1OCCO1 2230a_100000034215_100000034017 [0,1,0,1,0,0|2,0,0]=4 12939 B15R1.795 CCCC(=O)OCNCCC1OCCO1 34a_100000034215_100000034017 [0,1,0,1,0,0|2,0,0]=4 12940 B15R1.795 CCCC(=O)OCOCCC1CCCC1 34a_100000749090_100000034017 [0,1,0,1,0,0|0,0,0]=2 12941 B15R1.795 CCCC(=O)OCOCCC1CCNC1 34a_100016987287_100000034017 [0,1,0,1,0,0|1,0,0]=3 12942 B15R1.795 CCCC(=O)OCOCCC1CCOC1 34a_100011879284_100000034017 [0,1,0,1,0,0|1,0,0]=3 12943 B15R1.795 CCCC(=O)OCSCCC1CCCC1 62a_100000760354_100000034017 [0,1,0,1,0,0|0,0,0]=2 12944 B15R1.795 CCCC(=O)OCSCCN1CCCC1 62a_100000700749_100000034017 [0,1,0,1,0,0|1,0,0]=3 12945 B15R1.795 CCCC(C)COCCCC1CCCC1 34a_100000688023_100011713738 [0,1,0,1,0,0|1,0,1]=4 12946 B15R1.795 CCCC(C)COCCCC1CCCC1 34a_100011215328_100011216630 [0,1,0,1,0,0|1,0,1]=4 12947 B15R1.795 CCCC(C)COCCCC1CCCC1 7a_100000688023_100011713738 [0,1,0,1,0,0|1,0,1]=4 12948 B15R1.795 CCCC(C)COCCCC1CCCC1 7a_100011215328_100011216630 [0,1,0,1,0,0|1,0,1]=4 12949 B15R1.795 CCC[C@H](N)COCCCC1CCCC1 34a_100000732646_100011713738 [0,1,0,1,0,0|1,0,1]=4 12950 B15R1.795 CCNC(=O)CCNCCC1CCCC1 2230a_100000739158_100000737597 [0,1,0,1,0,0|2,0,0]=4 12951 B15R1.795 CCNC(=O)CCNCCC1CCCC1 34a_100025743525_100000760354 [0,1,0,1,0,0|2,0,0]=4 12952 B15R1.795 CCNC(=O)CCOCCC1CCCC1 7a_100000749090_100000737597 [0,1,0,1,0,0|2,0,0]=4 12953 B15R1.795 CCNC(=O)CCSCCC1CCCC1 62a_100000737597_100000760354 [0,1,0,1,0,0|2,0,0]=4 12954 B15R1.795 CCNC(=O)CCSCCC1CCCC1 62a_100000760354_100000737597 [0,1,0,1,0,0|2,0,0]=4 12955 B15R1.795 CCNC(=O)CNCCCC1CCCC1 2230a_100000736752_100000183381 [0,1,0,1,0,0|2,0,0]=4 12956 B15R1.795 CCNC(=O)CNCCCC1CCCC1 2230a_100016988866_100011713738 [0,1,0,1,0,0|2,0,0]=4 12957 B15R1.795 CCNC(=O)CNCCCC1CCCC1 34a_100000736752_100000183381 [0,1,0,1,0,0|2,0,0]=4 12958 B15R1.795 CCNC(=O)COCCCC1CCCC1 34a_100011215328_100000183381 [0,1,0,1,0,0|1,0,0]=3 12959 B15R1.795 CCNC(=O)COCCCC1CCCC1 7a_100011215328_100000183381 [0,1,0,1,0,0|1,0,0]=3 12960 B15R1.795 CCNC(=O)COCCNC1CCCC1 34a_200000200444_100000183381 [0,1,0,1,0,0|2,0,0]=4 12961 B15R1.795 CCNC(=O)COCCOC1CCCC1 34a_100000738311_100000183381 [0,1,0,1,0,0|2,0,0]=4 12962 B15R1.795 CCNC(=O)COCCOC1CCCC1 7a_100000738311_100000183381 [0,1,0,1,0,0|2,0,0]=4 12963 B15R1.795 CCNC(=O)CSCCCC1CCCC1 62a_100000183381_100011713738 [0,1,0,1,0,0|1,1,0]=4 12964 B15R1.795 CCNC(=O)CSCCCC1CCCC1 62a_100011713738_100000183381 [0,1,0,1,0,0|1,1,0]=4 12965 B15R1.795 CCNC(=O)NCCCCN1CCCC1 2708a_100000740493_100015525214 [0,1,0,1,0,0|2,0,0]=4 12966 B15R1.795 CCNC(=O)NCCCCN1CCCC1 2708a_100015525214_100000740493 [0,1,0,1,0,0|2,0,0]=4 12967 B15R1.795 CCNC(=O)NCCCCN1CCCC1 273464a_100000740493_100015525214 [0,1,0,1,0,0|2,0,0]=4 12968 B15R1.795 CCNC(=O)NCCCCN1CCCC1 273464a_100015525214_100000740493 [0,1,0,1,0,0|2,0,0]=4 12969 B15R1.795 CCNC(=O)NCCCCN1CCCC1 512a_100000740493_100015525214 [0,1,0,1,0,0|2,0,0]=4 12970 B15R1.795 CCNC(=O)NCCCCN1CCCC1 512a_100015525214_100000740493 [0,1,0,1,0,0|2,0,0]=4 12971 B15R1.795 CCNC(=O)NCCCOC1CCCC1 2708a_100000747560_100015525214 [0,1,0,1,0,0|2,0,0]=4 12972 B15R1.795 CCNC(=O)NCCCOC1CCCC1 2708a_100015525214_100000747560 [0,1,0,1,0,0|2,0,0]=4 12973 B15R1.795 CCNC(=O)NCCCOC1CCCC1 273464a_100000747560_100015525214 [0,1,0,1,0,0|2,0,0]=4 12974 B15R1.795 CCNC(=O)NCCCOC1CCCC1 273464a_100015525214_100000747560 [0,1,0,1,0,0|2,0,0]=4 12975 B15R1.795 CCNC(=O)NCCCOC1CCCC1 512a_100000747560_100015525214 [0,1,0,1,0,0|2,0,0]=4 12976 B15R1.795 CCNC(=O)NCCCOC1CCCC1 512a_100015525214_100000747560 [0,1,0,1,0,0|2,0,0]=4 12977 B15R1.795 CCOC(=O)CCCCCN1CCCC1 2230a_100000188435_100000755133 [0,1,0,1,0,0|2,0,0]=4 12978 B15R1.795 CCOC(=O)CCCCCN1CCCC1 269982a_100000188435_100000755133 [0,1,0,1,0,0|2,0,0]=4 12979 B15R1.795 CCOC(=O)CCCCNC1CCCC1 2230a_100000211070_100000750268 [0,1,0,1,0,0|2,0,0]=4 12980 B15R1.795 CCOC(=O)CCCCNC1CCCC1 34a_100000211070_100000750268 [0,1,0,1,0,0|2,0,0]=4 12981 B15R1.795 CCOC(=O)CCCCOC1CCCC1 34a_100000210269_100000750268 [0,1,0,1,0,0|2,0,0]=4 12982 B15R1.795 CCOC(=O)CCCCOC1CCCC1 7a_100000210269_100000750268 [0,1,0,1,0,0|2,0,0]=4 12983 B15R1.795 CCOC(=O)CCCCSC1CCCC1 62a_100000750268_100000179811 [0,1,0,1,0,0|2,0,0]=4 12984 B15R1.795 CCOC(=O)CCCCSC1CCCC1 62a_100011217020_100000750268 [0,1,0,1,0,0|2,0,0]=4 12985 B15R1.795 CCOC(=O)CCCNCC1CCCC1 2230a_100000737975_100009991533 [0,1,0,1,0,0|2,0,0]=4 12986 B15R1.795 CCOC(=O)CCCNCC1CCCC1 34a_100000737975_100009991533 [0,1,0,1,0,0|2,0,0]=4 12987 B15R1.795 CCOC(=O)CCCOCC1CCCC1 34a_100000742336_100009991533 [0,1,0,1,0,0|2,0,0]=4 12988 B15R1.795 CCOC(=O)CCCOCC1CCCC1 7a_100000742336_100011215271 [0,1,0,1,0,0|2,0,0]=4 12989 B15R1.795 CCOC(=O)CCCOCC1CCCC1 7a_100012001163_100000740388 [0,1,0,1,0,0|2,0,0]=4 12990 B15R1.795 CCOC(=O)CCCSCC1CCCC1 62a_100000740388_100009991533 [0,1,0,1,0,0|2,0,0]=4 12991 B15R1.795 CCOC(=O)CCCSCC1CCCC1 62a_100009991533_100000740388 [0,1,0,1,0,0|2,0,0]=4 12992 B15R1.795 CCOC(=O)CCNCCC1CCCC1 2230a_100000739158_100011206558 [0,1,0,1,0,0|2,0,0]=4 12993 B15R1.795 CCOC(=O)CCNCCC1CCCC1 34a_100000739158_100000765890 [0,1,0,1,0,0|2,0,0]=4 12994 B15R1.795 CCOC(=O)CCOCCC1CCCC1 34a_100000749090_100000765890 [0,1,0,1,0,0|2,0,0]=4 12995 B15R1.795 CCOC(=O)CCOCCC1CCCC1 7a_100000749090_100011206558 [0,1,0,1,0,0|2,0,0]=4 12996 B15R1.795 CCOC(=O)CCSCCC1CCCC1 62a_100000760354_100000765890 [0,1,0,1,0,0|2,0,0]=4 12997 B15R1.795 CCOC(=O)CCSCCC1CCCC1 62a_100000765890_100000760354 [0,1,0,1,0,0|2,0,0]=4 12998 B15R1.795 CCOC(=O)CNCCCC1CCCC1 2230a_100000736752_100000188475 [0,1,0,1,0,0|2,0,0]=4 12999 B15R1.795 CCOC(=O)CNCCCC1CCCC1 34a_100000736752_100000188475 [0,1,0,1,0,0|2,0,0]=4 13000 B15R1.795 CCOC(=O)COCCCC1CCCC1 34a_100011215328_100000188475 [0,1,0,1,0,0|1,0,0]=3 13001 B15R1.795 CCOC(=O)COCCCC1CCCC1 7a_100011215328_100000188475 [0,1,0,1,0,0|1,0,0]=3 13002 B15R1.795 CCOC(=O)COCCCN1CCCC1 2230a_100000188435_100009893628 [0,1,0,1,0,0|2,0,0]=4 13003 B15R1.795 CCOC(=O)COCCCN1CCCC1 269982a_100000188435_100009893628 [0,1,0,1,0,0|2,0,0]=4 13004 B15R1.795 CCOC(=O)COCCNC1CCCC1 2230a_100000211070_100000088970 [0,1,0,1,0,0|2,0,0]=4 13005 B15R1.795 CCOC(=O)COCCNC1CCCC1 34a_100000211070_100000088970 [0,1,0,1,0,0|2,0,0]=4 13006 B15R1.795 CCOC(=O)COCCNC1CCCC1 34a_200000200444_100000188475 [0,1,0,1,0,0|2,0,0]=4 13007 B15R1.795 CCOC(=O)COCCOC1CCCC1 34a_100000210269_100000088970 [0,1,0,1,0,0|2,0,0]=4 13008 B15R1.795 CCOC(=O)COCCOC1CCCC1 34a_100000738311_100000188475 [0,1,0,1,0,0|2,0,0]=4 13009 B15R1.795 CCOC(=O)COCCOC1CCCC1 7a_100000210269_100000088970 [0,1,0,1,0,0|2,0,0]=4 13010 B15R1.795 CCOC(=O)COCCOC1CCCC1 7a_100000738311_100000188475 [0,1,0,1,0,0|2,0,0]=4 13011 B15R1.795 CCOC(=O)COCCSC1CCCC1 62a_100000088970_100000179811 [0,1,0,1,0,0|2,0,0]=4 13012 B15R1.795 CCOC(=O)COCCSC1CCCC1 62a_100011217020_100000088970 [0,1,0,1,0,0|2,0,0]=4 13013 B15R1.795 CCOC(=O)CSCCCC1CCCC1 62a_100000188475_100011713738 [0,1,0,1,0,0|1,1,0]=4 13014 B15R1.795 CCOC(=O)CSCCCC1CCCC1 62a_100011713738_100000188475 [0,1,0,1,0,0|1,1,0]=4 13015 B15R1.795 CCOC(=O)NCCOCC1CCCC1 34a_100000158857_100000740388 [0,1,0,1,0,0|2,0,0]=4 13016 B15R1.795 CCOC(=O)NCCOCC1CCCC1 7a_100000742336_200011445536 [0,1,0,1,0,0|2,0,0]=4 13017 B15R1.795 CCOC(=O)NCCSCC1CCCC1 62a_100000740388_200011445536 [0,1,0,1,0,0|2,0,0]=4 13018 B15R1.795 CCOC(=O)OCSCCC1CCCC1 62a_100000760354_100000075025 [0,1,0,1,0,0|1,0,0]=3 13019 B15R1.795 CCOC(=O)OCSCCN1CCCC1 62a_100000700749_100000075025 [0,1,0,1,0,0|2,0,0]=4 13020 B15R1.795 COCC(=O)NCCCCN1CCCC1 1626a_100000740493_100000210968 [0,1,0,1,0,0|2,0,0]=4 13021 B15R1.795 COCC(=O)NCCCCN1CCCC1 240690a_100000740493_100000210968 [0,1,0,1,0,0|2,0,0]=4 13022 B15R1.795 COCC(=O)NCCCOC1CCCC1 11a_100000747560_100000210968 [0,1,0,1,0,0|2,0,0]=4 13023 B15R1.795 COCC(=O)NCCCOC1CCCC1 1626a_100000747560_100000210968 [0,1,0,1,0,0|2,0,0]=4 13024 B15R1.795 COCC(=O)NCCCOC1CCCC1 240690a_100000747560_100000210968 [0,1,0,1,0,0|2,0,0]=4 13025 B15R1.795 COCC(=O)NCCCOC1CCCC1 527a_100000747560_100000210968 [0,1,0,1,0,0|2,0,0]=4 13026 B15R1.795 CSCC(=O)NCCCCN1CCCC1 1626a_100000740493_100000184570 [0,1,0,1,0,0|2,0,0]=4 13027 B15R1.795 CSCC(=O)NCCCCN1CCCC1 240690a_100000740493_100000184570 [0,1,0,1,0,0|2,0,0]=4 13028 B15R1.795 CSCC(=O)NCCCOC1CCCC1 11a_100000747560_100000184570 [0,1,0,1,0,0|2,0,0]=4 13029 B15R1.795 CSCC(=O)NCCCOC1CCCC1 1626a_100000747560_100000184570 [0,1,0,1,0,0|2,0,0]=4 13030 B15R1.795 CSCC(=O)NCCCOC1CCCC1 240690a_100000747560_100000184570 [0,1,0,1,0,0|2,0,0]=4 13031 B15R1.795 CSCC(=O)NCCCOC1CCCC1 527a_100000747560_100000184570 [0,1,0,1,0,0|2,0,0]=4 13032 B15R1.795 O=C(CCO)NCCCCN1CCCC1 240690a_100000740493_100011216618 [0,1,0,1,0,0|2,0,0]=4 13033 B15R1.795 O=C(CCO)NCCCOC1CCCC1 240690a_100000747560_100011216618 [0,1,0,1,0,0|2,0,0]=4 13034 B15R1.795 O=C(COCCCC1CCCC1)NCO 34a_100011215328_100000185155 [0,1,0,1,0,0|2,0,0]=4 13035 B15R1.795 O=C(COCCCC1CCCC1)NCO 7a_100011215328_100000185155 [0,1,0,1,0,0|2,0,0]=4 13036 B15R1.2546 CCCC(C)CN1CCNC(=O)C1CC 2230a_100000187962_100011216630 [0,1,0,1,0,0|2,0,0]=4 13037 B15R1.2546 CCCC(C)CN1CCNC(=O)C1CC 269982a_100000187962_100011216630 [0,1,0,1,0,0|2,0,0]=4 13038 B15R1.2546 CCCC(C)CN1CCNC(=O)C1CC 270004a_100000187962_100000243154 [0,1,0,1,0,0|2,0,0]=4 13039 B15R1.2546 CCCC(C)CN1CCNC(=O)C1CC 34a_100000187962_100011216630 [0,1,0,1,0,0|2,0,0]=4 13040 B15R1.3857 CCCC(=O)COCCC1CCCN1C 7a_100011215177_100000747444 [0,1,0,1,0,0|1,0,0]=3 13041 B15R1.3857 CCCC(=O)CSCCC1CCCN1C 62a_100000005710_100000747444 [0,1,0,1,0,0|1,1,0]=4 13042 B15R1.3857 CCCC(=O)CSCCC1CCCN1C 62a_100000747444_100000005710 [0,1,0,1,0,0|1,1,0]=4 13043 B15R1.3857 CCCC(=O)OCOCC1CCCN1C 34a_100000743107_100000034017 [0,1,0,1,0,0|1,0,0]=3 13044 B15R1.3857 CCCC(C)CCCOC1CCCC1=O 34a_100011713154_100000709159 [0,1,0,1,0,0|2,0,0]=4 13045 B15R1.3857 CCCC(C)CCCOC1CCCC1=O 7a_100011713154_100000211823 [0,1,0,1,0,0|2,0,0]=4 13046 B15R1.3857 CCCC(C)CNCCN1CCCC1=O 2230a_100011200922_100011216630 [0,1,0,1,0,0|2,0,0]=4 13047 B15R1.3857 CCCC(C)CNCCN1CCCC1=O 270004a_100011200922_100000243154 [0,1,0,1,0,0|2,0,0]=4 13048 B15R1.3857 CCCC(C)COCCN1CCCC1=O 34a_100000211209_100011216630 [0,1,0,1,0,0|2,0,0]=4 13049 B15R1.3857 CCCC(C)COCCN1CCCC1=O 34a_100000688023_100000739059 [0,1,0,1,0,0|2,0,0]=4 13050 B15R1.3857 CCCC(C)COCCN1CCCC1=O 7a_100000211209_100011216630 [0,1,0,1,0,0|2,0,0]=4 13051 B15R1.3857 CCCC(C)COCCN1CCCC1=O 7a_100000688023_100000739059 [0,1,0,1,0,0|2,0,0]=4 13052 B15R1.3857 CCCC(C)CSCCN1CCCC1=O 62a_100000739059_100011216630 [0,1,0,1,0,0|2,0,0]=4 13053 B15R1.3857 CCCC(C)CSCCN1CCCC1=O 62a_100011216630_100000739059 [0,1,0,1,0,0|2,0,0]=4 13054 B15R1.3857 CCCC(C)NCCCN1CCCC1=O 2230a_100000210347_100000766640 [0,1,0,1,0,0|2,0,0]=4 13055 B15R1.3857 CCCC(C)NCCCN1CCCC1=O 270004a_100000210347_100000211909 [0,1,0,1,0,0|2,0,0]=4 13056 B15R1.3857 CCCC(C)NCCCN1CCCC1=O 34a_100000210347_100000766640 [0,1,0,1,0,0|2,0,0]=4 13057 B15R1.3857 CCCC(C)OCCCN1CCCC1=O 34a_100011216539_100000766640 [0,1,0,1,0,0|2,0,0]=4 13058 B15R1.3857 CCCC(C)OCCCN1CCCC1=O 7a_100011216539_100000766640 [0,1,0,1,0,0|2,0,0]=4 13059 B15R1.3857 CCC[C@H](N)COCCN1CCCC1=O 34a_100000732646_100000739059 [0,1,0,1,0,0|2,0,0]=4 13060 B15R1.3857 CCNC(=O)COCCC1CCCN1C 34a_100011215177_100000183381 [0,1,0,1,0,0|2,0,0]=4 13061 B15R1.3857 CCNC(=O)COCCC1CCCN1C 7a_100011215177_100000183381 [0,1,0,1,0,0|2,0,0]=4 13062 B15R1.3857 CCOC(=O)CCCCN1CCC[C@@H]1C 2230a_100020605311_100000750268 [0,1,0,1,0,0|2,0,0]=4 13063 B15R1.3857 CCOC(=O)CCCCN1CCC[C@@H]1C 269982a_100020605311_100000750268 [0,1,0,1,0,0|2,0,0]=4 13064 B15R1.3857 CCOC(=O)CCCCN1CCC[C@H]1C 2230a_100015189458_100000750268 [0,1,0,1,0,0|2,0,0]=4 13065 B15R1.3857 CCOC(=O)CCCCN1CCC[C@H]1C 269982a_100015189458_100000750268 [0,1,0,1,0,0|2,0,0]=4 13066 B15R1.3857 CCOC(=O)CCCCN1CCC[C@H]1C 34a_100015189458_100000750268 [0,1,0,1,0,0|2,0,0]=4 13067 B15R1.3857 CCOC(=O)CCCOC1CCCC1C 34a_100011216460_100009991533 [0,1,0,1,0,0|2,0,0]=4 13068 B15R1.3857 CCOC(=O)CCCOC1CCCC1C 7a_100011216460_100011215271 [0,1,0,1,0,0|2,0,0]=4 13069 B15R1.3857 CCOC(=O)COCCC1CCCN1C 34a_100011215177_100000188475 [0,1,0,1,0,0|2,0,0]=4 13070 B15R1.3857 CCOC(=O)COCCC1CCCN1C 7a_100011215177_100000188475 [0,1,0,1,0,0|2,0,0]=4 13071 B15R1.3857 CCOC(=O)COCCN1CCC[C@@H]1C 2230a_100020605311_100000088970 [0,1,0,1,0,0|2,0,0]=4 13072 B15R1.3857 CCOC(=O)COCCN1CCC[C@@H]1C 269982a_100020605311_100000088970 [0,1,0,1,0,0|2,0,0]=4 13073 B15R1.3857 CCOC(=O)COCCN1CCC[C@H]1C 2230a_100015189458_100000088970 [0,1,0,1,0,0|2,0,0]=4 13074 B15R1.3857 CCOC(=O)COCCN1CCC[C@H]1C 269982a_100015189458_100000088970 [0,1,0,1,0,0|2,0,0]=4 13075 B15R1.3857 CCOC(=O)COCCN1CCC[C@H]1C 34a_100015189458_100000088970 [0,1,0,1,0,0|2,0,0]=4 13076 B15R1.3857 CCOC(=O)NCCOC1CCCC1C 7a_100011216460_200011445536 [0,1,0,1,0,0|2,0,0]=4 13077 B15R1.7390 CCCC(=O)NCC1CCN(C1)CCC 11a_100011224067_100000211992 [0,1,0,1,0,0|2,0,0]=4 13078 B15R1.7390 CCCC(=O)NCC1CCN(C1)CCC 1626a_100011224067_100000211992 [0,1,0,1,0,0|2,0,0]=4 13079 B15R1.7390 CCCC(=O)NCC1CCN(C1)CCC 240690a_100011224067_100000211992 [0,1,0,1,0,0|2,0,0]=4 13080 B15R1.7390 CCCC(=O)NCC1CCN(C1)CCC 527a_100011224067_100000211992 [0,1,0,1,0,0|2,0,0]=4 13081 B15R1.7390 CCCC(=O)OCN1CCC(C1)CCO 2230a_100016987287_100000034017 [0,1,0,1,0,0|2,0,0]=4 13082 B15R1.7390 CCCC(=O)OCN1CCC(C1)CCO 269982a_100016987287_100000034017 [0,1,0,1,0,0|2,0,0]=4 13083 B15R1.7390 CCCC(=O)OCN1CCC(C1)CCO 34a_100016987287_100000034017 [0,1,0,1,0,0|2,0,0]=4 13084 B15R1.7390 CCCC(=O)OCN1CCC(C1)COC 2230a_100025706693_100000034017 [0,1,0,1,0,0|2,0,0]=4 13085 B15R1.7390 CCCC(=O)OCN1CCC(C1)COC 269982a_100025706693_100000034017 [0,1,0,1,0,0|2,0,0]=4 13086 B15R1.7390 CCCC(=O)OCN1CCC(C1)COC 34a_100025706693_100000034017 [0,1,0,1,0,0|2,0,0]=4 13087 B15R1.7390 CCCC(=O)OCN1CC[C@@H](C1)OCC 2230a_100011787710_100000034017 [0,1,0,1,0,0|2,0,0]=4 13088 B15R1.7390 CCCC(=O)OCN1CC[C@@H](C1)OCC 269982a_100011787710_100000034017 [0,1,0,1,0,0|2,0,0]=4 13089 B15R1.7390 CCCC(=O)OCN1CC[C@@H](C1)OCC 34a_100011787710_100000034017 [0,1,0,1,0,0|2,0,0]=4 13090 B15R1.9453 CCCC(=O)NC1CCCN(C1)CCC 11a_100011435248_100000211992 [0,1,0,1,0,0|2,0,0]=4 13091 B15R1.9453 CCCC(=O)NC1CCCN(C1)CCC 1626a_100011435248_100000211992 [0,1,0,1,0,0|2,0,0]=4 13092 B15R1.9453 CCCC(=O)NC1CCCN(C1)CCC 240690a_100011435248_100000211992 [0,1,0,1,0,0|2,0,0]=4 13093 B15R1.9453 CCCC(=O)NC1CCCN(C1)CCC 527a_100011435248_100000211992 [0,1,0,1,0,0|2,0,0]=4 13094 B15R1.10316 CCCC(=O)C1CCCN1C(=O)CCC 1458a_100000743415_100000210303 [0,1,0,1,0,0|1,0,1]=4 13095 B15R1.10365 CCCC(=O)OCN1CCCC(CC1)C 2230a_100025706717_100000034017 [0,1,0,1,0,0|1,0,0]=3 13096 B15R1.10365 CCCC(=O)OCN1CCCC(CC1)C 269982a_100025706717_100000034017 [0,1,0,1,0,0|1,0,0]=3 13097 B15R1.10365 CCCC(=O)OCN1CCCC(CC1)C 34a_100025706717_100000034017 [0,1,0,1,0,0|1,0,0]=3 13098 B15R1.10365 CCCC(=O)OCN1CCCC(CC1)O 2230a_100015186869_100000034017 [0,1,0,1,0,0|1,0,0]=3 13099 B15R1.10365 CCCC(=O)OCN1CCCC(CC1)O 269982a_100015186869_100000034017 [0,1,0,1,0,0|1,0,0]=3 13100 B15R1.10365 CCCC(=O)OCN1CCCN(CC1)C 2230a_100000211313_100000034017 [0,1,0,1,0,0|2,0,0]=4 13101 B15R1.10365 CCCC(=O)OCN1CCCN(CC1)C 269982a_100000211313_100000034017 [0,1,0,1,0,0|2,0,0]=4 13102 B15R1.10572 CCCC(C)CCCOCC(=O)C1CC1 34a_100011713154_100000746382 [0,1,0,1,0,0|2,0,0]=4 13103 B15R1.10572 CCCC(C)CCCOCC(=O)C1CC1 7a_100011713154_100000746382 [0,1,0,1,0,0|2,0,0]=4 13104 B15R1.10572 CCCC(C)CCOCOC(=O)C1CC1 34a_100011217855_100000140896 [0,1,0,1,0,0|1,0,0]=3 13105 B15R1.10572 CCC[C@H](N)CCOCOC(=O)C1CC1 34a_100015193777_100000140896 [0,1,0,1,0,0|1,0,0]=3 13106 B15R1.11 CCCC(=O)CNCC1CCC(CC1)C 2230a_103436935547_100000747444 [0,1,0,1,0,0|2,0,0]=4 13107 B15R1.11 CCCC(=O)NCCC1CCC(CC1)O 1626a_200011935226_100000211992 [0,1,0,1,0,0|1,0,0]=3 13108 B15R1.11 CCCC(=O)NCCC1CCC(CC1)O 240690a_200011935226_100000211992 [0,1,0,1,0,0|1,0,0]=3 13109 B15R1.11 CCCC(=O)NCCC1CCC(CC1)O 527a_200011935226_100000211992 [0,1,0,1,0,0|1,0,0]=3 13110 B15R1.11 CCCC(=O)NCCC1CCN(CC1)C 1626a_100000748683_100000211992 [0,1,0,1,0,0|2,0,0]=4 13111 B15R1.11 CCCC(=O)NCCC1CCN(CC1)C 240690a_100000748683_100000211992 [0,1,0,1,0,0|2,0,0]=4 13112 B15R1.11 CCCC(=O)NCCC1CCN(CC1)C 527a_100000748683_100000211992 [0,1,0,1,0,0|2,0,0]=4 13113 B15R1.11 CCCC(=O)NCCN1CCC(CC1)C 240690a_100000739677_100000211992 [0,1,0,1,0,0|2,0,0]=4 13114 B15R1.11 CCCC(=O)NCCN1CCC(CC1)C 527a_100000739677_100000211992 [0,1,0,1,0,0|2,0,0]=4 13115 B15R1.11 CCCC(=O)NCCN1CCC(CC1)O 240690a_100020666255_100000211992 [0,1,0,1,0,0|2,0,0]=4 13116 B15R1.11 CCCC(=O)NCCN1CCC(CC1)O 527a_100020666255_100000211992 [0,1,0,1,0,0|2,0,0]=4 13117 B15R1.11 CCCC(=O)OCN[C@H]1CC[C@@H](CC1)C 2230a_100020625639_100000034017 [0,1,0,1,0,0|1,0,0]=3 13118 B15R1.11 CCCC(=O)OCN[C@H]1CC[C@@H](CC1)C 34a_100020625639_100000034017 [0,1,0,1,0,0|1,0,0]=3 13119 B15R1.11 CCCC(=O)OCOC1CCC(=O)CC1 34a_100000764474_100000034017 [0,1,0,1,0,0|1,0,1]=4 13120 B15R1.11 CCCC(=O)OCOC1CCC(CC1)C 34a_100000210714_100000034017 [0,1,0,1,0,0|1,0,0]=3 13121 B15R1.11 CCCC(=O)OCO[C@H]1CC[C@H](CC1)N 34a_100020628982_100000034017 [0,1,0,1,0,0|1,0,0]=3 13122 B15R1.11 CCCC(C)OCCC1CCC(CC1)N 34a_100000070672_100000766640 [0,1,0,1,0,0|1,0,1]=4 13123 B15R1.11 CCNC(=O)NCCC1CCC(CC1)O 2708a_100015525214_200011935226 [0,1,0,1,0,0|2,0,0]=4 13124 B15R1.11 CCNC(=O)NCCC1CCC(CC1)O 2708a_200011935226_100015525214 [0,1,0,1,0,0|2,0,0]=4 13125 B15R1.11 CCNC(=O)NCCC1CCC(CC1)O 273464a_100015525214_200011935226 [0,1,0,1,0,0|2,0,0]=4 13126 B15R1.11 CCNC(=O)NCCC1CCC(CC1)O 273464a_200011935226_100015525214 [0,1,0,1,0,0|2,0,0]=4 13127 B15R1.11 CCNC(=O)NCCC1CCC(CC1)O 512a_100015525214_200011935226 [0,1,0,1,0,0|2,0,0]=4 13128 B15R1.11 CCNC(=O)NCCC1CCC(CC1)O 512a_200011935226_100015525214 [0,1,0,1,0,0|2,0,0]=4 13129 B15R1.11 COCC(=O)NCCC1CCC(CC1)O 1626a_200011935226_100000210968 [0,1,0,1,0,0|2,0,0]=4 13130 B15R1.11 COCC(=O)NCCC1CCC(CC1)O 240690a_200011935226_100000210968 [0,1,0,1,0,0|2,0,0]=4 13131 B15R1.11 COCC(=O)NCCC1CCC(CC1)O 527a_200011935226_100000210968 [0,1,0,1,0,0|2,0,0]=4 13132 B15R1.11 CSCC(=O)NCCC1CCC(CC1)O 1626a_200011935226_100000184570 [0,1,0,1,0,0|2,0,0]=4 13133 B15R1.11 CSCC(=O)NCCC1CCC(CC1)O 240690a_200011935226_100000184570 [0,1,0,1,0,0|2,0,0]=4 13134 B15R1.11 CSCC(=O)NCCC1CCC(CC1)O 527a_200011935226_100000184570 [0,1,0,1,0,0|2,0,0]=4 13135 B15R1.11 O=C(CCO)NCCC1CCC(CC1)O 240690a_200011935226_100011216618 [0,1,0,1,0,0|2,0,0]=4 13136 B15R1.27 CCCC(=O)CNC1CCCC(C1C)C 2230a_100000211273_100000747444 [0,1,0,1,0,0|2,0,0]=4 13137 B15R1.27 CCCC(=O)COC1CCCC(C1C)C 7a_100011217532_100000747444 [0,1,0,1,0,0|2,0,0]=4 13138 B15R1.777 CCCC(=O)OCOC[C@@H]1C[C@@H](CN1)F 34a_100015204000_100000034017 [0,1,0,1,0,0|2,0,0]=4 13139 B15R1.777 CCCC(=O)OCSCC1CCN(C1)C 62a_200000690779_100000034017 [0,1,0,1,0,0|2,0,0]=4 13140 B15R1.812 CCCC(=O)N1CCCCC1C(=O)CC 1458a_100000743511_100000210202 [0,1,0,1,0,0|1,0,1]=4 13141 B15R1.975 CCC(C)CCCCCOC1CCCC1 7a_200000035636_100000179811 [0,1,0,1,0,0|1,0,1]=4 13142 B15R1.1263 CCOC(=O)CCCCOCC1CC1C 34a_100000744939_100000750268 [0,1,0,1,0,0|2,0,0]=4 13143 B15R1.1263 CCOC(=O)CCCCOCC1CC1C 7a_100000744939_100000750268 [0,1,0,1,0,0|2,0,0]=4 13144 B15R1.1263 CCOC(=O)COCCOCC1CC1C 34a_100000744939_100000088970 [0,1,0,1,0,0|2,0,0]=4 13145 B15R1.1263 CCOC(=O)COCCOCC1CC1C 7a_100000744939_100000088970 [0,1,0,1,0,0|2,0,0]=4 13146 B15R1.1264 CCOC(=O)CCCCCCN1CCC1 269982a_100000754969_100009814379 [0,1,0,1,0,0|2,0,0]=4 13147 B15R1.1264 CCOC(=O)CCCCCNC1CCC1 2230a_100000749019_100000755133 [0,1,0,1,0,0|2,0,0]=4 13148 B15R1.1264 CCOC(=O)CCCCCNC1CCC1 34a_100000749019_100000755133 [0,1,0,1,0,0|2,0,0]=4 13149 B15R1.1264 CCOC(=O)CCCCCOC1CCC1 34a_100000748187_100000755133 [0,1,0,1,0,0|2,0,0]=4 13150 B15R1.1264 CCOC(=O)CCCCCSC1CCC1 62a_100000755133_100000749161 [0,1,0,1,0,0|2,0,0]=4 13151 B15R1.1264 CCOC(=O)CCCCNCC1CCC1 2230a_100000738700_100000750268 [0,1,0,1,0,0|2,0,0]=4 13152 B15R1.1264 CCOC(=O)CCCCNCC1CCC1 34a_100000738700_100000750268 [0,1,0,1,0,0|2,0,0]=4 13153 B15R1.1264 CCOC(=O)CCCCOCC1CCC1 34a_100000760304_100000750268 [0,1,0,1,0,0|2,0,0]=4 13154 B15R1.1264 CCOC(=O)CCCCSCC1CCC1 62a_100000750268_100000763275 [0,1,0,1,0,0|2,0,0]=4 13155 B15R1.1264 CCOC(=O)CCCCSCC1CCC1 62a_100000763275_100000750268 [0,1,0,1,0,0|2,0,0]=4 13156 B15R1.1264 CCOC(=O)COCCCNC1CCC1 2230a_100000749019_100009893628 [0,1,0,1,0,0|2,0,0]=4 13157 B15R1.1264 CCOC(=O)COCCCNC1CCC1 34a_100000749019_100009893628 [0,1,0,1,0,0|2,0,0]=4 13158 B15R1.1264 CCOC(=O)COCCCOC1CCC1 34a_100000748187_100009893628 [0,1,0,1,0,0|2,0,0]=4 13159 B15R1.1264 CCOC(=O)COCCCSC1CCC1 62a_100009893628_100000749161 [0,1,0,1,0,0|2,0,0]=4 13160 B15R1.1264 CCOC(=O)COCCNCC1CCC1 2230a_100000738700_100000088970 [0,1,0,1,0,0|2,0,0]=4 13161 B15R1.1264 CCOC(=O)COCCNCC1CCC1 34a_100000738700_100000088970 [0,1,0,1,0,0|2,0,0]=4 13162 B15R1.1264 CCOC(=O)COCCOCC1CCC1 34a_100000760304_100000088970 [0,1,0,1,0,0|2,0,0]=4 13163 B15R1.1264 CCOC(=O)COCCSCC1CCC1 62a_100000088970_100000763275 [0,1,0,1,0,0|2,0,0]=4 13164 B15R1.1264 CCOC(=O)COCCSCC1CCC1 62a_100000763275_100000088970 [0,1,0,1,0,0|2,0,0]=4 13165 B15R1.3174 CCC(C)CCNCCN1CCCC1=O 2230a_100020591266_100000739059 [0,1,0,1,0,0|2,0,0]=4 13166 B15R1.3174 CCC(C)CCOCCN1CCCC1=O 7a_100011215188_100000739059 [0,1,0,1,0,0|2,0,0]=4 13167 B15R1.3174 CCC(C)CNCCCN1CCCC1=O 2230a_100000210347_100000748023 [0,1,0,1,0,0|2,0,0]=4 13168 B15R1.3174 CCC(C)CNCCCN1CCCC1=O 270004a_100000210347_100000243153 [0,1,0,1,0,0|2,0,0]=4 13169 B15R1.3174 CCC(C)CNCCCN1CCCC1=O 34a_100000210347_100000748023 [0,1,0,1,0,0|2,0,0]=4 13170 B15R1.3174 CCC(C)COCCCN1CCCC1=O 34a_100011216539_100000748023 [0,1,0,1,0,0|2,0,0]=4 13171 B15R1.3174 CCC(C)COCCCN1CCCC1=O 7a_100011216539_100000748023 [0,1,0,1,0,0|2,0,0]=4 13172 B15R1.3174 CCC(O)CNCCCN1CCCC1=O 2230a_100000210347_100011218378 [0,1,0,1,0,0|2,0,0]=4 13173 B15R1.3174 CCC(O)CNCCCN1CCCC1=O 34a_100000210347_100011218378 [0,1,0,1,0,0|2,0,0]=4 13174 B15R1.3174 CCC(O)COCCCN1CCCC1=O 34a_100011216539_100011218378 [0,1,0,1,0,0|2,0,0]=4 13175 B15R1.3174 CCC(O)COCCCN1CCCC1=O 7a_100011216539_100011218378 [0,1,0,1,0,0|2,0,0]=4 13176 B15R1.3174 CC[C@H](C)CNCCCN1CCCC1=O 2230a_100000210347_100009816398 [0,1,0,1,0,0|2,0,0]=4 13177 B15R1.3174 CC[C@H](C)CNCCCN1CCCC1=O 34a_100000210347_100009816398 [0,1,0,1,0,0|2,0,0]=4 13178 B15R1.3174 CC[C@H](C)COCCCN1CCCC1=O 34a_100011216539_100009816398 [0,1,0,1,0,0|2,0,0]=4 13179 B15R1.3174 CC[C@H](C)COCCCN1CCCC1=O 7a_100011216539_100009816398 [0,1,0,1,0,0|2,0,0]=4 13180 B15R1.3865 CCCC(=O)OCSCCC1CCC1=O 62a_200016118888_100000034017 [0,1,0,1,0,0|1,0,1]=4 13181 B15R1.3865 CCOC(=O)CCCCCN1CCC1C 269982a_100000755817_100000755133 [0,1,0,1,0,0|2,0,0]=4 13182 B15R1.3865 CCOC(=O)CCCCCN1CCC1C 34a_100000755817_100000755133 [0,1,0,1,0,0|2,0,0]=4 13183 B15R1.3865 CCOC(=O)COCCCN1CCC1C 269982a_100000755817_100009893628 [0,1,0,1,0,0|2,0,0]=4 13184 B15R1.3865 CCOC(=O)COCCCN1CCC1C 34a_100000755817_100009893628 [0,1,0,1,0,0|2,0,0]=4 13185 B15R1.3868 CCCC(=O)OCN1CCC[C@@]1(C)CO 2230a_100016195882_100000034017 [0,1,0,1,0,0|2,0,0]=4 13186 B15R1.3868 CCCC(=O)OCN1CCC[C@@]1(C)CO 269982a_100016195882_100000034017 [0,1,0,1,0,0|2,0,0]=4 13187 B15R1.3868 CCCC(=O)OCN1CCC[C@@]1(C)CO 34a_100016195882_100000034017 [0,1,0,1,0,0|2,0,0]=4 13188 B15R1.9901 CCCC(=O)OCNC1CCN(C1)CC 2230a_100015188829_100000034017 [0,1,0,1,0,0|2,0,0]=4 13189 B15R1.10389 CCCC(=O)COC1CCCC(C1)CC 7a_100011985506_100000747444 [0,1,0,1,0,0|2,0,0]=4 13190 B15R1.10389 CCCC(=O)NCC1CCCN(C1)CC 1626a_100000747413_100000211992 [0,1,0,1,0,0|2,0,0]=4 13191 B15R1.10389 CCCC(=O)NCC1CCCN(C1)CC 240690a_100000747413_100000211992 [0,1,0,1,0,0|2,0,0]=4 13192 B15R1.10389 CCCC(=O)NCC1CCCN(C1)CC 527a_100000747413_100000211992 [0,1,0,1,0,0|2,0,0]=4 13193 B15R1.10389 CCCC(=O)OCN1CCCC(C1)CF 2230a_100016992999_100000034017 [0,1,0,1,0,0|2,0,0]=4 13194 B15R1.10389 CCCC(=O)OCN1CCCC(C1)CF 269982a_100016992999_100000034017 [0,1,0,1,0,0|2,0,0]=4 13195 B15R1.10389 CCCC(=O)OCN1CCCC(C1)CF 34a_100016992999_100000034017 [0,1,0,1,0,0|2,0,0]=4 13196 B15R1.10389 CCCC(=O)OCN1CCCC(C1)CO 2230a_100000211344_100000034017 [0,1,0,1,0,0|2,0,0]=4 13197 B15R1.10389 CCCC(=O)OCN1CCCC(C1)CO 269982a_100000211344_100000034017 [0,1,0,1,0,0|2,0,0]=4 13198 B15R1.10389 CCCC(=O)OCN1CCCC(C1)CO 34a_100000211344_100000034017 [0,1,0,1,0,0|2,0,0]=4 13199 B15R1.10389 CCCC(=O)OCN1CCCC(C1)OC 2230a_100000695604_100000034017 [0,1,0,1,0,0|2,0,0]=4 13200 B15R1.10389 CCCC(=O)OCN1CCCC(C1)OC 269982a_100000695604_100000034017 [0,1,0,1,0,0|2,0,0]=4 13201 B15R1.10389 CCCC(=O)OCN1CCCC(C1)OC 34a_100000695604_100000034017 [0,1,0,1,0,0|2,0,0]=4 13202 B15R1.10389 CCCC(=O)OCN1CCOC(C1)CC 2230a_100000736320_100000034017 [0,1,0,1,0,0|2,0,0]=4 13203 B15R1.10389 CCCC(=O)OCN1CCOC(C1)CC 269982a_100000736320_100000034017 [0,1,0,1,0,0|2,0,0]=4 13204 B15R1.10389 CCCC(=O)OCN1CCOC(C1)CC 34a_100000736320_100000034017 [0,1,0,1,0,0|2,0,0]=4 13205 B15R1.11812 CCN(C)CCCSCOC(=O)C1CC1 62a_100000140896_100015186262 [0,1,0,1,0,0|2,0,0]=4 13206 B15R1.11812 C[C@@H](CN)CCCOCOC(=O)C1CC1 34a_100160569302_100000140896 [0,1,0,1,0,0|2,0,0]=4 13207 B15R1.585 CCCCCCCC(C)OC1CCCC1 34a_100000210269_200011218727 [0,1,0,1,0,0|1,0,1]=4 13208 B15R1.585 CCCCCCCC(C)OC1CCCC1 34a_200011215852_100000179811 [0,1,0,1,0,0|1,0,1]=4 13209 B15R1.585 CCCCCCCC(C)OC1CCCC1 7a_100000210269_200011218727 [0,1,0,1,0,0|1,0,1]=4 13210 B15R1.585 CCCCCCCC(C)OC1CCCC1 7a_200011215852_100000179811 [0,1,0,1,0,0|1,0,1]=4 13211 B15R1.585 CCCCCCCC(C)OC1CCCO1 34a_100000085407_200011218727 [0,1,0,1,0,0|0,0,2]=4 13212 B15R1.809 CCCC(=O)CC(=O)CC1CCCCC1 1458a_100000211666_100000747444 [0,1,0,1,0,0|1,0,1]=4 13213 B15R1.809 CCCC(=O)CN(C)CC1CCCCC1 2230a_100000736448_100000747444 [0,1,0,1,0,0|2,0,0]=4 13214 B15R1.809 CCCC(=O)CN(C)CC1CCCCC1 269982a_100000736448_100000747444 [0,1,0,1,0,0|2,0,0]=4 13215 B15R1.809 CCCC(=O)NC(C)CN1CCCCC1 11a_100000738326_100000211992 [0,1,0,1,0,0|2,0,0]=4 13216 B15R1.809 CCCC(=O)NC(C)CN1CCCCC1 1626a_100000738326_100000211992 [0,1,0,1,0,0|2,0,0]=4 13217 B15R1.809 CCCC(=O)NC(C)CN1CCCCC1 240690a_100000738326_100000211992 [0,1,0,1,0,0|2,0,0]=4 13218 B15R1.809 CCCC(=O)NC(C)CN1CCCCC1 527a_100000738326_100000211992 [0,1,0,1,0,0|2,0,0]=4 13219 B15R1.809 CCOC(=O)OC(C)SC1CCCCC1 62a_100000036008_100000210327 [0,1,0,1,0,0|2,0,0]=4 13220 B15R1.809 CCOC(=O)OC(C)SC1CCCCC1 62a_100000210327_100000036008 [0,1,0,1,0,0|2,0,0]=4 13221 B15R1.1284 CCCC(=O)CC(=O)CCC1CCCC1 1458a_100000211120_100000747444 [0,1,0,1,0,0|1,0,1]=4 13222 B15R1.1284 CCOC(=O)OC(C)SCC1CCCC1 62a_100000036008_100000740388 [0,1,0,1,0,0|2,0,0]=4 13223 B15R1.1284 CCOC(=O)OC(C)SCC1CCCC1 62a_100000740388_100000036008 [0,1,0,1,0,0|2,0,0]=4 13224 B15R1.1949 CCCCCCCN1CCCNC(=O)C1 2230a_100015190381_100000210681 [0,1,0,1,0,0|2,0,0]=4 13225 B15R1.3722 CCCC(=O)CC(=O)C1CCCCC1C 1458a_100011215568_100000747444 [0,1,0,1,0,0|1,0,1]=4 13226 B15R1.3722 CCOC(=O)OC(C)N1CCCCC1C 269982a_100000211376_100000036008 [0,1,0,1,0,0|2,0,0]=4 13227 B15R1.3728 CCOC(=O)OC(C)N1CCCC1CC 269982a_100000754278_100000036008 [0,1,0,1,0,0|2,0,0]=4 13228 B15R1.4163 CCCCCCCc1nc(no1)CCC 270196a_100011193412_100000211969 [0,1,0,1,0,0|1,0,1]=4 13229 B15R1.4163 CCCCCCCc1noc(n1)CCC 270196a_200011216759_100000211992 [0,1,0,1,0,0|1,0,1]=4 13230 B15R1.5906 CCCCCCCC(=O)C1CCCC1=O 1458a_100000211969_100000211823 [0,1,0,1,0,0|1,0,1]=4 13231 B15R1.5906 CCCCCCCN(C)C1CCCC1=O 2230a_100000228206_100000211823 [0,1,0,1,0,0|2,0,0]=4 13232 B15R1.5906 CCCCCCCN(C)C1CCCC1=O 269982a_100000228206_100000211823 [0,1,0,1,0,0|2,0,0]=4 13233 B15R1.10705 CCCC(=O)CN1CCCCCCCC1 2230a_100000039187_100000747444 [0,1,0,1,0,0|1,0,0]=3 13234 B15R1.10705 CCCC(=O)CN1CCCCCCCC1 269982a_100000039187_100000747444 [0,1,0,1,0,0|1,0,0]=3 13235 B15R1.10705 CCNC(=O)CN1CCCCCCCC1 2230a_100000039187_100000183381 [0,1,0,1,0,0|2,0,0]=4 13236 B15R1.10705 CCNC(=O)CN1CCCCCCCC1 269982a_100000039187_100000183381 [0,1,0,1,0,0|2,0,0]=4 13237 B15R1.10705 CCNC(=O)CN1CCCCCCCC1 34a_100000039187_100000183381 [0,1,0,1,0,0|2,0,0]=4 13238 B15R1.10705 CCOC(=O)CN1CCCCCCCC1 2230a_100000039187_100000188475 [0,1,0,1,0,0|2,0,0]=4 13239 B15R1.10705 CCOC(=O)CN1CCCCCCCC1 269982a_100000039187_100000188475 [0,1,0,1,0,0|2,0,0]=4 13240 B15R1.10705 CCOC(=O)CN1CCCCCCCC1 34a_100000039187_100000188475 [0,1,0,1,0,0|2,0,0]=4 13241 B15R1.11888 CCCCCCCC(=O)CC(=O)C1CC1 1458a_100000211969_100000746382 [0,1,0,1,0,0|1,0,1]=4 13242 B15R1.11888 CCCCCCCC(C)OC(C)C1CC1 34a_100000744524_200011218727 [0,1,0,1,0,0|1,0,1]=4 13243 B15R1.11888 CCCCCCCC(C)OC(C)C1CC1 7a_100000744524_200011218727 [0,1,0,1,0,0|1,0,1]=4 13244 B15R1.11888 CCCCCCCN(C)CC(=O)C1CC1 2230a_100000228206_100000746382 [0,1,0,1,0,0|2,0,0]=4 13245 B15R1.11888 CCCCCCCN(C)CC(=O)C1CC1 269982a_100000228206_100000746382 [0,1,0,1,0,0|2,0,0]=4 13246 B15R1.16078 CCCC(=O)CC(=O)C1CCCCCC1 1458a_100000749507_100000747444 [0,1,0,1,0,0|1,0,1]=4 13247 B15R1.16078 CCCC(=O)CC(C)N1CCCCCC1 1458a_100015185830_100000210303 [0,1,0,1,0,0|2,0,0]=4 13248 B15R1.16078 CCCC(=O)CN(C)C1CCCCCC1 2230a_100015185097_100000747444 [0,1,0,1,0,0|2,0,0]=4 13249 B15R1.16078 CCCC(=O)CN(C)C1CCCCCC1 269982a_100015185097_100000747444 [0,1,0,1,0,0|2,0,0]=4 13250 B15R1.16078 CCOC(=O)OC(C)N1CCCCCC1 269982a_100000185865_100000036008 [0,1,0,1,0,0|2,0,0]=4 13251 B15R1.23901 CCCCCCCC(C)OC1(CCC1)C 34a_100000759064_200011218727 [0,1,0,1,0,0|1,0,1]=4 13252 B15R1.23901 CCCCCCCC(C)OC1(CCC1)C 7a_100000759064_200011218727 [0,1,0,1,0,0|1,0,1]=4 13253 B15R1.22 CCCCCNCC1CCCC(=O)N1C 2230a_200010383782_100000210326 [0,1,0,1,0,0|2,0,0]=4 13254 B15R1.22 CCCCCNCC1CCCC(=O)N1C 34a_200010383782_100000718602 [0,1,0,1,0,0|2,0,0]=4 13255 B15R1.96 CCCCCCCCC(=O)C1=CCCC1 1458a_100000038896_100000210759 [0,1,0,1,0,0|2,0,0]=4 13256 B15R1.220 CCCCCCCNC1CCCNC1=O 2230a_100000229938_100000687798 [0,1,0,1,0,0|2,0,0]=4 13257 B15R1.220 CCCCCCCNC1CCCNC1=O 2230a_100000747585_100000210681 [0,1,0,1,0,0|2,0,0]=4 13258 B15R1.220 CCCCCCCNC1CCCNC1=O 34a_100000747585_100000210614 [0,1,0,1,0,0|2,0,0]=4 13259 B15R1.220 CCCCCCCOC1CCCCC1=O 34a_100000210272_100000754470 [0,1,0,1,0,0|2,0,0]=4 13260 B15R1.220 CCCCCCCOC1CCCCC1=O 34a_100011214950_100000210614 [0,1,0,1,0,0|2,0,0]=4 13261 B15R1.220 CCCCCCCOC1CCCCC1=O 7a_100000210272_100000204591 [0,1,0,1,0,0|2,0,0]=4 13262 B15R1.220 CCCCCCCOC1CCCNC1=O 34a_100000073722_100000210614 [0,1,0,1,0,0|2,0,0]=4 13263 B15R1.220 CCCCCCCOC1CCCNC1=O 34a_100000210272_100000687798 [0,1,0,1,0,0|2,0,0]=4 13264 B15R1.220 CCCCCCCOC1CCCNC1=O 7a_100000210272_100000687798 [0,1,0,1,0,0|2,0,0]=4 13265 B15R1.220 CCCCCCCOC1COCCC1=O 34a_100000210272_100012180262 [0,1,0,1,0,0|2,0,0]=4 13266 B15R1.220 CCCCCCCOC1COCCC1=O 7a_100000210272_100012180262 [0,1,0,1,0,0|2,0,0]=4 13267 B15R1.220 CCCCCCCSC1CCCCC1=O 62a_100000204591_100000210316 [0,1,0,1,0,0|2,0,0]=4 13268 B15R1.220 CCCCCCCSC1CCCCC1=O 62a_100000210614_100000204591 [0,1,0,1,0,0|2,0,0]=4 13269 B15R1.220 CCCCCCCSC1CCCNC1=O 62a_100000210614_100000687798 [0,1,0,1,0,0|2,0,0]=4 13270 B15R1.220 CCCCCCCSC1CCCNC1=O 62a_100000687798_100000210316 [0,1,0,1,0,0|2,0,0]=4 13271 B15R1.220 CCCCCCCSC1COCCC1=O 62a_100000210614_100012180262 [0,1,0,1,0,0|2,0,0]=4 13272 B15R1.220 CCCCCCCSC1COCCC1=O 62a_100012180262_100000210316 [0,1,0,1,0,0|2,0,0]=4 13273 B15R1.220 CCCCCCOCC1CCCCC1=O 34a_100009861125_100000210314 [0,1,0,1,0,0|2,0,0]=4 13274 B15R1.220 CCCCCCOCC1CCCCC1=O 7a_100009861125_100000210314 [0,1,0,1,0,0|2,0,0]=4 13275 B15R1.220 CCCCCNCCN1CCCCC1=O 2230a_100160573077_100000210326 [0,1,0,1,0,0|2,0,0]=4 13276 B15R1.220 CCCCCNCCN1CCCCC1=O 34a_100160573077_100000718602 [0,1,0,1,0,0|2,0,0]=4 13277 B15R1.826 CCCC(=O)N(C)CCC1CCCCO1 11a_100015183322_100000211992 [0,1,0,1,0,0|2,0,0]=4 13278 B15R1.826 CCCC(=O)N(C)CCC1CCCCO1 1626a_100015183322_100000211992 [0,1,0,1,0,0|2,0,0]=4 13279 B15R1.826 CCCC(=O)N(C)CCC1CCCCO1 240690a_100015183322_100000211992 [0,1,0,1,0,0|2,0,0]=4 13280 B15R1.826 CCCC(=O)N(C)CCC1CCCCO1 527a_100015183322_100000211992 [0,1,0,1,0,0|2,0,0]=4 13281 B15R1.826 CCNC(=O)C(=O)CCC1CCCCC1 1458a_200011297158_100011273959 [0,1,0,1,0,0|2,0,0]=4 13282 B15R1.1039 CCCC(=O)N1CCCC(C1)CCCO 240690a_100150707839_100000211992 [0,1,0,1,0,0|2,0,0]=4 13283 B15R1.1039 CCCC(=O)N1CCCC(C1)CCCO 527a_100150707839_100000211992 [0,1,0,1,0,0|2,0,0]=4 13284 B15R1.1039 CCCC(=O)N1CCCC(C1)CCOC 11a_100011653411_100000211992 [0,1,0,1,0,0|2,0,0]=4 13285 B15R1.1039 CCCC(=O)N1CCCC(C1)CCOC 1626a_100011653411_100000211992 [0,1,0,1,0,0|2,0,0]=4 13286 B15R1.1039 CCCC(=O)N1CCCC(C1)CCOC 240690a_100011653411_100000211992 [0,1,0,1,0,0|2,0,0]=4 13287 B15R1.1039 CCCC(=O)N1CCCC(C1)CCOC 527a_100011653411_100000211992 [0,1,0,1,0,0|2,0,0]=4 13288 B15R1.1039 CCCOC1CCCN(C1)C(=O)CCC 11a_100000743837_100000211992 [0,1,0,1,0,0|2,0,0]=4 13289 B15R1.1039 CCCOC1CCCN(C1)C(=O)CCC 1626a_100000743837_100000211992 [0,1,0,1,0,0|2,0,0]=4 13290 B15R1.1039 CCCOC1CCCN(C1)C(=O)CCC 240690a_100000743837_100000211992 [0,1,0,1,0,0|2,0,0]=4 13291 B15R1.1039 CCCOC1CCCN(C1)C(=O)CCC 527a_100000743837_100000211992 [0,1,0,1,0,0|2,0,0]=4 13292 B15R1.1167 CCCOCC1CCN(C1)C(=O)CCC 11a_200011652792_100000211992 [0,1,0,1,0,0|2,0,0]=4 13293 B15R1.1167 CCCOCC1CCN(C1)C(=O)CCC 1626a_200011652792_100000211992 [0,1,0,1,0,0|2,0,0]=4 13294 B15R1.1167 CCCOCC1CCN(C1)C(=O)CCC 240690a_200011652792_100000211992 [0,1,0,1,0,0|2,0,0]=4 13295 B15R1.1167 CCCOCC1CCN(C1)C(=O)CCC 527a_200011652792_100000211992 [0,1,0,1,0,0|2,0,0]=4 13296 B15R1.2083 CCCCCN1CCN(C(=O)C1CC)C 2230a_100015184039_100000210326 [0,1,0,1,0,0|2,0,0]=4 13297 B15R1.2083 CCCCCN1CCN(C(=O)C1CC)C 269982a_100015184039_100000210215 [0,1,0,1,0,0|2,0,0]=4 13298 B15R1.2083 CCCCCN1CCN(C(=O)C1CC)C 34a_100015184039_100000718602 [0,1,0,1,0,0|2,0,0]=4 13299 B15R1.2152 CCCCCCCCN(C)C(=O)C1CC1 11a_100000207567_100000210395 [0,1,0,1,0,0|1,0,0]=3 13300 B15R1.2152 CCCCCCCCN(C)C(=O)C1CC1 1626a_100000207567_100000210395 [0,1,0,1,0,0|1,0,0]=3 13301 B15R1.2152 CCCCCCCCN(C)C(=O)C1CC1 240690a_100000207567_100000210395 [0,1,0,1,0,0|1,0,0]=3 13302 B15R1.2152 CCCCCCCCN(C)C(=O)C1CC1 527a_100000207567_100000210395 [0,1,0,1,0,0|1,0,0]=3 13303 B15R1.2152 CCCCCCCCN(C)C(=O)C1CO1 11a_100000207567_100000701028 [0,1,0,1,0,0|2,0,0]=4 13304 B15R1.2152 CCCCCCCCN(C)C(=O)C1CO1 1626a_100000207567_100000701028 [0,1,0,1,0,0|2,0,0]=4 13305 B15R1.2152 CCCCCCCCN(C)C(=O)C1CO1 240690a_100000207567_100000701028 [0,1,0,1,0,0|2,0,0]=4 13306 B15R1.2152 CCCCCCCCN(C)C(=O)C1CO1 527a_100000207567_100000701028 [0,1,0,1,0,0|2,0,0]=4 13307 B15R1.3960 CCCC(=O)N(C)CC1CCCCN1C 240690a_100015185953_100000211992 [0,1,0,1,0,0|2,0,0]=4 13308 B15R1.3960 CCCC(=O)N(C)CC1CCCCN1C 527a_100015185953_100000211992 [0,1,0,1,0,0|2,0,0]=4 13309 B15R1.9921 CCCC(=O)N(C)CCCC1CCCC1 11a_100015186261_100000211992 [0,1,0,1,0,0|1,0,0]=3 13310 B15R1.9921 CCCC(=O)N(C)CCCC1CCCC1 1626a_100015186261_100000211992 [0,1,0,1,0,0|1,0,0]=3 13311 B15R1.9921 CCCC(=O)N(C)CCCC1CCCC1 240690a_100015186261_100000211992 [0,1,0,1,0,0|1,0,0]=3 13312 B15R1.9921 CCCC(=O)N(C)CCCC1CCCC1 527a_100015186261_100000211992 [0,1,0,1,0,0|1,0,0]=3 13313 B15R1.9921 CCCC(=O)N(C)CCCC1CCCO1 11a_100011698863_100000211992 [0,1,0,1,0,0|2,0,0]=4 13314 B15R1.9921 CCCC(=O)N(C)CCCC1CCCO1 1626a_100011698863_100000211992 [0,1,0,1,0,0|2,0,0]=4 13315 B15R1.9921 CCCC(=O)N(C)CCCC1CCCO1 240690a_100011698863_100000211992 [0,1,0,1,0,0|2,0,0]=4 13316 B15R1.9921 CCCC(=O)N(C)CCCC1CCCO1 527a_100011698863_100000211992 [0,1,0,1,0,0|2,0,0]=4 13317 B15R1.9921 CCCC(=O)N(C)CCCN1CCCC1 240690a_100000233079_100000211992 [0,1,0,1,0,0|2,0,0]=4 13318 B15R1.9921 CCCC(=O)N(C)CCCN1CCCC1 527a_100000233079_100000211992 [0,1,0,1,0,0|2,0,0]=4 13319 B15R1.9921 CCNC(=O)C(=O)CCCC1CCCC1 1458a_200011297158_100011713738 [0,1,0,1,0,0|2,0,0]=4 13320 B15R1.9921 CCNC(=O)N(C)CCCC1CCCC1 2708a_100015525214_100015186261 [0,1,0,1,0,0|2,0,0]=4 13321 B15R1.9921 CCNC(=O)N(C)CCCC1CCCC1 273464a_100015525214_100015186261 [0,1,0,1,0,0|2,0,0]=4 13322 B15R1.9921 CN(CCCC1CCCC1)C(=O)CCO 240690a_100015186261_100011216618 [0,1,0,1,0,0|2,0,0]=4 13323 B15R1.9921 COCC(=O)N(C)CCCC1CCCC1 11a_100015186261_100000210968 [0,1,0,1,0,0|2,0,0]=4 13324 B15R1.9921 COCC(=O)N(C)CCCC1CCCC1 1626a_100015186261_100000210968 [0,1,0,1,0,0|2,0,0]=4 13325 B15R1.9921 COCC(=O)N(C)CCCC1CCCC1 240690a_100015186261_100000210968 [0,1,0,1,0,0|2,0,0]=4 13326 B15R1.9921 COCC(=O)N(C)CCCC1CCCC1 527a_100015186261_100000210968 [0,1,0,1,0,0|2,0,0]=4 13327 B15R1.9921 CSCC(=O)N(C)CCCC1CCCC1 11a_100015186261_100000184570 [0,1,0,1,0,0|2,0,0]=4 13328 B15R1.9921 CSCC(=O)N(C)CCCC1CCCC1 1626a_100015186261_100000184570 [0,1,0,1,0,0|2,0,0]=4 13329 B15R1.9921 CSCC(=O)N(C)CCCC1CCCC1 240690a_100015186261_100000184570 [0,1,0,1,0,0|2,0,0]=4 13330 B15R1.9921 CSCC(=O)N(C)CCCC1CCCC1 527a_100015186261_100000184570 [0,1,0,1,0,0|2,0,0]=4 13331 B15R1.16898 CCCC(=O)C(=O)NC1CCCCCC1 1458a_100011297277_100000210303 [0,1,0,1,0,0|2,0,0]=4 13332 B15R1.16898 CCNC(=O)C(=O)CC1CCCCCC1 1458a_200011297158_200000696569 [0,1,0,1,0,0|2,0,0]=4 13333 B15R1.34 CCCCCCCCOC1CCC(C1)C 34a_100000698185_100000210759 [0,1,0,1,0,0|1,0,1]=4 13334 B15R1.34 CCCCCCCCOC1CCN(C1)C 7a_100000210232_200012183744 [0,1,0,1,0,0|1,0,1]=4 13335 B15R1.35 CCCCCCCCOC1C=CCCC1 34a_100011215024_100000210759 [0,1,0,1,0,0|1,0,1]=4 13336 B15R1.35 CCCCCCCCOC1C=CCCC1 7a_100000210232_100000751183 [0,1,0,1,0,0|1,0,1]=4 13337 B15R1.35 CCCCCCCCOC1CCCCC1 34a_100000210231_100000210759 [0,1,0,1,0,0|1,0,1]=4 13338 B15R1.35 CCCCCCCCOC1CCCCC1 34a_100000210232_100000210327 [0,1,0,1,0,0|1,0,1]=4 13339 B15R1.35 CCCCCCCCOC1CCCCC1 7a_100000210231_100000210759 [0,1,0,1,0,0|1,0,1]=4 13340 B15R1.35 CCCCCCCCOC1CCCCC1 7a_100000210232_100000210327 [0,1,0,1,0,0|1,0,1]=4 13341 B15R1.35 CCCCCCCCOC1CCCCO1 34a_100000033831_100000210759 [0,1,0,1,0,0|0,0,2]=4 13342 B15R1.35 CCCCCCCCOC1CCCOC1 34a_100000210232_100000693364 [0,1,0,1,0,0|0,0,2]=4 13343 B15R1.35 CCCCCCCCOC1CCCOC1 34a_100000754041_100000210759 [0,1,0,1,0,0|0,0,2]=4 13344 B15R1.35 CCCCCCCCOC1CCCOC1 7a_100000210232_100000693364 [0,1,0,1,0,0|0,0,2]=4 13345 B15R1.35 CCCCCCCCOC1CCCSC1 7a_100015962668_100000210759 [0,1,0,1,0,0|0,1,1]=4 13346 B15R1.35 CCCCCCCCOC1CCOCC1 34a_100000744328_100000210759 [0,1,0,1,0,0|1,0,1]=4 13347 B15R1.35 CCCCCCCCOC1CCOCC1 7a_100000210232_100000686592 [0,1,0,1,0,0|1,0,1]=4 13348 B15R1.35 CCCCCCCCOC1CCSCC1 34a_100000210232_100000069128 [0,1,0,1,0,0|1,0,1]=4 13349 B15R1.35 CCCCCCCCOC1CCSCC1 34a_100000731022_100000210759 [0,1,0,1,0,0|1,0,1]=4 13350 B15R1.35 CCCCCCCCOC1CCSCC1 7a_100000210232_100011500858 [0,1,0,1,0,0|1,0,1]=4 13351 B15R1.35 CCCCCCCCOC1CCSCC1 7a_100000731022_100000210759 [0,1,0,1,0,0|1,0,1]=4 13352 B15R1.179 C#CC(CCC)OCCCC1CCCC1 34a_200011217317_100011713738 [0,1,0,1,0,0|1,0,1]=4 13353 B15R1.179 C#CC(CCC)OCCCC1CCCC1 7a_200011217317_100011713738 [0,1,0,1,0,0|1,0,1]=4 13354 B15R1.179 C=CC(CCC)OCCCC1CCCC1 34a_100011216692_100011713738 [0,1,0,1,0,0|1,0,1]=4 13355 B15R1.179 C=CC(CCC)OCCCC1CCCC1 7a_100011216692_100011713738 [0,1,0,1,0,0|1,0,1]=4 13356 B15R1.179 CCCC(C#N)OCCCC1CCCC1 34a_100000686963_100011713738 [0,1,0,1,0,0|1,0,1]=4 13357 B15R1.179 CCCC(C#N)OCCCC1CCCC1 7a_100000686963_100011713738 [0,1,0,1,0,0|1,0,1]=4 13358 B15R1.179 CCCC(CC)OCCCC1CCCC1 34a_100000687864_100011713738 [0,1,0,1,0,0|1,0,1]=4 13359 B15R1.179 CCCC(CC)OCCCC1CCCC1 7a_100000687864_100011713738 [0,1,0,1,0,0|1,0,1]=4 13360 B15R1.179 CCCC(CC)OCCCC1CCCC1 7a_100011215328_100011219200 [0,1,0,1,0,0|1,0,1]=4 13361 B15R1.1306 C#CC(CCC)OCCC1CCCCC1 34a_200011217317_100011209188 [0,1,0,1,0,0|1,0,1]=4 13362 B15R1.1306 C#CC(CCC)OCCC1CCCCC1 7a_200011217317_100011273959 [0,1,0,1,0,0|1,0,1]=4 13363 B15R1.1306 C=CC(CCC)OCCC1CCCCC1 34a_100011216692_100011209188 [0,1,0,1,0,0|1,0,1]=4 13364 B15R1.1306 C=CC(CCC)OCCC1CCCCC1 7a_100011216692_100011273959 [0,1,0,1,0,0|1,0,1]=4 13365 B15R1.1306 CCCC(C#N)OCCC1CCCCC1 34a_100000686963_100011209188 [0,1,0,1,0,0|1,0,1]=4 13366 B15R1.1306 CCCC(C#N)OCCC1CCCCC1 7a_100000686963_100011273959 [0,1,0,1,0,0|1,0,1]=4 13367 B15R1.1306 CCCC(CC)OCCC1CCCCC1 34a_100000687864_100011209188 [0,1,0,1,0,0|1,0,1]=4 13368 B15R1.1306 CCCC(CC)OCCC1CCCCC1 7a_100000687864_100011273959 [0,1,0,1,0,0|1,0,1]=4 13369 B15R1.1306 CCCC(CC)OCCC1CCCCC1 7a_100011217863_100011219200 [0,1,0,1,0,0|1,0,1]=4 13370 B15R1.1938 CCCCCCCCOC(CC)C1CC1 34a_100011351122_100000210759 [0,1,0,1,0,0|1,0,1]=4 13371 B15R1.1938 CCCCCCCCOC(CC)C1CC1 7a_100011351122_100000210759 [0,1,0,1,0,0|1,0,1]=4 13372 B15R1.1938 CCCCCCCCOC(CN)C1CC1 34a_100000751198_100000210759 [0,1,0,1,0,0|1,0,1]=4 13373 B15R1.2621 CCCC(CC)OC1CCCCC1CC 7a_100000210738_100011219200 [0,1,0,1,0,0|1,0,1]=4 13374 B15R1.3515 C#CCCCCCCOC1CCCC1=O 34a_100011217361_100000709159 [0,1,0,1,0,0|0,0,2]=4 13375 B15R1.3515 C#CCCCCCCOC1CCCC1=O 34a_200000719330_100012276617 [0,1,0,1,0,0|0,0,2]=4 13376 B15R1.3515 C#CCCCCCCOC1CCCC1=O 7a_100011217361_100000211823 [0,1,0,1,0,0|0,0,2]=4 13377 B15R1.3515 C=CCCCCCCOC1CCCC1=O 34a_200000719330_100011215473 [0,1,0,1,0,0|0,0,2]=4 13378 B15R1.3515 C=CCCCCCCOC1CCCC1=O 34a_200011216477_100000709159 [0,1,0,1,0,0|0,0,2]=4 13379 B15R1.3515 C=CCCCCCCOC1CCCC1=O 7a_200011216477_100000211823 [0,1,0,1,0,0|0,0,2]=4 13380 B15R1.3515 CC/C=C\CCCCOC1CCCC1=O 34a_100016287862_100000709159 [0,1,0,1,0,0|0,0,2]=4 13381 B15R1.3515 CC/C=C\CCCCOC1CCCC1=O 7a_100016287862_100000211823 [0,1,0,1,0,0|0,0,2]=4 13382 B15R1.3515 CCCC/C=C\CCOC1CCCC1=O 34a_200016286491_100000709159 [0,1,0,1,0,0|0,0,2]=4 13383 B15R1.3515 CCCC/C=C\CCOC1CCCC1=O 7a_200016286491_100000211823 [0,1,0,1,0,0|0,0,2]=4 13384 B15R1.3515 CCCCC#CCCOC1CCCC1=O 34a_100000037610_100000709159 [0,1,0,1,0,0|0,0,2]=4 13385 B15R1.3515 CCCCC#CCCOC1CCCC1=O 7a_100000037610_100000211823 [0,1,0,1,0,0|0,0,2]=4 13386 B15R1.3515 CCCCC/C=C/COC1CCCC1=O 34a_100016258190_100000709159 [0,1,0,1,0,0|0,0,2]=4 13387 B15R1.3515 CCCCC/C=C/COC1CCCC1=O 7a_100016258190_100000211823 [0,1,0,1,0,0|0,0,2]=4 13388 B15R1.3515 CCCCCC#CCOC1CCCC1=O 34a_200000033628_100000709159 [0,1,0,1,0,0|0,0,2]=4 13389 B15R1.3515 CCCCCC#CCOC1CCCC1=O 34a_200000719330_100009816472 [0,1,0,1,0,0|0,0,2]=4 13390 B15R1.3515 CCCCCC#CCOC1CCCC1=O 7a_200000033628_100000211823 [0,1,0,1,0,0|0,0,2]=4 13391 B15R1.3515 CCCCCCCCNC1CCCC1=O 2230a_100000229939_100000211823 [0,1,0,1,0,0|1,0,0]=3 13392 B15R1.3515 CCCCCCCCNC1CCCC1=O 34a_100000229939_100000709159 [0,1,0,1,0,0|1,0,0]=3 13393 B15R1.3515 CCCCCCCCNC1CCNC1=O 2230a_100016995588_100000210759 [0,1,0,1,0,0|2,0,0]=4 13394 B15R1.3515 CCCCCCCCNC1CCNC1=O 34a_100016995588_100000210759 [0,1,0,1,0,0|2,0,0]=4 13395 B15R1.3515 CCCCCCCCNC1CCOC1=O 2230a_100000229939_100000211211 [0,1,0,1,0,0|2,0,0]=4 13396 B15R1.3515 CCCCCCCCNC1CCOC1=O 34a_100000229939_100000211211 [0,1,0,1,0,0|2,0,0]=4 13397 B15R1.3515 CCCCCCCCOC1CCCC1=O 34a_100000210232_100000709159 [0,1,0,1,0,0|0,0,0]=2 13398 B15R1.3515 CCCCCCCCOC1CCCC1=O 34a_200000719330_100000210759 [0,1,0,1,0,0|0,0,0]=2 13399 B15R1.3515 CCCCCCCCOC1CCCC1=O 7a_100000210232_100000211823 [0,1,0,1,0,0|0,0,0]=2 13400 B15R1.3515 CCCCCCCCOC1CCCC1C 34a_100011216460_100000210759 [0,1,0,1,0,0|1,0,1]=4 13401 B15R1.3515 CCCCCCCCOC1CCCC1C 7a_100011216460_100000210759 [0,1,0,1,0,0|1,0,1]=4 13402 B15R1.3515 CCCCCCCCOC1CCOC1=O 34a_100000210232_100000211211 [0,1,0,1,0,0|1,0,0]=3 13403 B15R1.3515 CCCCCCCCOC1CCOC1=O 7a_100000210232_100000211211 [0,1,0,1,0,0|1,0,0]=3 13404 B15R1.3515 CCCCCCCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000210759 [0,1,0,1,0,0|1,0,1]=4 13405 B15R1.3515 CCCCCCCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000210759 [0,1,0,1,0,0|1,0,1]=4 13406 B15R1.3515 CCCCCCCCO[C@H]1CCNC1=O 34a_100000688343_100000210759 [0,1,0,1,0,0|1,0,0]=3 13407 B15R1.3515 CCCCCCCCSC1CCCC1=O 62a_100000210759_100000211823 [0,1,0,1,0,0|0,1,0]=3 13408 B15R1.3515 CCCCCCCCSC1CCCC1=O 62a_100000211823_100000210317 [0,1,0,1,0,0|0,1,0]=3 13409 B15R1.3515 CCCCCCCCSC1CCOC1=O 62a_100000210759_100000211211 [0,1,0,1,0,0|1,1,0]=4 13410 B15R1.3515 CCCCCCCCSC1CCOC1=O 62a_100000211211_100000210317 [0,1,0,1,0,0|1,1,0]=4 13411 B15R1.3515 CCCCCCCOCC1=CCCC1=O 34a_100000087531_100000210614 [0,1,0,1,0,0|1,0,1]=4 13412 B15R1.3515 CCCCCCCOCC1CCNC1=O 34a_100000133458_100000210614 [0,1,0,1,0,0|2,0,0]=4 13413 B15R1.3515 CCCCCCCSCN1CCCC1=O 62a_100000026320_100000210316 [0,1,0,1,0,0|1,0,0]=3 13414 B15R1.3515 CCCCCCCSCN1CCCC1=O 62a_100000210614_100000026320 [0,1,0,1,0,0|1,0,0]=3 13415 B15R1.3515 CCCCCCNCCN1CCCC1=O 2230a_100000210581_100000739059 [0,1,0,1,0,0|1,0,0]=3 13416 B15R1.3515 CCCCCCNCCN1CCCC1=O 2230a_100011200922_100000210314 [0,1,0,1,0,0|1,0,0]=3 13417 B15R1.3515 CCCCCCNCCN1CCNC1=O 2230a_100000210581_100000090651 [0,1,0,1,0,0|2,0,0]=4 13418 B15R1.3515 CCCCCCNCCN1CCNC1=O 2230a_100011207550_100000210314 [0,1,0,1,0,0|2,0,0]=4 13419 B15R1.3515 CCCCCCOCCN1CCCC1=O 34a_100000210259_100000739059 [0,1,0,1,0,0|1,0,0]=3 13420 B15R1.3515 CCCCCCOCCN1CCCC1=O 34a_100000211209_100000210314 [0,1,0,1,0,0|1,0,0]=3 13421 B15R1.3515 CCCCCCOCCN1CCCC1=O 7a_100000210259_100000739059 [0,1,0,1,0,0|1,0,0]=3 13422 B15R1.3515 CCCCCCOCCN1CCCC1=O 7a_100000211209_100000210314 [0,1,0,1,0,0|1,0,0]=3 13423 B15R1.3515 CCCCCCOCCN1CCNC1=O 34a_100000216532_100000210314 [0,1,0,1,0,0|2,0,0]=4 13424 B15R1.3515 CCCCCCOCCN1CCNC1=O 7a_100000210259_100000090651 [0,1,0,1,0,0|2,0,0]=4 13425 B15R1.3515 CCCCCCSCCN1CCCC1=O 62a_100000210314_100000739059 [0,1,0,1,0,0|1,0,0]=3 13426 B15R1.3515 CCCCCCSCCN1CCCC1=O 62a_100000739059_100000210757 [0,1,0,1,0,0|1,0,0]=3 13427 B15R1.3515 CCCCCCSCCN1CCNC1=O 62a_100000090651_100000210757 [0,1,0,1,0,0|2,0,0]=4 13428 B15R1.3515 CCCCCCSCCN1CCNC1=O 62a_100000210314_100000090651 [0,1,0,1,0,0|2,0,0]=4 13429 B15R1.3515 CCCCCNCCCN1CCCC1=O 2230a_100000210347_100000210326 [0,1,0,1,0,0|1,0,0]=3 13430 B15R1.3515 CCCCCNCCCN1CCCC1=O 34a_100000210347_100000718602 [0,1,0,1,0,0|1,0,0]=3 13431 B15R1.3515 CCCCCNCCOC1CCCC1=O 34a_100000224656_100000709159 [0,1,0,1,0,0|1,0,0]=3 13432 B15R1.3515 CCCCCNCCOC1CCOC1=O 34a_100000224656_100000211211 [0,1,0,1,0,0|2,0,0]=4 13433 B15R1.3515 CCCCCOCCCN1CCCC1=O 34a_100011216539_100000718602 [0,1,0,1,0,0|1,0,0]=3 13434 B15R1.3515 CCCCCOCCCN1CCCC1=O 7a_100011216539_100000210326 [0,1,0,1,0,0|1,0,0]=3 13435 B15R1.3515 CCCCCOCCOC1CCCC1=O 34a_100011215259_100000709159 [0,1,0,1,0,0|1,0,0]=3 13436 B15R1.3515 CCCCCOCCOC1CCCC1=O 7a_100011215259_100000211823 [0,1,0,1,0,0|1,0,0]=3 13437 B15R1.3515 CCCCCOCCOC1CCOC1=O 34a_100011215259_100000211211 [0,1,0,1,0,0|2,0,0]=4 13438 B15R1.3515 CCCCCOCCOC1CCOC1=O 7a_100011215259_100000211211 [0,1,0,1,0,0|2,0,0]=4 13439 B15R1.3515 CCCCOCCCNC1CCCC1=O 2230a_200000211371_100000211823 [0,1,0,1,0,0|2,0,0]=4 13440 B15R1.3515 CCCCOCCCNC1CCCC1=O 34a_200000211371_100000709159 [0,1,0,1,0,0|2,0,0]=4 13441 B15R1.3515 CCCCOCCCOC1CCCC1=O 34a_200011215613_100000709159 [0,1,0,1,0,0|1,0,0]=3 13442 B15R1.3515 CCCCOCCCOC1CCCC1=O 7a_200011215613_100000211823 [0,1,0,1,0,0|1,0,0]=3 13443 B15R1.3515 CCCCOCCCOC1CCOC1=O 34a_200011215613_100000211211 [0,1,0,1,0,0|2,0,0]=4 13444 B15R1.3515 CCCCOCCCOC1CCOC1=O 7a_200011215613_100000211211 [0,1,0,1,0,0|2,0,0]=4 13445 B15R1.3515 CCCCOCCSCN1CCCC1=O 62a_100000026320_100000743108 [0,1,0,1,0,0|2,0,0]=4 13446 B15R1.3515 CCCCOCCSCN1CCCC1=O 62a_100000743108_100000026320 [0,1,0,1,0,0|2,0,0]=4 13447 B15R1.3515 CCCCOCNCCN1CCCC1=O 2230a_100011200922_100011995733 [0,1,0,1,0,0|2,0,0]=4 13448 B15R1.3515 CCCCOCOCCN1CCCC1=O 34a_100000211209_100011995733 [0,1,0,1,0,0|2,0,0]=4 13449 B15R1.3515 CCCCOCSCCN1CCCC1=O 62a_100000739059_100011995733 [0,1,0,1,0,0|2,0,0]=4 13450 B15R1.3515 CCCCOCSCCN1CCCC1=O 62a_100011995733_100000739059 [0,1,0,1,0,0|2,0,0]=4 13451 B15R1.3515 CCCOCCNCCN1CCCC1=O 2230a_100011200922_100011215938 [0,1,0,1,0,0|2,0,0]=4 13452 B15R1.3515 CCCOCCNCCN1CCCC1=O 2230a_100161115042_100000739059 [0,1,0,1,0,0|2,0,0]=4 13453 B15R1.3515 CCCOCCNCCN1CCCC1=O 34a_100161115042_100000739059 [0,1,0,1,0,0|2,0,0]=4 13454 B15R1.3515 CCCOCCOCCN1CCCC1=O 34a_100000211209_100011215938 [0,1,0,1,0,0|2,0,0]=4 13455 B15R1.3515 CCCOCCOCCN1CCCC1=O 34a_100000752267_100000739059 [0,1,0,1,0,0|2,0,0]=4 13456 B15R1.3515 CCCOCCOCCN1CCCC1=O 7a_100000211209_100011215938 [0,1,0,1,0,0|2,0,0]=4 13457 B15R1.3515 CCCOCCOCCN1CCCC1=O 7a_100000752267_100000739059 [0,1,0,1,0,0|2,0,0]=4 13458 B15R1.3515 CCCOCCSCCN1CCCC1=O 62a_100000739059_100011215938 [0,1,0,1,0,0|2,0,0]=4 13459 B15R1.3515 CCCOCCSCCN1CCCC1=O 62a_100011215938_100000739059 [0,1,0,1,0,0|2,0,0]=4 13460 B15R1.3515 CCCSCCNCCN1CCCC1=O 2230a_100020603323_100000739059 [0,1,0,1,0,0|2,0,0]=4 13461 B15R1.3515 CCCSCCOCCN1CCCC1=O 34a_200000230433_100000739059 [0,1,0,1,0,0|2,0,0]=4 13462 B15R1.3515 CCCSCCOCCN1CCCC1=O 7a_200000230433_100000739059 [0,1,0,1,0,0|2,0,0]=4 13463 B15R1.3515 CCOCCCNCCN1CCCC1=O 2230a_100000210961_100000739059 [0,1,0,1,0,0|2,0,0]=4 13464 B15R1.3515 CCOCCCNCCN1CCCC1=O 2230a_100011200922_100012232248 [0,1,0,1,0,0|2,0,0]=4 13465 B15R1.3515 CCOCCCNCCN1CCCC1=O 34a_100000210961_100000739059 [0,1,0,1,0,0|2,0,0]=4 13466 B15R1.3515 CCOCCCOCCN1CCCC1=O 34a_100000211209_100012232248 [0,1,0,1,0,0|2,0,0]=4 13467 B15R1.3515 CCOCCCOCCN1CCCC1=O 34a_100000757476_100000739059 [0,1,0,1,0,0|2,0,0]=4 13468 B15R1.3515 CCOCCCOCCN1CCCC1=O 7a_100000211209_100012232248 [0,1,0,1,0,0|2,0,0]=4 13469 B15R1.3515 CCOCCCOCCN1CCCC1=O 7a_100000757476_100000739059 [0,1,0,1,0,0|2,0,0]=4 13470 B15R1.3515 CCOCCCSCCN1CCCC1=O 62a_100000739059_100012232248 [0,1,0,1,0,0|2,0,0]=4 13471 B15R1.3515 CCOCCCSCCN1CCCC1=O 62a_100012232248_100000739059 [0,1,0,1,0,0|2,0,0]=4 13472 B15R1.3515 CCOCCNCCCN1CCCC1=O 2230a_100000210347_100011215890 [0,1,0,1,0,0|2,0,0]=4 13473 B15R1.3515 CCOCCNCCCN1CCCC1=O 34a_100000210347_100000210147 [0,1,0,1,0,0|2,0,0]=4 13474 B15R1.3515 CCOCCOCCCN1CCCC1=O 34a_100011216539_100000210147 [0,1,0,1,0,0|2,0,0]=4 13475 B15R1.3515 CCOCCOCCCN1CCCC1=O 7a_100011216539_100011215890 [0,1,0,1,0,0|2,0,0]=4 13476 B15R1.3515 CCOCCOCCOC1CCCC1=O 34a_100000210240_100000709159 [0,1,0,1,0,0|2,0,0]=4 13477 B15R1.3515 CCOCCOCCOC1CCCC1=O 34a_200000719330_100011211534 [0,1,0,1,0,0|2,0,0]=4 13478 B15R1.3515 CCOCCOCCOC1CCCC1=O 7a_100000210240_100000211823 [0,1,0,1,0,0|2,0,0]=4 13479 B15R1.3515 CCSCCCOCCN1CCCC1=O 34a_100011216438_100000739059 [0,1,0,1,0,0|2,0,0]=4 13480 B15R1.3515 CCSCCCOCCN1CCCC1=O 7a_100011216438_100000739059 [0,1,0,1,0,0|2,0,0]=4 13481 B15R1.3515 CCSCCNCCCN1CCCC1=O 2230a_100000210347_100000757381 [0,1,0,1,0,0|2,0,0]=4 13482 B15R1.3515 CCSCCNCCCN1CCCC1=O 34a_100000210347_100000757381 [0,1,0,1,0,0|2,0,0]=4 13483 B15R1.3515 CCSCCOCCCN1CCCC1=O 34a_100011216539_100000757381 [0,1,0,1,0,0|2,0,0]=4 13484 B15R1.3515 CCSCCOCCCN1CCCC1=O 7a_100011216539_100000757381 [0,1,0,1,0,0|2,0,0]=4 13485 B15R1.3515 COCCCCCCOC1CCCC1=O 34a_200000719330_100011998445 [0,1,0,1,0,0|1,0,0]=3 13486 B15R1.3515 COCCCCCCOC1CCCC1=O 34a_200012092642_100000709159 [0,1,0,1,0,0|1,0,0]=3 13487 B15R1.3515 COCCCCCCOC1CCCC1=O 7a_200012092642_100000211823 [0,1,0,1,0,0|1,0,0]=3 13488 B15R1.3515 COCCCCCCOC1CCOC1=O 34a_200012092642_100000211211 [0,1,0,1,0,0|2,0,0]=4 13489 B15R1.3515 COCCCCCCOC1CCOC1=O 7a_200012092642_100000211211 [0,1,0,1,0,0|2,0,0]=4 13490 B15R1.3515 COCCCCCCO[C@H]1CCNC1=O 34a_100000688343_100011998445 [0,1,0,1,0,0|2,0,0]=4 13491 B15R1.3515 COCCCCCCSC1CCCC1=O 62a_100000211823_100011998445 [0,1,0,1,0,0|1,1,0]=4 13492 B15R1.3515 COCCCCCCSC1CCCC1=O 62a_100011998445_100000211823 [0,1,0,1,0,0|1,1,0]=4 13493 B15R1.3515 COCCCCNCCN1CCCC1=O 2230a_100011200922_100000730899 [0,1,0,1,0,0|2,0,0]=4 13494 B15R1.3515 COCCCCOCCN1CCCC1=O 34a_100000211209_100000755781 [0,1,0,1,0,0|2,0,0]=4 13495 B15R1.3515 COCCCCOCCN1CCCC1=O 34a_100000740925_100000739059 [0,1,0,1,0,0|2,0,0]=4 13496 B15R1.3515 COCCCCOCCN1CCCC1=O 7a_100000211209_100000730899 [0,1,0,1,0,0|2,0,0]=4 13497 B15R1.3515 COCCCCSCCN1CCCC1=O 62a_100000730899_100000739059 [0,1,0,1,0,0|2,0,0]=4 13498 B15R1.3515 COCCCCSCCN1CCCC1=O 62a_100000739059_100000730899 [0,1,0,1,0,0|2,0,0]=4 13499 B15R1.3515 COCCCNCCCN1CCCC1=O 2230a_100000210347_100000740836 [0,1,0,1,0,0|2,0,0]=4 13500 B15R1.3515 COCCCNCCCN1CCCC1=O 34a_100000210347_100000740836 [0,1,0,1,0,0|2,0,0]=4 13501 B15R1.3515 COCCCOCCCN1CCCC1=O 34a_100011216539_100000740836 [0,1,0,1,0,0|2,0,0]=4 13502 B15R1.3515 COCCCOCCCN1CCCC1=O 7a_100011216539_100000740836 [0,1,0,1,0,0|2,0,0]=4 13503 B15R1.3515 COCCOCCCOC1CCCC1=O 34a_200000719330_100011216529 [0,1,0,1,0,0|2,0,0]=4 13504 B15R1.3515 CSCCCCOCCN1CCCC1=O 34a_100011217163_100000739059 [0,1,0,1,0,0|2,0,0]=4 13505 B15R1.3515 CSCCCCOCCN1CCCC1=O 7a_100011217163_100000739059 [0,1,0,1,0,0|2,0,0]=4 13506 B15R1.3515 NCCCCCCCOC1CCCC1=O 34a_100011996573_100000709159 [0,1,0,1,0,0|1,0,0]=3 13507 B15R1.3515 NCCCCCCCOC1CCOC1=O 34a_100011996573_100000211211 [0,1,0,1,0,0|2,0,0]=4 13508 B15R1.3515 NCCCCCOCCN1CCCC1=O 34a_100000762737_100000739059 [0,1,0,1,0,0|2,0,0]=4 13509 B15R1.3515 NCCCOCCCOC1CCCC1=O 34a_100011310245_100000709159 [0,1,0,1,0,0|2,0,0]=4 13510 B15R1.3515 O=C1CCCC1NCCCCCCCO 2230a_100011996573_100000211823 [0,1,0,1,0,0|2,0,0]=4 13511 B15R1.3515 O=C1CCCC1NCCCCCCCO 34a_100011996573_100000709159 [0,1,0,1,0,0|2,0,0]=4 13512 B15R1.3515 O=C1CCCC1OCCCCCCCBr 34a_100000760002_100000709159 [0,1,0,1,0,0|1,0,0]=3 13513 B15R1.3515 O=C1CCCC1OCCCCCCCBr 7a_100000760002_100000211823 [0,1,0,1,0,0|1,0,0]=3 13514 B15R1.3515 O=C1CCCC1OCCCCCCCO 34a_200000719330_100000760002 [0,1,0,1,0,0|1,0,0]=3 13515 B15R1.3515 O=C1CCCC1SCCCCCCCO 62a_100000211823_100000760002 [0,1,0,1,0,0|1,1,0]=4 13516 B15R1.3515 O=C1CCCC1SCCCCCCCO 62a_100000760002_100000211823 [0,1,0,1,0,0|1,1,0]=4 13517 B15R1.3515 O=C1CCCN1CCCNCCCCF 2230a_100000210347_100000729493 [0,1,0,1,0,0|2,0,0]=4 13518 B15R1.3515 O=C1CCCN1CCCNCCCCF 34a_100000210347_100000729493 [0,1,0,1,0,0|2,0,0]=4 13519 B15R1.3515 O=C1CCCN1CCCNCCCCO 2230a_100000210347_100000210776 [0,1,0,1,0,0|2,0,0]=4 13520 B15R1.3515 O=C1CCCN1CCCNCCCCO 34a_100000210347_100011216708 [0,1,0,1,0,0|2,0,0]=4 13521 B15R1.3515 O=C1CCCN1CCCOCCCCF 34a_100011216539_100000729493 [0,1,0,1,0,0|2,0,0]=4 13522 B15R1.3515 O=C1CCCN1CCCOCCCCF 7a_100011216539_100000729493 [0,1,0,1,0,0|2,0,0]=4 13523 B15R1.3515 O=C1CCCN1CCCOCCCCO 34a_100011216539_100011216708 [0,1,0,1,0,0|2,0,0]=4 13524 B15R1.3515 O=C1CCCN1CCCOCCCCO 7a_100011216539_100000210776 [0,1,0,1,0,0|2,0,0]=4 13525 B15R1.3515 O=C1CCCN1CCNCCCCCF 2230a_100011200922_100000729378 [0,1,0,1,0,0|2,0,0]=4 13526 B15R1.3515 O=C1CCCN1CCNCCCCCO 2230a_100000762737_100000739059 [0,1,0,1,0,0|2,0,0]=4 13527 B15R1.3515 O=C1CCCN1CCNCCCCCO 2230a_100011200922_100000746330 [0,1,0,1,0,0|2,0,0]=4 13528 B15R1.3515 O=C1CCCN1CCNCCCCCO 34a_100000762737_100000739059 [0,1,0,1,0,0|2,0,0]=4 13529 B15R1.3515 O=C1CCCN1CCOCCCCCBr 34a_100000746331_100000739059 [0,1,0,1,0,0|2,0,0]=4 13530 B15R1.3515 O=C1CCCN1CCOCCCCCBr 7a_100000746331_100000739059 [0,1,0,1,0,0|2,0,0]=4 13531 B15R1.3515 O=C1CCCN1CCOCCCCCCl 34a_100000746330_100000739059 [0,1,0,1,0,0|2,0,0]=4 13532 B15R1.3515 O=C1CCCN1CCOCCCCCCl 7a_100000746330_100000739059 [0,1,0,1,0,0|2,0,0]=4 13533 B15R1.3515 O=C1CCCN1CCOCCCCCF 34a_100000211209_100000729378 [0,1,0,1,0,0|2,0,0]=4 13534 B15R1.3515 O=C1CCCN1CCOCCCCCF 7a_100000211209_100000729378 [0,1,0,1,0,0|2,0,0]=4 13535 B15R1.3515 O=C1CCCN1CCOCCCCCI 34a_200012148887_100000739059 [0,1,0,1,0,0|2,0,0]=4 13536 B15R1.3515 O=C1CCCN1CCOCCCCCI 7a_200012148887_100000739059 [0,1,0,1,0,0|2,0,0]=4 13537 B15R1.3515 O=C1CCCN1CCOCCCCCO 34a_100000211209_100000746330 [0,1,0,1,0,0|2,0,0]=4 13538 B15R1.3515 O=C1CCCN1CCOCCCCCO 7a_100000211209_100000746330 [0,1,0,1,0,0|2,0,0]=4 13539 B15R1.3515 O=C1CCCN1CCSCCCCCF 62a_100000729378_100000739059 [0,1,0,1,0,0|2,0,0]=4 13540 B15R1.3515 O=C1CCCN1CCSCCCCCF 62a_100000739059_100000729378 [0,1,0,1,0,0|2,0,0]=4 13541 B15R1.3515 O=C1CCCN1CCSCCCCCO 62a_100000739059_100000746330 [0,1,0,1,0,0|2,0,0]=4 13542 B15R1.3515 O=C1CCCN1CCSCCCCCO 62a_100000746330_100000739059 [0,1,0,1,0,0|2,0,0]=4 13543 B15R1.3515 O=C1CCCN1CSCCCCCCF 62a_100000026320_100015922095 [0,1,0,1,0,0|2,0,0]=4 13544 B15R1.3515 O=C1CCCN1CSCCCCCCF 62a_100015922095_100000026320 [0,1,0,1,0,0|2,0,0]=4 13545 B15R1.3515 O=C1CCCN1CSCCCCCCO 62a_100000026320_100000766143 [0,1,0,1,0,0|2,0,0]=4 13546 B15R1.3515 O=C1CCCN1CSCCCCCCO 62a_100000766143_100000026320 [0,1,0,1,0,0|2,0,0]=4 13547 B15R1.3515 O=C1NCC[C@@H]1OCCCCCCCO 34a_100000688343_100000760002 [0,1,0,1,0,0|2,0,0]=4 13548 B15R1.3515 O=C1OCCC1OCCCCCCCBr 34a_100000760002_100000211211 [0,1,0,1,0,0|2,0,0]=4 13549 B15R1.3515 O=C1OCCC1OCCCCCCCBr 7a_100000760002_100000211211 [0,1,0,1,0,0|2,0,0]=4 13550 B15R1.6093 C#CC(CCC)OCC1CCCCCC1 34a_200011217317_200000696569 [0,1,0,1,0,0|1,0,1]=4 13551 B15R1.6093 C#CC(CCC)OCC1CCCCCC1 7a_200011217317_200000696569 [0,1,0,1,0,0|1,0,1]=4 13552 B15R1.6093 C=CC(CCC)OCC1CCCCCC1 34a_100011216692_200000696569 [0,1,0,1,0,0|1,0,1]=4 13553 B15R1.6093 C=CC(CCC)OCC1CCCCCC1 7a_100011216692_200000696569 [0,1,0,1,0,0|1,0,1]=4 13554 B15R1.6093 CCCC(C#N)OCC1CCCCCC1 34a_100000686963_200000696569 [0,1,0,1,0,0|1,0,1]=4 13555 B15R1.6093 CCCC(C#N)OCC1CCCCCC1 7a_100000686963_200000696569 [0,1,0,1,0,0|1,0,1]=4 13556 B15R1.6093 CCCC(CC)OCC1CCCCCC1 34a_100000687864_200000696569 [0,1,0,1,0,0|1,0,1]=4 13557 B15R1.6093 CCCC(CC)OCC1CCCCCC1 7a_100000687864_200000696569 [0,1,0,1,0,0|1,0,1]=4 13558 B15R1.6093 CCCC(CC)OCC1CCCCCC1 7a_100000699130_100011219200 [0,1,0,1,0,0|1,0,1]=4 13559 B15R1.6300 CCCC(CC)OC1CCCCCCC1 7a_100000210054_100011219200 [0,1,0,1,0,0|1,0,1]=4 13560 B15R1.127 CCCCC(C)OCC1CCCC(=O)N1 34a_200000102386_200011215066 [0,1,0,1,0,0|2,0,0]=4 13561 B15R1.778 CCCC(=O)CCCCC1CCCCC1 1458a_200011215547_100000210303 [0,1,0,1,0,0|1,0,0]=3 13562 B15R1.778 CCCC(=O)CCCCN1CCCCC1 1458a_100000754417_100000210303 [0,1,0,1,0,0|1,0,0]=3 13563 B15R1.778 CCCC(=O)CCCOC1CCCCO1 1458a_100000211992_100000700653 [0,1,0,1,0,0|2,0,0]=4 13564 B15R1.778 CCCC(=O)CNCCC1CCCCC1 2230a_100000738074_100000747444 [0,1,0,1,0,0|1,0,0]=3 13565 B15R1.778 CCCC(=O)CNCCC1CCCCO1 2230a_100015183643_100000747444 [0,1,0,1,0,0|2,0,0]=4 13566 B15R1.778 CCCC(=O)CNCCC1CCOCC1 2230a_100000755988_100000747444 [0,1,0,1,0,0|2,0,0]=4 13567 B15R1.778 CCCC(=O)COCCC1CCCCC1 7a_100011217863_100000747444 [0,1,0,1,0,0|0,0,0]=2 13568 B15R1.778 CCCC(=O)COCCC1CCOCC1 7a_100011933979_100000747444 [0,1,0,1,0,0|1,0,0]=3 13569 B15R1.778 CCCC(=O)COCCC1SCCCS1 7a_200011025297_100000747444 [0,1,0,1,0,0|2,0,0]=4 13570 B15R1.778 CCCC(=O)COCCN1CCSCC1 7a_100000686052_100000747444 [0,1,0,1,0,0|2,0,0]=4 13571 B15R1.778 CCCC(=O)CSCCC1CCCCC1 62a_100000747444_100012355289 [0,1,0,1,0,0|0,1,0]=3 13572 B15R1.778 CCCC(=O)CSCCC1CCCCC1 62a_100012355289_100000747444 [0,1,0,1,0,0|0,1,0]=3 13573 B15R1.778 CCCC(=O)CSCCC1CCOCC1 62a_100000747444_100011934994 [0,1,0,1,0,0|1,1,0]=4 13574 B15R1.778 CCCC(=O)CSCCC1CCOCC1 62a_100011934994_100000747444 [0,1,0,1,0,0|1,1,0]=4 13575 B15R1.778 CCCC(=O)CSCCN1CCCCC1 62a_100000739454_100000747444 [0,1,0,1,0,0|1,1,0]=4 13576 B15R1.778 CCCC(=O)CSCCN1CCCCC1 62a_100000747444_100000739454 [0,1,0,1,0,0|1,1,0]=4 13577 B15R1.778 CCCC(=O)CSCOC1CCCCC1 62a_100000747444_100011935260 [0,1,0,1,0,0|1,1,0]=4 13578 B15R1.778 CCCC(=O)CSCOC1CCCCC1 62a_100011935260_100000747444 [0,1,0,1,0,0|1,1,0]=4 13579 B15R1.778 CCCC(=O)NCCCC1CCCCC1 11a_100011211642_100000211992 [0,1,0,1,0,0|1,0,0]=3 13580 B15R1.778 CCCC(=O)NCCCC1CCCCC1 1626a_100011211642_100000211992 [0,1,0,1,0,0|1,0,0]=3 13581 B15R1.778 CCCC(=O)NCCCC1CCCCC1 240690a_100011211642_100000211992 [0,1,0,1,0,0|1,0,0]=3 13582 B15R1.778 CCCC(=O)NCCCC1CCCCC1 527a_100011211642_100000211992 [0,1,0,1,0,0|1,0,0]=3 13583 B15R1.778 CCCC(=O)NCCCN1CCCCC1 240690a_100000204581_100000211992 [0,1,0,1,0,0|1,0,0]=3 13584 B15R1.778 CCCC(=O)NCCCN1CCCCC1 527a_100000204581_100000211992 [0,1,0,1,0,0|1,0,0]=3 13585 B15R1.778 CCCC(=O)NCCCN1CCOCC1 240690a_100000210481_100000211992 [0,1,0,1,0,0|2,0,0]=4 13586 B15R1.778 CCCC(=O)NCCCN1CCOCC1 527a_100000210481_100000211992 [0,1,0,1,0,0|2,0,0]=4 13587 B15R1.778 CCCC(=O)NCCOC1CCCCC1 11a_100015206981_100000211992 [0,1,0,1,0,0|1,0,0]=3 13588 B15R1.778 CCCC(=O)NCCOC1CCCCC1 1626a_100015206981_100000211992 [0,1,0,1,0,0|1,0,0]=3 13589 B15R1.778 CCCC(=O)NCCOC1CCCCC1 240690a_100015206981_100000211992 [0,1,0,1,0,0|1,0,0]=3 13590 B15R1.778 CCCC(=O)NCCOC1CCCCC1 527a_100015206981_100000211992 [0,1,0,1,0,0|1,0,0]=3 13591 B15R1.778 CCCC(=O)NN=CCC1CCCCC1 4a_100000189770_100011713444 [0,1,0,1,0,0|1,0,1]=4 13592 B15R1.778 CCCC(=O)NNCCN1CCCCC1 22a_100000739400_100000211992 [0,1,0,1,0,0|2,0,0]=4 13593 B15R1.778 CCCC(=O)OCNCC1CCCCC1 2230a_100000210473_100000034017 [0,1,0,1,0,0|0,0,0]=2 13594 B15R1.778 CCCC(=O)OCNCC1CCCCC1 34a_100000210473_100000034017 [0,1,0,1,0,0|0,0,0]=2 13595 B15R1.778 CCCC(=O)OCNCC1CCCCO1 2230a_100000174945_100000034017 [0,1,0,1,0,0|1,0,0]=3 13596 B15R1.778 CCCC(=O)OCNCC1CCCCO1 34a_100000174945_100000034017 [0,1,0,1,0,0|1,0,0]=3 13597 B15R1.778 CCCC(=O)OCNCC1CCCOC1 2230a_100000720124_100000034017 [0,1,0,1,0,0|1,0,0]=3 13598 B15R1.778 CCCC(=O)OCNCC1CCCOC1 34a_100000720124_100000034017 [0,1,0,1,0,0|1,0,0]=3 13599 B15R1.778 CCCC(=O)OCNCC1CCOCC1 2230a_100000746373_100000034017 [0,1,0,1,0,0|1,0,0]=3 13600 B15R1.778 CCCC(=O)OCNCC1CCOCC1 34a_100000746373_100000034017 [0,1,0,1,0,0|1,0,0]=3 13601 B15R1.778 CCCC(=O)OCNCC1CCSCC1 2230a_100015188806_100000034017 [0,1,0,1,0,0|1,0,0]=3 13602 B15R1.778 CCCC(=O)OCNCC1CCSCC1 34a_100015188806_100000034017 [0,1,0,1,0,0|1,0,0]=3 13603 B15R1.778 CCCC(=O)OCNC[C@H]1COCCO1 2230a_100010981119_100000034017 [0,1,0,1,0,0|2,0,0]=4 13604 B15R1.778 CCCC(=O)OCNC[C@H]1COCCO1 34a_100010981119_100000034017 [0,1,0,1,0,0|2,0,0]=4 13605 B15R1.778 CCCC(=O)OCOCC1CC=CCC1 34a_100000210713_100000034017 [0,1,0,1,0,0|0,0,2]=4 13606 B15R1.778 CCCC(=O)OCOCC1CCCCC1 34a_100000212181_100000034017 [0,1,0,1,0,0|0,0,0]=2 13607 B15R1.778 CCCC(=O)OCOCC1CCCCN1 34a_100000210821_100000034017 [0,1,0,1,0,0|1,0,0]=3 13608 B15R1.778 CCCC(=O)OCOCC1CCCCO1 34a_100000211370_100000034017 [0,1,0,1,0,0|1,0,0]=3 13609 B15R1.778 CCCC(=O)OCOCC1CCCNC1 34a_100000211344_100000034017 [0,1,0,1,0,0|1,0,0]=3 13610 B15R1.778 CCCC(=O)OCOCC1CCCOC1 34a_100000741520_100000034017 [0,1,0,1,0,0|1,0,0]=3 13611 B15R1.778 CCCC(=O)OCOCC1CCNCC1 34a_100000738675_100000034017 [0,1,0,1,0,0|1,0,0]=3 13612 B15R1.778 CCCC(=O)OCOCC1CCOCC1 34a_100000749013_100000034017 [0,1,0,1,0,0|1,0,0]=3 13613 B15R1.778 CCCC(=O)OCOCC1CCSCC1 34a_100000070558_100000034017 [0,1,0,1,0,0|1,0,0]=3 13614 B15R1.778 CCCC(=O)OCOC[C@@H]1CNCCO1 34a_100015189573_100000034017 [0,1,0,1,0,0|2,0,0]=4 13615 B15R1.778 CCCC(=O)OCOC[C@@H]1COCCN1 34a_100000717676_100000034017 [0,1,0,1,0,0|2,0,0]=4 13616 B15R1.778 CCCC(=O)OCOC[C@H]1COCCO1 34a_100009875890_100000034017 [0,1,0,1,0,0|2,0,0]=4 13617 B15R1.778 CCCC(=O)OCSCC1CCCCC1 62a_100000211423_100000034017 [0,1,0,1,0,0|0,0,0]=2 13618 B15R1.778 CCCC(=O)OCSCC1CCCCO1 62a_100000211543_100000034017 [0,1,0,1,0,0|1,0,0]=3 13619 B15R1.778 CCCC(=O)OCSCC1CCCOC1 62a_100000741521_100000034017 [0,1,0,1,0,0|1,0,0]=3 13620 B15R1.778 CCCC(=O)OCSCC1CCOCC1 62a_100000754603_100000034017 [0,1,0,1,0,0|1,0,0]=3 13621 B15R1.778 CCCC(C)COCCC1CCCCC1 34a_100000688023_100011209188 [0,1,0,1,0,0|1,0,1]=4 13622 B15R1.778 CCCC(C)COCCC1CCCCC1 34a_100011217863_100011216630 [0,1,0,1,0,0|1,0,1]=4 13623 B15R1.778 CCCC(C)COCCC1CCCCC1 7a_100000688023_100011273959 [0,1,0,1,0,0|1,0,1]=4 13624 B15R1.778 CCCC(C)COCCC1CCCCC1 7a_100011217863_100011216630 [0,1,0,1,0,0|1,0,1]=4 13625 B15R1.778 CCCC(C)OCCCC1CCCCC1 34a_100000198086_100000766640 [0,1,0,1,0,0|1,0,1]=4 13626 B15R1.778 CCCC(C)OCCCC1CCCCC1 34a_100000764384_100011713725 [0,1,0,1,0,0|1,0,1]=4 13627 B15R1.778 CCCC(C)OCCCC1CCCCC1 7a_100000198086_100000766640 [0,1,0,1,0,0|1,0,1]=4 13628 B15R1.778 CCCC(C)OCCCC1CCCCC1 7a_100000764384_100011713725 [0,1,0,1,0,0|1,0,1]=4 13629 B15R1.778 CCCC(C)OCCCC1CCCCN1 34a_100011934581_100000766640 [0,1,0,1,0,0|1,0,1]=4 13630 B15R1.778 CCCC(C)OCCCC1CCCNC1 34a_100150707839_100000766640 [0,1,0,1,0,0|1,0,1]=4 13631 B15R1.778 CCCC(C)OCCCC1CCNCC1 34a_100016988962_100000766640 [0,1,0,1,0,0|1,0,1]=4 13632 B15R1.778 CCCC(C)OCCCN1CCCCC1 34a_100000212458_100000766640 [0,1,0,1,0,0|1,0,1]=4 13633 B15R1.778 CCCC(C)OCCCN1CCCCC1 34a_100000764384_100000690320 [0,1,0,1,0,0|1,0,1]=4 13634 B15R1.778 CCCC(C)OCCCN1CCCCC1 7a_100000764384_100000007876 [0,1,0,1,0,0|1,0,1]=4 13635 B15R1.778 CCCC(C)OCCNC1CCCCC1 34a_100000200466_100000766640 [0,1,0,1,0,0|1,0,1]=4 13636 B15R1.778 CCCC(C)OCCOC1CCCCC1 34a_100000764384_100011211530 [0,1,0,1,0,0|1,0,1]=4 13637 B15R1.778 CCCC(C)OCCOC1CCCCC1 34a_100011249652_100000766640 [0,1,0,1,0,0|1,0,1]=4 13638 B15R1.778 CCCC(C)OCCOC1CCCCC1 7a_100000764384_100011211530 [0,1,0,1,0,0|1,0,1]=4 13639 B15R1.778 CCCC(C)OCCOC1CCCCC1 7a_100011249652_100000766640 [0,1,0,1,0,0|1,0,1]=4 13640 B15R1.778 CCC[C@H](N)COCCC1CCCCC1 34a_100000732646_100011209188 [0,1,0,1,0,0|1,0,1]=4 13641 B15R1.778 CCNC(=O)CCCCC1CCCCC1 11a_100015525214_200011215547 [0,1,0,1,0,0|2,0,0]=4 13642 B15R1.778 CCNC(=O)CCCCC1CCCCC1 240690a_100015525214_200011215547 [0,1,0,1,0,0|2,0,0]=4 13643 B15R1.778 CCNC(=O)CCCCC1CCCCC1 527a_100015525214_200011215547 [0,1,0,1,0,0|2,0,0]=4 13644 B15R1.778 CCNC(=O)CCCCN1CCCCC1 11a_100015525214_100000754417 [0,1,0,1,0,0|2,0,0]=4 13645 B15R1.778 CCNC(=O)CCCCN1CCCCC1 240690a_100015525214_100000754417 [0,1,0,1,0,0|2,0,0]=4 13646 B15R1.778 CCNC(=O)CCNCC1CCCCC1 2230a_100000210473_100000737597 [0,1,0,1,0,0|2,0,0]=4 13647 B15R1.778 CCNC(=O)CCNCC1CCCCC1 269862a_100025743525_100000211278 [0,1,0,1,0,0|2,0,0]=4 13648 B15R1.778 CCNC(=O)CCNCC1CCCCC1 34a_100025743525_100000211423 [0,1,0,1,0,0|2,0,0]=4 13649 B15R1.778 CCNC(=O)CCOCC1CCCCC1 7a_100000212181_100000737597 [0,1,0,1,0,0|2,0,0]=4 13650 B15R1.778 CCNC(=O)CCSCC1CCCCC1 62a_100000211423_100000737597 [0,1,0,1,0,0|2,0,0]=4 13651 B15R1.778 CCNC(=O)CCSCC1CCCCC1 62a_100000737597_100000211423 [0,1,0,1,0,0|2,0,0]=4 13652 B15R1.778 CCNC(=O)CNCCC1CCCCC1 2230a_100000738074_100000183381 [0,1,0,1,0,0|2,0,0]=4 13653 B15R1.778 CCNC(=O)CNCCC1CCCCC1 2230a_100016988866_100012355289 [0,1,0,1,0,0|2,0,0]=4 13654 B15R1.778 CCNC(=O)CNCCC1CCCCC1 270004a_100016988866_100011713444 [0,1,0,1,0,0|2,0,0]=4 13655 B15R1.778 CCNC(=O)CNCCC1CCCCC1 34a_100000738074_100000183381 [0,1,0,1,0,0|2,0,0]=4 13656 B15R1.778 CCNC(=O)COCCC1CCCCC1 34a_100011217863_100000183381 [0,1,0,1,0,0|1,0,0]=3 13657 B15R1.778 CCNC(=O)COCCC1CCCCC1 7a_100011217863_100000183381 [0,1,0,1,0,0|1,0,0]=3 13658 B15R1.778 CCNC(=O)COCCC1CCCCN1 34a_100000211664_100000183381 [0,1,0,1,0,0|2,0,0]=4 13659 B15R1.778 CCNC(=O)COCCC1CCCNC1 34a_100000752241_100000183381 [0,1,0,1,0,0|2,0,0]=4 13660 B15R1.778 CCNC(=O)COCCC1CCNCC1 34a_100015190746_100000183381 [0,1,0,1,0,0|2,0,0]=4 13661 B15R1.778 CCNC(=O)COCCC1CCOCC1 34a_100011933979_100000183381 [0,1,0,1,0,0|2,0,0]=4 13662 B15R1.778 CCNC(=O)COCCC1CCOCC1 7a_100011933979_100000183381 [0,1,0,1,0,0|2,0,0]=4 13663 B15R1.778 CCNC(=O)CSCCC1CCCCC1 62a_100000183381_100012355289 [0,1,0,1,0,0|1,1,0]=4 13664 B15R1.778 CCNC(=O)CSCCC1CCCCC1 62a_100012355289_100000183381 [0,1,0,1,0,0|1,1,0]=4 13665 B15R1.778 CCNC(=O)NCCCC1CCCCC1 2708a_100011211642_100015525214 [0,1,0,1,0,0|2,0,0]=4 13666 B15R1.778 CCNC(=O)NCCCC1CCCCC1 2708a_100015525214_100011211642 [0,1,0,1,0,0|2,0,0]=4 13667 B15R1.778 CCNC(=O)NCCCC1CCCCC1 273464a_100011211642_100015525214 [0,1,0,1,0,0|2,0,0]=4 13668 B15R1.778 CCNC(=O)NCCCC1CCCCC1 273464a_100015525214_100011211642 [0,1,0,1,0,0|2,0,0]=4 13669 B15R1.778 CCNC(=O)NCCCC1CCCCC1 512a_100011211642_100015525214 [0,1,0,1,0,0|2,0,0]=4 13670 B15R1.778 CCNC(=O)NCCCC1CCCCC1 512a_100015525214_100011211642 [0,1,0,1,0,0|2,0,0]=4 13671 B15R1.778 CCNC(=O)NCCCN1CCCCC1 2708a_100000204581_100015525214 [0,1,0,1,0,0|2,0,0]=4 13672 B15R1.778 CCNC(=O)NCCCN1CCCCC1 2708a_100015525214_100000204581 [0,1,0,1,0,0|2,0,0]=4 13673 B15R1.778 CCNC(=O)NCCCN1CCCCC1 273464a_100000204581_100015525214 [0,1,0,1,0,0|2,0,0]=4 13674 B15R1.778 CCNC(=O)NCCCN1CCCCC1 273464a_100015525214_100000204581 [0,1,0,1,0,0|2,0,0]=4 13675 B15R1.778 CCNC(=O)NCCOC1CCCCC1 2708a_100015206981_100015525214 [0,1,0,1,0,0|2,0,0]=4 13676 B15R1.778 CCNC(=O)NCCOC1CCCCC1 2708a_100015525214_100015206981 [0,1,0,1,0,0|2,0,0]=4 13677 B15R1.778 CCNC(=O)NCCOC1CCCCC1 273464a_100015206981_100015525214 [0,1,0,1,0,0|2,0,0]=4 13678 B15R1.778 CCNC(=O)NCCOC1CCCCC1 273464a_100015525214_100015206981 [0,1,0,1,0,0|2,0,0]=4 13679 B15R1.778 CCNC(=O)NCCOC1CCCCC1 512a_100015206981_100015525214 [0,1,0,1,0,0|2,0,0]=4 13680 B15R1.778 CCNC(=O)NCCOC1CCCCC1 512a_100015525214_100015206981 [0,1,0,1,0,0|2,0,0]=4 13681 B15R1.778 CCOC(=O)CCCNC1CCCCC1 2230a_100000182618_100009991533 [0,1,0,1,0,0|2,0,0]=4 13682 B15R1.778 CCOC(=O)CCCNC1CCCCC1 34a_100000182618_100009991533 [0,1,0,1,0,0|2,0,0]=4 13683 B15R1.778 CCOC(=O)CCCOC1CCCCC1 34a_100000210231_100009991533 [0,1,0,1,0,0|2,0,0]=4 13684 B15R1.778 CCOC(=O)CCCOC1CCCCC1 7a_100000210231_100011215271 [0,1,0,1,0,0|2,0,0]=4 13685 B15R1.778 CCOC(=O)CCCOC1CCCCC1 7a_100012001163_100000210327 [0,1,0,1,0,0|2,0,0]=4 13686 B15R1.778 CCOC(=O)CCCSC1CCCCC1 62a_100000210327_100009991533 [0,1,0,1,0,0|2,0,0]=4 13687 B15R1.778 CCOC(=O)CCCSC1CCCCC1 62a_100009991533_100000210327 [0,1,0,1,0,0|2,0,0]=4 13688 B15R1.778 CCOC(=O)CCNCC1CCCCC1 2230a_100000210473_100011206558 [0,1,0,1,0,0|2,0,0]=4 13689 B15R1.778 CCOC(=O)CCNCC1CCCCC1 34a_100000210473_100000765890 [0,1,0,1,0,0|2,0,0]=4 13690 B15R1.778 CCOC(=O)CCOCC1CCCCC1 34a_100000212181_100000765890 [0,1,0,1,0,0|2,0,0]=4 13691 B15R1.778 CCOC(=O)CCOCC1CCCCC1 7a_100000212181_100011206558 [0,1,0,1,0,0|2,0,0]=4 13692 B15R1.778 CCOC(=O)CCSCC1CCCCC1 62a_100000211423_100000765890 [0,1,0,1,0,0|2,0,0]=4 13693 B15R1.778 CCOC(=O)CCSCC1CCCCC1 62a_100000765890_100000211423 [0,1,0,1,0,0|2,0,0]=4 13694 B15R1.778 CCOC(=O)CNCCC1CCCCC1 2230a_100000738074_100000188475 [0,1,0,1,0,0|2,0,0]=4 13695 B15R1.778 CCOC(=O)CNCCC1CCCCC1 34a_100000738074_100000188475 [0,1,0,1,0,0|2,0,0]=4 13696 B15R1.778 CCOC(=O)COCCC1CCCCC1 34a_100011217863_100000188475 [0,1,0,1,0,0|1,0,0]=3 13697 B15R1.778 CCOC(=O)COCCC1CCCCC1 7a_100011217863_100000188475 [0,1,0,1,0,0|1,0,0]=3 13698 B15R1.778 CCOC(=O)COCCC1CCCCN1 34a_100000211664_100000188475 [0,1,0,1,0,0|2,0,0]=4 13699 B15R1.778 CCOC(=O)COCCC1CCCNC1 34a_100000752241_100000188475 [0,1,0,1,0,0|2,0,0]=4 13700 B15R1.778 CCOC(=O)COCCC1CCNCC1 34a_100015190746_100000188475 [0,1,0,1,0,0|2,0,0]=4 13701 B15R1.778 CCOC(=O)COCCC1CCOCC1 34a_100011933979_100000188475 [0,1,0,1,0,0|2,0,0]=4 13702 B15R1.778 CCOC(=O)COCCC1CCOCC1 7a_100011933979_100000188475 [0,1,0,1,0,0|2,0,0]=4 13703 B15R1.778 CCOC(=O)CSCCC1CCCCC1 62a_100000188475_100012355289 [0,1,0,1,0,0|1,1,0]=4 13704 B15R1.778 CCOC(=O)CSCCC1CCCCC1 62a_100012355289_100000188475 [0,1,0,1,0,0|1,1,0]=4 13705 B15R1.778 CCOC(=O)NCCOC1CCCCC1 34a_100000158857_100000210327 [0,1,0,1,0,0|2,0,0]=4 13706 B15R1.778 CCOC(=O)NCCOC1CCCCC1 7a_100000210231_200011445536 [0,1,0,1,0,0|2,0,0]=4 13707 B15R1.778 CCOC(=O)NCCSC1CCCCC1 62a_100000210327_200011445536 [0,1,0,1,0,0|2,0,0]=4 13708 B15R1.778 CCOC(=O)OCSCC1CCCCC1 62a_100000211423_100000075025 [0,1,0,1,0,0|1,0,0]=3 13709 B15R1.778 CCOC(=O)OCSCC1CCCCO1 62a_100000211543_100000075025 [0,1,0,1,0,0|2,0,0]=4 13710 B15R1.778 CCOC(=O)OCSCC1CCCOC1 62a_100000741521_100000075025 [0,1,0,1,0,0|2,0,0]=4 13711 B15R1.778 CCOC(=O)OCSCC1CCOCC1 62a_100000754603_100000075025 [0,1,0,1,0,0|2,0,0]=4 13712 B15R1.778 CNCC(=O)NCCCC1CCCCC1 2230a_106832991635_200000048884 [0,1,0,1,0,0|2,0,0]=4 13713 B15R1.778 CNCC(=O)NCCCC1CCCCC1 34a_100102657272_200000048884 [0,1,0,1,0,0|2,0,0]=4 13714 B15R1.778 CNCC(=O)NCCCC1CCCCC1 7a_106832991635_200000048884 [0,1,0,1,0,0|2,0,0]=4 13715 B15R1.778 COCC(=O)NCCCC1CCCCC1 11a_100011211642_100000210968 [0,1,0,1,0,0|2,0,0]=4 13716 B15R1.778 COCC(=O)NCCCC1CCCCC1 1626a_100011211642_100000210968 [0,1,0,1,0,0|2,0,0]=4 13717 B15R1.778 COCC(=O)NCCCC1CCCCC1 240690a_100011211642_100000210968 [0,1,0,1,0,0|2,0,0]=4 13718 B15R1.778 COCC(=O)NCCCC1CCCCC1 34a_100138415774_200000048884 [0,1,0,1,0,0|2,0,0]=4 13719 B15R1.778 COCC(=O)NCCCC1CCCCC1 527a_100011211642_100000210968 [0,1,0,1,0,0|2,0,0]=4 13720 B15R1.778 COCC(=O)NCCCN1CCCCC1 240690a_100000204581_100000210968 [0,1,0,1,0,0|2,0,0]=4 13721 B15R1.778 COCC(=O)NCCCN1CCCCC1 527a_100000204581_100000210968 [0,1,0,1,0,0|2,0,0]=4 13722 B15R1.778 COCC(=O)NCCOC1CCCCC1 11a_100015206981_100000210968 [0,1,0,1,0,0|2,0,0]=4 13723 B15R1.778 COCC(=O)NCCOC1CCCCC1 1626a_100015206981_100000210968 [0,1,0,1,0,0|2,0,0]=4 13724 B15R1.778 COCC(=O)NCCOC1CCCCC1 240690a_100015206981_100000210968 [0,1,0,1,0,0|2,0,0]=4 13725 B15R1.778 COCC(=O)NCCOC1CCCCC1 527a_100015206981_100000210968 [0,1,0,1,0,0|2,0,0]=4 13726 B15R1.778 CSCC(=O)NCCCC1CCCCC1 11a_100011211642_100000184570 [0,1,0,1,0,0|2,0,0]=4 13727 B15R1.778 CSCC(=O)NCCCC1CCCCC1 1626a_100011211642_100000184570 [0,1,0,1,0,0|2,0,0]=4 13728 B15R1.778 CSCC(=O)NCCCC1CCCCC1 240690a_100011211642_100000184570 [0,1,0,1,0,0|2,0,0]=4 13729 B15R1.778 CSCC(=O)NCCCC1CCCCC1 527a_100011211642_100000184570 [0,1,0,1,0,0|2,0,0]=4 13730 B15R1.778 CSCC(=O)NCCCC1CCCCC1 62a_200000048884_200000210301 [0,1,0,1,0,0|2,0,0]=4 13731 B15R1.778 CSCC(=O)NCCCC1CCCCC1 62a_200000210301_200000048884 [0,1,0,1,0,0|2,0,0]=4 13732 B15R1.778 CSCC(=O)NCCCN1CCCCC1 240690a_100000204581_100000184570 [0,1,0,1,0,0|2,0,0]=4 13733 B15R1.778 CSCC(=O)NCCCN1CCCCC1 527a_100000204581_100000184570 [0,1,0,1,0,0|2,0,0]=4 13734 B15R1.778 CSCC(=O)NCCOC1CCCCC1 11a_100015206981_100000184570 [0,1,0,1,0,0|2,0,0]=4 13735 B15R1.778 CSCC(=O)NCCOC1CCCCC1 1626a_100015206981_100000184570 [0,1,0,1,0,0|2,0,0]=4 13736 B15R1.778 CSCC(=O)NCCOC1CCCCC1 240690a_100015206981_100000184570 [0,1,0,1,0,0|2,0,0]=4 13737 B15R1.778 CSCC(=O)NCCOC1CCCCC1 527a_100015206981_100000184570 [0,1,0,1,0,0|2,0,0]=4 13738 B15R1.778 O=C(CCF)CCCCC1CCCCC1 1458a_200011215547_100011217306 [0,1,0,1,0,0|2,0,0]=4 13739 B15R1.778 O=C(CCF)CCCCN1CCCCC1 1458a_100000754417_100011217306 [0,1,0,1,0,0|2,0,0]=4 13740 B15R1.778 O=C(CCO)CCCCC1CCCCC1 1458a_200011215547_100000211926 [0,1,0,1,0,0|2,0,0]=4 13741 B15R1.778 O=C(CCO)CCCCN1CCCCC1 1458a_100000754417_100000211926 [0,1,0,1,0,0|2,0,0]=4 13742 B15R1.778 O=C(CCO)NCCCC1CCCCC1 240690a_100011211642_100011216618 [0,1,0,1,0,0|2,0,0]=4 13743 B15R1.778 O=C(CCO)NCCCN1CCCCC1 240690a_100000204581_100011216618 [0,1,0,1,0,0|2,0,0]=4 13744 B15R1.778 O=C(CCO)NCCOC1CCCCC1 240690a_100015206981_100011216618 [0,1,0,1,0,0|2,0,0]=4 13745 B15R1.778 O=C(COCCC1CCCCC1)NCO 34a_100011217863_100000185155 [0,1,0,1,0,0|2,0,0]=4 13746 B15R1.778 O=C(COCCC1CCCCC1)NCO 7a_100011217863_100000185155 [0,1,0,1,0,0|2,0,0]=4 13747 B15R1.778 [13CH3]SCC(=O)NCCCC1CCCCC1 62a_200000048884_200025704644 [0,1,0,1,0,0|2,0,0]=4 13748 B15R1.778 [13CH3]SCC(=O)NCCCC1CCCCC1 62a_200025704644_200000048884 [0,1,0,1,0,0|2,0,0]=4 13749 B15R1.1220 C#CCCC(=O)NCCCC1CCCC1 11a_100000736752_100000692101 [0,1,0,1,0,0|1,0,1]=4 13750 B15R1.1220 C#CCCC(=O)NCCCC1CCCC1 1626a_100000736752_100000692101 [0,1,0,1,0,0|1,0,1]=4 13751 B15R1.1220 C#CCCC(=O)NCCCC1CCCC1 240690a_100000736752_100000692101 [0,1,0,1,0,0|1,0,1]=4 13752 B15R1.1220 C#CCCC(=O)NCCCC1CCCC1 527a_100000736752_100000692101 [0,1,0,1,0,0|1,0,1]=4 13753 B15R1.1220 C=CCCC(=O)NCCCC1CCCC1 11a_100000736752_100000749702 [0,1,0,1,0,0|1,0,1]=4 13754 B15R1.1220 C=CCCC(=O)NCCCC1CCCC1 1626a_100000736752_100000749702 [0,1,0,1,0,0|1,0,1]=4 13755 B15R1.1220 C=CCCC(=O)NCCCC1CCCC1 240690a_100000736752_100000749702 [0,1,0,1,0,0|1,0,1]=4 13756 B15R1.1220 C=CCCC(=O)NCCCC1CCCC1 527a_100000736752_100000749702 [0,1,0,1,0,0|1,0,1]=4 13757 B15R1.1220 CC(CCCCl)OCCCC1CCCC1 34a_200000718107_100011713738 [0,1,0,1,0,0|1,0,1]=4 13758 B15R1.1220 CC(CCCCl)OCCCC1CCCC1 7a_200000718107_100011713738 [0,1,0,1,0,0|1,0,1]=4 13759 B15R1.1220 CC=CCC(=O)NCCCC1CCCC1 11a_100000736752_100121576822 [0,1,0,1,0,0|1,0,1]=4 13760 B15R1.1220 CC=CCC(=O)NCCCC1CCCC1 1626a_100000736752_100121576822 [0,1,0,1,0,0|1,0,1]=4 13761 B15R1.1220 CC=CCC(=O)NCCCC1CCCC1 240690a_100000736752_100121576822 [0,1,0,1,0,0|1,0,1]=4 13762 B15R1.1220 CC=CCC(=O)NCCCC1CCCC1 527a_100000736752_100121576822 [0,1,0,1,0,0|1,0,1]=4 13763 B15R1.1220 CCC=CC(=O)NCCCC1CCCC1 11a_100000736752_100000212282 [0,1,0,1,0,0|1,0,1]=4 13764 B15R1.1220 CCC=CC(=O)NCCCC1CCCC1 1626a_100000736752_100000212282 [0,1,0,1,0,0|1,0,1]=4 13765 B15R1.1220 CCC=CC(=O)NCCCC1CCCC1 240690a_100000736752_100000212282 [0,1,0,1,0,0|1,0,1]=4 13766 B15R1.1220 CCCCC(=O)NCCCC1CCCC1 11a_100000736752_100000210183 [0,1,0,1,0,0|1,0,0]=3 13767 B15R1.1220 CCCCC(=O)NCCCC1CCCC1 1626a_100000736752_100000210183 [0,1,0,1,0,0|1,0,0]=3 13768 B15R1.1220 CCCCC(=O)NCCCC1CCCC1 240690a_100000736752_100000210183 [0,1,0,1,0,0|1,0,0]=3 13769 B15R1.1220 CCCCC(=O)NCCCC1CCCC1 527a_100000736752_100000210183 [0,1,0,1,0,0|1,0,0]=3 13770 B15R1.1220 CCCCC(=O)NCCCN1CCCC1 240690a_100000204695_100000210183 [0,1,0,1,0,0|2,0,0]=4 13771 B15R1.1220 CCCCC(=O)NCCOC1CCCC1 11a_100000741755_100000210183 [0,1,0,1,0,0|2,0,0]=4 13772 B15R1.1220 CCCCC(=O)NCCOC1CCCC1 1626a_100000741755_100000210183 [0,1,0,1,0,0|2,0,0]=4 13773 B15R1.1220 CCCCC(=O)NCCOC1CCCC1 240690a_100000741755_100000210183 [0,1,0,1,0,0|2,0,0]=4 13774 B15R1.1220 CCCCC(=O)NCCOC1CCCC1 527a_100000741755_100000210183 [0,1,0,1,0,0|2,0,0]=4 13775 B15R1.1220 CCCCC(C)OCCCC1CCCC1 34a_100000687866_100011713738 [0,1,0,1,0,0|1,0,1]=4 13776 B15R1.1220 CCCCC(C)OCCCC1CCCC1 34a_100011215328_200011215066 [0,1,0,1,0,0|1,0,1]=4 13777 B15R1.1220 CCCCC(C)OCCCC1CCCC1 7a_100000687866_100011713738 [0,1,0,1,0,0|1,0,1]=4 13778 B15R1.1220 CCCCC(C)OCCCC1CCCC1 7a_100011215328_200011215066 [0,1,0,1,0,0|1,0,1]=4 13779 B15R1.1220 CCCNC(=O)CCCNC1CCCC1 2230a_100000211070_100011194427 [0,1,0,1,0,0|2,0,0]=4 13780 B15R1.1220 CCCNC(=O)CCCOC1CCCC1 7a_100000210269_100011194427 [0,1,0,1,0,0|2,0,0]=4 13781 B15R1.1220 CCCNC(=O)CCCSC1CCCC1 62a_100011194427_100000179811 [0,1,0,1,0,0|2,0,0]=4 13782 B15R1.1220 CCCNC(=O)CCCSC1CCCC1 62a_100011217020_100011194427 [0,1,0,1,0,0|2,0,0]=4 13783 B15R1.1220 CCCNC(=O)CNCCC1CCCC1 2230a_100000174927_100000760354 [0,1,0,1,0,0|2,0,0]=4 13784 B15R1.1220 CCCNC(=O)CNCCC1CCCC1 2230a_100000739158_100000183358 [0,1,0,1,0,0|2,0,0]=4 13785 B15R1.1220 CCCNC(=O)CNCCC1CCCC1 34a_100000739158_100000183358 [0,1,0,1,0,0|2,0,0]=4 13786 B15R1.1220 CCCNC(=O)COCCC1CCCC1 34a_100000749090_100000183358 [0,1,0,1,0,0|2,0,0]=4 13787 B15R1.1220 CCCNC(=O)COCCC1CCCC1 7a_100000749090_100000183358 [0,1,0,1,0,0|2,0,0]=4 13788 B15R1.1220 CCCNC(=O)CSCCC1CCCC1 62a_100000183358_100000760354 [0,1,0,1,0,0|2,0,0]=4 13789 B15R1.1220 CCCNC(=O)CSCCC1CCCC1 62a_100000760354_100000183358 [0,1,0,1,0,0|2,0,0]=4 13790 B15R1.1220 CCCNC(=O)NCCCC1CCCC1 2708a_100000736752_100020643023 [0,1,0,1,0,0|1,0,0]=3 13791 B15R1.1220 CCCNC(=O)NCCCC1CCCC1 2708a_100020643023_100000736752 [0,1,0,1,0,0|1,0,0]=3 13792 B15R1.1220 CCCNC(=O)NCCCC1CCCC1 273464a_100000736752_100020643023 [0,1,0,1,0,0|1,0,0]=3 13793 B15R1.1220 CCCNC(=O)NCCCC1CCCC1 273464a_100020643023_100000736752 [0,1,0,1,0,0|1,0,0]=3 13794 B15R1.1220 CCCNC(=O)NCCCC1CCCC1 512a_100000736752_100020643023 [0,1,0,1,0,0|1,0,0]=3 13795 B15R1.1220 CCCNC(=O)NCCCC1CCCC1 512a_100020643023_100000736752 [0,1,0,1,0,0|1,0,0]=3 13796 B15R1.1220 CCCNC(=O)NCCCN1CCCC1 2708a_100000204695_100020643023 [0,1,0,1,0,0|2,0,0]=4 13797 B15R1.1220 CCCNC(=O)NCCCN1CCCC1 2708a_100020643023_100000204695 [0,1,0,1,0,0|2,0,0]=4 13798 B15R1.1220 CCCNC(=O)NCCCN1CCCC1 273464a_100000204695_100020643023 [0,1,0,1,0,0|2,0,0]=4 13799 B15R1.1220 CCCNC(=O)NCCCN1CCCC1 273464a_100020643023_100000204695 [0,1,0,1,0,0|2,0,0]=4 13800 B15R1.1220 CCCNC(=O)NCCOC1CCCC1 2708a_100000741755_100020643023 [0,1,0,1,0,0|2,0,0]=4 13801 B15R1.1220 CCCNC(=O)NCCOC1CCCC1 2708a_100020643023_100000741755 [0,1,0,1,0,0|2,0,0]=4 13802 B15R1.1220 CCCNC(=O)NCCOC1CCCC1 273464a_100000741755_100020643023 [0,1,0,1,0,0|2,0,0]=4 13803 B15R1.1220 CCCNC(=O)NCCOC1CCCC1 273464a_100020643023_100000741755 [0,1,0,1,0,0|2,0,0]=4 13804 B15R1.1220 CCCNC(=O)NCCOC1CCCC1 512a_100000741755_100020643023 [0,1,0,1,0,0|2,0,0]=4 13805 B15R1.1220 CCCNC(=O)NCCOC1CCCC1 512a_100020643023_100000741755 [0,1,0,1,0,0|2,0,0]=4 13806 B15R1.1220 CCCOC(=O)CNCCC1CCCC1 2230a_100000739158_200011215008 [0,1,0,1,0,0|2,0,0]=4 13807 B15R1.1220 CCCOC(=O)CNCCC1CCCC1 34a_100000739158_200011215008 [0,1,0,1,0,0|2,0,0]=4 13808 B15R1.1220 CCCOC(=O)COCCC1CCCC1 34a_100000749090_200011215008 [0,1,0,1,0,0|2,0,0]=4 13809 B15R1.1220 CCCOC(=O)COCCC1CCCC1 7a_100000749090_200011215008 [0,1,0,1,0,0|2,0,0]=4 13810 B15R1.1220 CCCOC(=O)CSCCC1CCCC1 62a_100000760354_200011215008 [0,1,0,1,0,0|2,0,0]=4 13811 B15R1.1220 CCCOC(=O)CSCCC1CCCC1 62a_200011215008_100000760354 [0,1,0,1,0,0|2,0,0]=4 13812 B15R1.1220 CCCOC(=O)OCNCC1CCCC1 34a_100000737975_200000139673 [0,1,0,1,0,0|1,0,0]=3 13813 B15R1.1220 CCCOC(=O)OCNCC1CCOC1 34a_100000737293_200000139673 [0,1,0,1,0,0|2,0,0]=4 13814 B15R1.1220 CCCOC(=O)OCNC[C@@H]1CCCO1 34a_100020590478_200000139673 [0,1,0,1,0,0|2,0,0]=4 13815 B15R1.1220 CCCOC(=O)OCOCC1CCCC1 34a_100000742336_200000139673 [0,1,0,1,0,0|1,0,0]=3 13816 B15R1.1220 CCCOC(=O)OCOCC1CCCC1 7a_100000742336_200000139673 [0,1,0,1,0,0|1,0,0]=3 13817 B15R1.1220 CCCOC(=O)OCOCC1CCCO1 34a_100000210270_200000139673 [0,1,0,1,0,0|2,0,0]=4 13818 B15R1.1220 CCCOC(=O)OCOCC1CCCO1 7a_100000210270_200000139673 [0,1,0,1,0,0|2,0,0]=4 13819 B15R1.1220 CCCOC(=O)OCOCC1CCNC1 34a_100000748654_200000139673 [0,1,0,1,0,0|2,0,0]=4 13820 B15R1.1220 CCCOC(=O)OCOCC1CCOC1 34a_100000740260_200000139673 [0,1,0,1,0,0|2,0,0]=4 13821 B15R1.1220 CCCOC(=O)OCOC[C@H]1CCCN1 34a_100000745186_200000139673 [0,1,0,1,0,0|2,0,0]=4 13822 B15R1.1220 CCCOC(=O)OCSCC1CCCC1 62a_100000740388_200000139673 [0,1,0,1,0,0|1,0,0]=3 13823 B15R1.1220 CCCOC(=O)OCSCC1CCCO1 62a_100000203698_200000139673 [0,1,0,1,0,0|2,0,0]=4 13824 B15R1.1220 CCCOC(=O)OCSCC1CCOC1 62a_100000702531_200000139673 [0,1,0,1,0,0|2,0,0]=4 13825 B15R1.1220 CCNNC(=O)NCCCC1CCCC1 273464a_100000736752_100000756455 [0,1,0,1,0,0|2,0,0]=4 13826 B15R1.1220 CCNNC(=O)NCCCC1CCCC1 512a_100000736752_100000756455 [0,1,0,1,0,0|2,0,0]=4 13827 B15R1.1220 CCNNC(=O)NCCCC1CCCC1 512a_100000756455_100000736752 [0,1,0,1,0,0|2,0,0]=4 13828 B15R1.1220 CCOCC(=O)NCCCC1CCCC1 11a_100000736752_100000211967 [0,1,0,1,0,0|1,0,0]=3 13829 B15R1.1220 CCOCC(=O)NCCCC1CCCC1 1626a_100000736752_100000211967 [0,1,0,1,0,0|1,0,0]=3 13830 B15R1.1220 CCOCC(=O)NCCCC1CCCC1 240690a_100000736752_100000211967 [0,1,0,1,0,0|1,0,0]=3 13831 B15R1.1220 CCOCC(=O)NCCCC1CCCC1 527a_100000736752_100000211967 [0,1,0,1,0,0|1,0,0]=3 13832 B15R1.1220 CCOCC(=O)NCCCN1CCCC1 240690a_100000204695_100000211967 [0,1,0,1,0,0|2,0,0]=4 13833 B15R1.1220 CCOCC(=O)NCCOC1CCCC1 11a_100000741755_100000211967 [0,1,0,1,0,0|2,0,0]=4 13834 B15R1.1220 CCOCC(=O)NCCOC1CCCC1 1626a_100000741755_100000211967 [0,1,0,1,0,0|2,0,0]=4 13835 B15R1.1220 CCOCC(=O)NCCOC1CCCC1 240690a_100000741755_100000211967 [0,1,0,1,0,0|2,0,0]=4 13836 B15R1.1220 CCOCC(=O)NCCOC1CCCC1 527a_100000741755_100000211967 [0,1,0,1,0,0|2,0,0]=4 13837 B15R1.1220 CCOCC(C)OCCCC1CCCC1 34a_100000718985_100011713738 [0,1,0,1,0,0|1,0,1]=4 13838 B15R1.1220 CCOCC(C)OCCCC1CCCC1 7a_100000718985_100011713738 [0,1,0,1,0,0|1,0,1]=4 13839 B15R1.1220 CCSCC(=O)NCCCC1CCCC1 11a_100000736752_100000230394 [0,1,0,1,0,0|1,0,0]=3 13840 B15R1.1220 CCSCC(=O)NCCCC1CCCC1 1626a_100000736752_100000230394 [0,1,0,1,0,0|1,0,0]=3 13841 B15R1.1220 CCSCC(=O)NCCCC1CCCC1 240690a_100000736752_100000230394 [0,1,0,1,0,0|1,0,0]=3 13842 B15R1.1220 CCSCC(=O)NCCCC1CCCC1 527a_100000736752_100000230394 [0,1,0,1,0,0|1,0,0]=3 13843 B15R1.1220 CCSCC(=O)NCCCN1CCCC1 240690a_100000204695_100000230394 [0,1,0,1,0,0|2,0,0]=4 13844 B15R1.1220 CCSCC(=O)NCCOC1CCCC1 11a_100000741755_100000230394 [0,1,0,1,0,0|2,0,0]=4 13845 B15R1.1220 CCSCC(=O)NCCOC1CCCC1 1626a_100000741755_100000230394 [0,1,0,1,0,0|2,0,0]=4 13846 B15R1.1220 CCSCC(=O)NCCOC1CCCC1 240690a_100000741755_100000230394 [0,1,0,1,0,0|2,0,0]=4 13847 B15R1.1220 CCSCC(=O)NCCOC1CCCC1 527a_100000741755_100000230394 [0,1,0,1,0,0|2,0,0]=4 13848 B15R1.1220 COCCC(=O)NCCCC1CCCC1 11a_100000736752_100000749529 [0,1,0,1,0,0|1,0,0]=3 13849 B15R1.1220 COCCC(=O)NCCCC1CCCC1 1626a_100000736752_100000749529 [0,1,0,1,0,0|1,0,0]=3 13850 B15R1.1220 COCCC(=O)NCCCC1CCCC1 240690a_100000736752_100000749529 [0,1,0,1,0,0|1,0,0]=3 13851 B15R1.1220 COCCC(=O)NCCCC1CCCC1 527a_100000736752_100000749529 [0,1,0,1,0,0|1,0,0]=3 13852 B15R1.1220 COCCC(=O)NCCCN1CCCC1 240690a_100000204695_100000749529 [0,1,0,1,0,0|2,0,0]=4 13853 B15R1.1220 COCCC(=O)NCCOC1CCCC1 11a_100000741755_100000749529 [0,1,0,1,0,0|2,0,0]=4 13854 B15R1.1220 COCCC(=O)NCCOC1CCCC1 1626a_100000741755_100000749529 [0,1,0,1,0,0|2,0,0]=4 13855 B15R1.1220 COCCC(=O)NCCOC1CCCC1 240690a_100000741755_100000749529 [0,1,0,1,0,0|2,0,0]=4 13856 B15R1.1220 COCCC(=O)NCCOC1CCCC1 527a_100000741755_100000749529 [0,1,0,1,0,0|2,0,0]=4 13857 B15R1.1220 CSCCC(=O)NCCCC1CCCC1 11a_100000736752_100000174002 [0,1,0,1,0,0|1,0,0]=3 13858 B15R1.1220 CSCCC(=O)NCCCC1CCCC1 1626a_100000736752_100000174002 [0,1,0,1,0,0|1,0,0]=3 13859 B15R1.1220 CSCCC(=O)NCCCC1CCCC1 240690a_100000736752_100000174002 [0,1,0,1,0,0|1,0,0]=3 13860 B15R1.1220 CSCCC(=O)NCCCC1CCCC1 527a_100000736752_100000174002 [0,1,0,1,0,0|1,0,0]=3 13861 B15R1.1220 CSCCC(=O)NCCCN1CCCC1 240690a_100000204695_100000174002 [0,1,0,1,0,0|2,0,0]=4 13862 B15R1.1220 CSCCC(=O)NCCOC1CCCC1 11a_100000741755_100000174002 [0,1,0,1,0,0|2,0,0]=4 13863 B15R1.1220 CSCCC(=O)NCCOC1CCCC1 1626a_100000741755_100000174002 [0,1,0,1,0,0|2,0,0]=4 13864 B15R1.1220 CSCCC(=O)NCCOC1CCCC1 240690a_100000741755_100000174002 [0,1,0,1,0,0|2,0,0]=4 13865 B15R1.1220 CSCCC(=O)NCCOC1CCCC1 527a_100000741755_100000174002 [0,1,0,1,0,0|2,0,0]=4 13866 B15R1.1220 N#CCCC(=O)NCCCC1CCCC1 11a_100000736752_100011934036 [0,1,0,1,0,0|1,0,1]=4 13867 B15R1.1220 N#CCCC(=O)NCCCC1CCCC1 1626a_100000736752_100011934036 [0,1,0,1,0,0|1,0,1]=4 13868 B15R1.1220 N#CCCC(=O)NCCCC1CCCC1 240690a_100000736752_100011934036 [0,1,0,1,0,0|1,0,1]=4 13869 B15R1.1220 N#CCCC(=O)NCCCC1CCCC1 527a_100000736752_100011934036 [0,1,0,1,0,0|1,0,1]=4 13870 B15R1.1220 O=C(NCCF)NCCCC1CCCC1 2708a_100000736752_100000724931 [0,1,0,1,0,0|2,0,0]=4 13871 B15R1.1220 O=C(NCCF)NCCCC1CCCC1 273464a_100000724931_100000736752 [0,1,0,1,0,0|2,0,0]=4 13872 B15R1.1220 O=C(NCCF)NCCCC1CCCC1 273464a_100000736752_100000724931 [0,1,0,1,0,0|2,0,0]=4 13873 B15R1.1220 O=C(NCCF)NCCCC1CCCC1 512a_100000736752_100000724931 [0,1,0,1,0,0|2,0,0]=4 13874 B15R1.1220 O=C(NCCO)NCCCC1CCCC1 2708a_100000736752_100000210304 [0,1,0,1,0,0|2,0,0]=4 13875 B15R1.1220 O=C(NCCO)NCCCC1CCCC1 273464a_100000210304_100000736752 [0,1,0,1,0,0|2,0,0]=4 13876 B15R1.1220 O=C(NCCO)NCCCC1CCCC1 273464a_100000736752_100000210304 [0,1,0,1,0,0|2,0,0]=4 13877 B15R1.1220 O=C(NCCO)NCCCC1CCCC1 512a_100000736752_100000210304 [0,1,0,1,0,0|2,0,0]=4 13878 B15R1.1252 CC1CCCCN1CCNC(=O)CCO 240690a_100000739827_100011216618 [0,1,0,1,0,0|2,0,0]=4 13879 B15R1.1252 CCCC(=O)COCC1CCCCC1=O 7a_100009861125_100000747444 [0,1,0,1,0,0|1,0,1]=4 13880 B15R1.1252 CCCC(=O)CSCC1CCCCN1C 62a_100000747444_100015185383 [0,1,0,1,0,0|1,1,0]=4 13881 B15R1.1252 CCCC(=O)CSCC1CCCCN1C 62a_100015185383_100000747444 [0,1,0,1,0,0|1,1,0]=4 13882 B15R1.1252 CCCC(=O)NCCN1CCCCC1C 240690a_100000739827_100000211992 [0,1,0,1,0,0|1,0,0]=3 13883 B15R1.1252 CCCC(=O)NCCN1CCCCC1C 527a_100000739827_100000211992 [0,1,0,1,0,0|1,0,0]=3 13884 B15R1.1252 CCCC(=O)OCNC1CCCCC1C 2230a_100000211402_100000034017 [0,1,0,1,0,0|0,0,0]=2 13885 B15R1.1252 CCCC(=O)OCNC1CCCCC1C 34a_100000211402_100000034017 [0,1,0,1,0,0|0,0,0]=2 13886 B15R1.1252 CCCC(=O)OCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000034017 [0,1,0,1,0,0|1,0,0]=3 13887 B15R1.1252 CCCC(=O)OCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000034017 [0,1,0,1,0,0|1,0,0]=3 13888 B15R1.1252 CCCC(=O)OCN[C@@H]1CCOC[C@@H]1O 2230a_100016994285_100000034017 [0,1,0,1,0,0|2,0,0]=4 13889 B15R1.1252 CCCC(=O)OCN[C@H]1CCOC[C@@H]1F 2230a_100016994078_100000034017 [0,1,0,1,0,0|2,0,0]=4 13890 B15R1.1252 CCCC(=O)OCN[C@H]1CCOC[C@@H]1F 34a_100016994078_100000034017 [0,1,0,1,0,0|2,0,0]=4 13891 B15R1.1252 CCCC(=O)OCN[C@H]1COCC[C@@H]1O 2230a_100015739063_100000034017 [0,1,0,1,0,0|2,0,0]=4 13892 B15R1.1252 CCCC(=O)OCOC1CCCCC1=O 34a_100011214950_100000034017 [0,1,0,1,0,0|1,0,1]=4 13893 B15R1.1252 CCCC(=O)OCOC1CCCCC1C 34a_100000211207_100000034017 [0,1,0,1,0,0|0,0,0]=2 13894 B15R1.1252 CCCC(=O)OCOC1CCCCC1Cl 34a_100000038908_100000034017 [0,1,0,1,0,0|1,0,0]=3 13895 B15R1.1252 CCCC(=O)OCOC1CCNCC1C 34a_100011998114_100000034017 [0,1,0,1,0,0|1,0,0]=3 13896 B15R1.1252 CCCC(=O)OCOC1CNCCC1C 34a_100000696640_100000034017 [0,1,0,1,0,0|1,0,0]=3 13897 B15R1.1252 CCCC(=O)OCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000034017 [0,1,0,1,0,0|1,0,0]=3 13898 B15R1.1252 CCCC(=O)OCO[C@@H]1CCNC[C@@H]1F 34a_200016994291_100000034017 [0,1,0,1,0,0|2,0,0]=4 13899 B15R1.1252 CCCC(=O)OCO[C@H]1CCCC[C@H]1N 34a_100015191688_100000034017 [0,1,0,1,0,0|1,0,0]=3 13900 B15R1.1252 CCCC(=O)OCO[C@H]1CCOC[C@@H]1N 34a_100015739063_100000034017 [0,1,0,1,0,0|2,0,0]=4 13901 B15R1.1252 CCCC(=O)OCO[C@H]1COCC[C@H]1N 34a_100016994285_100000034017 [0,1,0,1,0,0|2,0,0]=4 13902 B15R1.1252 CCCC(=O)OCSC1CCCCC1=O 62a_100000204591_100000034017 [0,1,0,1,0,0|1,0,1]=4 13903 B15R1.1252 CCCC(=O)OCSC1CCCCC1F 62a_100015423560_100000034017 [0,1,0,1,0,0|1,0,0]=3 13904 B15R1.1252 CCCC(=O)OCSC1CCCCC1O 62a_100000038908_100000034017 [0,1,0,1,0,0|1,0,0]=3 13905 B15R1.1252 CCCC(C)OCCC1CCCCN1C 34a_100000764384_100000211948 [0,1,0,1,0,0|1,0,1]=4 13906 B15R1.1252 CCCC(C)OCCC1CCCCN1C 7a_100000764384_100000211948 [0,1,0,1,0,0|1,0,1]=4 13907 B15R1.1252 CCCC(C)OCCN1CCCCC1C 34a_100011305533_100000766640 [0,1,0,1,0,0|1,0,1]=4 13908 B15R1.1252 CCNC(=O)CCNC1CCCCC1C 2230a_100000211402_100000737597 [0,1,0,1,0,0|2,0,0]=4 13909 B15R1.1252 CCNC(=O)CCNC1CCCCC1C 269862a_100025743525_100000210921 [0,1,0,1,0,0|2,0,0]=4 13910 B15R1.1252 CCNC(=O)CCNC1CCCCC1C 270004a_100025743525_100000210921 [0,1,0,1,0,0|2,0,0]=4 13911 B15R1.1252 CCNC(=O)CCOC1CCCCC1C 7a_100000211207_100000737597 [0,1,0,1,0,0|2,0,0]=4 13912 B15R1.1252 CCNC(=O)COCC1CCCCN1C 34a_100000225079_100000183381 [0,1,0,1,0,0|2,0,0]=4 13913 B15R1.1252 CCNC(=O)NCCN1CCCCC1C 2708a_100015525214_100000739827 [0,1,0,1,0,0|2,0,0]=4 13914 B15R1.1252 CCNC(=O)NCCN1CCCCC1C 273464a_100000739827_100015525214 [0,1,0,1,0,0|2,0,0]=4 13915 B15R1.1252 CCNC(=O)NCCN1CCCCC1C 273464a_100015525214_100000739827 [0,1,0,1,0,0|2,0,0]=4 13916 B15R1.1252 CCNC(=O)NCCN1CCCCC1C 512a_100000739827_100015525214 [0,1,0,1,0,0|2,0,0]=4 13917 B15R1.1252 CCNC(=O)NCCN1CCCCC1C 512a_100015525214_100000739827 [0,1,0,1,0,0|2,0,0]=4 13918 B15R1.1252 CCOC(=O)CCCN1CCCCC1C 2230a_100000211376_100009991533 [0,1,0,1,0,0|2,0,0]=4 13919 B15R1.1252 CCOC(=O)CCCN1CCCCC1C 269982a_100000211376_100009991533 [0,1,0,1,0,0|2,0,0]=4 13920 B15R1.1252 CCOC(=O)CCCN1CCCCC1C 34a_100000211376_100009991533 [0,1,0,1,0,0|2,0,0]=4 13921 B15R1.1252 CCOC(=O)CCNC1CCCCC1C 2230a_100000211402_100011206558 [0,1,0,1,0,0|2,0,0]=4 13922 B15R1.1252 CCOC(=O)CCNC1CCCCC1C 34a_100000211402_100000765890 [0,1,0,1,0,0|2,0,0]=4 13923 B15R1.1252 CCOC(=O)CCOC1CCCCC1C 34a_100000211207_100000765890 [0,1,0,1,0,0|2,0,0]=4 13924 B15R1.1252 CCOC(=O)CCOC1CCCCC1C 7a_100000211207_100011206558 [0,1,0,1,0,0|2,0,0]=4 13925 B15R1.1252 CCOC(=O)COCC1CCCCN1C 34a_100000225079_100000188475 [0,1,0,1,0,0|2,0,0]=4 13926 B15R1.1252 CCOC(=O)NCCN1CCCCC1C 269982a_100000211376_200011445536 [0,1,0,1,0,0|2,0,0]=4 13927 B15R1.1252 CCOC(=O)OCSC1CCCCC1F 62a_100015423560_100000075025 [0,1,0,1,0,0|2,0,0]=4 13928 B15R1.1252 CCOC(=O)OCSC1CCCCC1O 62a_100000038908_100000075025 [0,1,0,1,0,0|2,0,0]=4 13929 B15R1.1252 COCC(=O)NCCN1CCCCC1C 240690a_100000739827_100000210968 [0,1,0,1,0,0|2,0,0]=4 13930 B15R1.1252 COCC(=O)NCCN1CCCCC1C 527a_100000739827_100000210968 [0,1,0,1,0,0|2,0,0]=4 13931 B15R1.1252 CSCC(=O)NCCN1CCCCC1C 240690a_100000739827_100000184570 [0,1,0,1,0,0|2,0,0]=4 13932 B15R1.1252 CSCC(=O)NCCN1CCCCC1C 527a_100000739827_100000184570 [0,1,0,1,0,0|2,0,0]=4 13933 B15R1.2238 CCCCC(=O)CCCNC(=O)C1CC1 1458a_100000194788_100000210211 [0,1,0,1,0,0|1,0,1]=4 13934 B15R1.2238 CCCCC(C)COCOC(=O)C1CC1 34a_100011995851_100000140896 [0,1,0,1,0,0|1,0,0]=3 13935 B15R1.2238 CCCC[C@H](N)COCOC(=O)C1CC1 34a_100011934283_100000140896 [0,1,0,1,0,0|1,0,0]=3 13936 B15R1.2238 CCCOC(C)CNCOC(=O)C1CC1 2230a_100015185124_100000140896 [0,1,0,1,0,0|2,0,0]=4 13937 B15R1.2238 CCCOC(C)CNCOC(=O)C1CC1 34a_100015185124_100000140896 [0,1,0,1,0,0|2,0,0]=4 13938 B15R1.2238 CCOCC(O)CNCOC(=O)C1CC1 2230a_102515437182_100000140896 [0,1,0,1,0,0|2,0,0]=4 13939 B15R1.2238 CCOCC(O)CNCOC(=O)C1CC1 34a_102515437182_100000140896 [0,1,0,1,0,0|2,0,0]=4 13940 B15R1.2238 CSCC[C@H](N)COCOC(=O)C1CC1 34a_100011827619_100000140896 [0,1,0,1,0,0|2,0,0]=4 13941 B15R1.2238 C[C@H](CCCO)CNCOC(=O)C1CC1 2230a_100160569302_100000140896 [0,1,0,1,0,0|2,0,0]=4 13942 B15R1.2238 C[C@H](CCCO)CNCOC(=O)C1CC1 34a_100160569302_100000140896 [0,1,0,1,0,0|2,0,0]=4 13943 B15R1.2336 CCCCC(C)N1CCNC(=O)C1CC 2230a_100000187962_200011215066 [0,1,0,1,0,0|2,0,0]=4 13944 B15R1.2336 CCCCC(C)N1CCNC(=O)C1CC 269982a_100000187962_200011215066 [0,1,0,1,0,0|2,0,0]=4 13945 B15R1.2336 CCCCC(C)N1CCNC(=O)C1CC 270004a_100000187962_100000210087 [0,1,0,1,0,0|2,0,0]=4 13946 B15R1.2336 CCCCC(C)N1CCNC(=O)C1CC 34a_100000187962_200011215066 [0,1,0,1,0,0|2,0,0]=4 13947 B15R1.3858 CCCC(=O)COC1CC(CCC1C)C 7a_100011217446_100000747444 [0,1,0,1,0,0|2,0,0]=4 13948 B15R1.3858 CCCC(=O)OCN1C[C@H](OC[C@H]1C)C 2230a_100016991869_100000034017 [0,1,0,1,0,0|2,0,0]=4 13949 B15R1.3858 CCCC(=O)OCN1C[C@H](OC[C@H]1C)C 269982a_100016991869_100000034017 [0,1,0,1,0,0|2,0,0]=4 13950 B15R1.3858 CCCC(=O)OCN1C[C@H](OC[C@H]1C)C 34a_100016991869_100000034017 [0,1,0,1,0,0|2,0,0]=4 13951 B15R1.3859 CCCC(=O)OCN1C[C@@H](C[C@H]1CO)O 2230a_100000707816_100000034017 [0,1,0,1,0,0|2,0,0]=4 13952 B15R1.3859 CCCC(=O)OCN1C[C@@H](C[C@H]1CO)O 269982a_100000707816_100000034017 [0,1,0,1,0,0|2,0,0]=4 13953 B15R1.3859 CCCC(=O)OCN1C[C@H](C[C@H]1CO)F 2230a_100015204000_100000034017 [0,1,0,1,0,0|2,0,0]=4 13954 B15R1.3859 CCCC(=O)OCN1C[C@H](C[C@H]1CO)F 269982a_100015204000_100000034017 [0,1,0,1,0,0|2,0,0]=4 13955 B15R1.3859 CCCC(=O)OCN1C[C@H](C[C@H]1CO)F 34a_100015204000_100000034017 [0,1,0,1,0,0|2,0,0]=4 13956 B15R1.3894 CCCCC(=O)NCCC1CCCN1C 240690a_100011219722_100000210183 [0,1,0,1,0,0|2,0,0]=4 13957 B15R1.3894 CCCCC(=O)NCCC1CCCN1C 527a_100011219722_100000210183 [0,1,0,1,0,0|2,0,0]=4 13958 B15R1.3894 CCCCC(C)NCCN1CCCC1=O 2230a_100000126638_100000739059 [0,1,0,1,0,0|2,0,0]=4 13959 B15R1.3894 CCCCC(C)NCCN1CCCC1=O 2230a_100011200922_200011215066 [0,1,0,1,0,0|2,0,0]=4 13960 B15R1.3894 CCCCC(C)NCCN1CCCC1=O 270004a_100011200922_100000210087 [0,1,0,1,0,0|2,0,0]=4 13961 B15R1.3894 CCCCC(C)OCCN1CCCC1=O 34a_100000211209_200011215066 [0,1,0,1,0,0|2,0,0]=4 13962 B15R1.3894 CCCCC(C)OCCN1CCCC1=O 34a_100000687866_100000739059 [0,1,0,1,0,0|2,0,0]=4 13963 B15R1.3894 CCCCC(C)OCCN1CCCC1=O 7a_100000211209_200011215066 [0,1,0,1,0,0|2,0,0]=4 13964 B15R1.3894 CCCCC(C)OCCN1CCCC1=O 7a_100000687866_100000739059 [0,1,0,1,0,0|2,0,0]=4 13965 B15R1.3894 CCCCC(C)SCCN1CCCC1=O 62a_100000739059_200011215066 [0,1,0,1,0,0|2,0,0]=4 13966 B15R1.3894 CCCCC(C)SCCN1CCCC1=O 62a_200011215066_100000739059 [0,1,0,1,0,0|2,0,0]=4 13967 B15R1.3894 CCCNC(=O)CCCN1CCC[C@@H]1C 2230a_100020605311_100011194427 [0,1,0,1,0,0|2,0,0]=4 13968 B15R1.3894 CCCNC(=O)CCCN1CCC[C@@H]1C 269982a_100020605311_100011194427 [0,1,0,1,0,0|2,0,0]=4 13969 B15R1.3894 CCCNC(=O)CCCN1CCC[C@H]1C 2230a_100015189458_100011194427 [0,1,0,1,0,0|2,0,0]=4 13970 B15R1.3894 CCCNC(=O)CCCN1CCC[C@H]1C 269982a_100015189458_100011194427 [0,1,0,1,0,0|2,0,0]=4 13971 B15R1.3894 CCCNC(=O)NCCC1CCCN1C 2708a_100011219722_100020643023 [0,1,0,1,0,0|2,0,0]=4 13972 B15R1.3894 CCCNC(=O)NCCC1CCCN1C 2708a_100020643023_100011219722 [0,1,0,1,0,0|2,0,0]=4 13973 B15R1.3894 CCCNC(=O)NCCC1CCCN1C 273464a_100011219722_100020643023 [0,1,0,1,0,0|2,0,0]=4 13974 B15R1.3894 CCCNC(=O)NCCC1CCCN1C 273464a_100020643023_100011219722 [0,1,0,1,0,0|2,0,0]=4 13975 B15R1.3894 CCCNC(=O)NCCC1CCCN1C 512a_100011219722_100020643023 [0,1,0,1,0,0|2,0,0]=4 13976 B15R1.3894 CCCNC(=O)NCCC1CCCN1C 512a_100020643023_100011219722 [0,1,0,1,0,0|2,0,0]=4 13977 B15R1.3894 CCCOC(=O)OCOC1CCCC1C 34a_100011216460_200000139673 [0,1,0,1,0,0|1,0,0]=3 13978 B15R1.3894 CCCOC(=O)OCOC1CCCC1C 7a_100011216460_200000139673 [0,1,0,1,0,0|1,0,0]=3 13979 B15R1.3894 CCCOC(=O)OCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_200000139673 [0,1,0,1,0,0|2,0,0]=4 13980 B15R1.3894 CCCOC(=O)OCO[C@H]1CCC[C@@H]1N 34a_100000748460_200000139673 [0,1,0,1,0,0|2,0,0]=4 13981 B15R1.3894 CCCOC(=O)OCO[C@H]1CNC[C@H]1C 34a_200015306588_200000139673 [0,1,0,1,0,0|2,0,0]=4 13982 B15R1.3894 CCCOC(=O)OCS[C@@H]1CCC[C@H]1O 62a_200016002552_200000139673 [0,1,0,1,0,0|2,0,0]=4 13983 B15R1.3894 CCOCC(=O)NCCC1CCCN1C 240690a_100011219722_100000211967 [0,1,0,1,0,0|2,0,0]=4 13984 B15R1.3894 CCOCC(=O)NCCC1CCCN1C 527a_100011219722_100000211967 [0,1,0,1,0,0|2,0,0]=4 13985 B15R1.3894 CCSCC(=O)NCCC1CCCN1C 240690a_100011219722_100000230394 [0,1,0,1,0,0|2,0,0]=4 13986 B15R1.3894 CCSCC(=O)NCCC1CCCN1C 527a_100011219722_100000230394 [0,1,0,1,0,0|2,0,0]=4 13987 B15R1.3894 COCCC(=O)NCCC1CCCN1C 240690a_100011219722_100000749529 [0,1,0,1,0,0|2,0,0]=4 13988 B15R1.3894 COCCC(=O)NCCC1CCCN1C 527a_100011219722_100000749529 [0,1,0,1,0,0|2,0,0]=4 13989 B15R1.3894 CSCCC(=O)NCCC1CCCN1C 240690a_100011219722_100000174002 [0,1,0,1,0,0|2,0,0]=4 13990 B15R1.3894 CSCCC(=O)NCCC1CCCN1C 527a_100011219722_100000174002 [0,1,0,1,0,0|2,0,0]=4 13991 B15R1.10364 CCCC(=O)OCN1CCCCC(C1)O 2230a_100025706797_100000034017 [0,1,0,1,0,0|1,0,0]=3 13992 B15R1.10364 CCCC(=O)OCN1CCCCC(C1)O 269982a_100025706797_100000034017 [0,1,0,1,0,0|1,0,0]=3 13993 B15R1.10364 CCCC(=O)OCN1CCOC[C@@H](C1)O 2230a_100016073750_100000034017 [0,1,0,1,0,0|2,0,0]=4 13994 B15R1.10364 CCCC(=O)OCN1CCOC[C@@H](C1)O 269982a_100016073750_100000034017 [0,1,0,1,0,0|2,0,0]=4 13995 B15R1.10422 CCCC(=O)OCOC[C@@H](N)C1COC1 34a_217856628679_100000034017 [0,1,0,1,0,0|2,0,0]=4 13996 B15R1.10422 CCCC(=O)OCSCC(=O)C1CCC1 62a_100000686122_100000034017 [0,1,0,1,0,0|1,0,1]=4 13997 B15R1.11068 CCCOC1CN(C1)COC(=O)CCC 269982a_200020626125_100000034017 [0,1,0,1,0,0|2,0,0]=4 13998 B15R1.11068 CCCOC1CN(C1)COC(=O)CCC 34a_200020626125_100000034017 [0,1,0,1,0,0|2,0,0]=4 13999 B15R1.16362 CCCC(=O)OCNCC1(CCCC1)O 2230a_100000737848_100000034017 [0,1,0,1,0,0|1,0,0]=3 14000 B15R1.16362 CCCC(=O)OCOCC1(CCCC1)N 34a_100000749328_100000034017 [0,1,0,1,0,0|1,0,0]=3 14001 B15R1.16362 CCCC(=O)OCOC[C@@]1(CCCN1)C 34a_100016195882_100000034017 [0,1,0,1,0,0|2,0,0]=4 14002 B15R1.588 CCC(C)C(=O)N1CCCCC1CCO 240690a_100000211664_100011192722 [0,1,0,1,0,0|2,0,0]=4 14003 B15R1.588 CCC(C)C(=O)N1CCCCC1COC 11a_100015184032_100011192722 [0,1,0,1,0,0|2,0,0]=4 14004 B15R1.588 CCC(C)C(=O)N1CCCCC1COC 1626a_100015184032_100011192722 [0,1,0,1,0,0|2,0,0]=4 14005 B15R1.588 CCC(C)C(=O)N1CCCCC1COC 240690a_100015184032_100011192722 [0,1,0,1,0,0|2,0,0]=4 14006 B15R1.588 CCC(C)C(=O)N1CCCCC1COC 527a_100015184032_100011192722 [0,1,0,1,0,0|2,0,0]=4 14007 B15R1.588 CCC(O)C(=O)N1CCCCC1CCO 240690a_100000211664_100011196387 [0,1,0,1,0,0|2,0,0]=4 14008 B15R1.588 CCC(O)C(=O)N1CCCCC1COC 240690a_100015184032_100011196387 [0,1,0,1,0,0|2,0,0]=4 14009 B15R1.588 CCCC1CCCCN1C(=O)C(C)CC 11a_100000701414_100011192722 [0,1,0,1,0,0|1,0,0]=3 14010 B15R1.588 CCCC1CCCCN1C(=O)C(C)CC 1626a_100000701414_100011192722 [0,1,0,1,0,0|1,0,0]=3 14011 B15R1.588 CCCC1CCCCN1C(=O)C(C)CC 240690a_100000701414_100011192722 [0,1,0,1,0,0|1,0,0]=3 14012 B15R1.588 CCCC1CCCCN1C(=O)C(C)CC 527a_100000701414_100011192722 [0,1,0,1,0,0|1,0,0]=3 14013 B15R1.588 CCCC1CCCCN1C(=O)C(C)OC 11a_100000701414_100000743197 [0,1,0,1,0,0|2,0,0]=4 14014 B15R1.588 CCCC1CCCCN1C(=O)C(C)OC 1626a_100000701414_100000743197 [0,1,0,1,0,0|2,0,0]=4 14015 B15R1.588 CCCC1CCCCN1C(=O)C(C)OC 240690a_100000701414_100000743197 [0,1,0,1,0,0|2,0,0]=4 14016 B15R1.588 CCCC1CCCCN1C(=O)C(C)OC 527a_100000701414_100000743197 [0,1,0,1,0,0|2,0,0]=4 14017 B15R1.588 CCCC1CCCCN1C(=O)C(C)SC 11a_100000701414_100000149566 [0,1,0,1,0,0|2,0,0]=4 14018 B15R1.588 CCCC1CCCCN1C(=O)C(C)SC 1626a_100000701414_100000149566 [0,1,0,1,0,0|2,0,0]=4 14019 B15R1.588 CCCC1CCCCN1C(=O)C(C)SC 240690a_100000701414_100000149566 [0,1,0,1,0,0|2,0,0]=4 14020 B15R1.588 CCCC1CCCCN1C(=O)C(C)SC 527a_100000701414_100000149566 [0,1,0,1,0,0|2,0,0]=4 14021 B15R1.588 CCCC1CCCCN1C(=O)C(O)CC 240690a_100000701414_100011196387 [0,1,0,1,0,0|1,0,0]=3 14022 B15R1.588 CCCC1CCCCN1C(=O)C(O)CO 240690a_100000701414_100011215603 [0,1,0,1,0,0|2,0,0]=4 14023 B15R1.588 CCCC1COCCN1C(=O)C(C)CC 11a_102495339903_100011192722 [0,1,0,1,0,0|2,0,0]=4 14024 B15R1.588 CCCC1COCCN1C(=O)C(C)CC 1626a_102495339903_100011192722 [0,1,0,1,0,0|2,0,0]=4 14025 B15R1.588 CCCC1COCCN1C(=O)C(C)CC 240690a_102495339903_100011192722 [0,1,0,1,0,0|2,0,0]=4 14026 B15R1.588 CCCC1COCCN1C(=O)C(C)CC 527a_102495339903_100011192722 [0,1,0,1,0,0|2,0,0]=4 14027 B15R1.588 CCCC1COCCN1C(=O)C(O)CC 240690a_102495339903_100011196387 [0,1,0,1,0,0|2,0,0]=4 14028 B15R1.588 CCCN1CCCCC1C(=O)C(C)CC 1458a_100000743559_100000758301 [0,1,0,1,0,0|2,0,0]=4 14029 B15R1.1133 CCC(C)C(=O)NCC1CCCN1CC 11a_100000211693_100011192722 [0,1,0,1,0,0|2,0,0]=4 14030 B15R1.1133 CCC(C)C(=O)NCC1CCCN1CC 1626a_100000211693_100011192722 [0,1,0,1,0,0|2,0,0]=4 14031 B15R1.1133 CCC(C)C(=O)NCC1CCCN1CC 240690a_100000211693_100011192722 [0,1,0,1,0,0|2,0,0]=4 14032 B15R1.1133 CCC(C)C(=O)NCC1CCCN1CC 527a_100000211693_100011192722 [0,1,0,1,0,0|2,0,0]=4 14033 B15R1.1133 CCC(O)C(=O)NCC1CCCN1CC 240690a_100000211693_100011196387 [0,1,0,1,0,0|2,0,0]=4 14034 B15R1.1137 CNC1CCCCCCCCCCC1=O 2230a_106832991635_200009990614 [0,1,0,1,0,0|2,0,0]=4 14035 B15R1.1137 CNC1CCCCCCCCCCC1=O 34a_100102657272_200009990614 [0,1,0,1,0,0|2,0,0]=4 14036 B15R1.1137 CNC1CCCCCCCCCCC1=O 7a_106832991635_200009990614 [0,1,0,1,0,0|2,0,0]=4 14037 B15R1.1137 COC1CCCCCCCCCCC1=O 34a_100138415774_200009990614 [0,1,0,1,0,0|2,0,0]=4 14038 B15R1.1137 CSC1CCCCCCCCCCC1=O 62a_200000210301_200009990614 [0,1,0,1,0,0|2,0,0]=4 14039 B15R1.1137 CSC1CCCCCCCCCCC1=O 62a_200009990614_200000210301 [0,1,0,1,0,0|2,0,0]=4 14040 B15R1.1137 [13CH3]SC1CCCCCCCCCCC1=O 62a_200009990614_200025704644 [0,1,0,1,0,0|2,0,0]=4 14041 B15R1.1137 [13CH3]SC1CCCCCCCCCCC1=O 62a_200025704644_200009990614 [0,1,0,1,0,0|2,0,0]=4 14042 B15R1.1147 CCC(C)C(=O)NC1CCCCC1OC 11a_100011208099_100011192722 [0,1,0,1,0,0|2,0,0]=4 14043 B15R1.1147 CCC(C)C(=O)NC1CCCCC1OC 1626a_100011208099_100011192722 [0,1,0,1,0,0|2,0,0]=4 14044 B15R1.1147 CCC(C)C(=O)NC1CCCCC1OC 240690a_100011208099_100011192722 [0,1,0,1,0,0|2,0,0]=4 14045 B15R1.1147 CCC(C)C(=O)NC1CCCCC1OC 527a_100011208099_100011192722 [0,1,0,1,0,0|2,0,0]=4 14046 B15R1.1147 CCC(O)C(=O)NC1CCCCC1OC 240690a_100011208099_100011196387 [0,1,0,1,0,0|2,0,0]=4 14047 B15R1.1321 CCC(C)C(=O)CCCC1CCCCC1 1458a_100000211478_100000758301 [0,1,0,1,0,0|1,0,0]=3 14048 B15R1.1321 CCC(C)C(=O)CCCC1CCCCC1 1458a_100011192722_100011713725 [0,1,0,1,0,0|1,0,0]=3 14049 B15R1.1321 CCC(C)C(=O)CCCN1CCCCC1 1458a_100000742516_100000758301 [0,1,0,1,0,0|2,0,0]=4 14050 B15R1.1321 CCC(C)C(=O)CCCN1CCCCC1 1458a_100011192722_100000690320 [0,1,0,1,0,0|2,0,0]=4 14051 B15R1.1321 CCC(C)C(=O)CCOC1CCCCC1 1458a_100011192722_100011211530 [0,1,0,1,0,0|2,0,0]=4 14052 B15R1.1321 CCC(C)C(=O)NCCC1CCCCC1 11a_100000738074_100011192722 [0,1,0,1,0,0|1,0,0]=3 14053 B15R1.1321 CCC(C)C(=O)NCCC1CCCCC1 1626a_100000738074_100011192722 [0,1,0,1,0,0|1,0,0]=3 14054 B15R1.1321 CCC(C)C(=O)NCCC1CCCCC1 240690a_100000738074_100011192722 [0,1,0,1,0,0|1,0,0]=3 14055 B15R1.1321 CCC(C)C(=O)NCCC1CCCCC1 527a_100000738074_100011192722 [0,1,0,1,0,0|1,0,0]=3 14056 B15R1.1321 CCC(C)C(=O)NCCC1CCCCO1 11a_100015183643_100011192722 [0,1,0,1,0,0|2,0,0]=4 14057 B15R1.1321 CCC(C)C(=O)NCCC1CCCCO1 1626a_100015183643_100011192722 [0,1,0,1,0,0|2,0,0]=4 14058 B15R1.1321 CCC(C)C(=O)NCCC1CCCCO1 240690a_100015183643_100011192722 [0,1,0,1,0,0|2,0,0]=4 14059 B15R1.1321 CCC(C)C(=O)NCCC1CCCCO1 527a_100015183643_100011192722 [0,1,0,1,0,0|2,0,0]=4 14060 B15R1.1321 CCC(C)C(=O)NCCC1CCOCC1 11a_100000755988_100011192722 [0,1,0,1,0,0|2,0,0]=4 14061 B15R1.1321 CCC(C)C(=O)NCCC1CCOCC1 1626a_100000755988_100011192722 [0,1,0,1,0,0|2,0,0]=4 14062 B15R1.1321 CCC(C)C(=O)NCCC1CCOCC1 240690a_100000755988_100011192722 [0,1,0,1,0,0|2,0,0]=4 14063 B15R1.1321 CCC(C)C(=O)NCCC1CCOCC1 527a_100000755988_100011192722 [0,1,0,1,0,0|2,0,0]=4 14064 B15R1.1321 CCC(C)C(=O)NCCN1CCCCC1 240690a_100000216509_100011192722 [0,1,0,1,0,0|2,0,0]=4 14065 B15R1.1321 CCC(C)C(=O)NCCN1CCCCC1 527a_100000216509_100011192722 [0,1,0,1,0,0|2,0,0]=4 14066 B15R1.1321 CCC(C)C(=O)NNCC1CCCCC1 22a_100000740227_100011192722 [0,1,0,1,0,0|2,0,0]=4 14067 B15R1.1321 CCC(C)C(C)OCCC1CCCCC1 7a_100011215189_100011273959 [0,1,0,1,0,0|1,0,1]=4 14068 B15R1.1321 CCC(O)C(=O)CCCC1CCCCC1 1458a_100011196387_100011713725 [0,1,0,1,0,0|1,0,0]=3 14069 B15R1.1321 CCC(O)C(=O)CCCN1CCCCC1 1458a_100011196387_100000690320 [0,1,0,1,0,0|2,0,0]=4 14070 B15R1.1321 CCC(O)C(=O)CCOC1CCCCC1 1458a_100011196387_100011211530 [0,1,0,1,0,0|2,0,0]=4 14071 B15R1.1321 CCC(O)C(=O)NCCC1CCCCC1 240690a_100000738074_100011196387 [0,1,0,1,0,0|1,0,0]=3 14072 B15R1.1321 CCC(O)C(=O)NCCC1CCCCO1 240690a_100015183643_100011196387 [0,1,0,1,0,0|2,0,0]=4 14073 B15R1.1321 CCC(O)C(=O)NCCC1CCOCC1 240690a_100000755988_100011196387 [0,1,0,1,0,0|2,0,0]=4 14074 B15R1.1321 CCC(O)C(=O)NCCN1CCCCC1 240690a_100000216509_100011196387 [0,1,0,1,0,0|2,0,0]=4 14075 B15R1.1321 CCC(O)C(=O)NNCC1CCCCC1 22a_100000740227_100011196387 [0,1,0,1,0,0|2,0,0]=4 14076 B15R1.1321 CCN(C)C(=O)CCCC1CCCCC1 11a_100000225621_100000211478 [0,1,0,1,0,0|2,0,0]=4 14077 B15R1.1321 CCN(C)C(=O)CCCC1CCCCC1 1626a_100000225621_100000211478 [0,1,0,1,0,0|2,0,0]=4 14078 B15R1.1321 CCN(C)C(=O)CCCC1CCCCC1 240690a_100000225621_100000211478 [0,1,0,1,0,0|2,0,0]=4 14079 B15R1.1321 CCN(C)C(=O)CCCC1CCCCC1 527a_100000225621_100000211478 [0,1,0,1,0,0|2,0,0]=4 14080 B15R1.1321 CCN(C)C(=O)NCCC1CCCCC1 2708a_100000738074_100000225621 [0,1,0,1,0,0|2,0,0]=4 14081 B15R1.1321 CCN(C)C(=O)NCCC1CCCCC1 273464a_100000738074_100000225621 [0,1,0,1,0,0|2,0,0]=4 14082 B15R1.1321 COC(C)C(=O)CCCC1CCCCC1 1458a_100000743197_100011713725 [0,1,0,1,0,0|2,0,0]=4 14083 B15R1.1321 COC(C)C(=O)NCCC1CCCCC1 11a_100000738074_100000743197 [0,1,0,1,0,0|2,0,0]=4 14084 B15R1.1321 COC(C)C(=O)NCCC1CCCCC1 1626a_100000738074_100000743197 [0,1,0,1,0,0|2,0,0]=4 14085 B15R1.1321 COC(C)C(=O)NCCC1CCCCC1 240690a_100000738074_100000743197 [0,1,0,1,0,0|2,0,0]=4 14086 B15R1.1321 COC(C)C(=O)NCCC1CCCCC1 527a_100000738074_100000743197 [0,1,0,1,0,0|2,0,0]=4 14087 B15R1.1321 CSC(C)C(=O)CCCC1CCCCC1 1458a_100000149566_100011713725 [0,1,0,1,0,0|2,0,0]=4 14088 B15R1.1321 CSC(C)C(=O)NCCC1CCCCC1 11a_100000738074_100000149566 [0,1,0,1,0,0|2,0,0]=4 14089 B15R1.1321 CSC(C)C(=O)NCCC1CCCCC1 1626a_100000738074_100000149566 [0,1,0,1,0,0|2,0,0]=4 14090 B15R1.1321 CSC(C)C(=O)NCCC1CCCCC1 240690a_100000738074_100000149566 [0,1,0,1,0,0|2,0,0]=4 14091 B15R1.1321 CSC(C)C(=O)NCCC1CCCCC1 527a_100000738074_100000149566 [0,1,0,1,0,0|2,0,0]=4 14092 B15R1.1321 O=C(CCCC1CCCCC1)C(O)CO 1458a_100011215603_100011713725 [0,1,0,1,0,0|2,0,0]=4 14093 B15R1.1321 O=C(NCCC1CCCCC1)C(O)CO 240690a_100000738074_100011215603 [0,1,0,1,0,0|2,0,0]=4 14094 B15R1.1323 CCC(C)C(=O)CCC1CCCCN1C 1458a_100000718493_100000758301 [0,1,0,1,0,0|2,0,0]=4 14095 B15R1.1323 CCC(C)C(=O)CCC1CCCCN1C 1458a_100011192722_100000211948 [0,1,0,1,0,0|2,0,0]=4 14096 B15R1.1323 CCC(C)C(=O)COC1CCCCC1C 1458a_100011223357_100000758301 [0,1,0,1,0,0|2,0,0]=4 14097 B15R1.1323 CCC(C)C(=O)NCC1CCCCC1O 240690a_100011216029_100011192722 [0,1,0,1,0,0|2,0,0]=4 14098 B15R1.1323 CCC(C)C(=O)NCC1CCCCC1O 527a_100011216029_100011192722 [0,1,0,1,0,0|2,0,0]=4 14099 B15R1.1323 CCC(C)C(=O)NCC1CCCCN1C 240690a_100011228421_100011192722 [0,1,0,1,0,0|2,0,0]=4 14100 B15R1.1323 CCC(C)C(=O)NCC1CCCCN1C 527a_100011228421_100011192722 [0,1,0,1,0,0|2,0,0]=4 14101 B15R1.1323 CCC(O)C(=O)CCC1CCCCN1C 1458a_100011196387_100000211948 [0,1,0,1,0,0|2,0,0]=4 14102 B15R1.1323 CCC(O)C(=O)NCC1CCCCC1O 240690a_100011216029_100011196387 [0,1,0,1,0,0|2,0,0]=4 14103 B15R1.1323 CCC(O)C(=O)NCC1CCCCN1C 240690a_100011228421_100011196387 [0,1,0,1,0,0|2,0,0]=4 14104 B15R1.1332 CCC(C)C(=O)NCCCC1CCCC1 11a_100000736752_100011192722 [0,1,0,1,0,0|1,0,0]=3 14105 B15R1.1332 CCC(C)C(=O)NCCCC1CCCC1 1626a_100000736752_100011192722 [0,1,0,1,0,0|1,0,0]=3 14106 B15R1.1332 CCC(C)C(=O)NCCCC1CCCC1 240690a_100000736752_100011192722 [0,1,0,1,0,0|1,0,0]=3 14107 B15R1.1332 CCC(C)C(=O)NCCCC1CCCC1 527a_100000736752_100011192722 [0,1,0,1,0,0|1,0,0]=3 14108 B15R1.1332 CCC(C)C(=O)NCCCN1CCCC1 240690a_100000204695_100011192722 [0,1,0,1,0,0|2,0,0]=4 14109 B15R1.1332 CCC(C)C(=O)NCCOC1CCCC1 11a_100000741755_100011192722 [0,1,0,1,0,0|2,0,0]=4 14110 B15R1.1332 CCC(C)C(=O)NCCOC1CCCC1 1626a_100000741755_100011192722 [0,1,0,1,0,0|2,0,0]=4 14111 B15R1.1332 CCC(C)C(=O)NCCOC1CCCC1 240690a_100000741755_100011192722 [0,1,0,1,0,0|2,0,0]=4 14112 B15R1.1332 CCC(C)C(=O)NCCOC1CCCC1 527a_100000741755_100011192722 [0,1,0,1,0,0|2,0,0]=4 14113 B15R1.1332 CCC(C)C(C)OCCCC1CCCC1 7a_100011215189_100011713738 [0,1,0,1,0,0|1,0,1]=4 14114 B15R1.1332 CCC(O)C(=O)NCCCC1CCCC1 240690a_100000736752_100011196387 [0,1,0,1,0,0|1,0,0]=3 14115 B15R1.1332 CCC(O)C(=O)NCCCN1CCCC1 240690a_100000204695_100011196387 [0,1,0,1,0,0|2,0,0]=4 14116 B15R1.1332 CCC(O)C(=O)NCCOC1CCCC1 240690a_100000741755_100011196387 [0,1,0,1,0,0|2,0,0]=4 14117 B15R1.1332 CCN(C)C(=O)NCCCC1CCCC1 2708a_100000736752_100000225621 [0,1,0,1,0,0|2,0,0]=4 14118 B15R1.1332 CCN(C)C(=O)NCCCC1CCCC1 273464a_100000736752_100000225621 [0,1,0,1,0,0|2,0,0]=4 14119 B15R1.1332 COC(C)C(=O)NCCCC1CCCC1 11a_100000736752_100000743197 [0,1,0,1,0,0|2,0,0]=4 14120 B15R1.1332 COC(C)C(=O)NCCCC1CCCC1 1626a_100000736752_100000743197 [0,1,0,1,0,0|2,0,0]=4 14121 B15R1.1332 COC(C)C(=O)NCCCC1CCCC1 240690a_100000736752_100000743197 [0,1,0,1,0,0|2,0,0]=4 14122 B15R1.1332 COC(C)C(=O)NCCCC1CCCC1 527a_100000736752_100000743197 [0,1,0,1,0,0|2,0,0]=4 14123 B15R1.1332 CSC(C)C(=O)NCCCC1CCCC1 11a_100000736752_100000149566 [0,1,0,1,0,0|2,0,0]=4 14124 B15R1.1332 CSC(C)C(=O)NCCCC1CCCC1 1626a_100000736752_100000149566 [0,1,0,1,0,0|2,0,0]=4 14125 B15R1.1332 CSC(C)C(=O)NCCCC1CCCC1 240690a_100000736752_100000149566 [0,1,0,1,0,0|2,0,0]=4 14126 B15R1.1332 CSC(C)C(=O)NCCCC1CCCC1 527a_100000736752_100000149566 [0,1,0,1,0,0|2,0,0]=4 14127 B15R1.1332 O=C(NCCCC1CCCC1)C(O)CO 240690a_100000736752_100011215603 [0,1,0,1,0,0|2,0,0]=4 14128 B15R1.1417 CCC(C)C(=O)NCCC1CCCN1C 240690a_100011219722_100011192722 [0,1,0,1,0,0|2,0,0]=4 14129 B15R1.1417 CCC(C)C(=O)NCCC1CCCN1C 527a_100011219722_100011192722 [0,1,0,1,0,0|2,0,0]=4 14130 B15R1.1417 CCC(O)C(=O)NCCC1CCCN1C 240690a_100011219722_100011196387 [0,1,0,1,0,0|2,0,0]=4 14131 B15R1.2772 CCC(C)C(=O)N1CCCCCCCC1 11a_100000039187_100011192722 [0,1,0,1,0,0|1,0,0]=3 14132 B15R1.2772 CCC(C)C(=O)N1CCCCCCCC1 1626a_100000039187_100011192722 [0,1,0,1,0,0|1,0,0]=3 14133 B15R1.2772 CCC(C)C(=O)N1CCCCCCCC1 240690a_100000039187_100011192722 [0,1,0,1,0,0|1,0,0]=3 14134 B15R1.2772 CCC(C)C(=O)N1CCCCCCCC1 527a_100000039187_100011192722 [0,1,0,1,0,0|1,0,0]=3 14135 B15R1.2772 CCC(O)C(=O)N1CCCCCCCC1 240690a_100000039187_100011196387 [0,1,0,1,0,0|1,0,0]=3 14136 B15R1.2772 COC(C)C(=O)N1CCCCCCCC1 11a_100000039187_100000743197 [0,1,0,1,0,0|2,0,0]=4 14137 B15R1.2772 COC(C)C(=O)N1CCCCCCCC1 1626a_100000039187_100000743197 [0,1,0,1,0,0|2,0,0]=4 14138 B15R1.2772 COC(C)C(=O)N1CCCCCCCC1 240690a_100000039187_100000743197 [0,1,0,1,0,0|2,0,0]=4 14139 B15R1.2772 COC(C)C(=O)N1CCCCCCCC1 527a_100000039187_100000743197 [0,1,0,1,0,0|2,0,0]=4 14140 B15R1.2772 CSC(C)C(=O)N1CCCCCCCC1 11a_100000039187_100000149566 [0,1,0,1,0,0|2,0,0]=4 14141 B15R1.2772 CSC(C)C(=O)N1CCCCCCCC1 1626a_100000039187_100000149566 [0,1,0,1,0,0|2,0,0]=4 14142 B15R1.2772 CSC(C)C(=O)N1CCCCCCCC1 240690a_100000039187_100000149566 [0,1,0,1,0,0|2,0,0]=4 14143 B15R1.2772 CSC(C)C(=O)N1CCCCCCCC1 527a_100000039187_100000149566 [0,1,0,1,0,0|2,0,0]=4 14144 B15R1.2772 O=C(C(O)CO)N1CCCCCCCC1 240690a_100000039187_100011215603 [0,1,0,1,0,0|2,0,0]=4 14145 B15R1.2792 CCC(C)C(=O)CCN1CCCCCC1 1458a_100000740320_100000758301 [0,1,0,1,0,0|2,0,0]=4 14146 B15R1.2792 CCC(C)C(=O)CCN1CCCCCC1 1458a_100011192722_100000722644 [0,1,0,1,0,0|2,0,0]=4 14147 B15R1.2792 CCC(C)C(=O)NCC1CCCCCC1 11a_100015204231_100011192722 [0,1,0,1,0,0|1,0,0]=3 14148 B15R1.2792 CCC(C)C(=O)NCC1CCCCCC1 1626a_100015204231_100011192722 [0,1,0,1,0,0|1,0,0]=3 14149 B15R1.2792 CCC(C)C(=O)NCC1CCCCCC1 240690a_100015204231_100011192722 [0,1,0,1,0,0|1,0,0]=3 14150 B15R1.2792 CCC(C)C(=O)NCC1CCCCCC1 527a_100015204231_100011192722 [0,1,0,1,0,0|1,0,0]=3 14151 B15R1.2792 CCC(C)C(C)OCC1CCCCCC1 7a_100011215189_200000696569 [0,1,0,1,0,0|1,0,1]=4 14152 B15R1.2792 CCC(O)C(=O)CCN1CCCCCC1 1458a_100011196387_100000722644 [0,1,0,1,0,0|2,0,0]=4 14153 B15R1.2792 CCC(O)C(=O)NCC1CCCCCC1 240690a_100015204231_100011196387 [0,1,0,1,0,0|1,0,0]=3 14154 B15R1.2792 CCN(C)C(=O)NCC1CCCCCC1 2708a_100015204231_100000225621 [0,1,0,1,0,0|2,0,0]=4 14155 B15R1.2792 CCN(C)C(=O)NCC1CCCCCC1 273464a_100015204231_100000225621 [0,1,0,1,0,0|2,0,0]=4 14156 B15R1.2792 COC(C)C(=O)NCC1CCCCCC1 11a_100015204231_100000743197 [0,1,0,1,0,0|2,0,0]=4 14157 B15R1.2792 COC(C)C(=O)NCC1CCCCCC1 1626a_100015204231_100000743197 [0,1,0,1,0,0|2,0,0]=4 14158 B15R1.2792 COC(C)C(=O)NCC1CCCCCC1 240690a_100015204231_100000743197 [0,1,0,1,0,0|2,0,0]=4 14159 B15R1.2792 COC(C)C(=O)NCC1CCCCCC1 527a_100015204231_100000743197 [0,1,0,1,0,0|2,0,0]=4 14160 B15R1.2792 CSC(C)C(=O)NCC1CCCCCC1 11a_100015204231_100000149566 [0,1,0,1,0,0|2,0,0]=4 14161 B15R1.2792 CSC(C)C(=O)NCC1CCCCCC1 1626a_100015204231_100000149566 [0,1,0,1,0,0|2,0,0]=4 14162 B15R1.2792 CSC(C)C(=O)NCC1CCCCCC1 240690a_100015204231_100000149566 [0,1,0,1,0,0|2,0,0]=4 14163 B15R1.2792 CSC(C)C(=O)NCC1CCCCCC1 527a_100015204231_100000149566 [0,1,0,1,0,0|2,0,0]=4 14164 B15R1.2792 O=C(NCC1CCCCCC1)C(O)CO 240690a_100015204231_100011215603 [0,1,0,1,0,0|2,0,0]=4 14165 B15R1.2966 CCC(C)C(=O)NC1CCCCCCC1 11a_100000211152_100011192722 [0,1,0,1,0,0|1,0,0]=3 14166 B15R1.2966 CCC(C)C(=O)NC1CCCCCCC1 1626a_100000211152_100011192722 [0,1,0,1,0,0|1,0,0]=3 14167 B15R1.2966 CCC(C)C(=O)NC1CCCCCCC1 240690a_100000211152_100011192722 [0,1,0,1,0,0|1,0,0]=3 14168 B15R1.2966 CCC(C)C(=O)NC1CCCCCCC1 527a_100000211152_100011192722 [0,1,0,1,0,0|1,0,0]=3 14169 B15R1.2966 CCC(O)C(=O)NC1CCCCCCC1 240690a_100000211152_100011196387 [0,1,0,1,0,0|1,0,0]=3 14170 B15R1.2966 CCN(C)C(=O)NC1CCCCCCC1 2708a_100000211152_100000225621 [0,1,0,1,0,0|2,0,0]=4 14171 B15R1.2966 CCN(C)C(=O)NC1CCCCCCC1 273464a_100000211152_100000225621 [0,1,0,1,0,0|2,0,0]=4 14172 B15R1.2966 COC(C)C(=O)NC1CCCCCCC1 11a_100000211152_100000743197 [0,1,0,1,0,0|2,0,0]=4 14173 B15R1.2966 COC(C)C(=O)NC1CCCCCCC1 1626a_100000211152_100000743197 [0,1,0,1,0,0|2,0,0]=4 14174 B15R1.2966 COC(C)C(=O)NC1CCCCCCC1 240690a_100000211152_100000743197 [0,1,0,1,0,0|2,0,0]=4 14175 B15R1.2966 COC(C)C(=O)NC1CCCCCCC1 527a_100000211152_100000743197 [0,1,0,1,0,0|2,0,0]=4 14176 B15R1.2966 CSC(C)C(=O)NC1CCCCCCC1 11a_100000211152_100000149566 [0,1,0,1,0,0|2,0,0]=4 14177 B15R1.2966 CSC(C)C(=O)NC1CCCCCCC1 1626a_100000211152_100000149566 [0,1,0,1,0,0|2,0,0]=4 14178 B15R1.2966 CSC(C)C(=O)NC1CCCCCCC1 240690a_100000211152_100000149566 [0,1,0,1,0,0|2,0,0]=4 14179 B15R1.2966 CSC(C)C(=O)NC1CCCCCCC1 527a_100000211152_100000149566 [0,1,0,1,0,0|2,0,0]=4 14180 B15R1.2966 O=C(NC1CCCCCCC1)C(O)CO 240690a_100000211152_100011215603 [0,1,0,1,0,0|2,0,0]=4 14181 B15R1.9714 CCCCCCCC=CC(=O)C1CCC1 1458a_200015332781_100000749161 [0,1,0,1,0,0|1,0,1]=4 14182 B15R1.9714 CCCCCCCC=CC(=O)C1COC1 1458a_200015332781_100000687716 [0,1,0,1,0,0|1,0,1]=4 14183 B15R1.9714 CCCCCCCC=CC(=O)N1CCC1 11a_100000754969_200015332781 [0,1,0,1,0,0|1,0,1]=4 14184 B15R1.9714 CCCCCCCC=CC(=O)N1CCC1 240690a_100000754969_200015332781 [0,1,0,1,0,0|1,0,1]=4 14185 B15R1.9714 CCCCCCCCCC(=O)C1CCC1 1458a_100000209988_100000210670 [0,1,0,1,0,0|1,0,0]=3 14186 B15R1.9714 CCCCCCCCCC(=O)C1CCC1 1458a_100000210558_100000749161 [0,1,0,1,0,0|1,0,0]=3 14187 B15R1.9714 CCCCCCCCCC(=O)C1CCO1 1458a_100000089072_100000210670 [0,1,0,1,0,0|1,0,0]=3 14188 B15R1.9714 CCCCCCCCCC(=O)C1COC1 1458a_100000210558_100000687716 [0,1,0,1,0,0|1,0,0]=3 14189 B15R1.9714 CCCCCCCCCC(=O)C1COC1 1458a_100000758290_100000210670 [0,1,0,1,0,0|1,0,0]=3 14190 B15R1.9714 CCCCCCCCCC(=O)N1CCC1 11a_100000754969_100000210558 [0,1,0,1,0,0|1,0,0]=3 14191 B15R1.9714 CCCCCCCCCC(=O)N1CCC1 240690a_100000754969_100000210558 [0,1,0,1,0,0|1,0,0]=3 14192 B15R1.9714 CCCCCCCCCC(=O)N1CCC1 527a_100000754969_100000210558 [0,1,0,1,0,0|1,0,0]=3 14193 B15R1.9714 CCCCCCCCNC(=O)C1CCC1 11a_100000229939_100000209988 [0,1,0,1,0,0|1,0,0]=3 14194 B15R1.9714 CCCCCCCCNC(=O)C1CCC1 1626a_100000229939_100000209988 [0,1,0,1,0,0|1,0,0]=3 14195 B15R1.9714 CCCCCCCCNC(=O)C1CCC1 240690a_100000229939_100000209988 [0,1,0,1,0,0|1,0,0]=3 14196 B15R1.9714 CCCCCCCCNC(=O)C1CCC1 527a_100000229939_100000209988 [0,1,0,1,0,0|1,0,0]=3 14197 B15R1.9714 CCCCCCCCNC(=O)C1CCO1 11a_100000229939_100000089072 [0,1,0,1,0,0|1,0,0]=3 14198 B15R1.9714 CCCCCCCCNC(=O)C1CCO1 1626a_100000229939_100000089072 [0,1,0,1,0,0|1,0,0]=3 14199 B15R1.9714 CCCCCCCCNC(=O)C1CCO1 240690a_100000229939_100000089072 [0,1,0,1,0,0|1,0,0]=3 14200 B15R1.9714 CCCCCCCCNC(=O)C1CCO1 527a_100000229939_100000089072 [0,1,0,1,0,0|1,0,0]=3 14201 B15R1.9714 CCCCCCCCNC(=O)C1COC1 11a_100000229939_100000758290 [0,1,0,1,0,0|1,0,0]=3 14202 B15R1.9714 CCCCCCCCNC(=O)C1COC1 1626a_100000229939_100000758290 [0,1,0,1,0,0|1,0,0]=3 14203 B15R1.9714 CCCCCCCCNC(=O)C1COC1 240690a_100000229939_100000758290 [0,1,0,1,0,0|1,0,0]=3 14204 B15R1.9714 CCCCCCCCNC(=O)C1COC1 527a_100000229939_100000758290 [0,1,0,1,0,0|1,0,0]=3 14205 B15R1.9714 CCCCCCCCNC(=O)N1CCC1 2708a_100000229939_100000754969 [0,1,0,1,0,0|1,0,0]=3 14206 B15R1.9714 CCCCCCCCNC(=O)N1CCC1 273464a_100000229939_100000754969 [0,1,0,1,0,0|1,0,0]=3 14207 B15R1.9714 CCCCCCCCOC(C)C1CCC1 34a_100000766398_100000210759 [0,1,0,1,0,0|1,0,1]=4 14208 B15R1.9714 CCCCCCCCOC(C)C1CCC1 7a_100000766398_100000210759 [0,1,0,1,0,0|1,0,1]=4 14209 B15R1.9714 CCCCCCCNCC(=O)C1CCC1 2230a_100000229938_100000686122 [0,1,0,1,0,0|2,0,0]=4 14210 B15R1.9714 CCCCCCCNCC(=O)N1CCC1 2230a_100000229938_100000185095 [0,1,0,1,0,0|2,0,0]=4 14211 B15R1.9714 CCCCCCCOCC(=O)C1CCC1 34a_100000210272_100000686122 [0,1,0,1,0,0|2,0,0]=4 14212 B15R1.9714 CCCCCCCOCC(=O)C1CCC1 7a_100000210272_100000686122 [0,1,0,1,0,0|2,0,0]=4 14213 B15R1.9714 CCCCCCCOCC(=O)N1CCC1 34a_100000210272_100000185095 [0,1,0,1,0,0|2,0,0]=4 14214 B15R1.9714 CCCCCCCOCC(=O)N1CCC1 7a_100000210272_100000185095 [0,1,0,1,0,0|2,0,0]=4 14215 B15R1.9714 CCCCCCCSCC(=O)C1CCC1 62a_100000210614_100000686122 [0,1,0,1,0,0|2,0,0]=4 14216 B15R1.9714 CCCCCCCSCC(=O)C1CCC1 62a_100000686122_100000210316 [0,1,0,1,0,0|2,0,0]=4 14217 B15R1.9714 CCCCCCCSCC(=O)N1CCC1 62a_100000185095_100000210316 [0,1,0,1,0,0|2,0,0]=4 14218 B15R1.9714 CCCCCCCSCC(=O)N1CCC1 62a_100000210614_100000185095 [0,1,0,1,0,0|2,0,0]=4 14219 B15R1.9714 CCCCCNCCNC(=O)C1CCC1 2230a_100000723847_100000210326 [0,1,0,1,0,0|2,0,0]=4 14220 B15R1.9714 CCCCCNCCNC(=O)C1CCC1 34a_100000723847_100000718602 [0,1,0,1,0,0|2,0,0]=4 14221 B15R1.9714 CCCCOCCCNC(=O)C1CCC1 1626a_200000211371_100000209988 [0,1,0,1,0,0|2,0,0]=4 14222 B15R1.9714 CCCCOCCCNC(=O)C1CCC1 240690a_200000211371_100000209988 [0,1,0,1,0,0|2,0,0]=4 14223 B15R1.9714 CCCCOCCCNC(=O)C1CCC1 527a_200000211371_100000209988 [0,1,0,1,0,0|2,0,0]=4 14224 B15R1.9714 CCCCOCCCNC(=O)C1CCO1 1626a_200000211371_100000089072 [0,1,0,1,0,0|2,0,0]=4 14225 B15R1.9714 CCCCOCCCNC(=O)C1CCO1 240690a_200000211371_100000089072 [0,1,0,1,0,0|2,0,0]=4 14226 B15R1.9714 CCCCOCCCNC(=O)C1CCO1 527a_200000211371_100000089072 [0,1,0,1,0,0|2,0,0]=4 14227 B15R1.9714 CCCCOCCCNC(=O)C1COC1 1626a_200000211371_100000758290 [0,1,0,1,0,0|2,0,0]=4 14228 B15R1.9714 CCCCOCCCNC(=O)C1COC1 240690a_200000211371_100000758290 [0,1,0,1,0,0|2,0,0]=4 14229 B15R1.9714 CCCCOCCCNC(=O)C1COC1 527a_200000211371_100000758290 [0,1,0,1,0,0|2,0,0]=4 14230 B15R1.9714 CCCCOCCCNC(=O)N1CCC1 2708a_200000211371_100000754969 [0,1,0,1,0,0|2,0,0]=4 14231 B15R1.9714 CCCCOCCCNC(=O)N1CCC1 273464a_200000211371_100000754969 [0,1,0,1,0,0|2,0,0]=4 14232 B15R1.9714 O=C(CCCCCCCCO)C1CCC1 1458a_100000209988_100000033203 [0,1,0,1,0,0|2,0,0]=4 14233 B15R1.9714 O=C(CCCCCCCCO)C1CCO1 1458a_100000089072_100000033203 [0,1,0,1,0,0|2,0,0]=4 14234 B15R1.9714 O=C(CCCCCCCCO)C1COC1 1458a_100000758290_100000033203 [0,1,0,1,0,0|2,0,0]=4 14235 B15R1.9714 O=C(CCCCCCCCO)N1CCC1 240690a_100000754969_100000015970 [0,1,0,1,0,0|2,0,0]=4 14236 B15R1.9714 O=C(NCCCCCCCO)C1CCC1 240690a_100011996573_100000209988 [0,1,0,1,0,0|2,0,0]=4 14237 B15R1.9714 O=C(NCCCCCCCO)C1CCO1 240690a_100011996573_100000089072 [0,1,0,1,0,0|2,0,0]=4 14238 B15R1.9714 O=C(NCCCCCCCO)C1COC1 240690a_100011996573_100000758290 [0,1,0,1,0,0|2,0,0]=4 14239 B15R1.9714 O=C(NCCCCCCCO)N1CCC1 2708a_100011996573_100000754969 [0,1,0,1,0,0|2,0,0]=4 14240 B15R1.9714 O=C(NCCCCCCCO)N1CCC1 273464a_100011996573_100000754969 [0,1,0,1,0,0|2,0,0]=4 14241 B15R1.9715 CC1(CC1)C(=O)CCCCCCCCO 1458a_100000756474_100000033203 [0,1,0,1,0,0|2,0,0]=4 14242 B15R1.9715 CC1(CC1)C(=O)NCCCCCCCO 240690a_100011996573_100000756474 [0,1,0,1,0,0|2,0,0]=4 14243 B15R1.9715 CCCCCCCCCC(=O)C1(CC1)C 1458a_100000756474_100000210670 [0,1,0,1,0,0|1,0,0]=3 14244 B15R1.9715 CCCCCCCCCC(=O)C1(CC1)F 1458a_100000055089_100000210670 [0,1,0,1,0,0|1,0,0]=3 14245 B15R1.9715 CCCCCCCCCC(=O)C1(CC1)O 1458a_100000241761_100000210670 [0,1,0,1,0,0|1,0,0]=3 14246 B15R1.9715 CCCCCCCCNC(=O)C1(CC1)C 11a_100000229939_100000756474 [0,1,0,1,0,0|1,0,0]=3 14247 B15R1.9715 CCCCCCCCNC(=O)C1(CC1)C 1626a_100000229939_100000756474 [0,1,0,1,0,0|1,0,0]=3 14248 B15R1.9715 CCCCCCCCNC(=O)C1(CC1)C 240690a_100000229939_100000756474 [0,1,0,1,0,0|1,0,0]=3 14249 B15R1.9715 CCCCCCCCNC(=O)C1(CC1)C 527a_100000229939_100000756474 [0,1,0,1,0,0|1,0,0]=3 14250 B15R1.9715 CCCCCCCCNC(=O)C1(CC1)F 11a_100000229939_100000055089 [0,1,0,1,0,0|1,0,0]=3 14251 B15R1.9715 CCCCCCCCNC(=O)C1(CC1)F 1626a_100000229939_100000055089 [0,1,0,1,0,0|1,0,0]=3 14252 B15R1.9715 CCCCCCCCNC(=O)C1(CC1)F 240690a_100000229939_100000055089 [0,1,0,1,0,0|1,0,0]=3 14253 B15R1.9715 CCCCCCCCNC(=O)C1(CC1)F 527a_100000229939_100000055089 [0,1,0,1,0,0|1,0,0]=3 14254 B15R1.9715 CCCCCCCCNC(=O)C1(CC1)O 240690a_100000229939_100000241761 [0,1,0,1,0,0|1,0,0]=3 14255 B15R1.9715 CCCCOCCCNC(=O)C1(CC1)C 1626a_200000211371_100000756474 [0,1,0,1,0,0|2,0,0]=4 14256 B15R1.9715 CCCCOCCCNC(=O)C1(CC1)C 240690a_200000211371_100000756474 [0,1,0,1,0,0|2,0,0]=4 14257 B15R1.9715 CCCCOCCCNC(=O)C1(CC1)C 527a_200000211371_100000756474 [0,1,0,1,0,0|2,0,0]=4 14258 B15R1.9715 CCCCOCCCNC(=O)C1(CC1)F 1626a_200000211371_100000055089 [0,1,0,1,0,0|2,0,0]=4 14259 B15R1.9715 CCCCOCCCNC(=O)C1(CC1)F 240690a_200000211371_100000055089 [0,1,0,1,0,0|2,0,0]=4 14260 B15R1.9715 CCCCOCCCNC(=O)C1(CC1)F 527a_200000211371_100000055089 [0,1,0,1,0,0|2,0,0]=4 14261 B15R1.9715 CCCCOCCCNC(=O)C1(CC1)O 240690a_200000211371_100000241761 [0,1,0,1,0,0|2,0,0]=4 14262 B15R1.9715 O=C(CCCCCCCCO)C1(CC1)F 1458a_100000055089_100000033203 [0,1,0,1,0,0|2,0,0]=4 14263 B15R1.9715 O=C(CCCCCCCCO)C1(CC1)O 1458a_100000241761_100000033203 [0,1,0,1,0,0|2,0,0]=4 14264 B15R1.9715 O=C(NCCCCCCCO)C1(CC1)F 240690a_100011996573_100000055089 [0,1,0,1,0,0|2,0,0]=4 14265 B15R1.9715 O=C(NCCCCCCCO)C1(CC1)O 240690a_100011996573_100000241761 [0,1,0,1,0,0|2,0,0]=4 14266 B15R1.32334 CCCCCN1CCNC(=O)C1(C)CC 2230a_100011653952_100000210326 [0,1,0,1,0,0|2,0,0]=4 14267 B15R1.32334 CCCCCN1CCNC(=O)C1(C)CC 269982a_100011653952_100000210215 [0,1,0,1,0,0|2,0,0]=4 14268 B15R1.32334 CCCCCN1CCNC(=O)C1(C)CC 34a_100011653952_100000718602 [0,1,0,1,0,0|2,0,0]=4 14269 B15R1.40557 CC1CC1C(=O)CCCCCCCCO 1458a_100000211227_100000033203 [0,1,0,1,0,0|2,0,0]=4 14270 B15R1.40557 CCCCCCCCCC(=O)C1CC1C 1458a_100000211227_100000210670 [0,1,0,1,0,0|1,0,0]=3 14271 B15R1.40557 CCCCCCCCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210670 [0,1,0,1,0,0|1,0,0]=3 14272 B15R1.40557 CCCCCCCCNC(=O)C1CC1C 11a_100000229939_100000211227 [0,1,0,1,0,0|1,0,0]=3 14273 B15R1.40557 CCCCCCCCNC(=O)C1CC1C 1626a_100000229939_100000211227 [0,1,0,1,0,0|1,0,0]=3 14274 B15R1.40557 CCCCCCCCNC(=O)C1CC1C 527a_100000229939_100000211227 [0,1,0,1,0,0|1,0,0]=3 14275 B15R1.40557 CCCCCCCCNC(=O)[C@@H]1C[C@@H]1F 11a_100000229939_100015396687 [0,1,0,1,0,0|1,0,0]=3 14276 B15R1.40557 CCCCCCCCNC(=O)[C@@H]1C[C@@H]1F 240690a_100000229939_100015396687 [0,1,0,1,0,0|1,0,0]=3 14277 B15R1.40557 CCCCCCCCNC(=O)[C@@H]1C[C@@H]1F 527a_100000229939_100015396687 [0,1,0,1,0,0|1,0,0]=3 14278 B15R1.40557 CCCCOCCCNC(=O)C1CC1C 1626a_200000211371_100000211227 [0,1,0,1,0,0|2,0,0]=4 14279 B15R1.40557 CCCCOCCCNC(=O)C1CC1C 527a_200000211371_100000211227 [0,1,0,1,0,0|2,0,0]=4 14280 B15R1.40557 CCCCOCCCNC(=O)[C@@H]1C[C@@H]1F 240690a_200000211371_100015396687 [0,1,0,1,0,0|2,0,0]=4 14281 B15R1.40557 CCCCOCCCNC(=O)[C@@H]1C[C@@H]1F 527a_200000211371_100015396687 [0,1,0,1,0,0|2,0,0]=4 14282 B15R1.40557 O=C(CCCCCCCCO)[C@@H]1C[C@@H]1F 1458a_100015396687_100000033203 [0,1,0,1,0,0|2,0,0]=4 14283 B15R1.40557 O=C(NCCCCCCCO)[C@@H]1C[C@@H]1F 240690a_100011996573_100015396687 [0,1,0,1,0,0|2,0,0]=4 14284 B15R1.31 CCCCCCC(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_100000210757 [0,1,0,1,0,0|1,0,1]=4 14285 B15R1.89 CCCC(=O)CCC(C)N1CCCCC1 1458a_100015185227_100000210303 [0,1,0,1,0,0|2,0,0]=4 14286 B15R1.89 CCCC(=O)CN[C@H](C)C1CCCCC1 2230a_100025707633_100000747444 [0,1,0,1,0,0|2,0,0]=4 14287 B15R1.89 CCCC(=O)COC(C)C1CCCCC1 7a_100011216961_100000747444 [0,1,0,1,0,0|2,0,0]=4 14288 B15R1.89 CCCC(=O)OCC(=O)C1CCCCC1 1458a_100000210647_100000034017 [0,1,0,1,0,0|0,0,1]=3 14289 B15R1.89 CCCC(=O)OCC(=O)C1CCCCO1 1458a_100000748299_100000034017 [0,1,0,1,0,0|1,0,1]=4 14290 B15R1.89 CCCC(=O)OCC(=O)C1CCCOC1 1458a_100000741522_100000034017 [0,1,0,1,0,0|1,0,1]=4 14291 B15R1.89 CCCC(=O)OCC(=O)C1CCOCC1 1458a_100000195482_100000034017 [0,1,0,1,0,0|1,0,1]=4 14292 B15R1.89 CCCC(=O)OCC(=O)C1CCSCC1 1458a_100000755232_100000034017 [0,1,0,1,0,0|1,0,1]=4 14293 B15R1.89 CCCC(=O)OCN(C)C1CCCCC1 2230a_100000207522_100000034017 [0,1,0,1,0,0|1,0,0]=3 14294 B15R1.89 CCCC(=O)OCN(C)C1CCCCC1 269982a_100000207522_100000034017 [0,1,0,1,0,0|1,0,0]=3 14295 B15R1.89 CCCC(=O)OCN(C)C1CCCCC1 34a_100000207522_100000034017 [0,1,0,1,0,0|1,0,0]=3 14296 B15R1.89 CCCC(=O)OCN(C)C1CCOCC1 2230a_100020587155_100000034017 [0,1,0,1,0,0|2,0,0]=4 14297 B15R1.89 CCCC(=O)OCN(C)C1CCOCC1 269982a_100020587155_100000034017 [0,1,0,1,0,0|2,0,0]=4 14298 B15R1.89 CCCC(=O)OCN(C)C1CCOCC1 34a_100020587155_100000034017 [0,1,0,1,0,0|2,0,0]=4 14299 B15R1.89 CCCC(=O)OCN(C)C1CCSCC1 2230a_100015184757_100000034017 [0,1,0,1,0,0|2,0,0]=4 14300 B15R1.89 CCCC(=O)OCN(C)C1CCSCC1 269982a_100015184757_100000034017 [0,1,0,1,0,0|2,0,0]=4 14301 B15R1.89 CCCC(=O)OCN(C)C1CCSCC1 34a_100015184757_100000034017 [0,1,0,1,0,0|2,0,0]=4 14302 B15R1.89 CCCC(C)OC[C@H](N)C1CCCCC1 34a_100009817630_100000766640 [0,1,0,1,0,0|1,0,1]=4 14303 B15R1.796 CCCC(=O)NCC(C)CN1CCCC1 1626a_100000741878_100000211992 [0,1,0,1,0,0|2,0,0]=4 14304 B15R1.796 CCCC(=O)NCC(C)CN1CCCC1 240690a_100000741878_100000211992 [0,1,0,1,0,0|2,0,0]=4 14305 B15R1.796 CCCC(=O)NCC(C)CN1CCCC1 527a_100000741878_100000211992 [0,1,0,1,0,0|2,0,0]=4 14306 B15R1.796 CCCC(=O)NCC(O)CN1CCCC1 240690a_100000741758_100000211992 [0,1,0,1,0,0|2,0,0]=4 14307 B15R1.796 CCCC(=O)OCC(=O)CC1CCCC1 1458a_100000210891_100000034017 [0,1,0,1,0,0|0,0,1]=3 14308 B15R1.796 CCCC(=O)OCC(=O)CC1CCOC1 1458a_100011218419_100000034017 [0,1,0,1,0,0|1,0,1]=4 14309 B15R1.796 CCCC(=O)OCC(=O)CN1CCCC1 1458a_100000740243_100000034017 [0,1,0,1,0,0|1,0,1]=4 14310 B15R1.796 CCCC(=O)OCN(C)CC1CCCO1 2230a_100102946541_100000034017 [0,1,0,1,0,0|2,0,0]=4 14311 B15R1.796 CCCC(=O)OCN(C)CC1CCCO1 269982a_100102946541_100000034017 [0,1,0,1,0,0|2,0,0]=4 14312 B15R1.796 CCCC(=O)OCN(C)CC1CCCO1 34a_100102946541_100000034017 [0,1,0,1,0,0|2,0,0]=4 14313 B15R1.796 CCCC(=O)OCN(C)CC1CCOC1 2230a_100000684583_100000034017 [0,1,0,1,0,0|2,0,0]=4 14314 B15R1.796 CCCC(=O)OCN(C)CC1CCOC1 269982a_100000684583_100000034017 [0,1,0,1,0,0|2,0,0]=4 14315 B15R1.796 CCCC(=O)OCN(C)CC1CCOC1 34a_100000684583_100000034017 [0,1,0,1,0,0|2,0,0]=4 14316 B15R1.2148 CCCCCCC(=O)COC(=O)C1CC1 1458a_100102632555_100000140896 [0,1,0,1,0,0|0,0,1]=3 14317 B15R1.2148 CCCCCCC(C)NCC(=O)C1CC1 2230a_100000210919_100000746382 [0,1,0,1,0,0|2,0,0]=4 14318 B15R1.2148 CCCCCCC(C)NCC(=O)C1CC1 34a_100000210919_100000746382 [0,1,0,1,0,0|2,0,0]=4 14319 B15R1.2148 CCCCCCC(C)OCC(=O)C1CC1 34a_100000210265_100000746382 [0,1,0,1,0,0|2,0,0]=4 14320 B15R1.2148 CCCCCCC(C)OCC(=O)C1CC1 34a_100000686663_100011215978 [0,1,0,1,0,0|2,0,0]=4 14321 B15R1.2148 CCCCCCC(C)OCC(=O)C1CC1 7a_100000210265_100000746382 [0,1,0,1,0,0|2,0,0]=4 14322 B15R1.2148 CCCCCCC(C)SCC(=O)C1CC1 62a_100000746382_100011215978 [0,1,0,1,0,0|2,0,0]=4 14323 B15R1.2148 CCCCCCC(C)SCC(=O)C1CC1 62a_100011215978_100000746382 [0,1,0,1,0,0|2,0,0]=4 14324 B15R1.2148 CCCCCCN(C)COC(=O)C1CC1 2230a_106256046315_100000140896 [0,1,0,1,0,0|1,0,0]=3 14325 B15R1.2148 CCCCCCN(C)COC(=O)C1CC1 269982a_106256046315_100000140896 [0,1,0,1,0,0|1,0,0]=3 14326 B15R1.2148 CCCCOCC(=O)COC(=O)C1CC1 1458a_100000757543_100000140896 [0,1,0,1,0,0|1,0,1]=4 14327 B15R1.2148 CCCCSCC(=O)COC(=O)C1CC1 1458a_100000191162_100000140896 [0,1,0,1,0,0|1,0,1]=4 14328 B15R1.2148 CN(CCCCCO)COC(=O)C1CC1 2230a_100000722520_100000140896 [0,1,0,1,0,0|2,0,0]=4 14329 B15R1.2148 CN(CCCCCO)COC(=O)C1CC1 269982a_100000722520_100000140896 [0,1,0,1,0,0|2,0,0]=4 14330 B15R1.2148 O=C(CCCCCO)COC(=O)C1CC1 1458a_100102619762_100000140896 [0,1,0,1,0,0|1,0,1]=4 14331 B15R1.3974 CCCCCCC(=O)CN1CCCC1=O 1458a_100000189602_100000210757 [0,1,0,1,0,0|1,0,1]=4 14332 B15R1.3974 CCCCCCC(C)NC1CCCC1=O 2230a_100000210919_100000211823 [0,1,0,1,0,0|2,0,0]=4 14333 B15R1.3974 CCCCCCC(C)NC1CCCC1=O 34a_100000210919_100000709159 [0,1,0,1,0,0|2,0,0]=4 14334 B15R1.3974 CCCCCCC(C)OC1CCCC1=O 34a_100000210265_100000709159 [0,1,0,1,0,0|2,0,0]=4 14335 B15R1.3974 CCCCCCC(C)OC1CCCC1=O 34a_200000719330_100011215978 [0,1,0,1,0,0|2,0,0]=4 14336 B15R1.3974 CCCCCCC(C)OC1CCCC1=O 7a_100000210265_100000211823 [0,1,0,1,0,0|2,0,0]=4 14337 B15R1.3974 CCCCCCC(C)SC1CCCC1=O 62a_100000211823_100011215978 [0,1,0,1,0,0|2,0,0]=4 14338 B15R1.3974 CCCCCCC(C)SC1CCCC1=O 62a_100011215978_100000211823 [0,1,0,1,0,0|2,0,0]=4 14339 B15R1.3974 CCCCCCN(C)CN1CCCC1=O 269982a_106256046315_100000026320 [0,1,0,1,0,0|2,0,0]=4 14340 B15R1.4574 CCCC(=O)OCC(=O)C1CCCC1C 1458a_100000690547_100000034017 [0,1,0,1,0,0|0,0,1]=3 14341 B15R1.4574 CCCC(=O)OCC(=O)[C@@H]1CCCN1C 1458a_100009816429_100000034017 [0,1,0,1,0,0|1,0,1]=4 14342 B15R1.10366 CCCC(=O)CCN1CCCCCCC1 1458a_200015187237_100000210303 [0,1,0,1,0,0|1,0,0]=3 14343 B15R1.10366 CCCC(=O)CNC1CCCCCCC1 2230a_100000211152_100000747444 [0,1,0,1,0,0|1,0,0]=3 14344 B15R1.10366 CCCC(=O)COC1CCCCCCC1 7a_100000210054_100000747444 [0,1,0,1,0,0|0,0,0]=2 14345 B15R1.10366 CCCC(=O)NCC1CC/C=C\CCC1 11a_100102730862_100000211992 [0,1,0,1,0,0|1,0,1]=4 14346 B15R1.10366 CCCC(=O)NCC1CC/C=C\CCC1 1626a_100102730862_100000211992 [0,1,0,1,0,0|1,0,1]=4 14347 B15R1.10366 CCCC(=O)NCC1CC/C=C\CCC1 240690a_100102730862_100000211992 [0,1,0,1,0,0|1,0,1]=4 14348 B15R1.10366 CCCC(=O)NCC1CC/C=C\CCC1 527a_100102730862_100000211992 [0,1,0,1,0,0|1,0,1]=4 14349 B15R1.10366 CCCC(=O)NN=C1CCCCCCC1 4a_100000189770_100000210524 [0,1,0,1,0,0|1,0,1]=4 14350 B15R1.10366 CCCC(=O)OCN1CCCCCCC1 2230a_100000211400_100000034017 [0,1,0,1,0,0|0,0,0]=2 14351 B15R1.10366 CCCC(=O)OCN1CCCCCCC1 269982a_100000211400_100000034017 [0,1,0,1,0,0|0,0,0]=2 14352 B15R1.10366 CCCC(=O)OCN1CCCCCCC1 34a_100000211400_100000034017 [0,1,0,1,0,0|0,0,0]=2 14353 B15R1.10366 CCCC(C)COC1CCCCCCC1 34a_100000210054_100011216630 [0,1,0,1,0,0|1,0,1]=4 14354 B15R1.10366 CCCC(C)COC1CCCCCCC1 7a_100000210054_100011216630 [0,1,0,1,0,0|1,0,1]=4 14355 B15R1.10366 CCCC(C)OCC1CCCCCCC1 34a_100011216312_100000766640 [0,1,0,1,0,0|1,0,1]=4 14356 B15R1.10366 CCCC(C)OCC1CCCCCCC1 7a_100011216312_100000766640 [0,1,0,1,0,0|1,0,1]=4 14357 B15R1.10366 CCNC(=O)CCN1CCCCCCC1 2230a_100000211400_100000737597 [0,1,0,1,0,0|2,0,0]=4 14358 B15R1.10366 CCNC(=O)CCN1CCCCCCC1 240690a_100015525214_200015187237 [0,1,0,1,0,0|2,0,0]=4 14359 B15R1.10366 CCNC(=O)CCN1CCCCCCC1 269982a_100000211400_100000737597 [0,1,0,1,0,0|2,0,0]=4 14360 B15R1.10366 CCNC(=O)CNC1CCCCCCC1 2230a_100000211152_100000183381 [0,1,0,1,0,0|2,0,0]=4 14361 B15R1.10366 CCNC(=O)CNC1CCCCCCC1 270004a_100016988866_100000210524 [0,1,0,1,0,0|2,0,0]=4 14362 B15R1.10366 CCNC(=O)CNC1CCCCCCC1 34a_100000211152_100000183381 [0,1,0,1,0,0|2,0,0]=4 14363 B15R1.10366 CCNC(=O)COC1CCCCCCC1 34a_100000210054_100000183381 [0,1,0,1,0,0|1,0,0]=3 14364 B15R1.10366 CCNC(=O)COC1CCCCCCC1 7a_100000210054_100000183381 [0,1,0,1,0,0|1,0,0]=3 14365 B15R1.10366 CCOC(=O)CCN1CCCCCCC1 2230a_100000211400_100011206558 [0,1,0,1,0,0|2,0,0]=4 14366 B15R1.10366 CCOC(=O)CCN1CCCCCCC1 269982a_100000211400_100011206558 [0,1,0,1,0,0|2,0,0]=4 14367 B15R1.10366 CCOC(=O)CCN1CCCCCCC1 34a_100000211400_100000765890 [0,1,0,1,0,0|2,0,0]=4 14368 B15R1.10366 CCOC(=O)CNC1CCCCCCC1 2230a_100000211152_100000188475 [0,1,0,1,0,0|2,0,0]=4 14369 B15R1.10366 CCOC(=O)CNC1CCCCCCC1 34a_100000211152_100000188475 [0,1,0,1,0,0|2,0,0]=4 14370 B15R1.10366 CCOC(=O)COC1CCCCCCC1 34a_100000210054_100000188475 [0,1,0,1,0,0|1,0,0]=3 14371 B15R1.10366 CCOC(=O)COC1CCCCCCC1 7a_100000210054_100000188475 [0,1,0,1,0,0|1,0,0]=3 14372 B15R1.10366 O=C(CCF)CCN1CCCCCCC1 1458a_200015187237_100011217306 [0,1,0,1,0,0|2,0,0]=4 14373 B15R1.10366 O=C(CCO)CCN1CCCCCCC1 1458a_200015187237_100000211926 [0,1,0,1,0,0|2,0,0]=4 14374 B15R1.10366 O=C(COC1CCCCCCC1)NCO 34a_100000210054_100000185155 [0,1,0,1,0,0|2,0,0]=4 14375 B15R1.10366 O=C(COC1CCCCCCC1)NCO 7a_100000210054_100000185155 [0,1,0,1,0,0|2,0,0]=4 14376 B15R1.10469 CCCC(=O)OCC(=O)CSCC1CC1 1458a_200011316215_100000034017 [0,1,0,1,0,0|1,0,1]=4 14377 B15R1.36719 CCCC(=O)CNC1(CCCCCC1)C 2230a_100000704638_100000747444 [0,1,0,1,0,0|2,0,0]=4 14378 B15R1.36719 CCCC(=O)COC1(CCCCCC1)C 7a_100000708895_100000747444 [0,1,0,1,0,0|2,0,0]=4 14379 B15R1.94 CCC1CCCN1COC(=O)OC(C)C 269982a_100000754278_100010125566 [0,1,0,1,0,0|2,0,0]=4 14380 B15R1.94 CCN1CCCC1CNC(=O)CC(C)C 11a_100000211693_100000210554 [0,1,0,1,0,0|2,0,0]=4 14381 B15R1.94 CCN1CCCC1CNC(=O)CC(C)C 1626a_100000211693_100000210554 [0,1,0,1,0,0|2,0,0]=4 14382 B15R1.94 CCN1CCCC1CNC(=O)CC(C)C 240690a_100000211693_100000210554 [0,1,0,1,0,0|2,0,0]=4 14383 B15R1.94 CCN1CCCC1CNC(=O)CC(C)C 527a_100000211693_100000210554 [0,1,0,1,0,0|2,0,0]=4 14384 B15R1.94 CCN1CCCC1CNC(=O)C[C@@H](C)O 240690a_100000211693_100011933948 [0,1,0,1,0,0|2,0,0]=4 14385 B15R1.130 CC(C)CC(=O)CCC1CCCCN1C 1458a_100000210554_100000211948 [0,1,0,1,0,0|2,0,0]=4 14386 B15R1.130 CC(C)CC(=O)CCC1CCCCN1C 1458a_100000718493_100000210624 [0,1,0,1,0,0|2,0,0]=4 14387 B15R1.130 CC(C)CC(=O)COC1CCCCC1C 1458a_100011223357_100000210624 [0,1,0,1,0,0|2,0,0]=4 14388 B15R1.130 CC(C)CC(=O)NCC1CCCCC1O 240690a_100011216029_100000210554 [0,1,0,1,0,0|2,0,0]=4 14389 B15R1.130 CC(C)CC(=O)NCC1CCCCC1O 527a_100011216029_100000210554 [0,1,0,1,0,0|2,0,0]=4 14390 B15R1.130 CC(C)CC(=O)NCC1CCCCN1C 240690a_100011228421_100000210554 [0,1,0,1,0,0|2,0,0]=4 14391 B15R1.130 CC(C)CC(=O)NCC1CCCCN1C 527a_100011228421_100000210554 [0,1,0,1,0,0|2,0,0]=4 14392 B15R1.130 CC(C)OC(=O)OCN1CCCCC1C 269982a_100000211376_100010125566 [0,1,0,1,0,0|2,0,0]=4 14393 B15R1.130 CC(O)CC(=O)CCC1CCCCN1C 1458a_100000718493_100011218427 [0,1,0,1,0,0|2,0,0]=4 14394 B15R1.130 CC(O)CC(=O)COC1CCCCC1C 1458a_100011223357_100011218427 [0,1,0,1,0,0|2,0,0]=4 14395 B15R1.130 C[C@@H](O)CC(=O)CCC1CCCCN1C 1458a_100011933948_100000211948 [0,1,0,1,0,0|2,0,0]=4 14396 B15R1.130 C[C@@H](O)CC(=O)NCC1CCCCC1O 240690a_100011216029_100011933948 [0,1,0,1,0,0|2,0,0]=4 14397 B15R1.130 C[C@@H](O)CC(=O)NCC1CCCCN1C 240690a_100011228421_100011933948 [0,1,0,1,0,0|2,0,0]=4 14398 B15R1.254 CC(=O)CC(=O)OCCN1CCC[C@@H]1C 269982a_100020605311_100000102702 [0,1,0,1,0,0|1,0,1]=4 14399 B15R1.254 CC(=O)CC(=O)OCCN1CCC[C@H]1C 269982a_100015189458_100000102702 [0,1,0,1,0,0|1,0,1]=4 14400 B15R1.254 CC(=O)CC(=O)OCCN1CCC[C@H]1C 34a_100015189458_100000102702 [0,1,0,1,0,0|1,0,1]=4 14401 B15R1.254 CC(C)CC(=O)NCCC1CCCN1C 240690a_100011219722_100000210554 [0,1,0,1,0,0|2,0,0]=4 14402 B15R1.254 CC(C)CC(=O)NCCC1CCCN1C 527a_100011219722_100000210554 [0,1,0,1,0,0|2,0,0]=4 14403 B15R1.254 C[C@@H](O)CC(=O)NCCC1CCCN1C 240690a_100011219722_100011933948 [0,1,0,1,0,0|2,0,0]=4 14404 B15R1.271 CC(C)CC(=O)N1CCCCC1CCO 240690a_100000211664_100000210554 [0,1,0,1,0,0|2,0,0]=4 14405 B15R1.271 CCCC1CCCCN1C(=O)CC(C)C 11a_100000701414_100000210554 [0,1,0,1,0,0|1,0,0]=3 14406 B15R1.271 CCCC1CCCCN1C(=O)CC(C)C 1626a_100000701414_100000210554 [0,1,0,1,0,0|1,0,0]=3 14407 B15R1.271 CCCC1CCCCN1C(=O)CC(C)C 240690a_100000701414_100000210554 [0,1,0,1,0,0|1,0,0]=3 14408 B15R1.271 CCCC1CCCCN1C(=O)CC(C)C 527a_100000701414_100000210554 [0,1,0,1,0,0|1,0,0]=3 14409 B15R1.271 CCCC1CCCCN1C(=O)CN(C)C 11a_100000701414_100000750896 [0,1,0,1,0,0|2,0,0]=4 14410 B15R1.271 CCCC1CCCCN1C(=O)CN(C)C 240690a_100000701414_100000750896 [0,1,0,1,0,0|2,0,0]=4 14411 B15R1.271 CCCC1CCCCN1C(=O)CN(C)C 527a_100000701414_100000750896 [0,1,0,1,0,0|2,0,0]=4 14412 B15R1.271 CCCC1CCCCN1C(=O)C[C@@H](C)O 240690a_100000701414_100011933948 [0,1,0,1,0,0|1,0,0]=3 14413 B15R1.271 CCCC1CCCCN1C(=O)C[S+](C)C 11a_100000701414_200159257847 [0,1,0,1,0,0|2,0,0]=4 14414 B15R1.271 CCCC1CCCCN1C(=O)C[S+](C)C 1626a_100000701414_200159257847 [0,1,0,1,0,0|2,0,0]=4 14415 B15R1.271 CCCC1CCCCN1C(=O)C[S+](C)C 240690a_100000701414_200159257847 [0,1,0,1,0,0|2,0,0]=4 14416 B15R1.271 CCCC1CCCCN1C(=O)C[S+](C)C 527a_100000701414_200159257847 [0,1,0,1,0,0|2,0,0]=4 14417 B15R1.271 CCCC1CCCCN1C(=O)NC(C)C 2708a_100138425928_100000701414 [0,1,0,1,0,0|2,0,0]=4 14418 B15R1.271 CCCC1CCCCN1C(=O)NC(C)C 273464a_100138425928_100000701414 [0,1,0,1,0,0|2,0,0]=4 14419 B15R1.271 CCCC1COCCN1C(=O)CC(C)C 11a_102495339903_100000210554 [0,1,0,1,0,0|2,0,0]=4 14420 B15R1.271 CCCC1COCCN1C(=O)CC(C)C 1626a_102495339903_100000210554 [0,1,0,1,0,0|2,0,0]=4 14421 B15R1.271 CCCC1COCCN1C(=O)CC(C)C 240690a_102495339903_100000210554 [0,1,0,1,0,0|2,0,0]=4 14422 B15R1.271 CCCC1COCCN1C(=O)CC(C)C 527a_102495339903_100000210554 [0,1,0,1,0,0|2,0,0]=4 14423 B15R1.271 CCCC1COCCN1C(=O)C[C@@H](C)O 240690a_102495339903_100011933948 [0,1,0,1,0,0|2,0,0]=4 14424 B15R1.271 CCCN1CCCCC1C(=O)CC(C)C 1458a_100000743559_100000210624 [0,1,0,1,0,0|2,0,0]=4 14425 B15R1.271 CCCN1CCCCC1C(=O)CC(C)O 1458a_100000743559_100011218427 [0,1,0,1,0,0|2,0,0]=4 14426 B15R1.271 COCC1CCCCN1C(=O)CC(C)C 11a_100015184032_100000210554 [0,1,0,1,0,0|2,0,0]=4 14427 B15R1.271 COCC1CCCCN1C(=O)CC(C)C 1626a_100015184032_100000210554 [0,1,0,1,0,0|2,0,0]=4 14428 B15R1.271 COCC1CCCCN1C(=O)CC(C)C 240690a_100015184032_100000210554 [0,1,0,1,0,0|2,0,0]=4 14429 B15R1.271 COCC1CCCCN1C(=O)CC(C)C 527a_100015184032_100000210554 [0,1,0,1,0,0|2,0,0]=4 14430 B15R1.271 COCC1CCCCN1C(=O)C[C@@H](C)O 240690a_100015184032_100011933948 [0,1,0,1,0,0|2,0,0]=4 14431 B15R1.271 C[C@@H](O)CC(=O)N1CCCCC1CCO 240690a_100000211664_100011933948 [0,1,0,1,0,0|2,0,0]=4 14432 B15R1.360 CC(=O)CC(=O)OCCOCC1CC1C 34a_100000744939_100000102702 [0,1,0,1,0,0|1,0,1]=4 14433 B15R1.1145 CCC1CCCCC1OC(C)CC(C)C 34a_100000210738_100000731052 [0,1,0,1,0,0|1,0,1]=4 14434 B15R1.1145 CCC1CCCCC1OC(C)CC(C)C 7a_100000210738_100000731052 [0,1,0,1,0,0|1,0,1]=4 14435 B15R1.1145 COC1CCCCC1NC(=O)CC(C)C 11a_100011208099_100000210554 [0,1,0,1,0,0|2,0,0]=4 14436 B15R1.1145 COC1CCCCC1NC(=O)CC(C)C 1626a_100011208099_100000210554 [0,1,0,1,0,0|2,0,0]=4 14437 B15R1.1145 COC1CCCCC1NC(=O)CC(C)C 240690a_100011208099_100000210554 [0,1,0,1,0,0|2,0,0]=4 14438 B15R1.1145 COC1CCCCC1NC(=O)CC(C)C 527a_100011208099_100000210554 [0,1,0,1,0,0|2,0,0]=4 14439 B15R1.1145 COC1CCCCC1NC(=O)C[C@@H](C)O 240690a_100011208099_100011933948 [0,1,0,1,0,0|2,0,0]=4 14440 B15R1.4455 CCCCCN1CCNC(=O)C1C(C)C 2230a_100000751287_100000210326 [0,1,0,1,0,0|2,0,0]=4 14441 B15R1.4455 CCCCCN1CCNC(=O)C1C(C)C 269982a_100000751287_100000210215 [0,1,0,1,0,0|2,0,0]=4 14442 B15R1.4455 CCCCCN1CCNC(=O)C1C(C)C 34a_100000751287_100000718602 [0,1,0,1,0,0|2,0,0]=4 14443 B15R1.5503 CC(=O)CC(=O)OCCNC1CCCC1 34a_100000211070_100000102702 [0,1,0,1,0,0|1,0,1]=4 14444 B15R1.5503 CC(=O)CC(=O)OCCOC1CCCC1 34a_100000210269_100000102702 [0,1,0,1,0,0|1,0,1]=4 14445 B15R1.5503 CC(=O)CC(=O)OCCSC1CCCC1 62a_100000102702_100000179811 [0,1,0,1,0,0|1,0,1]=4 14446 B15R1.5503 CC(=O)CC(=O)OCCSC1CCCC1 62a_100011217020_100000102702 [0,1,0,1,0,0|1,0,1]=4 14447 B15R1.5503 CC(C)CC(=O)NCCCC1CCCC1 11a_100000736752_100000210554 [0,1,0,1,0,0|1,0,0]=3 14448 B15R1.5503 CC(C)CC(=O)NCCCC1CCCC1 1626a_100000736752_100000210554 [0,1,0,1,0,0|1,0,0]=3 14449 B15R1.5503 CC(C)CC(=O)NCCCC1CCCC1 240690a_100000736752_100000210554 [0,1,0,1,0,0|1,0,0]=3 14450 B15R1.5503 CC(C)CC(=O)NCCCC1CCCC1 527a_100000736752_100000210554 [0,1,0,1,0,0|1,0,0]=3 14451 B15R1.5503 CC(C)CC(=O)NCCCN1CCCC1 240690a_100000204695_100000210554 [0,1,0,1,0,0|2,0,0]=4 14452 B15R1.5503 CC(C)CC(=O)NCCOC1CCCC1 11a_100000741755_100000210554 [0,1,0,1,0,0|2,0,0]=4 14453 B15R1.5503 CC(C)CC(=O)NCCOC1CCCC1 1626a_100000741755_100000210554 [0,1,0,1,0,0|2,0,0]=4 14454 B15R1.5503 CC(C)CC(=O)NCCOC1CCCC1 240690a_100000741755_100000210554 [0,1,0,1,0,0|2,0,0]=4 14455 B15R1.5503 CC(C)CC(=O)NCCOC1CCCC1 527a_100000741755_100000210554 [0,1,0,1,0,0|2,0,0]=4 14456 B15R1.5503 CC(C)CC(C)OCCCC1CCCC1 34a_100000211805_100011713738 [0,1,0,1,0,0|1,0,1]=4 14457 B15R1.5503 CC(C)CC(C)OCCCC1CCCC1 34a_100011215328_100000731052 [0,1,0,1,0,0|1,0,1]=4 14458 B15R1.5503 CC(C)CC(C)OCCCC1CCCC1 7a_100000211805_100011713738 [0,1,0,1,0,0|1,0,1]=4 14459 B15R1.5503 CC(C)CC(C)OCCCC1CCCC1 7a_100011215328_100000731052 [0,1,0,1,0,0|1,0,1]=4 14460 B15R1.5503 CC(C)NC(=O)NCCCC1CCCC1 2708a_100000736752_100138425928 [0,1,0,1,0,0|2,0,0]=4 14461 B15R1.5503 CC(C)NC(=O)NCCCC1CCCC1 2708a_100138425928_100000736752 [0,1,0,1,0,0|2,0,0]=4 14462 B15R1.5503 CC(C)NC(=O)NCCCC1CCCC1 273464a_100138425928_100000736752 [0,1,0,1,0,0|2,0,0]=4 14463 B15R1.5503 CC(C)NC(=O)NCCCC1CCCC1 512a_100000736752_100138425928 [0,1,0,1,0,0|2,0,0]=4 14464 B15R1.5503 CC(C)NC(=O)NCCCC1CCCC1 512a_100138425928_100000736752 [0,1,0,1,0,0|2,0,0]=4 14465 B15R1.5503 CC(C)OC(=O)OCSCC1CCCC1 62a_100000003507_100000740388 [0,1,0,1,0,0|2,0,0]=4 14466 B15R1.5503 CC(C)OC(=O)OCSCC1CCCC1 62a_100000740388_100000003507 [0,1,0,1,0,0|2,0,0]=4 14467 B15R1.5503 CN(C)CC(=O)NCCCC1CCCC1 11a_100000736752_100000750896 [0,1,0,1,0,0|2,0,0]=4 14468 B15R1.5503 CN(C)CC(=O)NCCCC1CCCC1 240690a_100000736752_100000750896 [0,1,0,1,0,0|2,0,0]=4 14469 B15R1.5503 CN(C)CC(=O)NCCCC1CCCC1 527a_100000736752_100000750896 [0,1,0,1,0,0|2,0,0]=4 14470 B15R1.5503 C[C@@H](O)CC(=O)NCCCC1CCCC1 240690a_100000736752_100011933948 [0,1,0,1,0,0|1,0,0]=3 14471 B15R1.5503 C[C@@H](O)CC(=O)NCCCN1CCCC1 240690a_100000204695_100011933948 [0,1,0,1,0,0|2,0,0]=4 14472 B15R1.5503 C[C@@H](O)CC(=O)NCCOC1CCCC1 240690a_100000741755_100011933948 [0,1,0,1,0,0|2,0,0]=4 14473 B15R1.5503 C[S+](C)CC(=O)NCCCC1CCCC1 11a_100000736752_200159257847 [0,1,0,1,0,0|2,0,0]=4 14474 B15R1.5503 C[S+](C)CC(=O)NCCCC1CCCC1 1626a_100000736752_200159257847 [0,1,0,1,0,0|2,0,0]=4 14475 B15R1.5503 C[S+](C)CC(=O)NCCCC1CCCC1 240690a_100000736752_200159257847 [0,1,0,1,0,0|2,0,0]=4 14476 B15R1.5503 C[S+](C)CC(=O)NCCCC1CCCC1 527a_100000736752_200159257847 [0,1,0,1,0,0|2,0,0]=4 14477 B15R1.5505 CC(=O)CC(=O)OCCNCC1CCC1 34a_100000738700_100000102702 [0,1,0,1,0,0|1,0,1]=4 14478 B15R1.5505 CC(=O)CC(=O)OCCOCC1CCC1 34a_100000760304_100000102702 [0,1,0,1,0,0|1,0,1]=4 14479 B15R1.5505 CC(=O)CC(=O)OCCSCC1CCC1 62a_100000102702_100000763275 [0,1,0,1,0,0|1,0,1]=4 14480 B15R1.5505 CC(=O)CC(=O)OCCSCC1CCC1 62a_100000763275_100000102702 [0,1,0,1,0,0|1,0,1]=4 14481 B15R1.9028 CC(=O)CC(=O)OCCNCCC1CC1 34a_100000764129_100000102702 [0,1,0,1,0,0|1,0,1]=4 14482 B15R1.9028 CC(=O)CC(=O)OCCOCCC1CC1 34a_100000754188_100000102702 [0,1,0,1,0,0|1,0,1]=4 14483 B15R1.9028 CC(=O)CC(=O)OCCSCCC1CC1 62a_100000102702_100000764125 [0,1,0,1,0,0|1,0,1]=4 14484 B15R1.9028 CC(=O)CC(=O)OCCSCCC1CC1 62a_100000764125_100000102702 [0,1,0,1,0,0|1,0,1]=4 14485 B15R1.9084 C=C(C)CC(=O)CCCC1CCCCC1 1458a_100000211478_100000748629 [0,1,0,1,0,0|1,0,1]=4 14486 B15R1.9084 CC(C)CC(=O)CCCC1CCCCC1 1458a_100000210554_100011713725 [0,1,0,1,0,0|1,0,0]=3 14487 B15R1.9084 CC(C)CC(=O)CCCC1CCCCC1 1458a_100000211478_100000210624 [0,1,0,1,0,0|1,0,0]=3 14488 B15R1.9084 CC(C)CC(=O)CCCN1CCCCC1 1458a_100000210554_100000690320 [0,1,0,1,0,0|2,0,0]=4 14489 B15R1.9084 CC(C)CC(=O)CCCN1CCCCC1 1458a_100000742516_100000210624 [0,1,0,1,0,0|2,0,0]=4 14490 B15R1.9084 CC(C)CC(=O)CCOC1CCCCC1 1458a_100000210554_100011211530 [0,1,0,1,0,0|2,0,0]=4 14491 B15R1.9084 CC(C)CC(=O)NCCC1CCCCC1 11a_100000738074_100000210554 [0,1,0,1,0,0|1,0,0]=3 14492 B15R1.9084 CC(C)CC(=O)NCCC1CCCCC1 1626a_100000738074_100000210554 [0,1,0,1,0,0|1,0,0]=3 14493 B15R1.9084 CC(C)CC(=O)NCCC1CCCCC1 240690a_100000738074_100000210554 [0,1,0,1,0,0|1,0,0]=3 14494 B15R1.9084 CC(C)CC(=O)NCCC1CCCCC1 527a_100000738074_100000210554 [0,1,0,1,0,0|1,0,0]=3 14495 B15R1.9084 CC(C)CC(=O)NCCC1CCCCO1 11a_100015183643_100000210554 [0,1,0,1,0,0|2,0,0]=4 14496 B15R1.9084 CC(C)CC(=O)NCCC1CCCCO1 1626a_100015183643_100000210554 [0,1,0,1,0,0|2,0,0]=4 14497 B15R1.9084 CC(C)CC(=O)NCCC1CCCCO1 240690a_100015183643_100000210554 [0,1,0,1,0,0|2,0,0]=4 14498 B15R1.9084 CC(C)CC(=O)NCCC1CCCCO1 527a_100015183643_100000210554 [0,1,0,1,0,0|2,0,0]=4 14499 B15R1.9084 CC(C)CC(=O)NCCC1CCOCC1 11a_100000755988_100000210554 [0,1,0,1,0,0|2,0,0]=4 14500 B15R1.9084 CC(C)CC(=O)NCCC1CCOCC1 1626a_100000755988_100000210554 [0,1,0,1,0,0|2,0,0]=4 14501 B15R1.9084 CC(C)CC(=O)NCCC1CCOCC1 240690a_100000755988_100000210554 [0,1,0,1,0,0|2,0,0]=4 14502 B15R1.9084 CC(C)CC(=O)NCCC1CCOCC1 527a_100000755988_100000210554 [0,1,0,1,0,0|2,0,0]=4 14503 B15R1.9084 CC(C)CC(=O)NCCN1CCCCC1 240690a_100000216509_100000210554 [0,1,0,1,0,0|2,0,0]=4 14504 B15R1.9084 CC(C)CC(=O)NCCN1CCCCC1 527a_100000216509_100000210554 [0,1,0,1,0,0|2,0,0]=4 14505 B15R1.9084 CC(C)CC(=O)NNCC1CCCCC1 22a_100000740227_100000210554 [0,1,0,1,0,0|2,0,0]=4 14506 B15R1.9084 CC(C)CC(C)OCCC1CCCCC1 34a_100000211805_100011209188 [0,1,0,1,0,0|1,0,1]=4 14507 B15R1.9084 CC(C)CC(C)OCCC1CCCCC1 34a_100011217863_100000731052 [0,1,0,1,0,0|1,0,1]=4 14508 B15R1.9084 CC(C)CC(C)OCCC1CCCCC1 7a_100000211805_100011273959 [0,1,0,1,0,0|1,0,1]=4 14509 B15R1.9084 CC(C)CC(C)OCCC1CCCCC1 7a_100011217863_100000731052 [0,1,0,1,0,0|1,0,1]=4 14510 B15R1.9084 CC(C)NC(=O)CCCC1CCCCC1 11a_100138425928_100000211478 [0,1,0,1,0,0|2,0,0]=4 14511 B15R1.9084 CC(C)NC(=O)CCCC1CCCCC1 1626a_100138425928_100000211478 [0,1,0,1,0,0|2,0,0]=4 14512 B15R1.9084 CC(C)NC(=O)CCCC1CCCCC1 240690a_100138425928_100000211478 [0,1,0,1,0,0|2,0,0]=4 14513 B15R1.9084 CC(C)NC(=O)CCCC1CCCCC1 527a_100138425928_100000211478 [0,1,0,1,0,0|2,0,0]=4 14514 B15R1.9084 CC(C)NC(=O)NCCC1CCCCC1 2708a_100000738074_100138425928 [0,1,0,1,0,0|2,0,0]=4 14515 B15R1.9084 CC(C)NC(=O)NCCC1CCCCC1 2708a_100138425928_100000738074 [0,1,0,1,0,0|2,0,0]=4 14516 B15R1.9084 CC(C)NC(=O)NCCC1CCCCC1 273464a_100138425928_100000738074 [0,1,0,1,0,0|2,0,0]=4 14517 B15R1.9084 CC(C)NC(=O)NCCC1CCCCC1 512a_100000738074_100138425928 [0,1,0,1,0,0|2,0,0]=4 14518 B15R1.9084 CC(C)NC(=O)NCCC1CCCCC1 512a_100138425928_100000738074 [0,1,0,1,0,0|2,0,0]=4 14519 B15R1.9084 CC(C)OC(=O)OCSC1CCCCC1 62a_100000003507_100000210327 [0,1,0,1,0,0|2,0,0]=4 14520 B15R1.9084 CC(C)OC(=O)OCSC1CCCCC1 62a_100000210327_100000003507 [0,1,0,1,0,0|2,0,0]=4 14521 B15R1.9084 CC(O)CC(=O)CCCC1CCCCC1 1458a_100000211478_100011218427 [0,1,0,1,0,0|1,0,0]=3 14522 B15R1.9084 CC(O)CC(=O)CCCN1CCCCC1 1458a_100000742516_100011218427 [0,1,0,1,0,0|2,0,0]=4 14523 B15R1.9084 CN(C)CC(=O)CCCC1CCCCC1 1458a_100000750896_100011713725 [0,1,0,1,0,0|2,0,0]=4 14524 B15R1.9084 CN(C)CC(=O)NCCC1CCCCC1 11a_100000738074_100000750896 [0,1,0,1,0,0|2,0,0]=4 14525 B15R1.9084 CN(C)CC(=O)NCCC1CCCCC1 240690a_100000738074_100000750896 [0,1,0,1,0,0|2,0,0]=4 14526 B15R1.9084 CN(C)CC(=O)NCCC1CCCCC1 527a_100000738074_100000750896 [0,1,0,1,0,0|2,0,0]=4 14527 B15R1.9084 C[C@@H](O)CC(=O)CCCC1CCCCC1 1458a_100011933948_100011713725 [0,1,0,1,0,0|1,0,0]=3 14528 B15R1.9084 C[C@@H](O)CC(=O)CCCN1CCCCC1 1458a_100011933948_100000690320 [0,1,0,1,0,0|2,0,0]=4 14529 B15R1.9084 C[C@@H](O)CC(=O)CCOC1CCCCC1 1458a_100011933948_100011211530 [0,1,0,1,0,0|2,0,0]=4 14530 B15R1.9084 C[C@@H](O)CC(=O)NCCC1CCCCC1 240690a_100000738074_100011933948 [0,1,0,1,0,0|1,0,0]=3 14531 B15R1.9084 C[C@@H](O)CC(=O)NCCC1CCCCO1 240690a_100015183643_100011933948 [0,1,0,1,0,0|2,0,0]=4 14532 B15R1.9084 C[C@@H](O)CC(=O)NCCC1CCOCC1 240690a_100000755988_100011933948 [0,1,0,1,0,0|2,0,0]=4 14533 B15R1.9084 C[C@@H](O)CC(=O)NCCN1CCCCC1 240690a_100000216509_100011933948 [0,1,0,1,0,0|2,0,0]=4 14534 B15R1.9084 C[C@@H](O)CC(=O)NNCC1CCCCC1 22a_100000740227_100011933948 [0,1,0,1,0,0|2,0,0]=4 14535 B15R1.9084 C[S+](C)CC(=O)CCCC1CCCCC1 1458a_200159257847_100011713725 [0,1,0,1,0,0|2,0,0]=4 14536 B15R1.9084 C[S+](C)CC(=O)NCCC1CCCCC1 11a_100000738074_200159257847 [0,1,0,1,0,0|2,0,0]=4 14537 B15R1.9084 C[S+](C)CC(=O)NCCC1CCCCC1 1626a_100000738074_200159257847 [0,1,0,1,0,0|2,0,0]=4 14538 B15R1.9084 C[S+](C)CC(=O)NCCC1CCCCC1 240690a_100000738074_200159257847 [0,1,0,1,0,0|2,0,0]=4 14539 B15R1.9084 C[S+](C)CC(=O)NCCC1CCCCC1 527a_100000738074_200159257847 [0,1,0,1,0,0|2,0,0]=4 14540 B15R1.9084 O=C(CCCC1CCCCC1)CC(F)F 1458a_100000211478_100011934356 [0,1,0,1,0,0|2,0,0]=4 14541 B15R1.9716 CCCCCCCC=CC(=O)CC1CC1 1458a_200015332781_100000742324 [0,1,0,1,0,0|1,0,1]=4 14542 B15R1.9716 CCCCCCCC=CC(=O)CC1CO1 1458a_200015332781_100011216344 [0,1,0,1,0,0|1,0,1]=4 14543 B15R1.9716 CCCCCCCC=CC(=O)CC1CS1 1458a_200015332781_100000031435 [0,1,0,1,0,0|1,0,1]=4 14544 B15R1.9716 CCCCCCCC=CC(=O)C[C@@H]1CO1 1458a_200015332781_100000745022 [0,1,0,1,0,0|1,0,1]=4 14545 B15R1.9716 CCCCCCCC=CC(=O)NC1CC1 1626a_100000212008_200015332781 [0,1,0,1,0,0|1,0,1]=4 14546 B15R1.9716 CCCCCCCC=CC(=O)NC1CC1 240690a_100000212008_200015332781 [0,1,0,1,0,0|1,0,1]=4 14547 B15R1.9716 CCCCCCCCCC(=O)CC1CC1 1458a_100000210558_100000742324 [0,1,0,1,0,0|1,0,0]=3 14548 B15R1.9716 CCCCCCCCCC(=O)CC1CC1 1458a_100000738066_100000210670 [0,1,0,1,0,0|1,0,0]=3 14549 B15R1.9716 CCCCCCCCCC(=O)CC1CO1 1458a_100000210558_100011216344 [0,1,0,1,0,0|1,0,0]=3 14550 B15R1.9716 CCCCCCCCCC(=O)CC1CS1 1458a_100000210558_100000031435 [0,1,0,1,0,0|1,0,0]=3 14551 B15R1.9716 CCCCCCCCCC(=O)C[C@@H]1CO1 1458a_100000210558_100000745022 [0,1,0,1,0,0|1,0,0]=3 14552 B15R1.9716 CCCCCCCCCC(=O)NC1CC1 1626a_100000212008_100000210558 [0,1,0,1,0,0|1,0,0]=3 14553 B15R1.9716 CCCCCCCCCC(=O)NC1CC1 240690a_100000212008_100000210558 [0,1,0,1,0,0|1,0,0]=3 14554 B15R1.9716 CCCCCCCCCC(=O)NC1CC1 527a_100000212008_100000210558 [0,1,0,1,0,0|1,0,0]=3 14555 B15R1.9716 CCCCCCCCNC(=O)CC1CC1 11a_100000229939_100000738066 [0,1,0,1,0,0|1,0,0]=3 14556 B15R1.9716 CCCCCCCCNC(=O)CC1CC1 1626a_100000229939_100000738066 [0,1,0,1,0,0|1,0,0]=3 14557 B15R1.9716 CCCCCCCCNC(=O)CC1CC1 240690a_100000229939_100000738066 [0,1,0,1,0,0|1,0,0]=3 14558 B15R1.9716 CCCCCCCCNC(=O)CC1CC1 527a_100000229939_100000738066 [0,1,0,1,0,0|1,0,0]=3 14559 B15R1.9716 CCCCCCCCNC(=O)NC1CC1 2708a_100000212008_100000229939 [0,1,0,1,0,0|1,0,0]=3 14560 B15R1.9716 CCCCCCCCNC(=O)NC1CC1 2708a_100000229939_100000212008 [0,1,0,1,0,0|1,0,0]=3 14561 B15R1.9716 CCCCCCCCNC(=O)NC1CC1 273464a_100000212008_100000229939 [0,1,0,1,0,0|1,0,0]=3 14562 B15R1.9716 CCCCCCCCNC(=O)NC1CC1 273464a_100000229939_100000212008 [0,1,0,1,0,0|1,0,0]=3 14563 B15R1.9716 CCCCCCCCNC(=O)NC1CC1 512a_100000212008_100000229939 [0,1,0,1,0,0|1,0,0]=3 14564 B15R1.9716 CCCCCCCNCC(=O)NC1CC1 2230a_100000229938_100000182950 [0,1,0,1,0,0|2,0,0]=4 14565 B15R1.9716 CCCCCCCNCC(=O)NC1CC1 2230a_100000702991_100000210681 [0,1,0,1,0,0|2,0,0]=4 14566 B15R1.9716 CCCCCCCOCC(=O)NC1CC1 34a_100000210272_100000182950 [0,1,0,1,0,0|2,0,0]=4 14567 B15R1.9716 CCCCCCCOCC(=O)NC1CC1 7a_100000210272_100000182950 [0,1,0,1,0,0|2,0,0]=4 14568 B15R1.9716 CCCCCCCSCC(=O)NC1CC1 62a_100000182950_100000210316 [0,1,0,1,0,0|2,0,0]=4 14569 B15R1.9716 CCCCCCCSCC(=O)NC1CC1 62a_100000210614_100000182950 [0,1,0,1,0,0|2,0,0]=4 14570 B15R1.9716 CCCCCCNCCC(=O)NC1CC1 2230a_100000210581_100000737409 [0,1,0,1,0,0|2,0,0]=4 14571 B15R1.9716 CCCCCCOCCC(=O)NC1CC1 34a_100000210259_100000737409 [0,1,0,1,0,0|2,0,0]=4 14572 B15R1.9716 CCCCCCSCCC(=O)NC1CC1 62a_100000210314_100000737409 [0,1,0,1,0,0|2,0,0]=4 14573 B15R1.9716 CCCCCCSCCC(=O)NC1CC1 62a_100000737409_100000210757 [0,1,0,1,0,0|2,0,0]=4 14574 B15R1.9716 CCCCOCCCNC(=O)CC1CC1 1626a_200000211371_100000738066 [0,1,0,1,0,0|2,0,0]=4 14575 B15R1.9716 CCCCOCCCNC(=O)CC1CC1 240690a_200000211371_100000738066 [0,1,0,1,0,0|2,0,0]=4 14576 B15R1.9716 CCCCOCCCNC(=O)CC1CC1 527a_200000211371_100000738066 [0,1,0,1,0,0|2,0,0]=4 14577 B15R1.9716 CCCCOCCCNC(=O)NC1CC1 2708a_100000212008_200000211371 [0,1,0,1,0,0|2,0,0]=4 14578 B15R1.9716 CCCCOCCCNC(=O)NC1CC1 2708a_200000211371_100000212008 [0,1,0,1,0,0|2,0,0]=4 14579 B15R1.9716 CCCCOCCCNC(=O)NC1CC1 273464a_100000212008_200000211371 [0,1,0,1,0,0|2,0,0]=4 14580 B15R1.9716 CCCCOCCCNC(=O)NC1CC1 273464a_200000211371_100000212008 [0,1,0,1,0,0|2,0,0]=4 14581 B15R1.9716 CCCCOCCCNC(=O)NC1CC1 512a_100000212008_200000211371 [0,1,0,1,0,0|2,0,0]=4 14582 B15R1.9716 O=C(CC1CC1)NCCCCCCCO 240690a_100011996573_100000738066 [0,1,0,1,0,0|2,0,0]=4 14583 B15R1.9716 O=C(CCCCCCCCO)CC1CC1 1458a_100000738066_100000033203 [0,1,0,1,0,0|2,0,0]=4 14584 B15R1.9716 O=C(CCCCCCCCO)NC1CC1 240690a_100000212008_100000015970 [0,1,0,1,0,0|2,0,0]=4 14585 B15R1.9716 O=C(NCCCCCCCO)NC1CC1 2708a_100000212008_100011996573 [0,1,0,1,0,0|2,0,0]=4 14586 B15R1.9716 O=C(NCCCCCCCO)NC1CC1 2708a_100011996573_100000212008 [0,1,0,1,0,0|2,0,0]=4 14587 B15R1.9716 O=C(NCCCCCCCO)NC1CC1 273464a_100000212008_100011996573 [0,1,0,1,0,0|2,0,0]=4 14588 B15R1.9716 O=C(NCCCCCCCO)NC1CC1 273464a_100011996573_100000212008 [0,1,0,1,0,0|2,0,0]=4 14589 B15R1.9716 O=C(NCCCCCCCO)NC1CC1 512a_100000212008_100011996573 [0,1,0,1,0,0|2,0,0]=4 14590 B15R1.22526 CC(C)CC(=O)N1CCCCCCCC1 11a_100000039187_100000210554 [0,1,0,1,0,0|1,0,0]=3 14591 B15R1.22526 CC(C)CC(=O)N1CCCCCCCC1 1626a_100000039187_100000210554 [0,1,0,1,0,0|1,0,0]=3 14592 B15R1.22526 CC(C)CC(=O)N1CCCCCCCC1 240690a_100000039187_100000210554 [0,1,0,1,0,0|1,0,0]=3 14593 B15R1.22526 CC(C)CC(=O)N1CCCCCCCC1 527a_100000039187_100000210554 [0,1,0,1,0,0|1,0,0]=3 14594 B15R1.22526 CC(C)NC(=O)N1CCCCCCCC1 2708a_100138425928_100000039187 [0,1,0,1,0,0|2,0,0]=4 14595 B15R1.22526 CC(C)NC(=O)N1CCCCCCCC1 273464a_100138425928_100000039187 [0,1,0,1,0,0|2,0,0]=4 14596 B15R1.22526 CN(C)CC(=O)N1CCCCCCCC1 11a_100000039187_100000750896 [0,1,0,1,0,0|2,0,0]=4 14597 B15R1.22526 CN(C)CC(=O)N1CCCCCCCC1 240690a_100000039187_100000750896 [0,1,0,1,0,0|2,0,0]=4 14598 B15R1.22526 CN(C)CC(=O)N1CCCCCCCC1 527a_100000039187_100000750896 [0,1,0,1,0,0|2,0,0]=4 14599 B15R1.22526 C[C@@H](O)CC(=O)N1CCCCCCCC1 240690a_100000039187_100011933948 [0,1,0,1,0,0|1,0,0]=3 14600 B15R1.22526 C[S+](C)CC(=O)N1CCCCCCCC1 11a_100000039187_200159257847 [0,1,0,1,0,0|2,0,0]=4 14601 B15R1.22526 C[S+](C)CC(=O)N1CCCCCCCC1 1626a_100000039187_200159257847 [0,1,0,1,0,0|2,0,0]=4 14602 B15R1.22526 C[S+](C)CC(=O)N1CCCCCCCC1 240690a_100000039187_200159257847 [0,1,0,1,0,0|2,0,0]=4 14603 B15R1.22526 C[S+](C)CC(=O)N1CCCCCCCC1 527a_100000039187_200159257847 [0,1,0,1,0,0|2,0,0]=4 14604 B15R1.22532 CC(C)CC(=O)CCN1CCCCCC1 1458a_100000210554_100000722644 [0,1,0,1,0,0|2,0,0]=4 14605 B15R1.22532 CC(C)CC(=O)CCN1CCCCCC1 1458a_100000740320_100000210624 [0,1,0,1,0,0|2,0,0]=4 14606 B15R1.22532 CC(C)CC(=O)NCC1CCCCCC1 11a_100015204231_100000210554 [0,1,0,1,0,0|1,0,0]=3 14607 B15R1.22532 CC(C)CC(=O)NCC1CCCCCC1 1626a_100015204231_100000210554 [0,1,0,1,0,0|1,0,0]=3 14608 B15R1.22532 CC(C)CC(=O)NCC1CCCCCC1 240690a_100015204231_100000210554 [0,1,0,1,0,0|1,0,0]=3 14609 B15R1.22532 CC(C)CC(=O)NCC1CCCCCC1 527a_100015204231_100000210554 [0,1,0,1,0,0|1,0,0]=3 14610 B15R1.22532 CC(C)CC(C)OCC1CCCCCC1 34a_100000211805_200000696569 [0,1,0,1,0,0|1,0,1]=4 14611 B15R1.22532 CC(C)CC(C)OCC1CCCCCC1 34a_100000699130_100000731052 [0,1,0,1,0,0|1,0,1]=4 14612 B15R1.22532 CC(C)CC(C)OCC1CCCCCC1 7a_100000211805_200000696569 [0,1,0,1,0,0|1,0,1]=4 14613 B15R1.22532 CC(C)CC(C)OCC1CCCCCC1 7a_100000699130_100000731052 [0,1,0,1,0,0|1,0,1]=4 14614 B15R1.22532 CC(C)NC(=O)NCC1CCCCCC1 2708a_100015204231_100138425928 [0,1,0,1,0,0|2,0,0]=4 14615 B15R1.22532 CC(C)NC(=O)NCC1CCCCCC1 2708a_100138425928_100015204231 [0,1,0,1,0,0|2,0,0]=4 14616 B15R1.22532 CC(C)NC(=O)NCC1CCCCCC1 273464a_100138425928_100015204231 [0,1,0,1,0,0|2,0,0]=4 14617 B15R1.22532 CC(C)NC(=O)NCC1CCCCCC1 512a_100138425928_100015204231 [0,1,0,1,0,0|2,0,0]=4 14618 B15R1.22532 CC(C)OC(=O)OCN1CCCCCC1 269982a_100000185865_100010125566 [0,1,0,1,0,0|2,0,0]=4 14619 B15R1.22532 CC(O)CC(=O)CCN1CCCCCC1 1458a_100000740320_100011218427 [0,1,0,1,0,0|2,0,0]=4 14620 B15R1.22532 CN(C)CC(=O)NCC1CCCCCC1 11a_100015204231_100000750896 [0,1,0,1,0,0|2,0,0]=4 14621 B15R1.22532 CN(C)CC(=O)NCC1CCCCCC1 240690a_100015204231_100000750896 [0,1,0,1,0,0|2,0,0]=4 14622 B15R1.22532 CN(C)CC(=O)NCC1CCCCCC1 527a_100015204231_100000750896 [0,1,0,1,0,0|2,0,0]=4 14623 B15R1.22532 C[C@@H](O)CC(=O)CCN1CCCCCC1 1458a_100011933948_100000722644 [0,1,0,1,0,0|2,0,0]=4 14624 B15R1.22532 C[C@@H](O)CC(=O)NCC1CCCCCC1 240690a_100015204231_100011933948 [0,1,0,1,0,0|1,0,0]=3 14625 B15R1.22532 C[S+](C)CC(=O)NCC1CCCCCC1 11a_100015204231_200159257847 [0,1,0,1,0,0|2,0,0]=4 14626 B15R1.22532 C[S+](C)CC(=O)NCC1CCCCCC1 1626a_100015204231_200159257847 [0,1,0,1,0,0|2,0,0]=4 14627 B15R1.22532 C[S+](C)CC(=O)NCC1CCCCCC1 240690a_100015204231_200159257847 [0,1,0,1,0,0|2,0,0]=4 14628 B15R1.22532 C[S+](C)CC(=O)NCC1CCCCCC1 527a_100015204231_200159257847 [0,1,0,1,0,0|2,0,0]=4 14629 B15R1.22585 CC(=O)CC(=O)NC1CCCCCCC1 1458a_100000070787_100000183010 [0,1,0,1,0,0|1,0,1]=4 14630 B15R1.22585 CC(C)CC(=O)NC1CCCCCCC1 11a_100000211152_100000210554 [0,1,0,1,0,0|1,0,0]=3 14631 B15R1.22585 CC(C)CC(=O)NC1CCCCCCC1 1626a_100000211152_100000210554 [0,1,0,1,0,0|1,0,0]=3 14632 B15R1.22585 CC(C)CC(=O)NC1CCCCCCC1 240690a_100000211152_100000210554 [0,1,0,1,0,0|1,0,0]=3 14633 B15R1.22585 CC(C)CC(=O)NC1CCCCCCC1 527a_100000211152_100000210554 [0,1,0,1,0,0|1,0,0]=3 14634 B15R1.22585 CC(C)CC(C)OC1CCCCCCC1 34a_100000210054_100000731052 [0,1,0,1,0,0|1,0,1]=4 14635 B15R1.22585 CC(C)CC(C)OC1CCCCCCC1 7a_100000210054_100000731052 [0,1,0,1,0,0|1,0,1]=4 14636 B15R1.22585 CC(C)NC(=O)NC1CCCCCCC1 2708a_100000211152_100138425928 [0,1,0,1,0,0|2,0,0]=4 14637 B15R1.22585 CC(C)NC(=O)NC1CCCCCCC1 2708a_100138425928_100000211152 [0,1,0,1,0,0|2,0,0]=4 14638 B15R1.22585 CC(C)NC(=O)NC1CCCCCCC1 273464a_100138425928_100000211152 [0,1,0,1,0,0|2,0,0]=4 14639 B15R1.22585 CC(C)NC(=O)NC1CCCCCCC1 512a_100000211152_100138425928 [0,1,0,1,0,0|2,0,0]=4 14640 B15R1.22585 CC(C)NC(=O)NC1CCCCCCC1 512a_100138425928_100000211152 [0,1,0,1,0,0|2,0,0]=4 14641 B15R1.22585 CN(C)CC(=O)NC1CCCCCCC1 11a_100000211152_100000750896 [0,1,0,1,0,0|2,0,0]=4 14642 B15R1.22585 CN(C)CC(=O)NC1CCCCCCC1 2230a_100102631434_100000183010 [0,1,0,1,0,0|2,0,0]=4 14643 B15R1.22585 CN(C)CC(=O)NC1CCCCCCC1 240690a_100000211152_100000750896 [0,1,0,1,0,0|2,0,0]=4 14644 B15R1.22585 CN(C)CC(=O)NC1CCCCCCC1 269982a_100102631434_100000183010 [0,1,0,1,0,0|2,0,0]=4 14645 B15R1.22585 CN(C)CC(=O)NC1CCCCCCC1 527a_100000211152_100000750896 [0,1,0,1,0,0|2,0,0]=4 14646 B15R1.22585 C[C@@H](O)CC(=O)NC1CCCCCCC1 240690a_100000211152_100011933948 [0,1,0,1,0,0|1,0,0]=3 14647 B15R1.22585 C[S+](C)CC(=O)NC1CCCCCCC1 11a_100000211152_200159257847 [0,1,0,1,0,0|2,0,0]=4 14648 B15R1.22585 C[S+](C)CC(=O)NC1CCCCCCC1 1626a_100000211152_200159257847 [0,1,0,1,0,0|2,0,0]=4 14649 B15R1.22585 C[S+](C)CC(=O)NC1CCCCCCC1 240690a_100000211152_200159257847 [0,1,0,1,0,0|2,0,0]=4 14650 B15R1.22585 C[S+](C)CC(=O)NC1CCCCCCC1 527a_100000211152_200159257847 [0,1,0,1,0,0|2,0,0]=4 14651 B15R1.106 CCCCCCCCN1CCNC(=O)C1 2230a_100000184651_100000210759 [0,1,0,1,0,0|2,0,0]=4 14652 B15R1.106 CCCCCCCCN1CCOC(=O)C1 2230a_100000131268_100000210759 [0,1,0,1,0,0|2,0,0]=4 14653 B15R1.106 CCCCCCCNC1CCNC(=O)C1 2230a_100016994916_100000210681 [0,1,0,1,0,0|2,0,0]=4 14654 B15R1.106 CCCCCCCNC1CCNC(=O)C1 34a_100016994916_100000210614 [0,1,0,1,0,0|2,0,0]=4 14655 B15R1.106 CCCCCCCOC1C=C(CCC1)C 34a_100011218613_100000210614 [0,1,0,1,0,0|2,0,0]=4 14656 B15R1.106 CCCCCCCOC1CCCC(=O)C1 34a_100012613340_100000210614 [0,1,0,1,0,0|1,0,0]=3 14657 B15R1.106 CCCCCCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210614 [0,1,0,1,0,0|2,0,0]=4 14658 B15R1.106 CCCCCCOCC1CCCC(=O)N1 34a_200000102386_100000210314 [0,1,0,1,0,0|1,0,0]=3 14659 B15R1.106 CCCCCCOCC1CCNC(=O)C1 34a_100009886756_100000210314 [0,1,0,1,0,0|2,0,0]=4 14660 B15R1.106 CCCCCCOCC1COCC(=O)N1 34a_200000101122_100000210314 [0,1,0,1,0,0|2,0,0]=4 14661 B15R1.106 CCCCOCCOC1CCCC(=O)C1 34a_100012613340_100000743108 [0,1,0,1,0,0|2,0,0]=4 14662 B15R1.106 CCCCOCOCC1CCCC(=O)N1 34a_200000102386_100011995733 [0,1,0,1,0,0|2,0,0]=4 14663 B15R1.106 CCCOCCOCC1CCCC(=O)N1 34a_200000102386_100011215938 [0,1,0,1,0,0|2,0,0]=4 14664 B15R1.106 CCOCCCOCC1CCCC(=O)N1 34a_200000102386_100012232248 [0,1,0,1,0,0|2,0,0]=4 14665 B15R1.106 COCCCCOCC1CCCC(=O)N1 34a_200000102386_100000755781 [0,1,0,1,0,0|2,0,0]=4 14666 B15R1.106 O=C1CCCC(C1)OCCCCCCF 34a_100012613340_100015922095 [0,1,0,1,0,0|2,0,0]=4 14667 B15R1.106 O=C1CCCC(C1)OCCCCCCO 34a_100012613340_100000766143 [0,1,0,1,0,0|2,0,0]=4 14668 B15R1.106 O=C1CCCC(N1)COCCCCCF 34a_200000102386_100000729378 [0,1,0,1,0,0|2,0,0]=4 14669 B15R1.106 O=C1CCCC(N1)COCCCCCO 34a_200000102386_100000746330 [0,1,0,1,0,0|2,0,0]=4 14670 B15R1.528 BrCCCCCCCCOC1CCCC1 34a_100009813846_100000179811 [0,1,0,1,0,0|1,0,1]=4 14671 B15R1.528 BrCCCCCCCCOC1CCCC1 7a_100009813846_100000179811 [0,1,0,1,0,0|1,0,1]=4 14672 B15R1.528 CCCCCCCCCOC1CCCC1 34a_100000210269_100011214924 [0,1,0,1,0,0|1,0,1]=4 14673 B15R1.528 CCCCCCCCCOC1CCCC1 34a_100000210712_100000179811 [0,1,0,1,0,0|1,0,1]=4 14674 B15R1.528 CCCCCCCCCOC1CCCC1 7a_100000210269_100000210328 [0,1,0,1,0,0|1,0,1]=4 14675 B15R1.528 CCCCCCCCCOC1CCCC1 7a_100000210712_100000179811 [0,1,0,1,0,0|1,0,1]=4 14676 B15R1.528 CCCCCCCCCOC1CCCO1 34a_100000085407_100011214924 [0,1,0,1,0,0|0,0,2]=4 14677 B15R1.528 CCCCCCCCOCC1=NCCN1 34a_100000210232_100000737910 [0,1,0,1,0,0|2,0,0]=4 14678 B15R1.528 CCCCCCCCOCC1=NCCN1 7a_100000210232_100000737910 [0,1,0,1,0,0|2,0,0]=4 14679 B15R1.528 CCCCCCCCOCC1CCCC1 34a_100000210232_100000740388 [0,1,0,1,0,0|1,0,1]=4 14680 B15R1.528 CCCCCCCCOCC1CCCC1 34a_100000742336_100000210759 [0,1,0,1,0,0|1,0,1]=4 14681 B15R1.528 CCCCCCCCOCC1CCCC1 7a_100000210232_100000740388 [0,1,0,1,0,0|1,0,1]=4 14682 B15R1.528 CCCCCCCCOCC1CCCC1 7a_100000742336_100000210759 [0,1,0,1,0,0|1,0,1]=4 14683 B15R1.528 CCCCCCCCOCC1CCCO1 34a_100000210270_100000210759 [0,1,0,1,0,0|0,0,2]=4 14684 B15R1.528 CCCCCCCCOCC1CCCO1 7a_100000210232_100000203698 [0,1,0,1,0,0|0,0,2]=4 14685 B15R1.528 CCCCCCCCOCC1CCCO1 7a_100000210270_100000210759 [0,1,0,1,0,0|0,0,2]=4 14686 B15R1.528 CCCCCCCCOC[C@H]1CCCN1 34a_100000745186_100000210759 [0,1,0,1,0,0|1,0,1]=4 14687 B15R1.528 CCCCCCNCCOC1CCCC1 34a_100000741755_100000210314 [0,1,0,1,0,0|1,0,1]=4 14688 B15R1.528 CCCCCCOCCOC1CCCC1 34a_100000691444_100000179811 [0,1,0,1,0,0|1,0,1]=4 14689 B15R1.528 CCCCCCOCCOC1CCCC1 34a_100000738311_100000210314 [0,1,0,1,0,0|1,0,1]=4 14690 B15R1.528 CCCCCCOCCOC1CCCC1 7a_100000691444_100000179811 [0,1,0,1,0,0|1,0,1]=4 14691 B15R1.528 CCCCCCOCCOC1CCCC1 7a_100000738311_100000210314 [0,1,0,1,0,0|1,0,1]=4 14692 B15R1.528 CCCCCNCCCOC1CCCC1 34a_100000747560_100000718602 [0,1,0,1,0,0|1,0,1]=4 14693 B15R1.528 CCCCNCCCCOC1CCCC1 34a_200011216965_100000179811 [0,1,0,1,0,0|1,0,1]=4 14694 B15R1.528 CCCCOCCCCOC1CCCC1 34a_200000760531_100000179811 [0,1,0,1,0,0|1,0,1]=4 14695 B15R1.528 CCCCOCCCCOC1CCCC1 7a_200000760531_100000179811 [0,1,0,1,0,0|1,0,1]=4 14696 B15R1.528 CCCCOCCCCOC1CCCO1 34a_100011018183_100000210210 [0,1,0,1,0,0|0,0,2]=4 14697 B15R1.528 CCCCOCCCCOC1CCCO1 7a_100011018183_100000210211 [0,1,0,1,0,0|0,0,2]=4 14698 B15R1.528 ClCCCCCCCCOC1CCCC1 34a_100000033203_100000179811 [0,1,0,1,0,0|1,0,1]=4 14699 B15R1.528 ClCCCCCCCCOC1CCCC1 7a_100000033203_100000179811 [0,1,0,1,0,0|1,0,1]=4 14700 B15R1.528 NCCCCCCCCOC1CCCC1 34a_102515433106_100000179811 [0,1,0,1,0,0|1,0,1]=4 14701 B15R1.528 OCCCCCCCCOC1CCCC1 34a_100000210269_100000033203 [0,1,0,1,0,0|1,0,1]=4 14702 B15R1.528 OCCCCCCCCOC1CCCC1 7a_100000210269_100000033203 [0,1,0,1,0,0|1,0,1]=4 14703 B15R1.528 OCCCCCCCCOC1CCCO1 34a_100000085407_100000033203 [0,1,0,1,0,0|0,0,2]=4 14704 B15R1.603 CCCC(=O)NN=C1CCCC1CCC 4a_100000189770_100000723119 [0,1,0,1,0,0|1,0,1]=4 14705 B15R1.603 CCCC(=O)OCN1CCC[C@H]1COC 2230a_100020646714_100000034017 [0,1,0,1,0,0|1,0,0]=3 14706 B15R1.603 CCCC(=O)OCN1CCC[C@H]1COC 269982a_100020646714_100000034017 [0,1,0,1,0,0|1,0,0]=3 14707 B15R1.603 CCCC(=O)OCN1CCC[C@H]1COC 34a_100020646714_100000034017 [0,1,0,1,0,0|1,0,0]=3 14708 B15R1.603 CCCC(C)OCC1CCCN1CCC 34a_200000694710_100000766640 [0,1,0,1,0,0|1,0,1]=4 14709 B15R1.603 CCCC(C)OCC1CCCN1CCC 7a_200000694710_100000766640 [0,1,0,1,0,0|1,0,1]=4 14710 B15R1.603 CCCC1CCCC1NCC(=O)NCC 270004a_100016988866_100000723119 [0,1,0,1,0,0|2,0,0]=4 14711 B15R1.768 C#CC1CCCCN1COC(=O)CCC 2230a_200020621307_100000034017 [0,1,0,1,0,0|0,0,2]=4 14712 B15R1.768 C#CC1CCCCN1COC(=O)CCC 269982a_200020621307_100000034017 [0,1,0,1,0,0|0,0,2]=4 14713 B15R1.768 C#CC1CCCCN1COC(=O)CCC 34a_200020621307_100000034017 [0,1,0,1,0,0|0,0,2]=4 14714 B15R1.768 CCC1CCCCC1OCC(=O)NCO 34a_100000210738_100000185155 [0,1,0,1,0,0|2,0,0]=4 14715 B15R1.768 CCC1CCCCC1OCC(=O)NCO 7a_100000210738_100000185155 [0,1,0,1,0,0|2,0,0]=4 14716 B15R1.768 CCCC(=O)COC1CCCCC1CC 7a_100000210738_100000747444 [0,1,0,1,0,0|0,0,0]=2 14717 B15R1.768 CCCC(=O)CO[C@H]1CCCC[C@@H]1OC 7a_200009815850_100000747444 [0,1,0,1,0,0|1,0,0]=3 14718 B15R1.768 CCCC(=O)NCC1CCCCN1CC 11a_100000754393_100000211992 [0,1,0,1,0,0|1,0,0]=3 14719 B15R1.768 CCCC(=O)NCC1CCCCN1CC 1626a_100000754393_100000211992 [0,1,0,1,0,0|1,0,0]=3 14720 B15R1.768 CCCC(=O)NCC1CCCCN1CC 240690a_100000754393_100000211992 [0,1,0,1,0,0|1,0,0]=3 14721 B15R1.768 CCCC(=O)NCC1CCCCN1CC 527a_100000754393_100000211992 [0,1,0,1,0,0|1,0,0]=3 14722 B15R1.768 CCCC(=O)NN=C1CCCCC1CC 4a_100000189770_100000757040 [0,1,0,1,0,0|1,0,1]=4 14723 B15R1.768 CCCC(=O)OCN1CCCCC1C#N 34a_100016989756_100000034017 [0,1,0,1,0,0|1,0,1]=4 14724 B15R1.768 CCCC(=O)OCN1CCCCC1CC 2230a_100000210034_100000034017 [0,1,0,1,0,0|0,0,0]=2 14725 B15R1.768 CCCC(=O)OCN1CCCCC1CC 269982a_100000210034_100000034017 [0,1,0,1,0,0|0,0,0]=2 14726 B15R1.768 CCCC(=O)OCN1CCCCC1CC 34a_100000210034_100000034017 [0,1,0,1,0,0|0,0,0]=2 14727 B15R1.768 CCCC(=O)OCN1CCCCC1CO 2230a_100000210821_100000034017 [0,1,0,1,0,0|1,0,0]=3 14728 B15R1.768 CCCC(=O)OCN1CCCCC1CO 269982a_100000210821_100000034017 [0,1,0,1,0,0|1,0,0]=3 14729 B15R1.768 CCCC(=O)OCN1CCCCC1CO 34a_100000210821_100000034017 [0,1,0,1,0,0|1,0,0]=3 14730 B15R1.768 CCCC(=O)OCN1CCOC[C@@H]1CC 2230a_100016988097_100000034017 [0,1,0,1,0,0|1,0,0]=3 14731 B15R1.768 CCCC(=O)OCN1CCOC[C@@H]1CC 269982a_100016988097_100000034017 [0,1,0,1,0,0|1,0,0]=3 14732 B15R1.768 CCCC(=O)OCN1CCOC[C@@H]1CC 34a_100016988097_100000034017 [0,1,0,1,0,0|1,0,0]=3 14733 B15R1.768 CCCC(=O)OCN1CCOC[C@H]1CO 2230a_100000717676_100000034017 [0,1,0,1,0,0|2,0,0]=4 14734 B15R1.768 CCCC(=O)OCN1CCOC[C@H]1CO 269982a_100000717676_100000034017 [0,1,0,1,0,0|2,0,0]=4 14735 B15R1.768 CCCC(=O)OCN1CCOC[C@H]1CO 34a_100000717676_100000034017 [0,1,0,1,0,0|2,0,0]=4 14736 B15R1.768 CCCC(C)COC1CCCCC1CC 34a_100000210738_100011216630 [0,1,0,1,0,0|1,0,1]=4 14737 B15R1.768 CCCC(C)COC1CCCCC1CC 7a_100000210738_100011216630 [0,1,0,1,0,0|1,0,1]=4 14738 B15R1.768 CCCC(C)OCC1CCCCN1CC 34a_100000225091_100000766640 [0,1,0,1,0,0|1,0,1]=4 14739 B15R1.768 CCCC(C)OCC1CCCCN1CC 7a_100000225091_100000766640 [0,1,0,1,0,0|1,0,1]=4 14740 B15R1.768 CCN1CCCCC1CNC(=O)CCO 240690a_100000754393_100011216618 [0,1,0,1,0,0|2,0,0]=4 14741 B15R1.768 CCN1CCCCC1CNC(=O)COC 11a_100000754393_100000210968 [0,1,0,1,0,0|2,0,0]=4 14742 B15R1.768 CCN1CCCCC1CNC(=O)COC 1626a_100000754393_100000210968 [0,1,0,1,0,0|2,0,0]=4 14743 B15R1.768 CCN1CCCCC1CNC(=O)COC 240690a_100000754393_100000210968 [0,1,0,1,0,0|2,0,0]=4 14744 B15R1.768 CCN1CCCCC1CNC(=O)COC 527a_100000754393_100000210968 [0,1,0,1,0,0|2,0,0]=4 14745 B15R1.768 CCN1CCCCC1CNC(=O)CSC 11a_100000754393_100000184570 [0,1,0,1,0,0|2,0,0]=4 14746 B15R1.768 CCN1CCCCC1CNC(=O)CSC 1626a_100000754393_100000184570 [0,1,0,1,0,0|2,0,0]=4 14747 B15R1.768 CCN1CCCCC1CNC(=O)CSC 240690a_100000754393_100000184570 [0,1,0,1,0,0|2,0,0]=4 14748 B15R1.768 CCN1CCCCC1CNC(=O)CSC 527a_100000754393_100000184570 [0,1,0,1,0,0|2,0,0]=4 14749 B15R1.768 CCNC(=O)CCN1CCCCC1CC 2230a_100000210034_100000737597 [0,1,0,1,0,0|2,0,0]=4 14750 B15R1.768 CCNC(=O)CCN1CCCCC1CC 269982a_100000210034_100000737597 [0,1,0,1,0,0|2,0,0]=4 14751 B15R1.768 CCNC(=O)CNC1CCCCC1CC 270004a_100016988866_100000757040 [0,1,0,1,0,0|2,0,0]=4 14752 B15R1.768 CCNC(=O)COC1CCCCC1CC 34a_100000210738_100000183381 [0,1,0,1,0,0|1,0,0]=3 14753 B15R1.768 CCNC(=O)COC1CCCCC1CC 7a_100000210738_100000183381 [0,1,0,1,0,0|1,0,0]=3 14754 B15R1.768 CCNC(=O)COC1CCCCC1CN 34a_100011216029_100000183381 [0,1,0,1,0,0|2,0,0]=4 14755 B15R1.768 CCNC(=O)CO[C@@H]1CCCC[C@H]1NC 34a_100000708425_100000183381 [0,1,0,1,0,0|2,0,0]=4 14756 B15R1.768 CCNC(=O)CO[C@H]1CCCC[C@@H]1OC 34a_200009815850_100000183381 [0,1,0,1,0,0|2,0,0]=4 14757 B15R1.768 CCNC(=O)CO[C@H]1CCCC[C@@H]1OC 7a_200009815850_100000183381 [0,1,0,1,0,0|2,0,0]=4 14758 B15R1.768 CCNC(=O)NCC1CCCCN1CC 2708a_100000754393_100015525214 [0,1,0,1,0,0|2,0,0]=4 14759 B15R1.768 CCNC(=O)NCC1CCCCN1CC 2708a_100015525214_100000754393 [0,1,0,1,0,0|2,0,0]=4 14760 B15R1.768 CCNC(=O)NCC1CCCCN1CC 273464a_100000754393_100015525214 [0,1,0,1,0,0|2,0,0]=4 14761 B15R1.768 CCNC(=O)NCC1CCCCN1CC 273464a_100015525214_100000754393 [0,1,0,1,0,0|2,0,0]=4 14762 B15R1.768 CCNC(=O)NCC1CCCCN1CC 512a_100000754393_100015525214 [0,1,0,1,0,0|2,0,0]=4 14763 B15R1.768 CCNC(=O)NCC1CCCCN1CC 512a_100015525214_100000754393 [0,1,0,1,0,0|2,0,0]=4 14764 B15R1.768 CCOC(=O)CCN1CCCCC1CC 2230a_100000210034_100011206558 [0,1,0,1,0,0|2,0,0]=4 14765 B15R1.768 CCOC(=O)CCN1CCCCC1CC 269982a_100000210034_100011206558 [0,1,0,1,0,0|2,0,0]=4 14766 B15R1.768 CCOC(=O)CCN1CCCCC1CC 34a_100000210034_100000765890 [0,1,0,1,0,0|2,0,0]=4 14767 B15R1.768 CCOC(=O)COC1CCCCC1CC 34a_100000210738_100000188475 [0,1,0,1,0,0|1,0,0]=3 14768 B15R1.768 CCOC(=O)COC1CCCCC1CC 7a_100000210738_100000188475 [0,1,0,1,0,0|1,0,0]=3 14769 B15R1.768 CCOC(=O)COC1CCCCC1CN 34a_100011216029_100000188475 [0,1,0,1,0,0|2,0,0]=4 14770 B15R1.768 CCOC(=O)CO[C@@H]1CCCC[C@H]1NC 34a_100000708425_100000188475 [0,1,0,1,0,0|2,0,0]=4 14771 B15R1.768 CCOC(=O)CO[C@H]1CCCC[C@@H]1OC 34a_200009815850_100000188475 [0,1,0,1,0,0|2,0,0]=4 14772 B15R1.768 CCOC(=O)CO[C@H]1CCCC[C@@H]1OC 7a_200009815850_100000188475 [0,1,0,1,0,0|2,0,0]=4 14773 B15R1.804 CCCC(=O)CNCC1CCCN1CC 2230a_100000211693_100000747444 [0,1,0,1,0,0|2,0,0]=4 14774 B15R1.804 CCCC(=O)COC[C@H]1CCCN1CC 7a_100011739246_100000747444 [0,1,0,1,0,0|1,0,0]=3 14775 B15R1.804 CCCC(=O)OCO[C@@H]1CCC[C@H]1C#N 34a_100011907464_100000034017 [0,1,0,1,0,0|1,0,1]=4 14776 B15R1.804 CCNC(=O)CCNC1CCCC1CC 269862a_100025743525_100000749056 [0,1,0,1,0,0|2,0,0]=4 14777 B15R1.804 CCNC(=O)CCNC1CCCC1CC 270004a_100025743525_100000749056 [0,1,0,1,0,0|2,0,0]=4 14778 B15R1.804 CCNC(=O)COC[C@H]1CCCN1CC 34a_100011739246_100000183381 [0,1,0,1,0,0|2,0,0]=4 14779 B15R1.804 CCNC(=O)COC[C@H]1CCCN1CC 7a_100011739246_100000183381 [0,1,0,1,0,0|2,0,0]=4 14780 B15R1.804 CCOC(=O)CCCN1CCCC1CC 2230a_100000754278_100009991533 [0,1,0,1,0,0|2,0,0]=4 14781 B15R1.804 CCOC(=O)CCCN1CCCC1CC 269982a_100000754278_100009991533 [0,1,0,1,0,0|2,0,0]=4 14782 B15R1.804 CCOC(=O)CCCN1CCCC1CC 34a_100000754278_100009991533 [0,1,0,1,0,0|2,0,0]=4 14783 B15R1.804 CCOC(=O)COC[C@H]1CCCN1CC 34a_100011739246_100000188475 [0,1,0,1,0,0|2,0,0]=4 14784 B15R1.804 CCOC(=O)COC[C@H]1CCCN1CC 7a_100011739246_100000188475 [0,1,0,1,0,0|2,0,0]=4 14785 B15R1.804 CCOC(=O)NCCN1CCCC1CC 269982a_100000754278_200011445536 [0,1,0,1,0,0|2,0,0]=4 14786 B15R1.843 CCCC(=O)N1CCCCC1CCCO 240690a_100011934581_100000211992 [0,1,0,1,0,0|1,0,0]=3 14787 B15R1.843 CCCC(=O)N1CCCCC1CCOC 11a_100015186528_100000211992 [0,1,0,1,0,0|1,0,0]=3 14788 B15R1.843 CCCC(=O)N1CCCCC1CCOC 1626a_100015186528_100000211992 [0,1,0,1,0,0|1,0,0]=3 14789 B15R1.843 CCCC(=O)N1CCCCC1CCOC 240690a_100015186528_100000211992 [0,1,0,1,0,0|1,0,0]=3 14790 B15R1.843 CCCC(=O)N1CCCCC1CCOC 527a_100015186528_100000211992 [0,1,0,1,0,0|1,0,0]=3 14791 B15R1.843 CCCCN1CCCCC1C(=O)OCC 2230a_100016990872_100000210211 [0,1,0,1,0,0|2,0,0]=4 14792 B15R1.843 CCCCN1CCCCC1C(=O)OCC 269982a_100016990872_100000210211 [0,1,0,1,0,0|2,0,0]=4 14793 B15R1.843 CCCOC1CCCCC1C(=O)OCC 7a_100000038711_100000210303 [0,1,0,1,0,0|2,0,0]=4 14794 B15R1.843 CCNC(=O)N1CCCCC1CCCO 2708a_100015525214_100011934581 [0,1,0,1,0,0|2,0,0]=4 14795 B15R1.843 CCNC(=O)N1CCCCC1CCCO 273464a_100015525214_100011934581 [0,1,0,1,0,0|2,0,0]=4 14796 B15R1.843 CCNC(=O)N1CCCCC1CCOC 2708a_100015525214_100015186528 [0,1,0,1,0,0|2,0,0]=4 14797 B15R1.843 CCNC(=O)N1CCCCC1CCOC 273464a_100015525214_100015186528 [0,1,0,1,0,0|2,0,0]=4 14798 B15R1.843 COCC(=O)N1CCCCC1CCCO 240690a_100011934581_100000210968 [0,1,0,1,0,0|2,0,0]=4 14799 B15R1.843 COCCC1CCCCN1C(=O)CCO 240690a_100015186528_100011216618 [0,1,0,1,0,0|2,0,0]=4 14800 B15R1.843 COCCC1CCCCN1C(=O)COC 11a_100015186528_100000210968 [0,1,0,1,0,0|2,0,0]=4 14801 B15R1.843 COCCC1CCCCN1C(=O)COC 1626a_100015186528_100000210968 [0,1,0,1,0,0|2,0,0]=4 14802 B15R1.843 COCCC1CCCCN1C(=O)COC 240690a_100015186528_100000210968 [0,1,0,1,0,0|2,0,0]=4 14803 B15R1.843 COCCC1CCCCN1C(=O)COC 527a_100015186528_100000210968 [0,1,0,1,0,0|2,0,0]=4 14804 B15R1.843 COCCC1CCCCN1C(=O)CSC 11a_100015186528_100000184570 [0,1,0,1,0,0|2,0,0]=4 14805 B15R1.843 COCCC1CCCCN1C(=O)CSC 1626a_100015186528_100000184570 [0,1,0,1,0,0|2,0,0]=4 14806 B15R1.843 COCCC1CCCCN1C(=O)CSC 240690a_100015186528_100000184570 [0,1,0,1,0,0|2,0,0]=4 14807 B15R1.843 COCCC1CCCCN1C(=O)CSC 527a_100015186528_100000184570 [0,1,0,1,0,0|2,0,0]=4 14808 B15R1.843 CSCC(=O)N1CCCCC1CCCO 240690a_100011934581_100000184570 [0,1,0,1,0,0|2,0,0]=4 14809 B15R1.843 O=C(CCO)N1CCCCC1CCCO 240690a_100011934581_100011216618 [0,1,0,1,0,0|2,0,0]=4 14810 B15R1.1950 CCCCCCCN1CCNC(=O)CC1 2230a_100000698595_100000210681 [0,1,0,1,0,0|2,0,0]=4 14811 B15R1.1950 CCCCCCCN1CCNC(=O)CC1 269982a_100000698595_100000210681 [0,1,0,1,0,0|2,0,0]=4 14812 B15R1.2461 CCCC(=O)CNCC1CCCCCC1 2230a_100015204231_100000747444 [0,1,0,1,0,0|1,0,0]=3 14813 B15R1.2461 CCCC(=O)COCC1CCCCCC1 7a_100000699130_100000747444 [0,1,0,1,0,0|0,0,0]=2 14814 B15R1.2461 CCCC(=O)CON=C1CCCCCC1 1458a_100011946284_100000210303 [0,1,0,1,0,0|1,0,1]=4 14815 B15R1.2461 CCCC(=O)CSCC1CCCCCC1 62a_100000747444_200000696569 [0,1,0,1,0,0|0,1,0]=3 14816 B15R1.2461 CCCC(=O)CSCC1CCCCCC1 62a_200000696569_100000747444 [0,1,0,1,0,0|0,1,0]=3 14817 B15R1.2461 CCCC(=O)NCCC1CCCCCC1 11a_100011532351_100000211992 [0,1,0,1,0,0|1,0,0]=3 14818 B15R1.2461 CCCC(=O)NCCC1CCCCCC1 1626a_100011532351_100000211992 [0,1,0,1,0,0|1,0,0]=3 14819 B15R1.2461 CCCC(=O)NCCC1CCCCCC1 240690a_100011532351_100000211992 [0,1,0,1,0,0|1,0,0]=3 14820 B15R1.2461 CCCC(=O)NCCC1CCCCCC1 527a_100011532351_100000211992 [0,1,0,1,0,0|1,0,0]=3 14821 B15R1.2461 CCCC(=O)NCCN1CCCCCC1 11a_100000738142_100000211992 [0,1,0,1,0,0|1,0,0]=3 14822 B15R1.2461 CCCC(=O)NCCN1CCCCCC1 240690a_100000738142_100000211992 [0,1,0,1,0,0|1,0,0]=3 14823 B15R1.2461 CCCC(=O)NCCN1CCCCCC1 527a_100000738142_100000211992 [0,1,0,1,0,0|1,0,0]=3 14824 B15R1.2461 CCCC(=O)NN=CC1CCCCCC1 4a_100000189770_200000763224 [0,1,0,1,0,0|1,0,1]=4 14825 B15R1.2461 CCCC(=O)OCNC1CCCCCC1 2230a_100000210984_100000034017 [0,1,0,1,0,0|0,0,0]=2 14826 B15R1.2461 CCCC(=O)OCNC1CCCCCC1 34a_100000210984_100000034017 [0,1,0,1,0,0|0,0,0]=2 14827 B15R1.2461 CCCC(=O)OCOC1CCCCCC1 34a_100000210887_100000034017 [0,1,0,1,0,0|0,0,0]=2 14828 B15R1.2461 CCCC(=O)OCSC1CCCCCC1 62a_100011217769_100000034017 [0,1,0,1,0,0|0,0,0]=2 14829 B15R1.2461 CCCC(C)COCC1CCCCCC1 34a_100000688023_200000696569 [0,1,0,1,0,0|1,0,1]=4 14830 B15R1.2461 CCCC(C)COCC1CCCCCC1 34a_100000699130_100011216630 [0,1,0,1,0,0|1,0,1]=4 14831 B15R1.2461 CCCC(C)COCC1CCCCCC1 7a_100000688023_200000696569 [0,1,0,1,0,0|1,0,1]=4 14832 B15R1.2461 CCCC(C)COCC1CCCCCC1 7a_100000699130_100011216630 [0,1,0,1,0,0|1,0,1]=4 14833 B15R1.2461 CCCC(C)OCCN1CCCCCC1 34a_100000238007_100000766640 [0,1,0,1,0,0|1,0,1]=4 14834 B15R1.2461 CCCC(C)OCCN1CCCCCC1 7a_100000764384_100000722644 [0,1,0,1,0,0|1,0,1]=4 14835 B15R1.2461 CCC[C@H](N)COCC1CCCCCC1 34a_100000732646_200000696569 [0,1,0,1,0,0|1,0,1]=4 14836 B15R1.2461 CCNC(=O)CCNC1CCCCCC1 2230a_100000210984_100000737597 [0,1,0,1,0,0|2,0,0]=4 14837 B15R1.2461 CCNC(=O)CCNC1CCCCCC1 270004a_100025743525_100000210131 [0,1,0,1,0,0|2,0,0]=4 14838 B15R1.2461 CCNC(=O)CCNC1CCCCCC1 34a_100025743525_100011217769 [0,1,0,1,0,0|2,0,0]=4 14839 B15R1.2461 CCNC(=O)CCOC1CCCCCC1 7a_100000210887_100000737597 [0,1,0,1,0,0|2,0,0]=4 14840 B15R1.2461 CCNC(=O)CCSC1CCCCCC1 62a_100000737597_100011217769 [0,1,0,1,0,0|2,0,0]=4 14841 B15R1.2461 CCNC(=O)CCSC1CCCCCC1 62a_100011217769_100000737597 [0,1,0,1,0,0|2,0,0]=4 14842 B15R1.2461 CCNC(=O)CNCC1CCCCCC1 2230a_100015204231_100000183381 [0,1,0,1,0,0|2,0,0]=4 14843 B15R1.2461 CCNC(=O)CNCC1CCCCCC1 2230a_100016988866_200000696569 [0,1,0,1,0,0|2,0,0]=4 14844 B15R1.2461 CCNC(=O)CNCC1CCCCCC1 34a_100015204231_100000183381 [0,1,0,1,0,0|2,0,0]=4 14845 B15R1.2461 CCNC(=O)COCC1CCCCCC1 34a_100000699130_100000183381 [0,1,0,1,0,0|1,0,0]=3 14846 B15R1.2461 CCNC(=O)COCC1CCCCCC1 7a_100000699130_100000183381 [0,1,0,1,0,0|1,0,0]=3 14847 B15R1.2461 CCNC(=O)CSCC1CCCCCC1 62a_100000183381_200000696569 [0,1,0,1,0,0|1,1,0]=4 14848 B15R1.2461 CCNC(=O)CSCC1CCCCCC1 62a_200000696569_100000183381 [0,1,0,1,0,0|1,1,0]=4 14849 B15R1.2461 CCNC(=O)NCCC1CCCCCC1 2708a_100011532351_100015525214 [0,1,0,1,0,0|2,0,0]=4 14850 B15R1.2461 CCNC(=O)NCCC1CCCCCC1 2708a_100015525214_100011532351 [0,1,0,1,0,0|2,0,0]=4 14851 B15R1.2461 CCNC(=O)NCCC1CCCCCC1 273464a_100011532351_100015525214 [0,1,0,1,0,0|2,0,0]=4 14852 B15R1.2461 CCNC(=O)NCCC1CCCCCC1 273464a_100015525214_100011532351 [0,1,0,1,0,0|2,0,0]=4 14853 B15R1.2461 CCNC(=O)NCCC1CCCCCC1 512a_100015525214_100011532351 [0,1,0,1,0,0|2,0,0]=4 14854 B15R1.2461 CCNC(=O)NCCN1CCCCCC1 2708a_100015525214_100000738142 [0,1,0,1,0,0|2,0,0]=4 14855 B15R1.2461 CCNC(=O)NCCN1CCCCCC1 273464a_100000738142_100015525214 [0,1,0,1,0,0|2,0,0]=4 14856 B15R1.2461 CCNC(=O)NCCN1CCCCCC1 273464a_100015525214_100000738142 [0,1,0,1,0,0|2,0,0]=4 14857 B15R1.2461 CCNC(=O)NCCN1CCCCCC1 512a_100000738142_100015525214 [0,1,0,1,0,0|2,0,0]=4 14858 B15R1.2461 CCOC(=O)CCCN1CCCCCC1 2230a_100000185865_100009991533 [0,1,0,1,0,0|2,0,0]=4 14859 B15R1.2461 CCOC(=O)CCCN1CCCCCC1 269982a_100000185865_100009991533 [0,1,0,1,0,0|2,0,0]=4 14860 B15R1.2461 CCOC(=O)CCCN1CCCCCC1 34a_100000185865_100009991533 [0,1,0,1,0,0|2,0,0]=4 14861 B15R1.2461 CCOC(=O)CCNC1CCCCCC1 2230a_100000210984_100011206558 [0,1,0,1,0,0|2,0,0]=4 14862 B15R1.2461 CCOC(=O)CCNC1CCCCCC1 34a_100000210984_100000765890 [0,1,0,1,0,0|2,0,0]=4 14863 B15R1.2461 CCOC(=O)CCOC1CCCCCC1 34a_100000210887_100000765890 [0,1,0,1,0,0|2,0,0]=4 14864 B15R1.2461 CCOC(=O)CCOC1CCCCCC1 7a_100000210887_100011206558 [0,1,0,1,0,0|2,0,0]=4 14865 B15R1.2461 CCOC(=O)CCSC1CCCCCC1 62a_100000765890_100011217769 [0,1,0,1,0,0|2,0,0]=4 14866 B15R1.2461 CCOC(=O)CCSC1CCCCCC1 62a_100011217769_100000765890 [0,1,0,1,0,0|2,0,0]=4 14867 B15R1.2461 CCOC(=O)CNCC1CCCCCC1 2230a_100015204231_100000188475 [0,1,0,1,0,0|2,0,0]=4 14868 B15R1.2461 CCOC(=O)CNCC1CCCCCC1 34a_100015204231_100000188475 [0,1,0,1,0,0|2,0,0]=4 14869 B15R1.2461 CCOC(=O)COCC1CCCCCC1 34a_100000699130_100000188475 [0,1,0,1,0,0|1,0,0]=3 14870 B15R1.2461 CCOC(=O)COCC1CCCCCC1 7a_100000699130_100000188475 [0,1,0,1,0,0|1,0,0]=3 14871 B15R1.2461 CCOC(=O)CSCC1CCCCCC1 62a_100000188475_200000696569 [0,1,0,1,0,0|1,1,0]=4 14872 B15R1.2461 CCOC(=O)CSCC1CCCCCC1 62a_200000696569_100000188475 [0,1,0,1,0,0|1,1,0]=4 14873 B15R1.2461 CCOC(=O)NCCN1CCCCCC1 269982a_100000185865_200011445536 [0,1,0,1,0,0|2,0,0]=4 14874 B15R1.2461 CCOC(=O)OCSC1CCCCCC1 62a_100011217769_100000075025 [0,1,0,1,0,0|1,0,0]=3 14875 B15R1.2461 COCC(=O)NCCC1CCCCCC1 11a_100011532351_100000210968 [0,1,0,1,0,0|2,0,0]=4 14876 B15R1.2461 COCC(=O)NCCC1CCCCCC1 1626a_100011532351_100000210968 [0,1,0,1,0,0|2,0,0]=4 14877 B15R1.2461 COCC(=O)NCCC1CCCCCC1 240690a_100011532351_100000210968 [0,1,0,1,0,0|2,0,0]=4 14878 B15R1.2461 COCC(=O)NCCC1CCCCCC1 527a_100011532351_100000210968 [0,1,0,1,0,0|2,0,0]=4 14879 B15R1.2461 COCC(=O)NCCN1CCCCCC1 11a_100000738142_100000210968 [0,1,0,1,0,0|2,0,0]=4 14880 B15R1.2461 COCC(=O)NCCN1CCCCCC1 240690a_100000738142_100000210968 [0,1,0,1,0,0|2,0,0]=4 14881 B15R1.2461 COCC(=O)NCCN1CCCCCC1 527a_100000738142_100000210968 [0,1,0,1,0,0|2,0,0]=4 14882 B15R1.2461 CSCC(=O)NCCC1CCCCCC1 11a_100011532351_100000184570 [0,1,0,1,0,0|2,0,0]=4 14883 B15R1.2461 CSCC(=O)NCCC1CCCCCC1 1626a_100011532351_100000184570 [0,1,0,1,0,0|2,0,0]=4 14884 B15R1.2461 CSCC(=O)NCCC1CCCCCC1 240690a_100011532351_100000184570 [0,1,0,1,0,0|2,0,0]=4 14885 B15R1.2461 CSCC(=O)NCCC1CCCCCC1 527a_100011532351_100000184570 [0,1,0,1,0,0|2,0,0]=4 14886 B15R1.2461 CSCC(=O)NCCN1CCCCCC1 11a_100000738142_100000184570 [0,1,0,1,0,0|2,0,0]=4 14887 B15R1.2461 CSCC(=O)NCCN1CCCCCC1 240690a_100000738142_100000184570 [0,1,0,1,0,0|2,0,0]=4 14888 B15R1.2461 CSCC(=O)NCCN1CCCCCC1 527a_100000738142_100000184570 [0,1,0,1,0,0|2,0,0]=4 14889 B15R1.2461 O=C(CCO)NCCC1CCCCCC1 240690a_100011532351_100011216618 [0,1,0,1,0,0|2,0,0]=4 14890 B15R1.2461 O=C(CCO)NCCN1CCCCCC1 240690a_100000738142_100011216618 [0,1,0,1,0,0|2,0,0]=4 14891 B15R1.2461 O=C(COCC1CCCCCC1)NCO 34a_100000699130_100000185155 [0,1,0,1,0,0|2,0,0]=4 14892 B15R1.2461 O=C(COCC1CCCCCC1)NCO 7a_100000699130_100000185155 [0,1,0,1,0,0|2,0,0]=4 14893 B15R1.3880 CCCC(=O)CN1CCCCC1CCC 2230a_100000701414_100000747444 [0,1,0,1,0,0|1,0,0]=3 14894 B15R1.3880 CCCC(=O)CN1CCCCC1CCC 269982a_100000701414_100000747444 [0,1,0,1,0,0|1,0,0]=3 14895 B15R1.3880 CCCC(=O)CN1CCCCC1CCO 2230a_100000211664_100000747444 [0,1,0,1,0,0|2,0,0]=4 14896 B15R1.3880 CCCC(=O)CN1CCCCC1CCO 269982a_100000211664_100000747444 [0,1,0,1,0,0|2,0,0]=4 14897 B15R1.3880 CCCC(=O)CN1CCCCC1COC 2230a_100015184032_100000747444 [0,1,0,1,0,0|2,0,0]=4 14898 B15R1.3880 CCCC(=O)CN1CCCCC1COC 269982a_100015184032_100000747444 [0,1,0,1,0,0|2,0,0]=4 14899 B15R1.3880 CCCC(=O)CN1CCOCC1CCC 2230a_102495339903_100000747444 [0,1,0,1,0,0|2,0,0]=4 14900 B15R1.3880 CCCC(=O)CN1CCOCC1CCC 269982a_102495339903_100000747444 [0,1,0,1,0,0|2,0,0]=4 14901 B15R1.3880 CCCC(C)OC1CCCCC1CCC 34a_100011217265_100000766640 [0,1,0,1,0,0|1,0,1]=4 14902 B15R1.3880 CCCC(C)OC1CCCCC1CCC 7a_100011217265_100000766640 [0,1,0,1,0,0|1,0,1]=4 14903 B15R1.3880 CCCC1CCCCN1CC(=O)NCC 2230a_100000701414_100000183381 [0,1,0,1,0,0|2,0,0]=4 14904 B15R1.3880 CCCC1CCCCN1CC(=O)NCC 269982a_100000701414_100000183381 [0,1,0,1,0,0|2,0,0]=4 14905 B15R1.3880 CCCC1CCCCN1CC(=O)NCC 34a_100000701414_100000183381 [0,1,0,1,0,0|2,0,0]=4 14906 B15R1.3880 CCCC1CCCCN1CC(=O)OCC 2230a_100000701414_100000188475 [0,1,0,1,0,0|2,0,0]=4 14907 B15R1.3880 CCCC1CCCCN1CC(=O)OCC 269982a_100000701414_100000188475 [0,1,0,1,0,0|2,0,0]=4 14908 B15R1.3880 CCCC1CCCCN1CC(=O)OCC 34a_100000701414_100000188475 [0,1,0,1,0,0|2,0,0]=4 14909 B15R1.3880 CCCN1CCCCC1CC(=O)OCC 2230a_100116209990_100000210303 [0,1,0,1,0,0|2,0,0]=4 14910 B15R1.3880 CCCN1CCCCC1CC(=O)OCC 269982a_100116209990_100000210303 [0,1,0,1,0,0|2,0,0]=4 14911 B15R1.9209 CCCCCN1CCC[C@H]1C(=O)NCC 2230a_100020641767_100000210326 [0,1,0,1,0,0|2,0,0]=4 14912 B15R1.9209 CCCCCN1CCC[C@H]1C(=O)NCC 269982a_100020641767_100000210215 [0,1,0,1,0,0|2,0,0]=4 14913 B15R1.9209 CCCCCN1CCC[C@H]1C(=O)NCC 34a_100020641767_100000718602 [0,1,0,1,0,0|2,0,0]=4 14914 B15R1.9209 CCCCCN1CCC[C@H]1C(=O)OCC 2230a_100000703725_100000210326 [0,1,0,1,0,0|2,0,0]=4 14915 B15R1.9209 CCCCCN1CCC[C@H]1C(=O)OCC 269982a_100000703725_100000210215 [0,1,0,1,0,0|2,0,0]=4 14916 B15R1.9209 CCCCO[C@H]1CCC[C@H]1C(=O)OCC 7a_200015395474_100000210211 [0,1,0,1,0,0|2,0,0]=4 14917 B15R1.9497 CCC1C(=O)NCCN1CCCCCF 2230a_100000187962_100000729378 [0,1,0,1,0,0|2,0,0]=4 14918 B15R1.9497 CCC1C(=O)NCCN1CCCCCF 269982a_100000187962_100000729378 [0,1,0,1,0,0|2,0,0]=4 14919 B15R1.9497 CCC1C(=O)NCCN1CCCCCF 34a_100000187962_100000729378 [0,1,0,1,0,0|2,0,0]=4 14920 B15R1.9497 CCC1C(=O)NCCN1CCCCCO 2230a_100000187962_100000746330 [0,1,0,1,0,0|2,0,0]=4 14921 B15R1.9497 CCC1C(=O)NCCN1CCCCCO 269982a_100000187962_100000746330 [0,1,0,1,0,0|2,0,0]=4 14922 B15R1.9497 CCC1C(=O)NCCN1CCCCCO 34a_100000187962_100000746330 [0,1,0,1,0,0|2,0,0]=4 14923 B15R1.9497 CCC1C(=O)NCCN1CCCCOC 2230a_100000187962_100000730899 [0,1,0,1,0,0|2,0,0]=4 14924 B15R1.9497 CCC1C(=O)NCCN1CCCCOC 269982a_100000187962_100000730899 [0,1,0,1,0,0|2,0,0]=4 14925 B15R1.9497 CCC1C(=O)NCCN1CCCCOC 34a_100000187962_100000755781 [0,1,0,1,0,0|2,0,0]=4 14926 B15R1.9497 CCCCCCN1CCNC(=O)C1CC 2230a_100000187962_100000210314 [0,1,0,1,0,0|1,0,0]=3 14927 B15R1.9497 CCCCCCN1CCNC(=O)C1CC 269982a_100000187962_100000210757 [0,1,0,1,0,0|1,0,0]=3 14928 B15R1.9497 CCCCCCN1CCNC(=O)C1CC 34a_100000187962_100000210314 [0,1,0,1,0,0|1,0,0]=3 14929 B15R1.9497 CCCCOCN1CCNC(=O)C1CC 2230a_100000187962_100011995733 [0,1,0,1,0,0|2,0,0]=4 14930 B15R1.9497 CCCCOCN1CCNC(=O)C1CC 269982a_100000187962_100011995733 [0,1,0,1,0,0|2,0,0]=4 14931 B15R1.9497 CCCCOCN1CCNC(=O)C1CC 34a_100000187962_100011995733 [0,1,0,1,0,0|2,0,0]=4 14932 B15R1.9497 CCCOCCN1CCNC(=O)C1CC 2230a_100000187962_100011215938 [0,1,0,1,0,0|2,0,0]=4 14933 B15R1.9497 CCCOCCN1CCNC(=O)C1CC 269982a_100000187962_100011215938 [0,1,0,1,0,0|2,0,0]=4 14934 B15R1.9497 CCCOCCN1CCNC(=O)C1CC 34a_100000187962_100011215938 [0,1,0,1,0,0|2,0,0]=4 14935 B15R1.9497 CCOCCCN1CCNC(=O)C1CC 2230a_100000187962_100012232248 [0,1,0,1,0,0|2,0,0]=4 14936 B15R1.9497 CCOCCCN1CCNC(=O)C1CC 269982a_100000187962_100012232248 [0,1,0,1,0,0|2,0,0]=4 14937 B15R1.9497 CCOCCCN1CCNC(=O)C1CC 34a_100000187962_100012232248 [0,1,0,1,0,0|2,0,0]=4 14938 B15R1.10442 CCOC(=O)CCCCCCNC1CC1 34a_100000212008_100009814379 [0,1,0,1,0,0|2,0,0]=4 14939 B15R1.10442 CCOC(=O)CCCCCNCC1CC1 2230a_100000735609_100000755133 [0,1,0,1,0,0|2,0,0]=4 14940 B15R1.10442 CCOC(=O)CCCCCNCC1CC1 34a_100000735609_100000755133 [0,1,0,1,0,0|2,0,0]=4 14941 B15R1.10442 CCOC(=O)CCCCCOCC1CC1 34a_100000211283_100000755133 [0,1,0,1,0,0|2,0,0]=4 14942 B15R1.10442 CCOC(=O)CCCCCOCC1CC1 7a_100011214988_100000742324 [0,1,0,1,0,0|2,0,0]=4 14943 B15R1.10442 CCOC(=O)CCCCCSCC1CC1 62a_100000755133_100000742324 [0,1,0,1,0,0|2,0,0]=4 14944 B15R1.10442 CCOC(=O)CCCCCSCC1CC1 62a_100000756562_100000755133 [0,1,0,1,0,0|2,0,0]=4 14945 B15R1.10442 CCOC(=O)CCCCNCCC1CC1 34a_100000764129_100000750268 [0,1,0,1,0,0|2,0,0]=4 14946 B15R1.10442 CCOC(=O)CCCCOCCC1CC1 34a_100000754188_100000750268 [0,1,0,1,0,0|2,0,0]=4 14947 B15R1.10442 CCOC(=O)CCCCOCCC1CC1 7a_100000754188_100000750268 [0,1,0,1,0,0|2,0,0]=4 14948 B15R1.10442 CCOC(=O)CCCCSCCC1CC1 62a_100000750268_100000764125 [0,1,0,1,0,0|2,0,0]=4 14949 B15R1.10442 CCOC(=O)CCCCSCCC1CC1 62a_100000764125_100000750268 [0,1,0,1,0,0|2,0,0]=4 14950 B15R1.10442 CCOC(=O)COCCCNCC1CC1 2230a_100000735609_100009893628 [0,1,0,1,0,0|2,0,0]=4 14951 B15R1.10442 CCOC(=O)COCCCNCC1CC1 34a_100000735609_100009893628 [0,1,0,1,0,0|2,0,0]=4 14952 B15R1.10442 CCOC(=O)COCCCOCC1CC1 34a_100000211283_100009893628 [0,1,0,1,0,0|2,0,0]=4 14953 B15R1.10442 CCOC(=O)COCCCSCC1CC1 62a_100000756562_100009893628 [0,1,0,1,0,0|2,0,0]=4 14954 B15R1.10442 CCOC(=O)COCCCSCC1CC1 62a_100009893628_100000742324 [0,1,0,1,0,0|2,0,0]=4 14955 B15R1.10442 CCOC(=O)COCCNCCC1CC1 34a_100000764129_100000088970 [0,1,0,1,0,0|2,0,0]=4 14956 B15R1.10442 CCOC(=O)COCCOCCC1CC1 34a_100000754188_100000088970 [0,1,0,1,0,0|2,0,0]=4 14957 B15R1.10442 CCOC(=O)COCCOCCC1CC1 7a_100000754188_100000088970 [0,1,0,1,0,0|2,0,0]=4 14958 B15R1.10442 CCOC(=O)COCCSCCC1CC1 62a_100000088970_100000764125 [0,1,0,1,0,0|2,0,0]=4 14959 B15R1.10442 CCOC(=O)COCCSCCC1CC1 62a_100000764125_100000088970 [0,1,0,1,0,0|2,0,0]=4 14960 B15R1.12171 C#CCCCCCCOCC(=O)C1CC1 34a_100000686663_100012276617 [0,1,0,1,0,0|0,0,2]=4 14961 B15R1.12171 C#CCCCCCCOCC(=O)C1CC1 34a_100011217361_100000746382 [0,1,0,1,0,0|0,0,2]=4 14962 B15R1.12171 C#CCCCCCCOCC(=O)C1CC1 7a_100011217361_100000746382 [0,1,0,1,0,0|0,0,2]=4 14963 B15R1.12171 C#CCCCCCOCOC(=O)C1CC1 34a_100000766912_100000140896 [0,1,0,1,0,0|0,0,2]=4 14964 B15R1.12171 C#CCCCCCSCOC(=O)C1CC1 62a_100000140896_100012094781 [0,1,0,1,0,0|0,0,2]=4 14965 B15R1.12171 C#CCCCCCSCOC(=O)C1CC1 62a_100012094781_100000140896 [0,1,0,1,0,0|0,0,2]=4 14966 B15R1.12171 C=CCCCCCCCCC(=O)C1CC1 1458a_100000210395_100011933949 [0,1,0,1,0,0|1,0,1]=4 14967 B15R1.12171 C=CCCCCCCOCC(=O)C1CC1 34a_100000686663_100011215473 [0,1,0,1,0,0|0,0,2]=4 14968 B15R1.12171 C=CCCCCCCOCC(=O)C1CC1 34a_200011216477_100000746382 [0,1,0,1,0,0|0,0,2]=4 14969 B15R1.12171 C=CCCCCCCOCC(=O)C1CC1 7a_200011216477_100000746382 [0,1,0,1,0,0|0,0,2]=4 14970 B15R1.12171 C=CCCCCCOCOC(=O)C1CC1 34a_100011216702_100000140896 [0,1,0,1,0,0|0,0,2]=4 14971 B15R1.12171 C=CCCCCCSCOC(=O)C1CC1 62a_100000140896_100000700193 [0,1,0,1,0,0|0,0,2]=4 14972 B15R1.12171 C=CCCCCCSCOC(=O)C1CC1 62a_100000700193_100000140896 [0,1,0,1,0,0|0,0,2]=4 14973 B15R1.12171 CC(OCCCCCCCCO)C1CC1 34a_100000744524_100000033203 [0,1,0,1,0,0|1,0,1]=4 14974 B15R1.12171 CC(OCCCCCCCCO)C1CC1 7a_100000744524_100000033203 [0,1,0,1,0,0|1,0,1]=4 14975 B15R1.12171 CC/C=C/CCCOCOC(=O)C1CC1 34a_100016287902_100000140896 [0,1,0,1,0,0|0,0,2]=4 14976 B15R1.12171 CC/C=C\CCCCOCC(=O)C1CC1 34a_100016287862_100000746382 [0,1,0,1,0,0|0,0,2]=4 14977 B15R1.12171 CC/C=C\CCCCOCC(=O)C1CC1 7a_100016287862_100000746382 [0,1,0,1,0,0|0,0,2]=4 14978 B15R1.12171 CCC#CCCCCCCC(=O)C1CC1 1458a_100000210395_200000036426 [0,1,0,1,0,0|1,0,1]=4 14979 B15R1.12171 CCCC#CCCOCOC(=O)C1CC1 34a_100000042726_100000140896 [0,1,0,1,0,0|0,0,2]=4 14980 B15R1.12171 CCCC/C=C/COCOC(=O)C1CC1 34a_200016272032_100000140896 [0,1,0,1,0,0|0,0,2]=4 14981 B15R1.12171 CCCC/C=C\CCOCC(=O)C1CC1 34a_200016286491_100000746382 [0,1,0,1,0,0|0,0,2]=4 14982 B15R1.12171 CCCC/C=C\CCOCC(=O)C1CC1 7a_200016286491_100000746382 [0,1,0,1,0,0|0,0,2]=4 14983 B15R1.12171 CCCCC#CCCOCC(=O)C1CC1 34a_100000037610_100000746382 [0,1,0,1,0,0|0,0,2]=4 14984 B15R1.12171 CCCCC#CCCOCC(=O)C1CC1 7a_100000037610_100000746382 [0,1,0,1,0,0|0,0,2]=4 14985 B15R1.12171 CCCCC#CCOCOC(=O)C1CC1 34a_200000034558_100000140896 [0,1,0,1,0,0|0,0,2]=4 14986 B15R1.12171 CCCCC/C=C/COCC(=O)C1CC1 34a_100016258190_100000746382 [0,1,0,1,0,0|0,0,2]=4 14987 B15R1.12171 CCCCC/C=C/COCC(=O)C1CC1 7a_100016258190_100000746382 [0,1,0,1,0,0|0,0,2]=4 14988 B15R1.12171 CCCCCC#CCOCC(=O)C1CC1 34a_100000686663_100009816472 [0,1,0,1,0,0|0,0,2]=4 14989 B15R1.12171 CCCCCC#CCOCC(=O)C1CC1 34a_200000033628_100000746382 [0,1,0,1,0,0|0,0,2]=4 14990 B15R1.12171 CCCCCC#CCOCC(=O)C1CC1 7a_200000033628_100000746382 [0,1,0,1,0,0|0,0,2]=4 14991 B15R1.12171 CCCCCCCC=NNC(=O)C1CC1 4a_100000183419_100000210592 [0,1,0,1,0,0|1,0,1]=4 14992 B15R1.12171 CCCCCCCCCCC(=O)C1CC1 1458a_100000210395_100000210319 [0,1,0,1,0,0|1,0,0]=3 14993 B15R1.12171 CCCCCCCCCCC(=O)C1CO1 1458a_100000701028_100000210319 [0,1,0,1,0,0|2,0,0]=4 14994 B15R1.12171 CCCCCCCCCNC(=O)C1CC1 11a_100000212291_100000210395 [0,1,0,1,0,0|1,0,0]=3 14995 B15R1.12171 CCCCCCCCCNC(=O)C1CC1 1626a_100000212291_100000210395 [0,1,0,1,0,0|1,0,0]=3 14996 B15R1.12171 CCCCCCCCCNC(=O)C1CC1 240690a_100000212291_100000210395 [0,1,0,1,0,0|1,0,0]=3 14997 B15R1.12171 CCCCCCCCCNC(=O)C1CC1 527a_100000212291_100000210395 [0,1,0,1,0,0|1,0,0]=3 14998 B15R1.12171 CCCCCCCCCNC(=O)C1CO1 11a_100000212291_100000701028 [0,1,0,1,0,0|2,0,0]=4 14999 B15R1.12171 CCCCCCCCCNC(=O)C1CO1 1626a_100000212291_100000701028 [0,1,0,1,0,0|2,0,0]=4 15000 B15R1.12171 CCCCCCCCCNC(=O)C1CO1 240690a_100000212291_100000701028 [0,1,0,1,0,0|2,0,0]=4 15001 B15R1.12171 CCCCCCCCCNC(=O)C1CO1 527a_100000212291_100000701028 [0,1,0,1,0,0|2,0,0]=4 15002 B15R1.12171 CCCCCCCCCOC(C)C1CC1 34a_100000744524_100011214924 [0,1,0,1,0,0|1,0,1]=4 15003 B15R1.12171 CCCCCCCCCOC(C)C1CC1 7a_100000744524_100000210328 [0,1,0,1,0,0|1,0,1]=4 15004 B15R1.12171 CCCCCCCCNCC(=O)C1CC1 2230a_100000229939_100000746382 [0,1,0,1,0,0|1,0,0]=3 15005 B15R1.12171 CCCCCCCCNCC(=O)C1CC1 34a_100000229939_100000746382 [0,1,0,1,0,0|1,0,0]=3 15006 B15R1.12171 CCCCCCCCOCC(=O)C1CC1 34a_100000210232_100000746382 [0,1,0,1,0,0|0,0,0]=2 15007 B15R1.12171 CCCCCCCCOCC(=O)C1CC1 34a_100000686663_100000210759 [0,1,0,1,0,0|0,0,0]=2 15008 B15R1.12171 CCCCCCCCOCC(=O)C1CC1 7a_100000210232_100000746382 [0,1,0,1,0,0|0,0,0]=2 15009 B15R1.12171 CCCCCCCCOC[C@H](N)C1CC1 34a_100020623730_100000210759 [0,1,0,1,0,0|1,0,1]=4 15010 B15R1.12171 CCCCCCCCSCC(=O)C1CC1 62a_100000210759_100000746382 [0,1,0,1,0,0|0,1,0]=3 15011 B15R1.12171 CCCCCCCCSCC(=O)C1CC1 62a_100000746382_100000210317 [0,1,0,1,0,0|0,1,0]=3 15012 B15R1.12171 CCCCCCCNCOC(=O)C1CC1 2230a_100000229938_100000140896 [0,1,0,1,0,0|0,0,0]=2 15013 B15R1.12171 CCCCCCCOCOC(=O)C1CC1 34a_100000210272_100000140896 [0,1,0,1,0,0|0,0,0]=2 15014 B15R1.12171 CCCCCCCSCOC(=O)C1CC1 62a_100000140896_100000210316 [0,1,0,1,0,0|0,0,0]=2 15015 B15R1.12171 CCCCCCCSCOC(=O)C1CC1 62a_100000210614_100000140896 [0,1,0,1,0,0|0,0,0]=2 15016 B15R1.12171 CCCCCNCCOCC(=O)C1CC1 34a_100000224656_100000746382 [0,1,0,1,0,0|1,0,0]=3 15017 B15R1.12171 CCCCCOCCOCC(=O)C1CC1 34a_100011215259_100000746382 [0,1,0,1,0,0|1,0,0]=3 15018 B15R1.12171 CCCCCOCCOCC(=O)C1CC1 7a_100011215259_100000746382 [0,1,0,1,0,0|1,0,0]=3 15019 B15R1.12171 CCCCOCCCNCC(=O)C1CC1 2230a_200000211371_100000746382 [0,1,0,1,0,0|2,0,0]=4 15020 B15R1.12171 CCCCOCCCNCC(=O)C1CC1 34a_200000211371_100000746382 [0,1,0,1,0,0|2,0,0]=4 15021 B15R1.12171 CCCCOCCCOCC(=O)C1CC1 34a_200011215613_100000746382 [0,1,0,1,0,0|1,0,0]=3 15022 B15R1.12171 CCCCOCCCOCC(=O)C1CC1 7a_200011215613_100000746382 [0,1,0,1,0,0|1,0,0]=3 15023 B15R1.12171 CCCCOCCOCOC(=O)C1CC1 34a_100000210238_100000140896 [0,1,0,1,0,0|1,0,0]=3 15024 B15R1.12171 CCCCOCCSCOC(=O)C1CC1 62a_100000140896_100000743108 [0,1,0,1,0,0|1,0,0]=3 15025 B15R1.12171 CCCCOCCSCOC(=O)C1CC1 62a_100000743108_100000140896 [0,1,0,1,0,0|1,0,0]=3 15026 B15R1.12171 CCCCSCCNCOC(=O)C1CC1 2230a_100025743550_100000140896 [0,1,0,1,0,0|1,0,0]=3 15027 B15R1.12171 CCCCSCCOCOC(=O)C1CC1 34a_200000230436_100000140896 [0,1,0,1,0,0|1,0,0]=3 15028 B15R1.12171 CCCOCCCNCOC(=O)C1CC1 2230a_100011217757_100000140896 [0,1,0,1,0,0|1,0,0]=3 15029 B15R1.12171 CCCOCCCNCOC(=O)C1CC1 34a_100011217757_100000140896 [0,1,0,1,0,0|1,0,0]=3 15030 B15R1.12171 CCCOCCOCCNC(=O)C1CC1 11a_200011904461_100000210395 [0,1,0,1,0,0|2,0,0]=4 15031 B15R1.12171 CCCOCCOCCNC(=O)C1CC1 1626a_200011904461_100000210395 [0,1,0,1,0,0|2,0,0]=4 15032 B15R1.12171 CCCOCCOCCNC(=O)C1CC1 240690a_200011904461_100000210395 [0,1,0,1,0,0|2,0,0]=4 15033 B15R1.12171 CCOCCOCCOCC(=O)C1CC1 34a_100000210240_100000746382 [0,1,0,1,0,0|2,0,0]=4 15034 B15R1.12171 CCOCCOCCOCC(=O)C1CC1 34a_100000686663_100011211534 [0,1,0,1,0,0|2,0,0]=4 15035 B15R1.12171 CCOCCOCCOCC(=O)C1CC1 7a_100000210240_100000746382 [0,1,0,1,0,0|2,0,0]=4 15036 B15R1.12171 CNCCCCCOCOC(=O)C1CC1 34a_100000722520_100000140896 [0,1,0,1,0,0|1,0,0]=3 15037 B15R1.12171 CNCCOCCOCOC(=O)C1CC1 34a_100000228057_100000140896 [0,1,0,1,0,0|2,0,0]=4 15038 B15R1.12171 COCCCCCCOCC(=O)C1CC1 34a_100000686663_100011998445 [0,1,0,1,0,0|1,0,0]=3 15039 B15R1.12171 COCCCCCCOCC(=O)C1CC1 34a_200012092642_100000746382 [0,1,0,1,0,0|1,0,0]=3 15040 B15R1.12171 COCCCCCCOCC(=O)C1CC1 7a_200012092642_100000746382 [0,1,0,1,0,0|1,0,0]=3 15041 B15R1.12171 COCCCCCCSCC(=O)C1CC1 62a_100000746382_100011998445 [0,1,0,1,0,0|1,1,0]=4 15042 B15R1.12171 COCCCCCCSCC(=O)C1CC1 62a_100011998445_100000746382 [0,1,0,1,0,0|1,1,0]=4 15043 B15R1.12171 COCCCCCNCOC(=O)C1CC1 2230a_100000747528_100000140896 [0,1,0,1,0,0|1,0,0]=3 15044 B15R1.12171 COCCCCCNCOC(=O)C1CC1 34a_100000747528_100000140896 [0,1,0,1,0,0|1,0,0]=3 15045 B15R1.12171 COCCOCCCOCC(=O)C1CC1 34a_100000686663_100011216529 [0,1,0,1,0,0|2,0,0]=4 15046 B15R1.12171 COCCOCCNCOC(=O)C1CC1 2230a_100000745349_100000140896 [0,1,0,1,0,0|2,0,0]=4 15047 B15R1.12171 COCCOCCNCOC(=O)C1CC1 34a_100000745349_100000140896 [0,1,0,1,0,0|2,0,0]=4 15048 B15R1.12171 COCCOCCOCOC(=O)C1CC1 34a_100011215163_100000140896 [0,1,0,1,0,0|2,0,0]=4 15049 B15R1.12171 COCCOCCSCOC(=O)C1CC1 62a_100000140896_100000695917 [0,1,0,1,0,0|2,0,0]=4 15050 B15R1.12171 COCCOCCSCOC(=O)C1CC1 62a_100000695917_100000140896 [0,1,0,1,0,0|2,0,0]=4 15051 B15R1.12171 N#CCCCCCSCOC(=O)C1CC1 62a_100000140896_100009813376 [0,1,0,1,0,0|1,0,1]=4 15052 B15R1.12171 N#CCCCCCSCOC(=O)C1CC1 62a_100009813376_100000140896 [0,1,0,1,0,0|1,0,1]=4 15053 B15R1.12171 NCCCCCCCOCC(=O)C1CC1 34a_100011996573_100000746382 [0,1,0,1,0,0|1,0,0]=3 15054 B15R1.12171 NCCCCCCOCOC(=O)C1CC1 34a_100000686447_100000140896 [0,1,0,1,0,0|1,0,0]=3 15055 B15R1.12171 NCCCOCCCOCC(=O)C1CC1 34a_100011310245_100000746382 [0,1,0,1,0,0|2,0,0]=4 15056 B15R1.12171 O=C(CCCCCCCCCO)C1CC1 1458a_100000210395_100009813782 [0,1,0,1,0,0|1,0,0]=3 15057 B15R1.12171 O=C(CCCCCCCCCO)C1CO1 1458a_100000701028_100009813782 [0,1,0,1,0,0|2,0,0]=4 15058 B15R1.12171 O=C(CNCCCCCCCO)C1CC1 2230a_100011996573_100000746382 [0,1,0,1,0,0|2,0,0]=4 15059 B15R1.12171 O=C(CNCCCCCCCO)C1CC1 34a_100011996573_100000746382 [0,1,0,1,0,0|2,0,0]=4 15060 B15R1.12171 O=C(COCCCCCCCBr)C1CC1 34a_100000760002_100000746382 [0,1,0,1,0,0|1,0,0]=3 15061 B15R1.12171 O=C(COCCCCCCCBr)C1CC1 7a_100000760002_100000746382 [0,1,0,1,0,0|1,0,0]=3 15062 B15R1.12171 O=C(COCCCCCCCO)C1CC1 34a_100000686663_100000760002 [0,1,0,1,0,0|1,0,0]=3 15063 B15R1.12171 O=C(CSCCCCCCCO)C1CC1 62a_100000746382_100000760002 [0,1,0,1,0,0|1,1,0]=4 15064 B15R1.12171 O=C(CSCCCCCCCO)C1CC1 62a_100000760002_100000746382 [0,1,0,1,0,0|1,1,0]=4 15065 B15R1.12171 O=C(NCCCCCCCCO)C1CC1 240690a_102515433106_100000210395 [0,1,0,1,0,0|1,0,0]=3 15066 B15R1.12171 O=C(NCCCCCCCCO)C1CO1 240690a_102515433106_100000701028 [0,1,0,1,0,0|2,0,0]=4 15067 B15R1.12171 O=C(OCNCCCCCCO)C1CC1 2230a_100000686447_100000140896 [0,1,0,1,0,0|1,0,0]=3 15068 B15R1.12171 O=C(OCNCCCCCCO)C1CC1 34a_100000686447_100000140896 [0,1,0,1,0,0|1,0,0]=3 15069 B15R1.12171 O=C(OCOCCCCCCBr)C1CC1 34a_100011215345_100000140896 [0,1,0,1,0,0|1,0,0]=3 15070 B15R1.12171 O=C(OCOCCCCCCCl)C1CC1 34a_100000766143_100000140896 [0,1,0,1,0,0|1,0,0]=3 15071 B15R1.12171 O=C(OCOCCCCCCF)C1CC1 34a_100000732779_100000140896 [0,1,0,1,0,0|1,0,0]=3 15072 B15R1.12171 O=C(OCSCCCCCCF)C1CC1 62a_100000140896_100015922095 [0,1,0,1,0,0|1,0,0]=3 15073 B15R1.12171 O=C(OCSCCCCCCF)C1CC1 62a_100015922095_100000140896 [0,1,0,1,0,0|1,0,0]=3 15074 B15R1.12171 O=C(OCSCCCCCCO)C1CC1 62a_100000140896_100000766143 [0,1,0,1,0,0|1,0,0]=3 15075 B15R1.12171 O=C(OCSCCCCCCO)C1CC1 62a_100000766143_100000140896 [0,1,0,1,0,0|1,0,0]=3 15076 B15R1.12171 O=CCCCCCSCOC(=O)C1CC1 62a_100000139337_100000140896 [0,1,0,1,0,0|1,0,1]=4 15077 B15R1.12171 O=CCCCCCSCOC(=O)C1CC1 62a_100000140896_100000139337 [0,1,0,1,0,0|1,0,1]=4 15078 B15R1.21899 CC1(CCC1)OCCCCCCCCO 34a_100000759064_100000033203 [0,1,0,1,0,0|1,0,1]=4 15079 B15R1.21899 CC1(CCC1)OCCCCCCCCO 7a_100000759064_100000033203 [0,1,0,1,0,0|1,0,1]=4 15080 B15R1.21899 CCCCCCCCCOC1(CCC1)C 34a_100000759064_100011214924 [0,1,0,1,0,0|1,0,1]=4 15081 B15R1.21899 CCCCCCCCCOC1(CCC1)C 7a_100000759064_100000210328 [0,1,0,1,0,0|1,0,1]=4 15082 B15R1.21899 CCCCCCCCOCC1(CCC1)C 34a_100000210232_100000726658 [0,1,0,1,0,0|1,0,1]=4 15083 B15R1.21899 CCCCCCCCOCC1(CCC1)C 7a_100000210232_100000726658 [0,1,0,1,0,0|1,0,1]=4 15084 B15R1.119 CC(C)CCCCOC1CCCC(=O)C1 34a_100012613340_100011216152 [0,1,0,1,0,0|2,0,0]=4 15085 B15R1.119 CC(C)CCCOCC1CCCC(=O)N1 34a_200000102386_100011214892 [0,1,0,1,0,0|2,0,0]=4 15086 B15R1.119 CC(O)CCCOCC1CCCC(=O)N1 34a_200000102386_200000718107 [0,1,0,1,0,0|2,0,0]=4 15087 B15R1.255 CC(C)CCCCCNC1CCCC1=O 2230a_100011290863_100000211823 [0,1,0,1,0,0|2,0,0]=4 15088 B15R1.255 CC(C)CCCCCNC1CCCC1=O 34a_100011290863_100000709159 [0,1,0,1,0,0|2,0,0]=4 15089 B15R1.255 CC(C)CCCCCOC1CCCC1=O 34a_100011995859_100000709159 [0,1,0,1,0,0|2,0,0]=4 15090 B15R1.255 CC(C)CCCCCOC1CCCC1=O 34a_200000719330_100000210682 [0,1,0,1,0,0|2,0,0]=4 15091 B15R1.255 CC(C)CCCCCOC1CCCC1=O 7a_100011995859_100000211823 [0,1,0,1,0,0|2,0,0]=4 15092 B15R1.255 CC(C)CCCCCSC1CCCC1=O 62a_100000210682_100000211823 [0,1,0,1,0,0|2,0,0]=4 15093 B15R1.255 CC(C)CCCCCSC1CCCC1=O 62a_100000211823_100000210682 [0,1,0,1,0,0|2,0,0]=4 15094 B15R1.255 CC(C)CCCCSCN1CCCC1=O 62a_100000026320_100011216152 [0,1,0,1,0,0|2,0,0]=4 15095 B15R1.255 CC(C)CCCCSCN1CCCC1=O 62a_100011216152_100000026320 [0,1,0,1,0,0|2,0,0]=4 15096 B15R1.255 CC(C)CCCNCCN1CCCC1=O 2230a_100011200922_100011214892 [0,1,0,1,0,0|2,0,0]=4 15097 B15R1.255 CC(C)CCCNCCN1CCCC1=O 2230a_200000737386_100000739059 [0,1,0,1,0,0|2,0,0]=4 15098 B15R1.255 CC(C)CCCNCCN1CCCC1=O 34a_200000737386_100000739059 [0,1,0,1,0,0|2,0,0]=4 15099 B15R1.255 CC(C)CCCOCCN1CCCC1=O 34a_100000210774_100000739059 [0,1,0,1,0,0|2,0,0]=4 15100 B15R1.255 CC(C)CCCOCCN1CCCC1=O 34a_100000211209_100011214892 [0,1,0,1,0,0|2,0,0]=4 15101 B15R1.255 CC(C)CCCOCCN1CCCC1=O 7a_100000210774_100000739059 [0,1,0,1,0,0|2,0,0]=4 15102 B15R1.255 CC(C)CCCOCCN1CCCC1=O 7a_100000211209_100011214892 [0,1,0,1,0,0|2,0,0]=4 15103 B15R1.255 CC(C)CCCSCCN1CCCC1=O 62a_100000739059_100011214892 [0,1,0,1,0,0|2,0,0]=4 15104 B15R1.255 CC(C)CCCSCCN1CCCC1=O 62a_100011214892_100000739059 [0,1,0,1,0,0|2,0,0]=4 15105 B15R1.255 CC(C)CCNCCCN1CCCC1=O 2230a_100000210347_100000210312 [0,1,0,1,0,0|2,0,0]=4 15106 B15R1.255 CC(C)CCNCCCN1CCCC1=O 269862a_100000210347_100000185833 [0,1,0,1,0,0|2,0,0]=4 15107 B15R1.255 CC(C)CCNCCCN1CCCC1=O 34a_100000210347_100000210312 [0,1,0,1,0,0|2,0,0]=4 15108 B15R1.255 CC(C)CCOCCCN1CCCC1=O 34a_100011216539_100000210312 [0,1,0,1,0,0|2,0,0]=4 15109 B15R1.255 CC(C)CCOCCCN1CCCC1=O 7a_100011216539_100000210626 [0,1,0,1,0,0|2,0,0]=4 15110 B15R1.255 CC(O)CCCNCCN1CCCC1=O 2230a_100011200922_200000718107 [0,1,0,1,0,0|2,0,0]=4 15111 B15R1.255 CC(O)CCCOCCN1CCCC1=O 34a_100000211209_200000718107 [0,1,0,1,0,0|2,0,0]=4 15112 B15R1.255 CC(O)CCCOCCN1CCCC1=O 7a_100000211209_200000718107 [0,1,0,1,0,0|2,0,0]=4 15113 B15R1.255 CC(O)CCCSCCN1CCCC1=O 62a_100000739059_200000718107 [0,1,0,1,0,0|2,0,0]=4 15114 B15R1.255 CC(O)CCCSCCN1CCCC1=O 62a_200000718107_100000739059 [0,1,0,1,0,0|2,0,0]=4 15115 B15R1.255 CC(O)CCNCCCN1CCCC1=O 2230a_100000210347_100012276601 [0,1,0,1,0,0|2,0,0]=4 15116 B15R1.255 CC(O)CCNCCCN1CCCC1=O 34a_100000210347_100012276601 [0,1,0,1,0,0|2,0,0]=4 15117 B15R1.255 CC(O)CCOCCCN1CCCC1=O 34a_100011216539_100012276601 [0,1,0,1,0,0|2,0,0]=4 15118 B15R1.255 CC(O)CCOCCCN1CCCC1=O 7a_100011216539_100012276601 [0,1,0,1,0,0|2,0,0]=4 15119 B15R1.810 CCCC(=O)N1CCCCC1CN(C)C 11a_100000746231_100000211992 [0,1,0,1,0,0|2,0,0]=4 15120 B15R1.810 CCCC(=O)N1CCCCC1CN(C)C 240690a_100000746231_100000211992 [0,1,0,1,0,0|2,0,0]=4 15121 B15R1.810 CCCC(=O)N1CCCCC1CN(C)C 527a_100000746231_100000211992 [0,1,0,1,0,0|2,0,0]=4 15122 B15R1.810 CCCC(=O)N1CCOCC1CC(C)C 11a_100000755734_100000211992 [0,1,0,1,0,0|2,0,0]=4 15123 B15R1.810 CCCC(=O)N1CCOCC1CC(C)C 1626a_100000755734_100000211992 [0,1,0,1,0,0|2,0,0]=4 15124 B15R1.810 CCCC(=O)N1CCOCC1CC(C)C 240690a_100000755734_100000211992 [0,1,0,1,0,0|2,0,0]=4 15125 B15R1.810 CCCC(=O)N1CCOCC1CC(C)C 527a_100000755734_100000211992 [0,1,0,1,0,0|2,0,0]=4 15126 B15R1.1274 CCCC(=O)CN1CCCCC1C(C)C 2230a_100000757267_100000747444 [0,1,0,1,0,0|2,0,0]=4 15127 B15R1.1274 CCCC(=O)CN1CCCCC1C(C)C 269982a_100000757267_100000747444 [0,1,0,1,0,0|2,0,0]=4 15128 B15R1.1274 CCCC(=O)N[C@@H]1CCCC[C@H]1N(C)C 11a_100009817265_100000211992 [0,1,0,1,0,0|2,0,0]=4 15129 B15R1.1274 CCCC(=O)N[C@@H]1CCCC[C@H]1N(C)C 240690a_100009817265_100000211992 [0,1,0,1,0,0|2,0,0]=4 15130 B15R1.1274 CCCC(=O)N[C@@H]1CCCC[C@H]1N(C)C 527a_100009817265_100000211992 [0,1,0,1,0,0|2,0,0]=4 15131 B15R1.1274 CCCC(C)OC1CCCCC1C(C)C 34a_100011709184_100000766640 [0,1,0,1,0,0|1,0,1]=4 15132 B15R1.1274 CCCC(C)OC1CCCCC1C(C)C 7a_100011709184_100000766640 [0,1,0,1,0,0|1,0,1]=4 15133 B15R1.1280 CCCC(=O)CN1CCCC1CC(C)C 2230a_100000748429_100000747444 [0,1,0,1,0,0|2,0,0]=4 15134 B15R1.1280 CCCC(=O)CN1CCCC1CC(C)C 269982a_100000748429_100000747444 [0,1,0,1,0,0|2,0,0]=4 15135 B15R1.3866 CCCC(=O)OCN1CCOCC1(C)C 2230a_100000724681_100000034017 [0,1,0,1,0,0|2,0,0]=4 15136 B15R1.3866 CCCC(=O)OCN1CCOCC1(C)C 269982a_100000724681_100000034017 [0,1,0,1,0,0|2,0,0]=4 15137 B15R1.3866 CCCC(=O)OCN1CCOCC1(C)C 34a_100000724681_100000034017 [0,1,0,1,0,0|2,0,0]=4 15138 B15R1.3867 CCCC(=O)OCN1CCCC1C(C)C 2230a_100000762757_100000034017 [0,1,0,1,0,0|1,0,0]=3 15139 B15R1.3867 CCCC(=O)OCN1CCCC1C(C)C 269982a_100000762757_100000034017 [0,1,0,1,0,0|1,0,0]=3 15140 B15R1.3867 CCCC(=O)OCN1CCCC1C(C)C 34a_100000762757_100000034017 [0,1,0,1,0,0|1,0,0]=3 15141 B15R1.4802 CCC1C(=O)NCCN1CCCC(C)C 2230a_100000187962_100011214892 [0,1,0,1,0,0|2,0,0]=4 15142 B15R1.4802 CCC1C(=O)NCCN1CCCC(C)C 269982a_100000187962_100011214892 [0,1,0,1,0,0|2,0,0]=4 15143 B15R1.4802 CCC1C(=O)NCCN1CCCC(C)C 34a_100000187962_100011214892 [0,1,0,1,0,0|2,0,0]=4 15144 B15R1.4802 CCC1C(=O)NCCN1CCCC(C)O 2230a_100000187962_200000718107 [0,1,0,1,0,0|2,0,0]=4 15145 B15R1.4802 CCC1C(=O)NCCN1CCCC(C)O 269982a_100000187962_200000718107 [0,1,0,1,0,0|2,0,0]=4 15146 B15R1.4802 CCC1C(=O)NCCN1CCCC(C)O 34a_100000187962_200000718107 [0,1,0,1,0,0|2,0,0]=4 15147 B15R1.9904 CCCC(=O)NCCN1CCCC1(C)C 1626a_100015204988_100000211992 [0,1,0,1,0,0|2,0,0]=4 15148 B15R1.9904 CCCC(=O)NCCN1CCCC1(C)C 240690a_100015204988_100000211992 [0,1,0,1,0,0|2,0,0]=4 15149 B15R1.9904 CCCC(=O)NCCN1CCCC1(C)C 527a_100015204988_100000211992 [0,1,0,1,0,0|2,0,0]=4 15150 B15R1.9904 CCCC(=O)OCNC1CCCC1(F)F 2230a_100000767123_100000034017 [0,1,0,1,0,0|2,0,0]=4 15151 B15R1.9904 CCCC(=O)OCNC1CCCC1(F)F 34a_100000767123_100000034017 [0,1,0,1,0,0|2,0,0]=4 15152 B15R1.9904 CCCC(=O)OCN[C@@H]1CCC[C@@]1(C)O 2230a_100015977457_100000034017 [0,1,0,1,0,0|1,0,0]=3 15153 B15R1.9904 CCCC(=O)OCN[C@@H]1CCC[C@@]1(C)O 34a_100015977457_100000034017 [0,1,0,1,0,0|1,0,0]=3 15154 B15R1.9904 CCCC(=O)OCOC1CCCC1(C)C 34a_100000726220_100000034017 [0,1,0,1,0,0|1,0,0]=3 15155 B15R1.9904 CCCC(=O)OCSC1CCCC1(F)F 62a_100119073726_100000034017 [0,1,0,1,0,0|2,0,0]=4 15156 B15R1.10426 CCCC(=O)OCOCCC1CC1(F)F 34a_100009864177_100000034017 [0,1,0,1,0,0|2,0,0]=4 15157 B15R1.10579 CC(C)C1CCCCCN1C(=O)CCO 240690a_100000697956_100011216618 [0,1,0,1,0,0|2,0,0]=4 15158 B15R1.10579 CCCC(=O)N1CCCCCC1C(C)C 11a_100000697956_100000211992 [0,1,0,1,0,0|1,0,0]=3 15159 B15R1.10579 CCCC(=O)N1CCCCCC1C(C)C 1626a_100000697956_100000211992 [0,1,0,1,0,0|1,0,0]=3 15160 B15R1.10579 CCCC(=O)N1CCCCCC1C(C)C 240690a_100000697956_100000211992 [0,1,0,1,0,0|1,0,0]=3 15161 B15R1.10579 CCNC(=O)N1CCCCCC1C(C)C 2708a_100015525214_100000697956 [0,1,0,1,0,0|2,0,0]=4 15162 B15R1.10579 CCNC(=O)N1CCCCCC1C(C)C 273464a_100015525214_100000697956 [0,1,0,1,0,0|2,0,0]=4 15163 B15R1.10579 COCC(=O)N1CCCCCC1C(C)C 11a_100000697956_100000210968 [0,1,0,1,0,0|2,0,0]=4 15164 B15R1.10579 COCC(=O)N1CCCCCC1C(C)C 1626a_100000697956_100000210968 [0,1,0,1,0,0|2,0,0]=4 15165 B15R1.10579 COCC(=O)N1CCCCCC1C(C)C 240690a_100000697956_100000210968 [0,1,0,1,0,0|2,0,0]=4 15166 B15R1.10579 CSCC(=O)N1CCCCCC1C(C)C 11a_100000697956_100000184570 [0,1,0,1,0,0|2,0,0]=4 15167 B15R1.10579 CSCC(=O)N1CCCCCC1C(C)C 1626a_100000697956_100000184570 [0,1,0,1,0,0|2,0,0]=4 15168 B15R1.10579 CSCC(=O)N1CCCCCC1C(C)C 240690a_100000697956_100000184570 [0,1,0,1,0,0|2,0,0]=4 15169 B15R1.12289 CC(=O)CCCCSCOC(=O)C1CC1 62a_100000140896_100000735457 [0,1,0,1,0,0|1,0,1]=4 15170 B15R1.12289 CC(=O)CCCCSCOC(=O)C1CC1 62a_100000735457_100000140896 [0,1,0,1,0,0|1,0,1]=4 15171 B15R1.12289 CC(C)CCCCCCNC(=O)C1CC1 11a_100000211014_100000210395 [0,1,0,1,0,0|1,0,0]=3 15172 B15R1.12289 CC(C)CCCCCCNC(=O)C1CC1 1626a_100000211014_100000210395 [0,1,0,1,0,0|1,0,0]=3 15173 B15R1.12289 CC(C)CCCCCCNC(=O)C1CC1 240690a_100000211014_100000210395 [0,1,0,1,0,0|1,0,0]=3 15174 B15R1.12289 CC(C)CCCCCCNC(=O)C1CC1 527a_100000211014_100000210395 [0,1,0,1,0,0|1,0,0]=3 15175 B15R1.12289 CC(C)CCCCCCNC(=O)C1CO1 11a_100000211014_100000701028 [0,1,0,1,0,0|2,0,0]=4 15176 B15R1.12289 CC(C)CCCCCCNC(=O)C1CO1 1626a_100000211014_100000701028 [0,1,0,1,0,0|2,0,0]=4 15177 B15R1.12289 CC(C)CCCCCCNC(=O)C1CO1 240690a_100000211014_100000701028 [0,1,0,1,0,0|2,0,0]=4 15178 B15R1.12289 CC(C)CCCCCCNC(=O)C1CO1 527a_100000211014_100000701028 [0,1,0,1,0,0|2,0,0]=4 15179 B15R1.12289 CC(C)CCCCCNCC(=O)C1CC1 2230a_100011290863_100000746382 [0,1,0,1,0,0|2,0,0]=4 15180 B15R1.12289 CC(C)CCCCCNCC(=O)C1CC1 34a_100011290863_100000746382 [0,1,0,1,0,0|2,0,0]=4 15181 B15R1.12289 CC(C)CCCCCOCC(=O)C1CC1 34a_100000686663_100000210682 [0,1,0,1,0,0|2,0,0]=4 15182 B15R1.12289 CC(C)CCCCCOCC(=O)C1CC1 34a_100011995859_100000746382 [0,1,0,1,0,0|2,0,0]=4 15183 B15R1.12289 CC(C)CCCCCOCC(=O)C1CC1 7a_100011995859_100000746382 [0,1,0,1,0,0|2,0,0]=4 15184 B15R1.12289 CC(C)CCCCCSCC(=O)C1CC1 62a_100000210682_100000746382 [0,1,0,1,0,0|2,0,0]=4 15185 B15R1.12289 CC(C)CCCCCSCC(=O)C1CC1 62a_100000746382_100000210682 [0,1,0,1,0,0|2,0,0]=4 15186 B15R1.12289 CC(C)CCCCOCOC(=O)C1CC1 34a_100011214890_100000140896 [0,1,0,1,0,0|1,0,0]=3 15187 B15R1.12289 CC(C)CCCCSCOC(=O)C1CC1 62a_100000140896_100011216152 [0,1,0,1,0,0|1,0,0]=3 15188 B15R1.12289 CC(C)CCCCSCOC(=O)C1CC1 62a_100011216152_100000140896 [0,1,0,1,0,0|1,0,0]=3 15189 B15R1.12289 CC(C)CNCCOCOC(=O)C1CC1 34a_100015185251_100000140896 [0,1,0,1,0,0|2,0,0]=4 15190 B15R1.12289 CC(C)COCCOCOC(=O)C1CC1 34a_100000703358_100000140896 [0,1,0,1,0,0|2,0,0]=4 15191 B15R1.12289 CC(C)CSCCOCOC(=O)C1CC1 34a_200000230437_100000140896 [0,1,0,1,0,0|2,0,0]=4 15192 B15R1.12289 CC(C)NCCCOCOC(=O)C1CC1 34a_100000182298_100000140896 [0,1,0,1,0,0|2,0,0]=4 15193 B15R1.12289 CC(C)OCCCNCOC(=O)C1CC1 2230a_100000737246_100000140896 [0,1,0,1,0,0|2,0,0]=4 15194 B15R1.12289 CC(C)OCCCNCOC(=O)C1CC1 34a_100000737246_100000140896 [0,1,0,1,0,0|2,0,0]=4 15195 B15R1.12289 CN(C)CCCCCCNC(=O)C1CC1 240690a_200011233508_100000210395 [0,1,0,1,0,0|2,0,0]=4 15196 B15R1.12289 CN(C)CCCCSCOC(=O)C1CC1 62a_100000140896_100000690147 [0,1,0,1,0,0|2,0,0]=4 15197 B15R1.157 C#CCCC(=O)CCCC1CCCCC1 1458a_100000211478_100000753159 [0,1,0,1,0,0|1,0,1]=4 15198 B15R1.157 C#CCCC(=O)CCCC1CCCCC1 1458a_100000692101_100011713725 [0,1,0,1,0,0|1,0,1]=4 15199 B15R1.157 C#CCCC(=O)NCCC1CCCCC1 11a_100000738074_100000692101 [0,1,0,1,0,0|1,0,1]=4 15200 B15R1.157 C#CCCC(=O)NCCC1CCCCC1 1626a_100000738074_100000692101 [0,1,0,1,0,0|1,0,1]=4 15201 B15R1.157 C#CCCC(=O)NCCC1CCCCC1 240690a_100000738074_100000692101 [0,1,0,1,0,0|1,0,1]=4 15202 B15R1.157 C#CCCC(=O)NCCC1CCCCC1 527a_100000738074_100000692101 [0,1,0,1,0,0|1,0,1]=4 15203 B15R1.157 C/C=C/CC(=O)CCCC1CCCCC1 1458a_100000211478_100102629194 [0,1,0,1,0,0|1,0,1]=4 15204 B15R1.157 C=CCCC(=O)CCCC1CCCCC1 1458a_100000211478_100000754431 [0,1,0,1,0,0|1,0,1]=4 15205 B15R1.157 C=CCCC(=O)CCCC1CCCCC1 1458a_100000749702_100011713725 [0,1,0,1,0,0|1,0,1]=4 15206 B15R1.157 C=CCCC(=O)NCCC1CCCCC1 11a_100000738074_100000749702 [0,1,0,1,0,0|1,0,1]=4 15207 B15R1.157 C=CCCC(=O)NCCC1CCCCC1 1626a_100000738074_100000749702 [0,1,0,1,0,0|1,0,1]=4 15208 B15R1.157 C=CCCC(=O)NCCC1CCCCC1 240690a_100000738074_100000749702 [0,1,0,1,0,0|1,0,1]=4 15209 B15R1.157 C=CCCC(=O)NCCC1CCCCC1 527a_100000738074_100000749702 [0,1,0,1,0,0|1,0,1]=4 15210 B15R1.157 CC#CCC(=O)CCCC1CCCCC1 1458a_100000211478_100000748600 [0,1,0,1,0,0|1,0,1]=4 15211 B15R1.157 CC(CCCCl)OCCC1CCCCC1 34a_200000718107_100011209188 [0,1,0,1,0,0|1,0,1]=4 15212 B15R1.157 CC(CCCCl)OCCC1CCCCC1 7a_200000718107_100011273959 [0,1,0,1,0,0|1,0,1]=4 15213 B15R1.157 CC=CCC(=O)CCCC1CCCCC1 1458a_100000211478_100000070051 [0,1,0,1,0,0|1,0,1]=4 15214 B15R1.157 CC=CCC(=O)CCCC1CCCCC1 1458a_100121576822_100011713725 [0,1,0,1,0,0|1,0,1]=4 15215 B15R1.157 CC=CCC(=O)NCCC1CCCCC1 11a_100000738074_100121576822 [0,1,0,1,0,0|1,0,1]=4 15216 B15R1.157 CC=CCC(=O)NCCC1CCCCC1 1626a_100000738074_100121576822 [0,1,0,1,0,0|1,0,1]=4 15217 B15R1.157 CC=CCC(=O)NCCC1CCCCC1 240690a_100000738074_100121576822 [0,1,0,1,0,0|1,0,1]=4 15218 B15R1.157 CC=CCC(=O)NCCC1CCCCC1 527a_100000738074_100121576822 [0,1,0,1,0,0|1,0,1]=4 15219 B15R1.157 CCC#CC(=O)CCCC1CCCCC1 1458a_100011827653_100011713725 [0,1,0,1,0,0|1,0,1]=4 15220 B15R1.157 CCC=CC(=O)CCCC1CCCCC1 1458a_100000212282_100011713725 [0,1,0,1,0,0|1,0,1]=4 15221 B15R1.157 CCC=CC(=O)NCCC1CCCCC1 11a_100000738074_100000212282 [0,1,0,1,0,0|1,0,1]=4 15222 B15R1.157 CCC=CC(=O)NCCC1CCCCC1 1626a_100000738074_100000212282 [0,1,0,1,0,0|1,0,1]=4 15223 B15R1.157 CCC=CC(=O)NCCC1CCCCC1 240690a_100000738074_100000212282 [0,1,0,1,0,0|1,0,1]=4 15224 B15R1.157 CCCCC(=O)CCCC1CCCCC1 1458a_100000210183_100011713725 [0,1,0,1,0,0|1,0,0]=3 15225 B15R1.157 CCCCC(=O)CCCC1CCCCC1 1458a_100000211478_100000210211 [0,1,0,1,0,0|1,0,0]=3 15226 B15R1.157 CCCCC(=O)CCCN1CCCCC1 1458a_100000210183_100000690320 [0,1,0,1,0,0|2,0,0]=4 15227 B15R1.157 CCCCC(=O)CCCN1CCCCC1 1458a_100000742516_100000210211 [0,1,0,1,0,0|2,0,0]=4 15228 B15R1.157 CCCCC(=O)CCOC1CCCCC1 1458a_100000210183_100011211530 [0,1,0,1,0,0|2,0,0]=4 15229 B15R1.157 CCCCC(=O)NCCC1CCCCC1 11a_100000738074_100000210183 [0,1,0,1,0,0|1,0,0]=3 15230 B15R1.157 CCCCC(=O)NCCC1CCCCC1 1626a_100000738074_100000210183 [0,1,0,1,0,0|1,0,0]=3 15231 B15R1.157 CCCCC(=O)NCCC1CCCCC1 240690a_100000738074_100000210183 [0,1,0,1,0,0|1,0,0]=3 15232 B15R1.157 CCCCC(=O)NCCC1CCCCC1 527a_100000738074_100000210183 [0,1,0,1,0,0|1,0,0]=3 15233 B15R1.157 CCCCC(=O)NCCC1CCCCO1 11a_100015183643_100000210183 [0,1,0,1,0,0|2,0,0]=4 15234 B15R1.157 CCCCC(=O)NCCC1CCCCO1 1626a_100015183643_100000210183 [0,1,0,1,0,0|2,0,0]=4 15235 B15R1.157 CCCCC(=O)NCCC1CCCCO1 240690a_100015183643_100000210183 [0,1,0,1,0,0|2,0,0]=4 15236 B15R1.157 CCCCC(=O)NCCC1CCCCO1 527a_100015183643_100000210183 [0,1,0,1,0,0|2,0,0]=4 15237 B15R1.157 CCCCC(=O)NCCC1CCOCC1 11a_100000755988_100000210183 [0,1,0,1,0,0|2,0,0]=4 15238 B15R1.157 CCCCC(=O)NCCC1CCOCC1 1626a_100000755988_100000210183 [0,1,0,1,0,0|2,0,0]=4 15239 B15R1.157 CCCCC(=O)NCCC1CCOCC1 240690a_100000755988_100000210183 [0,1,0,1,0,0|2,0,0]=4 15240 B15R1.157 CCCCC(=O)NCCC1CCOCC1 527a_100000755988_100000210183 [0,1,0,1,0,0|2,0,0]=4 15241 B15R1.157 CCCCC(=O)NCCN1CCCCC1 240690a_100000216509_100000210183 [0,1,0,1,0,0|2,0,0]=4 15242 B15R1.157 CCCCC(=O)NCCN1CCCCC1 527a_100000216509_100000210183 [0,1,0,1,0,0|2,0,0]=4 15243 B15R1.157 CCCCC(=O)NNCC1CCCCC1 22a_100000740227_100000210183 [0,1,0,1,0,0|2,0,0]=4 15244 B15R1.157 CCCCC(C)OCCC1CCCCC1 34a_100000687866_100011209188 [0,1,0,1,0,0|1,0,1]=4 15245 B15R1.157 CCCCC(C)OCCC1CCCCC1 34a_100011217863_200011215066 [0,1,0,1,0,0|1,0,1]=4 15246 B15R1.157 CCCCC(C)OCCC1CCCCC1 7a_100000687866_100011273959 [0,1,0,1,0,0|1,0,1]=4 15247 B15R1.157 CCCCC(C)OCCC1CCCCC1 7a_100011217863_200011215066 [0,1,0,1,0,0|1,0,1]=4 15248 B15R1.157 CCCNC(=O)CCCC1CCCCC1 11a_100020643023_100000211478 [0,1,0,1,0,0|1,0,0]=3 15249 B15R1.157 CCCNC(=O)CCCC1CCCCC1 1626a_100020643023_100000211478 [0,1,0,1,0,0|1,0,0]=3 15250 B15R1.157 CCCNC(=O)CCCC1CCCCC1 240690a_100020643023_100000211478 [0,1,0,1,0,0|1,0,0]=3 15251 B15R1.157 CCCNC(=O)CCCC1CCCCC1 527a_100020643023_100000211478 [0,1,0,1,0,0|1,0,0]=3 15252 B15R1.157 CCCNC(=O)CCCN1CCCCC1 240690a_100020643023_100000742516 [0,1,0,1,0,0|2,0,0]=4 15253 B15R1.157 CCCNC(=O)CNCC1CCCCC1 2230a_100000174927_100000211423 [0,1,0,1,0,0|2,0,0]=4 15254 B15R1.157 CCCNC(=O)CNCC1CCCCC1 2230a_100000210473_100000183358 [0,1,0,1,0,0|2,0,0]=4 15255 B15R1.157 CCCNC(=O)CNCC1CCCCC1 269862a_100000174927_100000211278 [0,1,0,1,0,0|2,0,0]=4 15256 B15R1.157 CCCNC(=O)CNCC1CCCCC1 34a_100000210473_100000183358 [0,1,0,1,0,0|2,0,0]=4 15257 B15R1.157 CCCNC(=O)COCC1CCCCC1 34a_100000212181_100000183358 [0,1,0,1,0,0|2,0,0]=4 15258 B15R1.157 CCCNC(=O)COCC1CCCCC1 7a_100000212181_100000183358 [0,1,0,1,0,0|2,0,0]=4 15259 B15R1.157 CCCNC(=O)CSCC1CCCCC1 62a_100000183358_100000211423 [0,1,0,1,0,0|2,0,0]=4 15260 B15R1.157 CCCNC(=O)CSCC1CCCCC1 62a_100000211423_100000183358 [0,1,0,1,0,0|2,0,0]=4 15261 B15R1.157 CCCNC(=O)NCCC1CCCCC1 2708a_100000738074_100020643023 [0,1,0,1,0,0|1,0,0]=3 15262 B15R1.157 CCCNC(=O)NCCC1CCCCC1 2708a_100020643023_100000738074 [0,1,0,1,0,0|1,0,0]=3 15263 B15R1.157 CCCNC(=O)NCCC1CCCCC1 273464a_100000738074_100020643023 [0,1,0,1,0,0|1,0,0]=3 15264 B15R1.157 CCCNC(=O)NCCC1CCCCC1 273464a_100020643023_100000738074 [0,1,0,1,0,0|1,0,0]=3 15265 B15R1.157 CCCNC(=O)NCCC1CCCCC1 512a_100000738074_100020643023 [0,1,0,1,0,0|1,0,0]=3 15266 B15R1.157 CCCNC(=O)NCCC1CCCCC1 512a_100020643023_100000738074 [0,1,0,1,0,0|1,0,0]=3 15267 B15R1.157 CCCNC(=O)NCCC1CCCCO1 2708a_100015183643_100020643023 [0,1,0,1,0,0|2,0,0]=4 15268 B15R1.157 CCCNC(=O)NCCC1CCCCO1 2708a_100020643023_100015183643 [0,1,0,1,0,0|2,0,0]=4 15269 B15R1.157 CCCNC(=O)NCCC1CCCCO1 273464a_100015183643_100020643023 [0,1,0,1,0,0|2,0,0]=4 15270 B15R1.157 CCCNC(=O)NCCC1CCCCO1 273464a_100020643023_100015183643 [0,1,0,1,0,0|2,0,0]=4 15271 B15R1.157 CCCNC(=O)NCCC1CCCCO1 512a_100015183643_100020643023 [0,1,0,1,0,0|2,0,0]=4 15272 B15R1.157 CCCNC(=O)NCCC1CCCCO1 512a_100020643023_100015183643 [0,1,0,1,0,0|2,0,0]=4 15273 B15R1.157 CCCNC(=O)NCCC1CCOCC1 2708a_100000755988_100020643023 [0,1,0,1,0,0|2,0,0]=4 15274 B15R1.157 CCCNC(=O)NCCC1CCOCC1 2708a_100020643023_100000755988 [0,1,0,1,0,0|2,0,0]=4 15275 B15R1.157 CCCNC(=O)NCCC1CCOCC1 273464a_100000755988_100020643023 [0,1,0,1,0,0|2,0,0]=4 15276 B15R1.157 CCCNC(=O)NCCC1CCOCC1 273464a_100020643023_100000755988 [0,1,0,1,0,0|2,0,0]=4 15277 B15R1.157 CCCNC(=O)NCCC1CCOCC1 512a_100000755988_100020643023 [0,1,0,1,0,0|2,0,0]=4 15278 B15R1.157 CCCNC(=O)NCCC1CCOCC1 512a_100020643023_100000755988 [0,1,0,1,0,0|2,0,0]=4 15279 B15R1.157 CCCNC(=O)NCCN1CCCCC1 2708a_100020643023_100000216509 [0,1,0,1,0,0|2,0,0]=4 15280 B15R1.157 CCCNC(=O)NCCN1CCCCC1 273464a_100000216509_100020643023 [0,1,0,1,0,0|2,0,0]=4 15281 B15R1.157 CCCNC(=O)NCCN1CCCCC1 273464a_100020643023_100000216509 [0,1,0,1,0,0|2,0,0]=4 15282 B15R1.157 CCCNC(=O)NNCC1CCCCC1 273464a_100020643023_100000740227 [0,1,0,1,0,0|2,0,0]=4 15283 B15R1.157 CCCNC(=O)NNCC1CCCCC1 512a_100020643023_100000740227 [0,1,0,1,0,0|2,0,0]=4 15284 B15R1.157 CCCOC(=O)CNCC1CCCCC1 2230a_100000210473_200011215008 [0,1,0,1,0,0|2,0,0]=4 15285 B15R1.157 CCCOC(=O)CNCC1CCCCC1 34a_100000210473_200011215008 [0,1,0,1,0,0|2,0,0]=4 15286 B15R1.157 CCCOC(=O)COCC1CCCCC1 34a_100000212181_200011215008 [0,1,0,1,0,0|2,0,0]=4 15287 B15R1.157 CCCOC(=O)COCC1CCCCC1 7a_100000212181_200011215008 [0,1,0,1,0,0|2,0,0]=4 15288 B15R1.157 CCCOC(=O)CSCC1CCCCC1 62a_100000211423_200011215008 [0,1,0,1,0,0|2,0,0]=4 15289 B15R1.157 CCCOC(=O)CSCC1CCCCC1 62a_200011215008_100000211423 [0,1,0,1,0,0|2,0,0]=4 15290 B15R1.157 CCCOC(=O)OCNC1CCCCC1 34a_100000182618_200000139673 [0,1,0,1,0,0|1,0,0]=3 15291 B15R1.157 CCCOC(=O)OCNC1CCCOC1 34a_100000719290_200000139673 [0,1,0,1,0,0|2,0,0]=4 15292 B15R1.157 CCCOC(=O)OCNC1CCOCC1 34a_100000741149_200000139673 [0,1,0,1,0,0|2,0,0]=4 15293 B15R1.157 CCCOC(=O)OCNC1CCSCC1 34a_100000748639_200000139673 [0,1,0,1,0,0|2,0,0]=4 15294 B15R1.157 CCCOC(=O)OCOC1CCCCC1 34a_100000210231_200000139673 [0,1,0,1,0,0|1,0,0]=3 15295 B15R1.157 CCCOC(=O)OCOC1CCCCC1 7a_100000210231_200000139673 [0,1,0,1,0,0|1,0,0]=3 15296 B15R1.157 CCCOC(=O)OCOC1CCCCO1 34a_100000033831_200000139673 [0,1,0,1,0,0|2,0,0]=4 15297 B15R1.157 CCCOC(=O)OCOC1CCCOC1 34a_100000754041_200000139673 [0,1,0,1,0,0|2,0,0]=4 15298 B15R1.157 CCCOC(=O)OCOC1CCCSC1 7a_100015962668_200000139673 [0,1,0,1,0,0|2,0,0]=4 15299 B15R1.157 CCCOC(=O)OCOC1CCOCC1 34a_100000744328_200000139673 [0,1,0,1,0,0|2,0,0]=4 15300 B15R1.157 CCCOC(=O)OCOC1CCSCC1 34a_100000731022_200000139673 [0,1,0,1,0,0|2,0,0]=4 15301 B15R1.157 CCCOC(=O)OCOC1CCSCC1 7a_100000731022_200000139673 [0,1,0,1,0,0|2,0,0]=4 15302 B15R1.157 CCCOC(=O)OCSC1CCCCC1 62a_100000210327_200000139673 [0,1,0,1,0,0|1,0,0]=3 15303 B15R1.157 CCNNC(=O)CCCC1CCCCC1 22a_100000756455_100000211478 [0,1,0,1,0,0|2,0,0]=4 15304 B15R1.157 CCNNC(=O)NCCC1CCCCC1 273464a_100000738074_100000756455 [0,1,0,1,0,0|2,0,0]=4 15305 B15R1.157 CCNNC(=O)NCCC1CCCCC1 512a_100000738074_100000756455 [0,1,0,1,0,0|2,0,0]=4 15306 B15R1.157 CCNNC(=O)NCCC1CCCCC1 512a_100000756455_100000738074 [0,1,0,1,0,0|2,0,0]=4 15307 B15R1.157 CCOCC(=O)CCCC1CCCCC1 1458a_100000211967_100011713725 [0,1,0,1,0,0|1,0,0]=3 15308 B15R1.157 CCOCC(=O)CCCN1CCCCC1 1458a_100000211967_100000690320 [0,1,0,1,0,0|2,0,0]=4 15309 B15R1.157 CCOCC(=O)CCOC1CCCCC1 1458a_100000211967_100011211530 [0,1,0,1,0,0|2,0,0]=4 15310 B15R1.157 CCOCC(=O)NCCC1CCCCC1 11a_100000738074_100000211967 [0,1,0,1,0,0|1,0,0]=3 15311 B15R1.157 CCOCC(=O)NCCC1CCCCC1 1626a_100000738074_100000211967 [0,1,0,1,0,0|1,0,0]=3 15312 B15R1.157 CCOCC(=O)NCCC1CCCCC1 240690a_100000738074_100000211967 [0,1,0,1,0,0|1,0,0]=3 15313 B15R1.157 CCOCC(=O)NCCC1CCCCC1 527a_100000738074_100000211967 [0,1,0,1,0,0|1,0,0]=3 15314 B15R1.157 CCOCC(=O)NCCC1CCCCO1 11a_100015183643_100000211967 [0,1,0,1,0,0|2,0,0]=4 15315 B15R1.157 CCOCC(=O)NCCC1CCCCO1 1626a_100015183643_100000211967 [0,1,0,1,0,0|2,0,0]=4 15316 B15R1.157 CCOCC(=O)NCCC1CCCCO1 240690a_100015183643_100000211967 [0,1,0,1,0,0|2,0,0]=4 15317 B15R1.157 CCOCC(=O)NCCC1CCCCO1 527a_100015183643_100000211967 [0,1,0,1,0,0|2,0,0]=4 15318 B15R1.157 CCOCC(=O)NCCC1CCOCC1 11a_100000755988_100000211967 [0,1,0,1,0,0|2,0,0]=4 15319 B15R1.157 CCOCC(=O)NCCC1CCOCC1 1626a_100000755988_100000211967 [0,1,0,1,0,0|2,0,0]=4 15320 B15R1.157 CCOCC(=O)NCCC1CCOCC1 240690a_100000755988_100000211967 [0,1,0,1,0,0|2,0,0]=4 15321 B15R1.157 CCOCC(=O)NCCC1CCOCC1 527a_100000755988_100000211967 [0,1,0,1,0,0|2,0,0]=4 15322 B15R1.157 CCOCC(=O)NCCN1CCCCC1 240690a_100000216509_100000211967 [0,1,0,1,0,0|2,0,0]=4 15323 B15R1.157 CCOCC(=O)NCCN1CCCCC1 527a_100000216509_100000211967 [0,1,0,1,0,0|2,0,0]=4 15324 B15R1.157 CCOCC(=O)NNCC1CCCCC1 22a_100000740227_100000211967 [0,1,0,1,0,0|2,0,0]=4 15325 B15R1.157 CCOCC(C)OCCC1CCCCC1 34a_100000718985_100011209188 [0,1,0,1,0,0|1,0,1]=4 15326 B15R1.157 CCOCC(C)OCCC1CCCCC1 7a_100000718985_100011273959 [0,1,0,1,0,0|1,0,1]=4 15327 B15R1.157 CCSCC(=O)CCCC1CCCCC1 1458a_100000230394_100011713725 [0,1,0,1,0,0|1,0,0]=3 15328 B15R1.157 CCSCC(=O)CCCN1CCCCC1 1458a_100000230394_100000690320 [0,1,0,1,0,0|2,0,0]=4 15329 B15R1.157 CCSCC(=O)CCOC1CCCCC1 1458a_100000230394_100011211530 [0,1,0,1,0,0|2,0,0]=4 15330 B15R1.157 CCSCC(=O)NCCC1CCCCC1 11a_100000738074_100000230394 [0,1,0,1,0,0|1,0,0]=3 15331 B15R1.157 CCSCC(=O)NCCC1CCCCC1 1626a_100000738074_100000230394 [0,1,0,1,0,0|1,0,0]=3 15332 B15R1.157 CCSCC(=O)NCCC1CCCCC1 240690a_100000738074_100000230394 [0,1,0,1,0,0|1,0,0]=3 15333 B15R1.157 CCSCC(=O)NCCC1CCCCC1 527a_100000738074_100000230394 [0,1,0,1,0,0|1,0,0]=3 15334 B15R1.157 CCSCC(=O)NCCC1CCCCO1 11a_100015183643_100000230394 [0,1,0,1,0,0|2,0,0]=4 15335 B15R1.157 CCSCC(=O)NCCC1CCCCO1 1626a_100015183643_100000230394 [0,1,0,1,0,0|2,0,0]=4 15336 B15R1.157 CCSCC(=O)NCCC1CCCCO1 240690a_100015183643_100000230394 [0,1,0,1,0,0|2,0,0]=4 15337 B15R1.157 CCSCC(=O)NCCC1CCCCO1 527a_100015183643_100000230394 [0,1,0,1,0,0|2,0,0]=4 15338 B15R1.157 CCSCC(=O)NCCC1CCOCC1 11a_100000755988_100000230394 [0,1,0,1,0,0|2,0,0]=4 15339 B15R1.157 CCSCC(=O)NCCC1CCOCC1 1626a_100000755988_100000230394 [0,1,0,1,0,0|2,0,0]=4 15340 B15R1.157 CCSCC(=O)NCCC1CCOCC1 240690a_100000755988_100000230394 [0,1,0,1,0,0|2,0,0]=4 15341 B15R1.157 CCSCC(=O)NCCC1CCOCC1 527a_100000755988_100000230394 [0,1,0,1,0,0|2,0,0]=4 15342 B15R1.157 CCSCC(=O)NCCN1CCCCC1 240690a_100000216509_100000230394 [0,1,0,1,0,0|2,0,0]=4 15343 B15R1.157 CCSCC(=O)NCCN1CCCCC1 527a_100000216509_100000230394 [0,1,0,1,0,0|2,0,0]=4 15344 B15R1.157 CCSCC(=O)NNCC1CCCCC1 22a_100000740227_100000230394 [0,1,0,1,0,0|2,0,0]=4 15345 B15R1.157 COCCC(=O)CCCC1CCCCC1 1458a_100000211478_100000233755 [0,1,0,1,0,0|1,0,0]=3 15346 B15R1.157 COCCC(=O)CCCC1CCCCC1 1458a_100000749529_100011713725 [0,1,0,1,0,0|1,0,0]=3 15347 B15R1.157 COCCC(=O)CCCN1CCCCC1 1458a_100000742516_100000233755 [0,1,0,1,0,0|2,0,0]=4 15348 B15R1.157 COCCC(=O)CCCN1CCCCC1 1458a_100000749529_100000690320 [0,1,0,1,0,0|2,0,0]=4 15349 B15R1.157 COCCC(=O)CCOC1CCCCC1 1458a_100000749529_100011211530 [0,1,0,1,0,0|2,0,0]=4 15350 B15R1.157 COCCC(=O)NCCC1CCCCC1 11a_100000738074_100000749529 [0,1,0,1,0,0|1,0,0]=3 15351 B15R1.157 COCCC(=O)NCCC1CCCCC1 1626a_100000738074_100000749529 [0,1,0,1,0,0|1,0,0]=3 15352 B15R1.157 COCCC(=O)NCCC1CCCCC1 240690a_100000738074_100000749529 [0,1,0,1,0,0|1,0,0]=3 15353 B15R1.157 COCCC(=O)NCCC1CCCCC1 527a_100000738074_100000749529 [0,1,0,1,0,0|1,0,0]=3 15354 B15R1.157 COCCC(=O)NCCC1CCCCO1 11a_100015183643_100000749529 [0,1,0,1,0,0|2,0,0]=4 15355 B15R1.157 COCCC(=O)NCCC1CCCCO1 1626a_100015183643_100000749529 [0,1,0,1,0,0|2,0,0]=4 15356 B15R1.157 COCCC(=O)NCCC1CCCCO1 240690a_100015183643_100000749529 [0,1,0,1,0,0|2,0,0]=4 15357 B15R1.157 COCCC(=O)NCCC1CCCCO1 527a_100015183643_100000749529 [0,1,0,1,0,0|2,0,0]=4 15358 B15R1.157 COCCC(=O)NCCC1CCOCC1 11a_100000755988_100000749529 [0,1,0,1,0,0|2,0,0]=4 15359 B15R1.157 COCCC(=O)NCCC1CCOCC1 1626a_100000755988_100000749529 [0,1,0,1,0,0|2,0,0]=4 15360 B15R1.157 COCCC(=O)NCCC1CCOCC1 240690a_100000755988_100000749529 [0,1,0,1,0,0|2,0,0]=4 15361 B15R1.157 COCCC(=O)NCCC1CCOCC1 527a_100000755988_100000749529 [0,1,0,1,0,0|2,0,0]=4 15362 B15R1.157 COCCC(=O)NCCN1CCCCC1 240690a_100000216509_100000749529 [0,1,0,1,0,0|2,0,0]=4 15363 B15R1.157 COCCC(=O)NCCN1CCCCC1 527a_100000216509_100000749529 [0,1,0,1,0,0|2,0,0]=4 15364 B15R1.157 COCCC(=O)NNCC1CCCCC1 22a_100000740227_100000749529 [0,1,0,1,0,0|2,0,0]=4 15365 B15R1.157 CSCCC(=O)CCCC1CCCCC1 1458a_100000174002_100011713725 [0,1,0,1,0,0|1,0,0]=3 15366 B15R1.157 CSCCC(=O)CCCC1CCCCC1 1458a_100000211478_100000751147 [0,1,0,1,0,0|1,0,0]=3 15367 B15R1.157 CSCCC(=O)CCCN1CCCCC1 1458a_100000174002_100000690320 [0,1,0,1,0,0|2,0,0]=4 15368 B15R1.157 CSCCC(=O)CCCN1CCCCC1 1458a_100000742516_100000751147 [0,1,0,1,0,0|2,0,0]=4 15369 B15R1.157 CSCCC(=O)CCOC1CCCCC1 1458a_100000174002_100011211530 [0,1,0,1,0,0|2,0,0]=4 15370 B15R1.157 CSCCC(=O)NCCC1CCCCC1 11a_100000738074_100000174002 [0,1,0,1,0,0|1,0,0]=3 15371 B15R1.157 CSCCC(=O)NCCC1CCCCC1 1626a_100000738074_100000174002 [0,1,0,1,0,0|1,0,0]=3 15372 B15R1.157 CSCCC(=O)NCCC1CCCCC1 240690a_100000738074_100000174002 [0,1,0,1,0,0|1,0,0]=3 15373 B15R1.157 CSCCC(=O)NCCC1CCCCC1 527a_100000738074_100000174002 [0,1,0,1,0,0|1,0,0]=3 15374 B15R1.157 CSCCC(=O)NCCC1CCCCO1 11a_100015183643_100000174002 [0,1,0,1,0,0|2,0,0]=4 15375 B15R1.157 CSCCC(=O)NCCC1CCCCO1 1626a_100015183643_100000174002 [0,1,0,1,0,0|2,0,0]=4 15376 B15R1.157 CSCCC(=O)NCCC1CCCCO1 240690a_100015183643_100000174002 [0,1,0,1,0,0|2,0,0]=4 15377 B15R1.157 CSCCC(=O)NCCC1CCCCO1 527a_100015183643_100000174002 [0,1,0,1,0,0|2,0,0]=4 15378 B15R1.157 CSCCC(=O)NCCC1CCOCC1 11a_100000755988_100000174002 [0,1,0,1,0,0|2,0,0]=4 15379 B15R1.157 CSCCC(=O)NCCC1CCOCC1 1626a_100000755988_100000174002 [0,1,0,1,0,0|2,0,0]=4 15380 B15R1.157 CSCCC(=O)NCCC1CCOCC1 240690a_100000755988_100000174002 [0,1,0,1,0,0|2,0,0]=4 15381 B15R1.157 CSCCC(=O)NCCC1CCOCC1 527a_100000755988_100000174002 [0,1,0,1,0,0|2,0,0]=4 15382 B15R1.157 CSCCC(=O)NCCN1CCCCC1 240690a_100000216509_100000174002 [0,1,0,1,0,0|2,0,0]=4 15383 B15R1.157 CSCCC(=O)NCCN1CCCCC1 527a_100000216509_100000174002 [0,1,0,1,0,0|2,0,0]=4 15384 B15R1.157 CSCCC(=O)NNCC1CCCCC1 22a_100000740227_100000174002 [0,1,0,1,0,0|2,0,0]=4 15385 B15R1.157 N#CCCC(=O)CCCC1CCCCC1 1458a_100000211478_100011215226 [0,1,0,1,0,0|1,0,1]=4 15386 B15R1.157 N#CCCC(=O)CCCC1CCCCC1 1458a_100011934036_100011713725 [0,1,0,1,0,0|1,0,1]=4 15387 B15R1.157 N#CCCC(=O)NCCC1CCCCC1 11a_100000738074_100011934036 [0,1,0,1,0,0|1,0,1]=4 15388 B15R1.157 N#CCCC(=O)NCCC1CCCCC1 1626a_100000738074_100011934036 [0,1,0,1,0,0|1,0,1]=4 15389 B15R1.157 N#CCCC(=O)NCCC1CCCCC1 240690a_100000738074_100011934036 [0,1,0,1,0,0|1,0,1]=4 15390 B15R1.157 N#CCCC(=O)NCCC1CCCCC1 527a_100000738074_100011934036 [0,1,0,1,0,0|1,0,1]=4 15391 B15R1.157 O=C(CCCC1CCCCC1)NCCF 11a_100000724931_100000211478 [0,1,0,1,0,0|2,0,0]=4 15392 B15R1.157 O=C(CCCC1CCCCC1)NCCF 1626a_100000724931_100000211478 [0,1,0,1,0,0|2,0,0]=4 15393 B15R1.157 O=C(CCCC1CCCCC1)NCCF 240690a_100000724931_100000211478 [0,1,0,1,0,0|2,0,0]=4 15394 B15R1.157 O=C(CCCC1CCCCC1)NCCF 527a_100000724931_100000211478 [0,1,0,1,0,0|2,0,0]=4 15395 B15R1.157 O=C(CCCC1CCCCC1)NCCO 240690a_100000210304_100000211478 [0,1,0,1,0,0|2,0,0]=4 15396 B15R1.157 O=C(CCCC1CCCCC1)NCCO 527a_100000210304_100000211478 [0,1,0,1,0,0|2,0,0]=4 15397 B15R1.157 O=C(CCCF)CCCC1CCCCC1 1458a_100000211478_100011934791 [0,1,0,1,0,0|1,0,0]=3 15398 B15R1.157 O=C(CCCF)CCCN1CCCCC1 1458a_100000742516_100011934791 [0,1,0,1,0,0|2,0,0]=4 15399 B15R1.157 O=C(CCCO)CCCC1CCCCC1 1458a_100000211478_100011215043 [0,1,0,1,0,0|1,0,0]=3 15400 B15R1.157 O=C(CCCO)CCCN1CCCCC1 1458a_100000742516_100011215043 [0,1,0,1,0,0|2,0,0]=4 15401 B15R1.157 O=C(NCCF)NCCC1CCCCC1 2708a_100000738074_100000724931 [0,1,0,1,0,0|2,0,0]=4 15402 B15R1.157 O=C(NCCF)NCCC1CCCCC1 273464a_100000724931_100000738074 [0,1,0,1,0,0|2,0,0]=4 15403 B15R1.157 O=C(NCCF)NCCC1CCCCC1 273464a_100000738074_100000724931 [0,1,0,1,0,0|2,0,0]=4 15404 B15R1.157 O=C(NCCF)NCCC1CCCCC1 512a_100000738074_100000724931 [0,1,0,1,0,0|2,0,0]=4 15405 B15R1.157 O=C(NCCO)NCCC1CCCCC1 2708a_100000738074_100000210304 [0,1,0,1,0,0|2,0,0]=4 15406 B15R1.157 O=C(NCCO)NCCC1CCCCC1 273464a_100000210304_100000738074 [0,1,0,1,0,0|2,0,0]=4 15407 B15R1.157 O=C(NCCO)NCCC1CCCCC1 273464a_100000738074_100000210304 [0,1,0,1,0,0|2,0,0]=4 15408 B15R1.157 O=C(NCCO)NCCC1CCCCC1 512a_100000738074_100000210304 [0,1,0,1,0,0|2,0,0]=4 15409 B15R1.1208 CC1CCCCC1OCC(=O)CCCF 1458a_100011223357_100011934791 [0,1,0,1,0,0|2,0,0]=4 15410 B15R1.1208 CC1CCCCC1OCC(=O)CCCO 1458a_100011223357_100011215043 [0,1,0,1,0,0|2,0,0]=4 15411 B15R1.1208 CCCCC(=O)CCC1CCCCN1C 1458a_100000210183_100000211948 [0,1,0,1,0,0|2,0,0]=4 15412 B15R1.1208 CCCCC(=O)CCC1CCCCN1C 1458a_100000718493_100000210211 [0,1,0,1,0,0|2,0,0]=4 15413 B15R1.1208 CCCCC(=O)COC1CCCCC1C 1458a_100011223357_100000210211 [0,1,0,1,0,0|2,0,0]=4 15414 B15R1.1208 CCCCC(=O)NCC1CCCCC1O 240690a_100011216029_100000210183 [0,1,0,1,0,0|2,0,0]=4 15415 B15R1.1208 CCCCC(=O)NCC1CCCCC1O 527a_100011216029_100000210183 [0,1,0,1,0,0|2,0,0]=4 15416 B15R1.1208 CCCCC(=O)NCC1CCCCN1C 240690a_100011228421_100000210183 [0,1,0,1,0,0|2,0,0]=4 15417 B15R1.1208 CCCCC(=O)NCC1CCCCN1C 527a_100011228421_100000210183 [0,1,0,1,0,0|2,0,0]=4 15418 B15R1.1208 CCCNC(=O)CCC1CCCCN1C 240690a_100020643023_100000718493 [0,1,0,1,0,0|2,0,0]=4 15419 B15R1.1208 CCCNC(=O)CCC1CCCCN1C 527a_100020643023_100000718493 [0,1,0,1,0,0|2,0,0]=4 15420 B15R1.1208 CCCNC(=O)CCN1CCCCC1C 240690a_100020643023_100000727554 [0,1,0,1,0,0|2,0,0]=4 15421 B15R1.1208 CCCNC(=O)CNC1CCCCC1C 2230a_100000211402_100000183358 [0,1,0,1,0,0|2,0,0]=4 15422 B15R1.1208 CCCNC(=O)CNC1CCCCC1C 269862a_100000174927_100000210921 [0,1,0,1,0,0|2,0,0]=4 15423 B15R1.1208 CCCNC(=O)CNC1CCCCC1C 270004a_100000174927_100000210921 [0,1,0,1,0,0|2,0,0]=4 15424 B15R1.1208 CCCNC(=O)CNC1CCCCC1C 34a_100000211402_100000183358 [0,1,0,1,0,0|2,0,0]=4 15425 B15R1.1208 CCCNC(=O)COC1CCCCC1C 11a_100020643023_100011223357 [0,1,0,1,0,0|2,0,0]=4 15426 B15R1.1208 CCCNC(=O)COC1CCCCC1C 1626a_100020643023_100011223357 [0,1,0,1,0,0|2,0,0]=4 15427 B15R1.1208 CCCNC(=O)COC1CCCCC1C 240690a_100020643023_100011223357 [0,1,0,1,0,0|2,0,0]=4 15428 B15R1.1208 CCCNC(=O)COC1CCCCC1C 34a_100000211207_100000183358 [0,1,0,1,0,0|2,0,0]=4 15429 B15R1.1208 CCCNC(=O)COC1CCCCC1C 527a_100020643023_100011223357 [0,1,0,1,0,0|2,0,0]=4 15430 B15R1.1208 CCCNC(=O)COC1CCCCC1C 7a_100000211207_100000183358 [0,1,0,1,0,0|2,0,0]=4 15431 B15R1.1208 CCCNC(=O)NCC1CCCCC1O 2708a_100020643023_100011216029 [0,1,0,1,0,0|2,0,0]=4 15432 B15R1.1208 CCCNC(=O)NCC1CCCCC1O 273464a_100020643023_100011216029 [0,1,0,1,0,0|2,0,0]=4 15433 B15R1.1208 CCCNC(=O)NCC1CCCCC1O 512a_100020643023_100011216029 [0,1,0,1,0,0|2,0,0]=4 15434 B15R1.1208 CCCNC(=O)NCC1CCCCN1C 2708a_100011228421_100020643023 [0,1,0,1,0,0|2,0,0]=4 15435 B15R1.1208 CCCNC(=O)NCC1CCCCN1C 2708a_100020643023_100011228421 [0,1,0,1,0,0|2,0,0]=4 15436 B15R1.1208 CCCNC(=O)NCC1CCCCN1C 273464a_100011228421_100020643023 [0,1,0,1,0,0|2,0,0]=4 15437 B15R1.1208 CCCNC(=O)NCC1CCCCN1C 273464a_100020643023_100011228421 [0,1,0,1,0,0|2,0,0]=4 15438 B15R1.1208 CCCNC(=O)NCC1CCCCN1C 512a_100011228421_100020643023 [0,1,0,1,0,0|2,0,0]=4 15439 B15R1.1208 CCCNC(=O)NCC1CCCCN1C 512a_100020643023_100011228421 [0,1,0,1,0,0|2,0,0]=4 15440 B15R1.1208 CCCOC(=O)CNC1CCCCC1C 2230a_100000211402_200011215008 [0,1,0,1,0,0|2,0,0]=4 15441 B15R1.1208 CCCOC(=O)CNC1CCCCC1C 34a_100000211402_200011215008 [0,1,0,1,0,0|2,0,0]=4 15442 B15R1.1208 CCCOC(=O)COC1CCCCC1C 34a_100000211207_200011215008 [0,1,0,1,0,0|2,0,0]=4 15443 B15R1.1208 CCCOC(=O)COC1CCCCC1C 7a_100000211207_200011215008 [0,1,0,1,0,0|2,0,0]=4 15444 B15R1.1208 CCCOC(=O)OCN1CCCCC1C 269982a_100000211376_200000139673 [0,1,0,1,0,0|1,0,0]=3 15445 B15R1.1208 CCCOC(=O)OCN1CCCCC1C 34a_100000211376_200000139673 [0,1,0,1,0,0|1,0,0]=3 15446 B15R1.1208 CCCOC(=O)OCN1CCOC[C@@H]1C 269982a_100009815349_200000139673 [0,1,0,1,0,0|2,0,0]=4 15447 B15R1.1208 CCCOC(=O)OCN1CCOC[C@@H]1C 34a_100009815349_200000139673 [0,1,0,1,0,0|2,0,0]=4 15448 B15R1.1208 CCOCC(=O)CCC1CCCCN1C 1458a_100000211967_100000211948 [0,1,0,1,0,0|2,0,0]=4 15449 B15R1.1208 CCOCC(=O)NCC1CCCCC1O 240690a_100011216029_100000211967 [0,1,0,1,0,0|2,0,0]=4 15450 B15R1.1208 CCOCC(=O)NCC1CCCCC1O 527a_100011216029_100000211967 [0,1,0,1,0,0|2,0,0]=4 15451 B15R1.1208 CCOCC(=O)NCC1CCCCN1C 240690a_100011228421_100000211967 [0,1,0,1,0,0|2,0,0]=4 15452 B15R1.1208 CCOCC(=O)NCC1CCCCN1C 527a_100011228421_100000211967 [0,1,0,1,0,0|2,0,0]=4 15453 B15R1.1208 CCSCC(=O)CCC1CCCCN1C 1458a_100000230394_100000211948 [0,1,0,1,0,0|2,0,0]=4 15454 B15R1.1208 CCSCC(=O)NCC1CCCCC1O 240690a_100011216029_100000230394 [0,1,0,1,0,0|2,0,0]=4 15455 B15R1.1208 CCSCC(=O)NCC1CCCCC1O 527a_100011216029_100000230394 [0,1,0,1,0,0|2,0,0]=4 15456 B15R1.1208 CCSCC(=O)NCC1CCCCN1C 240690a_100011228421_100000230394 [0,1,0,1,0,0|2,0,0]=4 15457 B15R1.1208 CCSCC(=O)NCC1CCCCN1C 527a_100011228421_100000230394 [0,1,0,1,0,0|2,0,0]=4 15458 B15R1.1208 CN1CCCCC1CCC(=O)CCCF 1458a_100000718493_100011934791 [0,1,0,1,0,0|2,0,0]=4 15459 B15R1.1208 CN1CCCCC1CCC(=O)CCCO 1458a_100000718493_100011215043 [0,1,0,1,0,0|2,0,0]=4 15460 B15R1.1208 COCCC(=O)CCC1CCCCN1C 1458a_100000718493_100000233755 [0,1,0,1,0,0|2,0,0]=4 15461 B15R1.1208 COCCC(=O)CCC1CCCCN1C 1458a_100000749529_100000211948 [0,1,0,1,0,0|2,0,0]=4 15462 B15R1.1208 COCCC(=O)COC1CCCCC1C 1458a_100011223357_100000233755 [0,1,0,1,0,0|2,0,0]=4 15463 B15R1.1208 COCCC(=O)NCC1CCCCC1O 240690a_100011216029_100000749529 [0,1,0,1,0,0|2,0,0]=4 15464 B15R1.1208 COCCC(=O)NCC1CCCCC1O 527a_100011216029_100000749529 [0,1,0,1,0,0|2,0,0]=4 15465 B15R1.1208 COCCC(=O)NCC1CCCCN1C 240690a_100011228421_100000749529 [0,1,0,1,0,0|2,0,0]=4 15466 B15R1.1208 COCCC(=O)NCC1CCCCN1C 527a_100011228421_100000749529 [0,1,0,1,0,0|2,0,0]=4 15467 B15R1.1208 CSCCC(=O)CCC1CCCCN1C 1458a_100000174002_100000211948 [0,1,0,1,0,0|2,0,0]=4 15468 B15R1.1208 CSCCC(=O)CCC1CCCCN1C 1458a_100000718493_100000751147 [0,1,0,1,0,0|2,0,0]=4 15469 B15R1.1208 CSCCC(=O)COC1CCCCC1C 1458a_100011223357_100000751147 [0,1,0,1,0,0|2,0,0]=4 15470 B15R1.1208 CSCCC(=O)NCC1CCCCC1O 240690a_100011216029_100000174002 [0,1,0,1,0,0|2,0,0]=4 15471 B15R1.1208 CSCCC(=O)NCC1CCCCC1O 527a_100011216029_100000174002 [0,1,0,1,0,0|2,0,0]=4 15472 B15R1.1208 CSCCC(=O)NCC1CCCCN1C 240690a_100011228421_100000174002 [0,1,0,1,0,0|2,0,0]=4 15473 B15R1.1208 CSCCC(=O)NCC1CCCCN1C 527a_100011228421_100000174002 [0,1,0,1,0,0|2,0,0]=4 15474 B15R1.1213 CCCCC(=O)NCC1CCCN1CC 11a_100000211693_100000210183 [0,1,0,1,0,0|2,0,0]=4 15475 B15R1.1213 CCCCC(=O)NCC1CCCN1CC 1626a_100000211693_100000210183 [0,1,0,1,0,0|2,0,0]=4 15476 B15R1.1213 CCCCC(=O)NCC1CCCN1CC 240690a_100000211693_100000210183 [0,1,0,1,0,0|2,0,0]=4 15477 B15R1.1213 CCCCC(=O)NCC1CCCN1CC 527a_100000211693_100000210183 [0,1,0,1,0,0|2,0,0]=4 15478 B15R1.1213 CCCNC(=O)CNC1CCCC1CC 269862a_100000174927_100000749056 [0,1,0,1,0,0|2,0,0]=4 15479 B15R1.1213 CCCNC(=O)CNC1CCCC1CC 270004a_100000174927_100000749056 [0,1,0,1,0,0|2,0,0]=4 15480 B15R1.1213 CCCNC(=O)NCC1CCCN1CC 2708a_100020643023_100000211693 [0,1,0,1,0,0|2,0,0]=4 15481 B15R1.1213 CCCNC(=O)NCC1CCCN1CC 273464a_100000211693_100020643023 [0,1,0,1,0,0|2,0,0]=4 15482 B15R1.1213 CCCNC(=O)NCC1CCCN1CC 273464a_100020643023_100000211693 [0,1,0,1,0,0|2,0,0]=4 15483 B15R1.1213 CCCNC(=O)NCC1CCCN1CC 512a_100000211693_100020643023 [0,1,0,1,0,0|2,0,0]=4 15484 B15R1.1213 CCCNC(=O)NCC1CCCN1CC 512a_100020643023_100000211693 [0,1,0,1,0,0|2,0,0]=4 15485 B15R1.1213 CCCOC(=O)OCN1CCCC1CC 269982a_100000754278_200000139673 [0,1,0,1,0,0|1,0,0]=3 15486 B15R1.1213 CCCOC(=O)OCN1CCCC1CC 34a_100000754278_200000139673 [0,1,0,1,0,0|1,0,0]=3 15487 B15R1.1213 CCCOC(=O)OCN1CCC[C@@H]1CO 269982a_100000745186_200000139673 [0,1,0,1,0,0|2,0,0]=4 15488 B15R1.1213 CCCOC(=O)OCN1CCC[C@@H]1CO 34a_100000745186_200000139673 [0,1,0,1,0,0|2,0,0]=4 15489 B15R1.1213 CCN1CCCC1CNC(=O)CCOC 11a_100000211693_100000749529 [0,1,0,1,0,0|2,0,0]=4 15490 B15R1.1213 CCN1CCCC1CNC(=O)CCOC 1626a_100000211693_100000749529 [0,1,0,1,0,0|2,0,0]=4 15491 B15R1.1213 CCN1CCCC1CNC(=O)CCOC 240690a_100000211693_100000749529 [0,1,0,1,0,0|2,0,0]=4 15492 B15R1.1213 CCN1CCCC1CNC(=O)CCOC 527a_100000211693_100000749529 [0,1,0,1,0,0|2,0,0]=4 15493 B15R1.1213 CCN1CCCC1CNC(=O)CCSC 11a_100000211693_100000174002 [0,1,0,1,0,0|2,0,0]=4 15494 B15R1.1213 CCN1CCCC1CNC(=O)CCSC 1626a_100000211693_100000174002 [0,1,0,1,0,0|2,0,0]=4 15495 B15R1.1213 CCN1CCCC1CNC(=O)CCSC 240690a_100000211693_100000174002 [0,1,0,1,0,0|2,0,0]=4 15496 B15R1.1213 CCN1CCCC1CNC(=O)CCSC 527a_100000211693_100000174002 [0,1,0,1,0,0|2,0,0]=4 15497 B15R1.1213 CCOCC(=O)NCC1CCCN1CC 11a_100000211693_100000211967 [0,1,0,1,0,0|2,0,0]=4 15498 B15R1.1213 CCOCC(=O)NCC1CCCN1CC 1626a_100000211693_100000211967 [0,1,0,1,0,0|2,0,0]=4 15499 B15R1.1213 CCOCC(=O)NCC1CCCN1CC 240690a_100000211693_100000211967 [0,1,0,1,0,0|2,0,0]=4 15500 B15R1.1213 CCOCC(=O)NCC1CCCN1CC 527a_100000211693_100000211967 [0,1,0,1,0,0|2,0,0]=4 15501 B15R1.1213 CCSCC(=O)NCC1CCCN1CC 11a_100000211693_100000230394 [0,1,0,1,0,0|2,0,0]=4 15502 B15R1.1213 CCSCC(=O)NCC1CCCN1CC 1626a_100000211693_100000230394 [0,1,0,1,0,0|2,0,0]=4 15503 B15R1.1213 CCSCC(=O)NCC1CCCN1CC 240690a_100000211693_100000230394 [0,1,0,1,0,0|2,0,0]=4 15504 B15R1.1213 CCSCC(=O)NCC1CCCN1CC 527a_100000211693_100000230394 [0,1,0,1,0,0|2,0,0]=4 15505 B15R1.1223 CCCNC(=O)CCCOCC1CC1C 7a_100000744939_100011194427 [0,1,0,1,0,0|2,0,0]=4 15506 B15R1.1224 CCCNC(=O)CCCNCC1CCC1 2230a_100000738700_100011194427 [0,1,0,1,0,0|2,0,0]=4 15507 B15R1.1224 CCCNC(=O)CCCSCC1CCC1 62a_100000763275_100011194427 [0,1,0,1,0,0|2,0,0]=4 15508 B15R1.1224 CCCNC(=O)CCCSCC1CCC1 62a_100011194427_100000763275 [0,1,0,1,0,0|2,0,0]=4 15509 B15R1.1224 CCCOC(=O)OCOCCC1COC1 34a_100009855314_200000139673 [0,1,0,1,0,0|2,0,0]=4 15510 B15R1.1240 C#CCCC(=O)N1CCCCC1CCC 11a_100000701414_100000692101 [0,1,0,1,0,0|1,0,1]=4 15511 B15R1.1240 C#CCCC(=O)N1CCCCC1CCC 1626a_100000701414_100000692101 [0,1,0,1,0,0|1,0,1]=4 15512 B15R1.1240 C#CCCC(=O)N1CCCCC1CCC 240690a_100000701414_100000692101 [0,1,0,1,0,0|1,0,1]=4 15513 B15R1.1240 C#CCCC(=O)N1CCCCC1CCC 527a_100000701414_100000692101 [0,1,0,1,0,0|1,0,1]=4 15514 B15R1.1240 C=CCCC(=O)N1CCCCC1CCC 11a_100000701414_100000749702 [0,1,0,1,0,0|1,0,1]=4 15515 B15R1.1240 C=CCCC(=O)N1CCCCC1CCC 1626a_100000701414_100000749702 [0,1,0,1,0,0|1,0,1]=4 15516 B15R1.1240 C=CCCC(=O)N1CCCCC1CCC 240690a_100000701414_100000749702 [0,1,0,1,0,0|1,0,1]=4 15517 B15R1.1240 C=CCCC(=O)N1CCCCC1CCC 527a_100000701414_100000749702 [0,1,0,1,0,0|1,0,1]=4 15518 B15R1.1240 CC=CCC(=O)N1CCCCC1CCC 11a_100000701414_100121576822 [0,1,0,1,0,0|1,0,1]=4 15519 B15R1.1240 CC=CCC(=O)N1CCCCC1CCC 1626a_100000701414_100121576822 [0,1,0,1,0,0|1,0,1]=4 15520 B15R1.1240 CC=CCC(=O)N1CCCCC1CCC 240690a_100000701414_100121576822 [0,1,0,1,0,0|1,0,1]=4 15521 B15R1.1240 CC=CCC(=O)N1CCCCC1CCC 527a_100000701414_100121576822 [0,1,0,1,0,0|1,0,1]=4 15522 B15R1.1240 CCC=CC(=O)N1CCCCC1CCC 11a_100000701414_100000212282 [0,1,0,1,0,0|1,0,1]=4 15523 B15R1.1240 CCC=CC(=O)N1CCCCC1CCC 1626a_100000701414_100000212282 [0,1,0,1,0,0|1,0,1]=4 15524 B15R1.1240 CCC=CC(=O)N1CCCCC1CCC 240690a_100000701414_100000212282 [0,1,0,1,0,0|1,0,1]=4 15525 B15R1.1240 CCCC1CCCCN1C(=O)CCC#N 11a_100000701414_100011934036 [0,1,0,1,0,0|1,0,1]=4 15526 B15R1.1240 CCCC1CCCCN1C(=O)CCC#N 1626a_100000701414_100011934036 [0,1,0,1,0,0|1,0,1]=4 15527 B15R1.1240 CCCC1CCCCN1C(=O)CCC#N 240690a_100000701414_100011934036 [0,1,0,1,0,0|1,0,1]=4 15528 B15R1.1240 CCCC1CCCCN1C(=O)CCC#N 527a_100000701414_100011934036 [0,1,0,1,0,0|1,0,1]=4 15529 B15R1.1240 CCCC1CCCCN1C(=O)CCOC 11a_100000701414_100000749529 [0,1,0,1,0,0|1,0,0]=3 15530 B15R1.1240 CCCC1CCCCN1C(=O)CCOC 1626a_100000701414_100000749529 [0,1,0,1,0,0|1,0,0]=3 15531 B15R1.1240 CCCC1CCCCN1C(=O)CCOC 240690a_100000701414_100000749529 [0,1,0,1,0,0|1,0,0]=3 15532 B15R1.1240 CCCC1CCCCN1C(=O)CCOC 527a_100000701414_100000749529 [0,1,0,1,0,0|1,0,0]=3 15533 B15R1.1240 CCCC1CCCCN1C(=O)CCSC 11a_100000701414_100000174002 [0,1,0,1,0,0|1,0,0]=3 15534 B15R1.1240 CCCC1CCCCN1C(=O)CCSC 1626a_100000701414_100000174002 [0,1,0,1,0,0|1,0,0]=3 15535 B15R1.1240 CCCC1CCCCN1C(=O)CCSC 240690a_100000701414_100000174002 [0,1,0,1,0,0|1,0,0]=3 15536 B15R1.1240 CCCC1CCCCN1C(=O)CCSC 527a_100000701414_100000174002 [0,1,0,1,0,0|1,0,0]=3 15537 B15R1.1240 CCCC1CCCCN1C(=O)COCC 11a_100000701414_100000211967 [0,1,0,1,0,0|1,0,0]=3 15538 B15R1.1240 CCCC1CCCCN1C(=O)COCC 1626a_100000701414_100000211967 [0,1,0,1,0,0|1,0,0]=3 15539 B15R1.1240 CCCC1CCCCN1C(=O)COCC 240690a_100000701414_100000211967 [0,1,0,1,0,0|1,0,0]=3 15540 B15R1.1240 CCCC1CCCCN1C(=O)COCC 527a_100000701414_100000211967 [0,1,0,1,0,0|1,0,0]=3 15541 B15R1.1240 CCCC1CCCCN1C(=O)CSCC 11a_100000701414_100000230394 [0,1,0,1,0,0|1,0,0]=3 15542 B15R1.1240 CCCC1CCCCN1C(=O)CSCC 1626a_100000701414_100000230394 [0,1,0,1,0,0|1,0,0]=3 15543 B15R1.1240 CCCC1CCCCN1C(=O)CSCC 240690a_100000701414_100000230394 [0,1,0,1,0,0|1,0,0]=3 15544 B15R1.1240 CCCC1CCCCN1C(=O)CSCC 527a_100000701414_100000230394 [0,1,0,1,0,0|1,0,0]=3 15545 B15R1.1240 CCCC1CCCCN1C(=O)NCCF 273464a_100000724931_100000701414 [0,1,0,1,0,0|2,0,0]=4 15546 B15R1.1240 CCCC1CCCCN1C(=O)NCCO 273464a_100000210304_100000701414 [0,1,0,1,0,0|2,0,0]=4 15547 B15R1.1240 CCCC1COCCN1C(=O)CCOC 11a_102495339903_100000749529 [0,1,0,1,0,0|2,0,0]=4 15548 B15R1.1240 CCCC1COCCN1C(=O)CCOC 1626a_102495339903_100000749529 [0,1,0,1,0,0|2,0,0]=4 15549 B15R1.1240 CCCC1COCCN1C(=O)CCOC 240690a_102495339903_100000749529 [0,1,0,1,0,0|2,0,0]=4 15550 B15R1.1240 CCCC1COCCN1C(=O)CCOC 527a_102495339903_100000749529 [0,1,0,1,0,0|2,0,0]=4 15551 B15R1.1240 CCCC1COCCN1C(=O)CCSC 11a_102495339903_100000174002 [0,1,0,1,0,0|2,0,0]=4 15552 B15R1.1240 CCCC1COCCN1C(=O)CCSC 1626a_102495339903_100000174002 [0,1,0,1,0,0|2,0,0]=4 15553 B15R1.1240 CCCC1COCCN1C(=O)CCSC 240690a_102495339903_100000174002 [0,1,0,1,0,0|2,0,0]=4 15554 B15R1.1240 CCCC1COCCN1C(=O)CCSC 527a_102495339903_100000174002 [0,1,0,1,0,0|2,0,0]=4 15555 B15R1.1240 CCCC1COCCN1C(=O)COCC 11a_102495339903_100000211967 [0,1,0,1,0,0|2,0,0]=4 15556 B15R1.1240 CCCC1COCCN1C(=O)COCC 1626a_102495339903_100000211967 [0,1,0,1,0,0|2,0,0]=4 15557 B15R1.1240 CCCC1COCCN1C(=O)COCC 240690a_102495339903_100000211967 [0,1,0,1,0,0|2,0,0]=4 15558 B15R1.1240 CCCC1COCCN1C(=O)COCC 527a_102495339903_100000211967 [0,1,0,1,0,0|2,0,0]=4 15559 B15R1.1240 CCCC1COCCN1C(=O)CSCC 11a_102495339903_100000230394 [0,1,0,1,0,0|2,0,0]=4 15560 B15R1.1240 CCCC1COCCN1C(=O)CSCC 1626a_102495339903_100000230394 [0,1,0,1,0,0|2,0,0]=4 15561 B15R1.1240 CCCC1COCCN1C(=O)CSCC 240690a_102495339903_100000230394 [0,1,0,1,0,0|2,0,0]=4 15562 B15R1.1240 CCCC1COCCN1C(=O)CSCC 527a_102495339903_100000230394 [0,1,0,1,0,0|2,0,0]=4 15563 B15R1.1240 CCCCC(=O)C1CCCCN1CCC 1458a_100000743559_100000210211 [0,1,0,1,0,0|2,0,0]=4 15564 B15R1.1240 CCCCC(=O)N1CCCCC1CCC 11a_100000701414_100000210183 [0,1,0,1,0,0|1,0,0]=3 15565 B15R1.1240 CCCCC(=O)N1CCCCC1CCC 1626a_100000701414_100000210183 [0,1,0,1,0,0|1,0,0]=3 15566 B15R1.1240 CCCCC(=O)N1CCCCC1CCC 240690a_100000701414_100000210183 [0,1,0,1,0,0|1,0,0]=3 15567 B15R1.1240 CCCCC(=O)N1CCCCC1CCC 527a_100000701414_100000210183 [0,1,0,1,0,0|1,0,0]=3 15568 B15R1.1240 CCCCC(=O)N1CCCCC1CCO 240690a_100000211664_100000210183 [0,1,0,1,0,0|2,0,0]=4 15569 B15R1.1240 CCCCC(=O)N1CCCCC1COC 11a_100015184032_100000210183 [0,1,0,1,0,0|2,0,0]=4 15570 B15R1.1240 CCCCC(=O)N1CCCCC1COC 1626a_100015184032_100000210183 [0,1,0,1,0,0|2,0,0]=4 15571 B15R1.1240 CCCCC(=O)N1CCCCC1COC 240690a_100015184032_100000210183 [0,1,0,1,0,0|2,0,0]=4 15572 B15R1.1240 CCCCC(=O)N1CCCCC1COC 527a_100015184032_100000210183 [0,1,0,1,0,0|2,0,0]=4 15573 B15R1.1240 CCCCC(=O)N1CCOCC1CCC 11a_102495339903_100000210183 [0,1,0,1,0,0|2,0,0]=4 15574 B15R1.1240 CCCCC(=O)N1CCOCC1CCC 1626a_102495339903_100000210183 [0,1,0,1,0,0|2,0,0]=4 15575 B15R1.1240 CCCCC(=O)N1CCOCC1CCC 240690a_102495339903_100000210183 [0,1,0,1,0,0|2,0,0]=4 15576 B15R1.1240 CCCCC(=O)N1CCOCC1CCC 527a_102495339903_100000210183 [0,1,0,1,0,0|2,0,0]=4 15577 B15R1.1240 CCCN1CCCCC1C(=O)CCCF 1458a_100000743559_100011934791 [0,1,0,1,0,0|2,0,0]=4 15578 B15R1.1240 CCCN1CCCCC1C(=O)CCCO 1458a_100000743559_100011215043 [0,1,0,1,0,0|2,0,0]=4 15579 B15R1.1240 CCCN1CCCCC1C(=O)CCOC 1458a_100000743559_100000233755 [0,1,0,1,0,0|2,0,0]=4 15580 B15R1.1240 CCCN1CCCCC1C(=O)CCSC 1458a_100000743559_100000751147 [0,1,0,1,0,0|2,0,0]=4 15581 B15R1.1240 CCCNC(=O)C1CCCCN1CCC 240690a_100020643023_100000743559 [0,1,0,1,0,0|2,0,0]=4 15582 B15R1.1240 CCCNC(=O)N1CCCCC1CCC 2708a_100020643023_100000701414 [0,1,0,1,0,0|1,0,0]=3 15583 B15R1.1240 CCCNC(=O)N1CCCCC1CCC 273464a_100020643023_100000701414 [0,1,0,1,0,0|1,0,0]=3 15584 B15R1.1240 CCCNC(=O)N1CCCCC1CCO 2708a_100020643023_100000211664 [0,1,0,1,0,0|2,0,0]=4 15585 B15R1.1240 CCCNC(=O)N1CCCCC1CCO 273464a_100020643023_100000211664 [0,1,0,1,0,0|2,0,0]=4 15586 B15R1.1240 CCCNC(=O)N1CCCCC1COC 2708a_100020643023_100015184032 [0,1,0,1,0,0|2,0,0]=4 15587 B15R1.1240 CCCNC(=O)N1CCCCC1COC 273464a_100020643023_100015184032 [0,1,0,1,0,0|2,0,0]=4 15588 B15R1.1240 CCCNC(=O)N1CCOCC1CCC 2708a_100020643023_102495339903 [0,1,0,1,0,0|2,0,0]=4 15589 B15R1.1240 CCCNC(=O)N1CCOCC1CCC 273464a_100020643023_102495339903 [0,1,0,1,0,0|2,0,0]=4 15590 B15R1.1240 CCOCC(=O)N1CCCCC1CCO 240690a_100000211664_100000211967 [0,1,0,1,0,0|2,0,0]=4 15591 B15R1.1240 CCOCC(=O)N1CCCCC1COC 11a_100015184032_100000211967 [0,1,0,1,0,0|2,0,0]=4 15592 B15R1.1240 CCOCC(=O)N1CCCCC1COC 1626a_100015184032_100000211967 [0,1,0,1,0,0|2,0,0]=4 15593 B15R1.1240 CCOCC(=O)N1CCCCC1COC 240690a_100015184032_100000211967 [0,1,0,1,0,0|2,0,0]=4 15594 B15R1.1240 CCOCC(=O)N1CCCCC1COC 527a_100015184032_100000211967 [0,1,0,1,0,0|2,0,0]=4 15595 B15R1.1240 CCSCC(=O)N1CCCCC1CCO 240690a_100000211664_100000230394 [0,1,0,1,0,0|2,0,0]=4 15596 B15R1.1240 CCSCC(=O)N1CCCCC1COC 11a_100015184032_100000230394 [0,1,0,1,0,0|2,0,0]=4 15597 B15R1.1240 CCSCC(=O)N1CCCCC1COC 1626a_100015184032_100000230394 [0,1,0,1,0,0|2,0,0]=4 15598 B15R1.1240 CCSCC(=O)N1CCCCC1COC 240690a_100015184032_100000230394 [0,1,0,1,0,0|2,0,0]=4 15599 B15R1.1240 CCSCC(=O)N1CCCCC1COC 527a_100015184032_100000230394 [0,1,0,1,0,0|2,0,0]=4 15600 B15R1.1240 COCC1CCCCN1C(=O)CCSC 11a_100015184032_100000174002 [0,1,0,1,0,0|2,0,0]=4 15601 B15R1.1240 COCC1CCCCN1C(=O)CCSC 1626a_100015184032_100000174002 [0,1,0,1,0,0|2,0,0]=4 15602 B15R1.1240 COCC1CCCCN1C(=O)CCSC 240690a_100015184032_100000174002 [0,1,0,1,0,0|2,0,0]=4 15603 B15R1.1240 COCC1CCCCN1C(=O)CCSC 527a_100015184032_100000174002 [0,1,0,1,0,0|2,0,0]=4 15604 B15R1.1240 COCCC(=O)N1CCCCC1CCO 240690a_100000211664_100000749529 [0,1,0,1,0,0|2,0,0]=4 15605 B15R1.1240 COCCC(=O)N1CCCCC1COC 11a_100015184032_100000749529 [0,1,0,1,0,0|2,0,0]=4 15606 B15R1.1240 COCCC(=O)N1CCCCC1COC 1626a_100015184032_100000749529 [0,1,0,1,0,0|2,0,0]=4 15607 B15R1.1240 COCCC(=O)N1CCCCC1COC 240690a_100015184032_100000749529 [0,1,0,1,0,0|2,0,0]=4 15608 B15R1.1240 COCCC(=O)N1CCCCC1COC 527a_100015184032_100000749529 [0,1,0,1,0,0|2,0,0]=4 15609 B15R1.1240 CSCCC(=O)N1CCCCC1CCO 240690a_100000211664_100000174002 [0,1,0,1,0,0|2,0,0]=4 15610 B15R1.2178 C#CCCC(=O)N1CCCCCCCC1 11a_100000039187_100000692101 [0,1,0,1,0,0|1,0,1]=4 15611 B15R1.2178 C#CCCC(=O)N1CCCCCCCC1 1626a_100000039187_100000692101 [0,1,0,1,0,0|1,0,1]=4 15612 B15R1.2178 C#CCCC(=O)N1CCCCCCCC1 240690a_100000039187_100000692101 [0,1,0,1,0,0|1,0,1]=4 15613 B15R1.2178 C#CCCC(=O)N1CCCCCCCC1 527a_100000039187_100000692101 [0,1,0,1,0,0|1,0,1]=4 15614 B15R1.2178 C=CCCC(=O)N1CCCCCCCC1 11a_100000039187_100000749702 [0,1,0,1,0,0|1,0,1]=4 15615 B15R1.2178 C=CCCC(=O)N1CCCCCCCC1 1626a_100000039187_100000749702 [0,1,0,1,0,0|1,0,1]=4 15616 B15R1.2178 C=CCCC(=O)N1CCCCCCCC1 240690a_100000039187_100000749702 [0,1,0,1,0,0|1,0,1]=4 15617 B15R1.2178 C=CCCC(=O)N1CCCCCCCC1 527a_100000039187_100000749702 [0,1,0,1,0,0|1,0,1]=4 15618 B15R1.2178 CC=CCC(=O)N1CCCCCCCC1 11a_100000039187_100121576822 [0,1,0,1,0,0|1,0,1]=4 15619 B15R1.2178 CC=CCC(=O)N1CCCCCCCC1 1626a_100000039187_100121576822 [0,1,0,1,0,0|1,0,1]=4 15620 B15R1.2178 CC=CCC(=O)N1CCCCCCCC1 240690a_100000039187_100121576822 [0,1,0,1,0,0|1,0,1]=4 15621 B15R1.2178 CC=CCC(=O)N1CCCCCCCC1 527a_100000039187_100121576822 [0,1,0,1,0,0|1,0,1]=4 15622 B15R1.2178 CCC=CC(=O)N1CCCCCCCC1 11a_100000039187_100000212282 [0,1,0,1,0,0|1,0,1]=4 15623 B15R1.2178 CCC=CC(=O)N1CCCCCCCC1 1626a_100000039187_100000212282 [0,1,0,1,0,0|1,0,1]=4 15624 B15R1.2178 CCC=CC(=O)N1CCCCCCCC1 240690a_100000039187_100000212282 [0,1,0,1,0,0|1,0,1]=4 15625 B15R1.2178 CCCCC(=O)N1CCCCCCCC1 11a_100000039187_100000210183 [0,1,0,1,0,0|1,0,0]=3 15626 B15R1.2178 CCCCC(=O)N1CCCCCCCC1 1626a_100000039187_100000210183 [0,1,0,1,0,0|1,0,0]=3 15627 B15R1.2178 CCCCC(=O)N1CCCCCCCC1 240690a_100000039187_100000210183 [0,1,0,1,0,0|1,0,0]=3 15628 B15R1.2178 CCCCC(=O)N1CCCCCCCC1 527a_100000039187_100000210183 [0,1,0,1,0,0|1,0,0]=3 15629 B15R1.2178 CCCNC(=O)N1CCCCCCCC1 2708a_100020643023_100000039187 [0,1,0,1,0,0|1,0,0]=3 15630 B15R1.2178 CCCNC(=O)N1CCCCCCCC1 273464a_100020643023_100000039187 [0,1,0,1,0,0|1,0,0]=3 15631 B15R1.2178 CCOCC(=O)N1CCCCCCCC1 11a_100000039187_100000211967 [0,1,0,1,0,0|1,0,0]=3 15632 B15R1.2178 CCOCC(=O)N1CCCCCCCC1 1626a_100000039187_100000211967 [0,1,0,1,0,0|1,0,0]=3 15633 B15R1.2178 CCOCC(=O)N1CCCCCCCC1 240690a_100000039187_100000211967 [0,1,0,1,0,0|1,0,0]=3 15634 B15R1.2178 CCOCC(=O)N1CCCCCCCC1 527a_100000039187_100000211967 [0,1,0,1,0,0|1,0,0]=3 15635 B15R1.2178 CCSCC(=O)N1CCCCCCCC1 11a_100000039187_100000230394 [0,1,0,1,0,0|1,0,0]=3 15636 B15R1.2178 CCSCC(=O)N1CCCCCCCC1 1626a_100000039187_100000230394 [0,1,0,1,0,0|1,0,0]=3 15637 B15R1.2178 CCSCC(=O)N1CCCCCCCC1 240690a_100000039187_100000230394 [0,1,0,1,0,0|1,0,0]=3 15638 B15R1.2178 CCSCC(=O)N1CCCCCCCC1 527a_100000039187_100000230394 [0,1,0,1,0,0|1,0,0]=3 15639 B15R1.2178 COCCC(=O)N1CCCCCCCC1 11a_100000039187_100000749529 [0,1,0,1,0,0|1,0,0]=3 15640 B15R1.2178 COCCC(=O)N1CCCCCCCC1 1626a_100000039187_100000749529 [0,1,0,1,0,0|1,0,0]=3 15641 B15R1.2178 COCCC(=O)N1CCCCCCCC1 240690a_100000039187_100000749529 [0,1,0,1,0,0|1,0,0]=3 15642 B15R1.2178 COCCC(=O)N1CCCCCCCC1 527a_100000039187_100000749529 [0,1,0,1,0,0|1,0,0]=3 15643 B15R1.2178 CSCCC(=O)N1CCCCCCCC1 11a_100000039187_100000174002 [0,1,0,1,0,0|1,0,0]=3 15644 B15R1.2178 CSCCC(=O)N1CCCCCCCC1 1626a_100000039187_100000174002 [0,1,0,1,0,0|1,0,0]=3 15645 B15R1.2178 CSCCC(=O)N1CCCCCCCC1 240690a_100000039187_100000174002 [0,1,0,1,0,0|1,0,0]=3 15646 B15R1.2178 CSCCC(=O)N1CCCCCCCC1 527a_100000039187_100000174002 [0,1,0,1,0,0|1,0,0]=3 15647 B15R1.2178 N#CCCC(=O)N1CCCCCCCC1 11a_100000039187_100011934036 [0,1,0,1,0,0|1,0,1]=4 15648 B15R1.2178 N#CCCC(=O)N1CCCCCCCC1 1626a_100000039187_100011934036 [0,1,0,1,0,0|1,0,1]=4 15649 B15R1.2178 N#CCCC(=O)N1CCCCCCCC1 240690a_100000039187_100011934036 [0,1,0,1,0,0|1,0,1]=4 15650 B15R1.2178 N#CCCC(=O)N1CCCCCCCC1 527a_100000039187_100011934036 [0,1,0,1,0,0|1,0,1]=4 15651 B15R1.2178 O=C(NCCF)N1CCCCCCCC1 273464a_100000724931_100000039187 [0,1,0,1,0,0|2,0,0]=4 15652 B15R1.2178 O=C(NCCO)N1CCCCCCCC1 273464a_100000210304_100000039187 [0,1,0,1,0,0|2,0,0]=4 15653 B15R1.2207 C#CCCC(=O)NCC1CCCCCC1 11a_100015204231_100000692101 [0,1,0,1,0,0|1,0,1]=4 15654 B15R1.2207 C#CCCC(=O)NCC1CCCCCC1 1626a_100015204231_100000692101 [0,1,0,1,0,0|1,0,1]=4 15655 B15R1.2207 C#CCCC(=O)NCC1CCCCCC1 240690a_100015204231_100000692101 [0,1,0,1,0,0|1,0,1]=4 15656 B15R1.2207 C#CCCC(=O)NCC1CCCCCC1 527a_100015204231_100000692101 [0,1,0,1,0,0|1,0,1]=4 15657 B15R1.2207 C=CCCC(=O)NCC1CCCCCC1 11a_100015204231_100000749702 [0,1,0,1,0,0|1,0,1]=4 15658 B15R1.2207 C=CCCC(=O)NCC1CCCCCC1 1626a_100015204231_100000749702 [0,1,0,1,0,0|1,0,1]=4 15659 B15R1.2207 C=CCCC(=O)NCC1CCCCCC1 240690a_100015204231_100000749702 [0,1,0,1,0,0|1,0,1]=4 15660 B15R1.2207 C=CCCC(=O)NCC1CCCCCC1 527a_100015204231_100000749702 [0,1,0,1,0,0|1,0,1]=4 15661 B15R1.2207 CC(CCCCl)OCC1CCCCCC1 34a_200000718107_200000696569 [0,1,0,1,0,0|1,0,1]=4 15662 B15R1.2207 CC(CCCCl)OCC1CCCCCC1 7a_200000718107_200000696569 [0,1,0,1,0,0|1,0,1]=4 15663 B15R1.2207 CC=CCC(=O)NCC1CCCCCC1 11a_100015204231_100121576822 [0,1,0,1,0,0|1,0,1]=4 15664 B15R1.2207 CC=CCC(=O)NCC1CCCCCC1 1626a_100015204231_100121576822 [0,1,0,1,0,0|1,0,1]=4 15665 B15R1.2207 CC=CCC(=O)NCC1CCCCCC1 240690a_100015204231_100121576822 [0,1,0,1,0,0|1,0,1]=4 15666 B15R1.2207 CC=CCC(=O)NCC1CCCCCC1 527a_100015204231_100121576822 [0,1,0,1,0,0|1,0,1]=4 15667 B15R1.2207 CCC=CC(=O)NCC1CCCCCC1 11a_100015204231_100000212282 [0,1,0,1,0,0|1,0,1]=4 15668 B15R1.2207 CCC=CC(=O)NCC1CCCCCC1 1626a_100015204231_100000212282 [0,1,0,1,0,0|1,0,1]=4 15669 B15R1.2207 CCC=CC(=O)NCC1CCCCCC1 240690a_100015204231_100000212282 [0,1,0,1,0,0|1,0,1]=4 15670 B15R1.2207 CCCCC(=O)CCN1CCCCCC1 1458a_100000210183_100000722644 [0,1,0,1,0,0|2,0,0]=4 15671 B15R1.2207 CCCCC(=O)CCN1CCCCCC1 1458a_100000740320_100000210211 [0,1,0,1,0,0|2,0,0]=4 15672 B15R1.2207 CCCCC(=O)NCC1CCCCCC1 11a_100015204231_100000210183 [0,1,0,1,0,0|1,0,0]=3 15673 B15R1.2207 CCCCC(=O)NCC1CCCCCC1 1626a_100015204231_100000210183 [0,1,0,1,0,0|1,0,0]=3 15674 B15R1.2207 CCCCC(=O)NCC1CCCCCC1 240690a_100015204231_100000210183 [0,1,0,1,0,0|1,0,0]=3 15675 B15R1.2207 CCCCC(=O)NCC1CCCCCC1 527a_100015204231_100000210183 [0,1,0,1,0,0|1,0,0]=3 15676 B15R1.2207 CCCCC(C)OCC1CCCCCC1 34a_100000687866_200000696569 [0,1,0,1,0,0|1,0,1]=4 15677 B15R1.2207 CCCCC(C)OCC1CCCCCC1 34a_100000699130_200011215066 [0,1,0,1,0,0|1,0,1]=4 15678 B15R1.2207 CCCCC(C)OCC1CCCCCC1 7a_100000687866_200000696569 [0,1,0,1,0,0|1,0,1]=4 15679 B15R1.2207 CCCCC(C)OCC1CCCCCC1 7a_100000699130_200011215066 [0,1,0,1,0,0|1,0,1]=4 15680 B15R1.2207 CCCNC(=O)CCN1CCCCCC1 240690a_100020643023_100000740320 [0,1,0,1,0,0|2,0,0]=4 15681 B15R1.2207 CCCNC(=O)CNC1CCCCCC1 2230a_100000210984_100000183358 [0,1,0,1,0,0|2,0,0]=4 15682 B15R1.2207 CCCNC(=O)CNC1CCCCCC1 270004a_100000174927_100000210131 [0,1,0,1,0,0|2,0,0]=4 15683 B15R1.2207 CCCNC(=O)CNC1CCCCCC1 34a_100000210984_100000183358 [0,1,0,1,0,0|2,0,0]=4 15684 B15R1.2207 CCCNC(=O)COC1CCCCCC1 34a_100000210887_100000183358 [0,1,0,1,0,0|2,0,0]=4 15685 B15R1.2207 CCCNC(=O)COC1CCCCCC1 7a_100000210887_100000183358 [0,1,0,1,0,0|2,0,0]=4 15686 B15R1.2207 CCCNC(=O)CSC1CCCCCC1 62a_100000183358_100011217769 [0,1,0,1,0,0|2,0,0]=4 15687 B15R1.2207 CCCNC(=O)CSC1CCCCCC1 62a_100011217769_100000183358 [0,1,0,1,0,0|2,0,0]=4 15688 B15R1.2207 CCCNC(=O)NCC1CCCCCC1 2708a_100015204231_100020643023 [0,1,0,1,0,0|1,0,0]=3 15689 B15R1.2207 CCCNC(=O)NCC1CCCCCC1 2708a_100020643023_100015204231 [0,1,0,1,0,0|1,0,0]=3 15690 B15R1.2207 CCCNC(=O)NCC1CCCCCC1 273464a_100015204231_100020643023 [0,1,0,1,0,0|1,0,0]=3 15691 B15R1.2207 CCCNC(=O)NCC1CCCCCC1 273464a_100020643023_100015204231 [0,1,0,1,0,0|1,0,0]=3 15692 B15R1.2207 CCCNC(=O)NCC1CCCCCC1 512a_100020643023_100015204231 [0,1,0,1,0,0|1,0,0]=3 15693 B15R1.2207 CCCOC(=O)CNC1CCCCCC1 2230a_100000210984_200011215008 [0,1,0,1,0,0|2,0,0]=4 15694 B15R1.2207 CCCOC(=O)CNC1CCCCCC1 34a_100000210984_200011215008 [0,1,0,1,0,0|2,0,0]=4 15695 B15R1.2207 CCCOC(=O)COC1CCCCCC1 34a_100000210887_200011215008 [0,1,0,1,0,0|2,0,0]=4 15696 B15R1.2207 CCCOC(=O)COC1CCCCCC1 7a_100000210887_200011215008 [0,1,0,1,0,0|2,0,0]=4 15697 B15R1.2207 CCCOC(=O)CSC1CCCCCC1 62a_100011217769_200011215008 [0,1,0,1,0,0|2,0,0]=4 15698 B15R1.2207 CCCOC(=O)CSC1CCCCCC1 62a_200011215008_100011217769 [0,1,0,1,0,0|2,0,0]=4 15699 B15R1.2207 CCCOC(=O)OCN1CCCCCC1 269982a_100000185865_200000139673 [0,1,0,1,0,0|1,0,0]=3 15700 B15R1.2207 CCCOC(=O)OCN1CCCCCC1 34a_100000185865_200000139673 [0,1,0,1,0,0|1,0,0]=3 15701 B15R1.2207 CCCOC(=O)OCN1CCCOCC1 269982a_100000685342_200000139673 [0,1,0,1,0,0|2,0,0]=4 15702 B15R1.2207 CCCOC(=O)OCN1CCCOCC1 34a_100000685342_200000139673 [0,1,0,1,0,0|2,0,0]=4 15703 B15R1.2207 CCNNC(=O)NCC1CCCCCC1 273464a_100015204231_100000756455 [0,1,0,1,0,0|2,0,0]=4 15704 B15R1.2207 CCNNC(=O)NCC1CCCCCC1 512a_100000756455_100015204231 [0,1,0,1,0,0|2,0,0]=4 15705 B15R1.2207 CCOCC(=O)CCN1CCCCCC1 1458a_100000211967_100000722644 [0,1,0,1,0,0|2,0,0]=4 15706 B15R1.2207 CCOCC(=O)NCC1CCCCCC1 11a_100015204231_100000211967 [0,1,0,1,0,0|1,0,0]=3 15707 B15R1.2207 CCOCC(=O)NCC1CCCCCC1 1626a_100015204231_100000211967 [0,1,0,1,0,0|1,0,0]=3 15708 B15R1.2207 CCOCC(=O)NCC1CCCCCC1 240690a_100015204231_100000211967 [0,1,0,1,0,0|1,0,0]=3 15709 B15R1.2207 CCOCC(=O)NCC1CCCCCC1 527a_100015204231_100000211967 [0,1,0,1,0,0|1,0,0]=3 15710 B15R1.2207 CCOCC(C)OCC1CCCCCC1 34a_100000718985_200000696569 [0,1,0,1,0,0|1,0,1]=4 15711 B15R1.2207 CCOCC(C)OCC1CCCCCC1 7a_100000718985_200000696569 [0,1,0,1,0,0|1,0,1]=4 15712 B15R1.2207 CCSCC(=O)CCN1CCCCCC1 1458a_100000230394_100000722644 [0,1,0,1,0,0|2,0,0]=4 15713 B15R1.2207 CCSCC(=O)NCC1CCCCCC1 11a_100015204231_100000230394 [0,1,0,1,0,0|1,0,0]=3 15714 B15R1.2207 CCSCC(=O)NCC1CCCCCC1 1626a_100015204231_100000230394 [0,1,0,1,0,0|1,0,0]=3 15715 B15R1.2207 CCSCC(=O)NCC1CCCCCC1 240690a_100015204231_100000230394 [0,1,0,1,0,0|1,0,0]=3 15716 B15R1.2207 CCSCC(=O)NCC1CCCCCC1 527a_100015204231_100000230394 [0,1,0,1,0,0|1,0,0]=3 15717 B15R1.2207 COCCC(=O)CCN1CCCCCC1 1458a_100000740320_100000233755 [0,1,0,1,0,0|2,0,0]=4 15718 B15R1.2207 COCCC(=O)CCN1CCCCCC1 1458a_100000749529_100000722644 [0,1,0,1,0,0|2,0,0]=4 15719 B15R1.2207 COCCC(=O)NCC1CCCCCC1 11a_100015204231_100000749529 [0,1,0,1,0,0|1,0,0]=3 15720 B15R1.2207 COCCC(=O)NCC1CCCCCC1 1626a_100015204231_100000749529 [0,1,0,1,0,0|1,0,0]=3 15721 B15R1.2207 COCCC(=O)NCC1CCCCCC1 240690a_100015204231_100000749529 [0,1,0,1,0,0|1,0,0]=3 15722 B15R1.2207 COCCC(=O)NCC1CCCCCC1 527a_100015204231_100000749529 [0,1,0,1,0,0|1,0,0]=3 15723 B15R1.2207 CSCCC(=O)CCN1CCCCCC1 1458a_100000174002_100000722644 [0,1,0,1,0,0|2,0,0]=4 15724 B15R1.2207 CSCCC(=O)CCN1CCCCCC1 1458a_100000740320_100000751147 [0,1,0,1,0,0|2,0,0]=4 15725 B15R1.2207 CSCCC(=O)NCC1CCCCCC1 11a_100015204231_100000174002 [0,1,0,1,0,0|1,0,0]=3 15726 B15R1.2207 CSCCC(=O)NCC1CCCCCC1 1626a_100015204231_100000174002 [0,1,0,1,0,0|1,0,0]=3 15727 B15R1.2207 CSCCC(=O)NCC1CCCCCC1 240690a_100015204231_100000174002 [0,1,0,1,0,0|1,0,0]=3 15728 B15R1.2207 CSCCC(=O)NCC1CCCCCC1 527a_100015204231_100000174002 [0,1,0,1,0,0|1,0,0]=3 15729 B15R1.2207 N#CCCC(=O)NCC1CCCCCC1 11a_100015204231_100011934036 [0,1,0,1,0,0|1,0,1]=4 15730 B15R1.2207 N#CCCC(=O)NCC1CCCCCC1 1626a_100015204231_100011934036 [0,1,0,1,0,0|1,0,1]=4 15731 B15R1.2207 N#CCCC(=O)NCC1CCCCCC1 240690a_100015204231_100011934036 [0,1,0,1,0,0|1,0,1]=4 15732 B15R1.2207 N#CCCC(=O)NCC1CCCCCC1 527a_100015204231_100011934036 [0,1,0,1,0,0|1,0,1]=4 15733 B15R1.2207 O=C(CCCF)CCN1CCCCCC1 1458a_100000740320_100011934791 [0,1,0,1,0,0|2,0,0]=4 15734 B15R1.2207 O=C(CCCO)CCN1CCCCCC1 1458a_100000740320_100011215043 [0,1,0,1,0,0|2,0,0]=4 15735 B15R1.2207 O=C(NCCF)NCC1CCCCCC1 2708a_100015204231_100000724931 [0,1,0,1,0,0|2,0,0]=4 15736 B15R1.2207 O=C(NCCF)NCC1CCCCCC1 273464a_100000724931_100015204231 [0,1,0,1,0,0|2,0,0]=4 15737 B15R1.2207 O=C(NCCF)NCC1CCCCCC1 273464a_100015204231_100000724931 [0,1,0,1,0,0|2,0,0]=4 15738 B15R1.2207 O=C(NCCO)NCC1CCCCCC1 2708a_100015204231_100000210304 [0,1,0,1,0,0|2,0,0]=4 15739 B15R1.2207 O=C(NCCO)NCC1CCCCCC1 273464a_100000210304_100015204231 [0,1,0,1,0,0|2,0,0]=4 15740 B15R1.2207 O=C(NCCO)NCC1CCCCCC1 273464a_100015204231_100000210304 [0,1,0,1,0,0|2,0,0]=4 15741 B15R1.2230 CCCNC(=O)CCCOCCC1CC1 7a_100000754188_100011194427 [0,1,0,1,0,0|2,0,0]=4 15742 B15R1.2230 CCCNC(=O)CCCSCCC1CC1 62a_100000764125_100011194427 [0,1,0,1,0,0|2,0,0]=4 15743 B15R1.2230 CCCNC(=O)CCCSCCC1CC1 62a_100011194427_100000764125 [0,1,0,1,0,0|2,0,0]=4 15744 B15R1.2230 CCCOC(=O)OCOCCNC1CC1 34a_100000738766_200000139673 [0,1,0,1,0,0|2,0,0]=4 15745 B15R1.2230 CCCOC(=O)OCSCCCC1CO1 62a_100000733510_200000139673 [0,1,0,1,0,0|2,0,0]=4 15746 B15R1.2430 C#CCCC(=O)NC1CCCCCCC1 11a_100000211152_100000692101 [0,1,0,1,0,0|1,0,1]=4 15747 B15R1.2430 C#CCCC(=O)NC1CCCCCCC1 1626a_100000211152_100000692101 [0,1,0,1,0,0|1,0,1]=4 15748 B15R1.2430 C#CCCC(=O)NC1CCCCCCC1 240690a_100000211152_100000692101 [0,1,0,1,0,0|1,0,1]=4 15749 B15R1.2430 C#CCCC(=O)NC1CCCCCCC1 527a_100000211152_100000692101 [0,1,0,1,0,0|1,0,1]=4 15750 B15R1.2430 C=CCCC(=O)NC1CCCCCCC1 11a_100000211152_100000749702 [0,1,0,1,0,0|1,0,1]=4 15751 B15R1.2430 C=CCCC(=O)NC1CCCCCCC1 1626a_100000211152_100000749702 [0,1,0,1,0,0|1,0,1]=4 15752 B15R1.2430 C=CCCC(=O)NC1CCCCCCC1 240690a_100000211152_100000749702 [0,1,0,1,0,0|1,0,1]=4 15753 B15R1.2430 C=CCCC(=O)NC1CCCCCCC1 527a_100000211152_100000749702 [0,1,0,1,0,0|1,0,1]=4 15754 B15R1.2430 CC=CCC(=O)NC1CCCCCCC1 11a_100000211152_100121576822 [0,1,0,1,0,0|1,0,1]=4 15755 B15R1.2430 CC=CCC(=O)NC1CCCCCCC1 1626a_100000211152_100121576822 [0,1,0,1,0,0|1,0,1]=4 15756 B15R1.2430 CC=CCC(=O)NC1CCCCCCC1 240690a_100000211152_100121576822 [0,1,0,1,0,0|1,0,1]=4 15757 B15R1.2430 CC=CCC(=O)NC1CCCCCCC1 527a_100000211152_100121576822 [0,1,0,1,0,0|1,0,1]=4 15758 B15R1.2430 CCC=CC(=O)NC1CCCCCCC1 11a_100000211152_100000212282 [0,1,0,1,0,0|1,0,1]=4 15759 B15R1.2430 CCC=CC(=O)NC1CCCCCCC1 1626a_100000211152_100000212282 [0,1,0,1,0,0|1,0,1]=4 15760 B15R1.2430 CCC=CC(=O)NC1CCCCCCC1 240690a_100000211152_100000212282 [0,1,0,1,0,0|1,0,1]=4 15761 B15R1.2430 CCCCC(=O)NC1CCCCCCC1 11a_100000211152_100000210183 [0,1,0,1,0,0|1,0,0]=3 15762 B15R1.2430 CCCCC(=O)NC1CCCCCCC1 1626a_100000211152_100000210183 [0,1,0,1,0,0|1,0,0]=3 15763 B15R1.2430 CCCCC(=O)NC1CCCCCCC1 240690a_100000211152_100000210183 [0,1,0,1,0,0|1,0,0]=3 15764 B15R1.2430 CCCCC(=O)NC1CCCCCCC1 527a_100000211152_100000210183 [0,1,0,1,0,0|1,0,0]=3 15765 B15R1.2430 CCCCC(C)OC1CCCCCCC1 34a_100000210054_200011215066 [0,1,0,1,0,0|1,0,1]=4 15766 B15R1.2430 CCCCC(C)OC1CCCCCCC1 7a_100000210054_200011215066 [0,1,0,1,0,0|1,0,1]=4 15767 B15R1.2430 CCCNC(=O)CN1CCCCCCC1 2230a_100000211400_100000183358 [0,1,0,1,0,0|2,0,0]=4 15768 B15R1.2430 CCCNC(=O)CN1CCCCCCC1 269982a_100000211400_100000183358 [0,1,0,1,0,0|2,0,0]=4 15769 B15R1.2430 CCCNC(=O)CN1CCCCCCC1 34a_100000211400_100000183358 [0,1,0,1,0,0|2,0,0]=4 15770 B15R1.2430 CCCNC(=O)NC1CCCCCCC1 2708a_100000211152_100020643023 [0,1,0,1,0,0|1,0,0]=3 15771 B15R1.2430 CCCNC(=O)NC1CCCCCCC1 2708a_100020643023_100000211152 [0,1,0,1,0,0|1,0,0]=3 15772 B15R1.2430 CCCNC(=O)NC1CCCCCCC1 273464a_100000211152_100020643023 [0,1,0,1,0,0|1,0,0]=3 15773 B15R1.2430 CCCNC(=O)NC1CCCCCCC1 273464a_100020643023_100000211152 [0,1,0,1,0,0|1,0,0]=3 15774 B15R1.2430 CCCNC(=O)NC1CCCCCCC1 512a_100000211152_100020643023 [0,1,0,1,0,0|1,0,0]=3 15775 B15R1.2430 CCCNC(=O)NC1CCCCCCC1 512a_100020643023_100000211152 [0,1,0,1,0,0|1,0,0]=3 15776 B15R1.2430 CCCOC(=O)CN1CCCCCCC1 2230a_100000211400_200011215008 [0,1,0,1,0,0|2,0,0]=4 15777 B15R1.2430 CCCOC(=O)CN1CCCCCCC1 269982a_100000211400_200011215008 [0,1,0,1,0,0|2,0,0]=4 15778 B15R1.2430 CCCOC(=O)CN1CCCCCCC1 34a_100000211400_200011215008 [0,1,0,1,0,0|2,0,0]=4 15779 B15R1.2430 CCNCC(=O)NC1CCCCCCC1 2230a_100015525214_100000183010 [0,1,0,1,0,0|1,0,0]=3 15780 B15R1.2430 CCNNC(=O)NC1CCCCCCC1 273464a_100000211152_100000756455 [0,1,0,1,0,0|2,0,0]=4 15781 B15R1.2430 CCNNC(=O)NC1CCCCCCC1 512a_100000211152_100000756455 [0,1,0,1,0,0|2,0,0]=4 15782 B15R1.2430 CCNNC(=O)NC1CCCCCCC1 512a_100000756455_100000211152 [0,1,0,1,0,0|2,0,0]=4 15783 B15R1.2430 CCOCC(=O)NC1CCCCCCC1 11a_100000211152_100000211967 [0,1,0,1,0,0|1,0,0]=3 15784 B15R1.2430 CCOCC(=O)NC1CCCCCCC1 1626a_100000211152_100000211967 [0,1,0,1,0,0|1,0,0]=3 15785 B15R1.2430 CCOCC(=O)NC1CCCCCCC1 240690a_100000211152_100000211967 [0,1,0,1,0,0|1,0,0]=3 15786 B15R1.2430 CCOCC(=O)NC1CCCCCCC1 34a_100121572206_100000183010 [0,1,0,1,0,0|1,0,0]=3 15787 B15R1.2430 CCOCC(=O)NC1CCCCCCC1 527a_100000211152_100000211967 [0,1,0,1,0,0|1,0,0]=3 15788 B15R1.2430 CCSCC(=O)NC1CCCCCCC1 11a_100000211152_100000230394 [0,1,0,1,0,0|1,0,0]=3 15789 B15R1.2430 CCSCC(=O)NC1CCCCCCC1 1626a_100000211152_100000230394 [0,1,0,1,0,0|1,0,0]=3 15790 B15R1.2430 CCSCC(=O)NC1CCCCCCC1 240690a_100000211152_100000230394 [0,1,0,1,0,0|1,0,0]=3 15791 B15R1.2430 CCSCC(=O)NC1CCCCCCC1 527a_100000211152_100000230394 [0,1,0,1,0,0|1,0,0]=3 15792 B15R1.2430 CCSCC(=O)NC1CCCCCCC1 62a_100000183010_100000210202 [0,1,0,1,0,0|1,0,0]=3 15793 B15R1.2430 CCSCC(=O)NC1CCCCCCC1 62a_100000210202_100000183010 [0,1,0,1,0,0|1,0,0]=3 15794 B15R1.2430 COCCC(=O)NC1CCCCCCC1 11a_100000211152_100000749529 [0,1,0,1,0,0|1,0,0]=3 15795 B15R1.2430 COCCC(=O)NC1CCCCCCC1 1626a_100000211152_100000749529 [0,1,0,1,0,0|1,0,0]=3 15796 B15R1.2430 COCCC(=O)NC1CCCCCCC1 240690a_100000211152_100000749529 [0,1,0,1,0,0|1,0,0]=3 15797 B15R1.2430 COCCC(=O)NC1CCCCCCC1 527a_100000211152_100000749529 [0,1,0,1,0,0|1,0,0]=3 15798 B15R1.2430 CSCCC(=O)NC1CCCCCCC1 11a_100000211152_100000174002 [0,1,0,1,0,0|1,0,0]=3 15799 B15R1.2430 CSCCC(=O)NC1CCCCCCC1 1626a_100000211152_100000174002 [0,1,0,1,0,0|1,0,0]=3 15800 B15R1.2430 CSCCC(=O)NC1CCCCCCC1 240690a_100000211152_100000174002 [0,1,0,1,0,0|1,0,0]=3 15801 B15R1.2430 CSCCC(=O)NC1CCCCCCC1 527a_100000211152_100000174002 [0,1,0,1,0,0|1,0,0]=3 15802 B15R1.2430 N#CCCC(=O)NC1CCCCCCC1 11a_100000211152_100011934036 [0,1,0,1,0,0|1,0,1]=4 15803 B15R1.2430 N#CCCC(=O)NC1CCCCCCC1 1626a_100000211152_100011934036 [0,1,0,1,0,0|1,0,1]=4 15804 B15R1.2430 N#CCCC(=O)NC1CCCCCCC1 240690a_100000211152_100011934036 [0,1,0,1,0,0|1,0,1]=4 15805 B15R1.2430 N#CCCC(=O)NC1CCCCCCC1 527a_100000211152_100011934036 [0,1,0,1,0,0|1,0,1]=4 15806 B15R1.2430 O=C(CSCF)NC1CCCCCCC1 62a_100000183010_100015361967 [0,1,0,1,0,0|2,0,0]=4 15807 B15R1.2430 O=C(CSCF)NC1CCCCCCC1 62a_100015361967_100000183010 [0,1,0,1,0,0|2,0,0]=4 15808 B15R1.2430 O=C(NCCF)NC1CCCCCCC1 2708a_100000211152_100000724931 [0,1,0,1,0,0|2,0,0]=4 15809 B15R1.2430 O=C(NCCF)NC1CCCCCCC1 273464a_100000211152_100000724931 [0,1,0,1,0,0|2,0,0]=4 15810 B15R1.2430 O=C(NCCF)NC1CCCCCCC1 273464a_100000724931_100000211152 [0,1,0,1,0,0|2,0,0]=4 15811 B15R1.2430 O=C(NCCF)NC1CCCCCCC1 512a_100000211152_100000724931 [0,1,0,1,0,0|2,0,0]=4 15812 B15R1.2430 O=C(NCCO)NC1CCCCCCC1 2708a_100000211152_100000210304 [0,1,0,1,0,0|2,0,0]=4 15813 B15R1.2430 O=C(NCCO)NC1CCCCCCC1 273464a_100000210304_100000211152 [0,1,0,1,0,0|2,0,0]=4 15814 B15R1.2430 O=C(NCCO)NC1CCCCCCC1 273464a_100000211152_100000210304 [0,1,0,1,0,0|2,0,0]=4 15815 B15R1.2430 O=C(NCCO)NC1CCCCCCC1 512a_100000211152_100000210304 [0,1,0,1,0,0|2,0,0]=4 15816 B15R1.5755 CCCOC(=O)OCN1CCC1COC 269982a_100015195929_200000139673 [0,1,0,1,0,0|2,0,0]=4 15817 B15R1.5755 CCCOC(=O)OCN1CCC1COC 34a_100015195929_200000139673 [0,1,0,1,0,0|2,0,0]=4 15818 B15R1.5925 CCCCC(=O)NC1CCCCC1OC 11a_100011208099_100000210183 [0,1,0,1,0,0|2,0,0]=4 15819 B15R1.5925 CCCCC(=O)NC1CCCCC1OC 1626a_100011208099_100000210183 [0,1,0,1,0,0|2,0,0]=4 15820 B15R1.5925 CCCCC(=O)NC1CCCCC1OC 240690a_100011208099_100000210183 [0,1,0,1,0,0|2,0,0]=4 15821 B15R1.5925 CCCCC(=O)NC1CCCCC1OC 527a_100011208099_100000210183 [0,1,0,1,0,0|2,0,0]=4 15822 B15R1.5925 CCCCC(C)OC1CCCCC1CC 34a_100000210738_200011215066 [0,1,0,1,0,0|1,0,1]=4 15823 B15R1.5925 CCCCC(C)OC1CCCCC1CC 7a_100000210738_200011215066 [0,1,0,1,0,0|1,0,1]=4 15824 B15R1.5925 CCCNC(=O)CN1CCCCC1CC 2230a_100000210034_100000183358 [0,1,0,1,0,0|2,0,0]=4 15825 B15R1.5925 CCCNC(=O)CN1CCCCC1CC 269982a_100000210034_100000183358 [0,1,0,1,0,0|2,0,0]=4 15826 B15R1.5925 CCCNC(=O)CN1CCCCC1CC 34a_100000210034_100000183358 [0,1,0,1,0,0|2,0,0]=4 15827 B15R1.5925 CCCNC(=O)NC1CCCCC1OC 2708a_100011208099_100020643023 [0,1,0,1,0,0|2,0,0]=4 15828 B15R1.5925 CCCNC(=O)NC1CCCCC1OC 2708a_100020643023_100011208099 [0,1,0,1,0,0|2,0,0]=4 15829 B15R1.5925 CCCNC(=O)NC1CCCCC1OC 273464a_100011208099_100020643023 [0,1,0,1,0,0|2,0,0]=4 15830 B15R1.5925 CCCNC(=O)NC1CCCCC1OC 273464a_100020643023_100011208099 [0,1,0,1,0,0|2,0,0]=4 15831 B15R1.5925 CCCNC(=O)NC1CCCCC1OC 512a_100011208099_100020643023 [0,1,0,1,0,0|2,0,0]=4 15832 B15R1.5925 CCCNC(=O)NC1CCCCC1OC 512a_100020643023_100011208099 [0,1,0,1,0,0|2,0,0]=4 15833 B15R1.5925 CCCOC(=O)CN1CCCCC1CC 2230a_100000210034_200011215008 [0,1,0,1,0,0|2,0,0]=4 15834 B15R1.5925 CCCOC(=O)CN1CCCCC1CC 269982a_100000210034_200011215008 [0,1,0,1,0,0|2,0,0]=4 15835 B15R1.5925 CCCOC(=O)CN1CCCCC1CC 34a_100000210034_200011215008 [0,1,0,1,0,0|2,0,0]=4 15836 B15R1.5925 CCOCC(=O)NC1CCCCC1OC 11a_100011208099_100000211967 [0,1,0,1,0,0|2,0,0]=4 15837 B15R1.5925 CCOCC(=O)NC1CCCCC1OC 1626a_100011208099_100000211967 [0,1,0,1,0,0|2,0,0]=4 15838 B15R1.5925 CCOCC(=O)NC1CCCCC1OC 240690a_100011208099_100000211967 [0,1,0,1,0,0|2,0,0]=4 15839 B15R1.5925 CCOCC(=O)NC1CCCCC1OC 527a_100011208099_100000211967 [0,1,0,1,0,0|2,0,0]=4 15840 B15R1.5925 CCSCC(=O)NC1CCCCC1OC 11a_100011208099_100000230394 [0,1,0,1,0,0|2,0,0]=4 15841 B15R1.5925 CCSCC(=O)NC1CCCCC1OC 1626a_100011208099_100000230394 [0,1,0,1,0,0|2,0,0]=4 15842 B15R1.5925 CCSCC(=O)NC1CCCCC1OC 240690a_100011208099_100000230394 [0,1,0,1,0,0|2,0,0]=4 15843 B15R1.5925 CCSCC(=O)NC1CCCCC1OC 527a_100011208099_100000230394 [0,1,0,1,0,0|2,0,0]=4 15844 B15R1.5925 COC1CCCCC1NC(=O)CCSC 11a_100011208099_100000174002 [0,1,0,1,0,0|2,0,0]=4 15845 B15R1.5925 COC1CCCCC1NC(=O)CCSC 1626a_100011208099_100000174002 [0,1,0,1,0,0|2,0,0]=4 15846 B15R1.5925 COC1CCCCC1NC(=O)CCSC 240690a_100011208099_100000174002 [0,1,0,1,0,0|2,0,0]=4 15847 B15R1.5925 COC1CCCCC1NC(=O)CCSC 527a_100011208099_100000174002 [0,1,0,1,0,0|2,0,0]=4 15848 B15R1.5925 COCCC(=O)NC1CCCCC1OC 11a_100011208099_100000749529 [0,1,0,1,0,0|2,0,0]=4 15849 B15R1.5925 COCCC(=O)NC1CCCCC1OC 1626a_100011208099_100000749529 [0,1,0,1,0,0|2,0,0]=4 15850 B15R1.5925 COCCC(=O)NC1CCCCC1OC 240690a_100011208099_100000749529 [0,1,0,1,0,0|2,0,0]=4 15851 B15R1.5925 COCCC(=O)NC1CCCCC1OC 527a_100011208099_100000749529 [0,1,0,1,0,0|2,0,0]=4 15852 B15R1.6379 CCCCCCN1CCC(=O)NC[C@@H]1C 2230a_102125656889_100000210314 [0,1,0,1,0,0|2,0,0]=4 15853 B15R1.6379 CCCCCCN1CCC(=O)NC[C@@H]1C 269982a_102125656889_100000210757 [0,1,0,1,0,0|2,0,0]=4 15854 B15R1.6379 CCCCCCN1CCC(=O)NC[C@@H]1C 34a_102125656889_100000210314 [0,1,0,1,0,0|2,0,0]=4 15855 B15R1.15309 CCCCCCCCOC1(CCCC1)C 34a_100000751722_100000210759 [0,1,0,1,0,0|1,0,1]=4 15856 B15R1.15309 CCCCCCCCOC1(CCCC1)C 7a_100000751722_100000210759 [0,1,0,1,0,0|1,0,1]=4 15857 B15R1.32322 CCCCCN1CCNC(=O)C1CCC 2230a_200000695202_100000210326 [0,1,0,1,0,0|2,0,0]=4 15858 B15R1.32322 CCCCCN1CCNC(=O)C1CCC 269982a_200000695202_100000210215 [0,1,0,1,0,0|2,0,0]=4 15859 B15R1.32322 CCCCCN1CCNC(=O)C1CCC 34a_200000695202_100000718602 [0,1,0,1,0,0|2,0,0]=4 15860 B15R1.32322 CCCCCN1CCNC(=O)C1CCO 2230a_100000044719_100000210326 [0,1,0,1,0,0|2,0,0]=4 15861 B15R1.32322 CCCCCN1CCNC(=O)C1CCO 34a_100000044719_100000718602 [0,1,0,1,0,0|2,0,0]=4 15862 B15R1.3584 CCCC(C)(C)OCCCC1CCCC1 7a_100000748436_100011713738 [0,1,0,1,0,0|1,0,1]=4 15863 B15R1.3584 CCCS(=O)(=O)NCCCC1CCCC1 270084a_100000736752_100000211391 [0,1,0,1,0,0|2,0,0]=4 15864 B15R1.3584 CCCS(=O)(=O)NCCCC1CCCC1 274078a_100000736752_100000211391 [0,1,0,1,0,0|2,0,0]=4 15865 B15R1.3584 CCCS(=O)(=O)NCCCC1CCCC1 40a_100000736752_100000054278 [0,1,0,1,0,0|2,0,0]=4 15866 B15R1.6336 CCCCCCCCNS(=O)(=O)C1CC1 270084a_100000229939_100000750908 [0,1,0,1,0,0|2,0,0]=4 15867 B15R1.6336 CCCCCCCCNS(=O)(=O)C1CC1 274078a_100000229939_100000750908 [0,1,0,1,0,0|2,0,0]=4 15868 B15R1.7041 CCCC1CCCCN1S(=O)(=O)CCC 270084a_100000701414_100000211391 [0,1,0,1,0,0|2,0,0]=4 15869 B15R1.7041 CCCC1CCCCN1S(=O)(=O)CCC 274078a_100000701414_100000211391 [0,1,0,1,0,0|2,0,0]=4 15870 B15R1.7041 CCCC1CCCCN1S(=O)(=O)CCC 40a_100000701414_100000054278 [0,1,0,1,0,0|2,0,0]=4 15871 B15R1.9539 CCCC(C)(C)OCCC1CCCCC1 7a_100000748436_100011273959 [0,1,0,1,0,0|1,0,1]=4 15872 B15R1.9539 CCCS(=O)(=O)NCCC1CCCCC1 270084a_100000738074_100000211391 [0,1,0,1,0,0|2,0,0]=4 15873 B15R1.9539 CCCS(=O)(=O)NCCC1CCCCC1 274078a_100000738074_100000211391 [0,1,0,1,0,0|2,0,0]=4 15874 B15R1.9539 CCCS(=O)(=O)NCCC1CCCCC1 40a_100000738074_100000054278 [0,1,0,1,0,0|2,0,0]=4 15875 B15R1.15641 CCCS(=O)(=O)N1CCCCCCCC1 270084a_100000039187_100000211391 [0,1,0,1,0,0|2,0,0]=4 15876 B15R1.15641 CCCS(=O)(=O)N1CCCCCCCC1 274078a_100000039187_100000211391 [0,1,0,1,0,0|2,0,0]=4 15877 B15R1.15641 CCCS(=O)(=O)N1CCCCCCCC1 40a_100000039187_100000054278 [0,1,0,1,0,0|2,0,0]=4 15878 B15R1.15666 CCCC(C)(C)OCC1CCCCCC1 7a_100000748436_200000696569 [0,1,0,1,0,0|1,0,1]=4 15879 B15R1.15666 CCCS(=O)(=O)NCC1CCCCCC1 270084a_100015204231_100000211391 [0,1,0,1,0,0|2,0,0]=4 15880 B15R1.15666 CCCS(=O)(=O)NCC1CCCCCC1 274078a_100015204231_100000211391 [0,1,0,1,0,0|2,0,0]=4 15881 B15R1.15666 CCCS(=O)(=O)NCC1CCCCCC1 40a_100015204231_100000054278 [0,1,0,1,0,0|2,0,0]=4 15882 B15R1.15867 CCCS(=O)(=O)NC1CCCCCCC1 270084a_100000211152_100000211391 [0,1,0,1,0,0|2,0,0]=4 15883 B15R1.15867 CCCS(=O)(=O)NC1CCCCCCC1 274078a_100000211152_100000211391 [0,1,0,1,0,0|2,0,0]=4 15884 B15R1.15867 CCCS(=O)(=O)NC1CCCCCCC1 40a_100000211152_100000054278 [0,1,0,1,0,0|2,0,0]=4 15885 B15R1.129 CCCCCC(C)OC1CCCC(=O)C1 34a_100012613340_200011218191 [0,1,0,1,0,0|2,0,0]=4 15886 B15R1.794 CCCC(=O)NCCC(C)N1CCCC1 1626a_100011369354_100000211992 [0,1,0,1,0,0|2,0,0]=4 15887 B15R1.794 CCCC(=O)NCCC(C)N1CCCC1 240690a_100011369354_100000211992 [0,1,0,1,0,0|2,0,0]=4 15888 B15R1.794 CCCC(=O)NCCC(C)N1CCCC1 527a_100011369354_100000211992 [0,1,0,1,0,0|2,0,0]=4 15889 B15R1.794 CCCC(=O)OCNC(C)C1CCCC1 2230a_100015185923_100000034017 [0,1,0,1,0,0|1,0,0]=3 15890 B15R1.794 CCCC(=O)OCNC(C)C1CCCC1 34a_100015185923_100000034017 [0,1,0,1,0,0|1,0,0]=3 15891 B15R1.794 CCCC(=O)OCNC(C)C1CCCO1 2230a_100025754208_100000034017 [0,1,0,1,0,0|2,0,0]=4 15892 B15R1.794 CCCC(=O)OCNC(C)C1CCCO1 34a_100025754208_100000034017 [0,1,0,1,0,0|2,0,0]=4 15893 B15R1.794 CCCC(=O)OCOC(C)C1CCCC1 34a_100011216366_100000034017 [0,1,0,1,0,0|1,0,0]=3 15894 B15R1.1378 CCCCCC(=O)CCN1CCCC1=O 1458a_100000212188_100000742232 [0,1,0,1,0,0|1,0,1]=4 15895 B15R1.1378 CCCCCC(=O)CCN1CCCC1=O 1458a_100000751031_100000210326 [0,1,0,1,0,0|1,0,1]=4 15896 B15R1.1378 CCCCCC(C)SCN1CCCC1=O 62a_100000026320_200011218191 [0,1,0,1,0,0|2,0,0]=4 15897 B15R1.1378 CCCCCC(C)SCN1CCCC1=O 62a_200011218191_100000026320 [0,1,0,1,0,0|2,0,0]=4 15898 B15R1.1378 CCCCCN(C)CCN1CCCC1=O 2230a_100000223495_100000739059 [0,1,0,1,0,0|2,0,0]=4 15899 B15R1.1378 CCCCCN(C)CCN1CCCC1=O 269982a_100000223495_100000739059 [0,1,0,1,0,0|2,0,0]=4 15900 B15R1.3292 CCCCCC(C)NCOC(=O)C1CC1 2230a_100000211957_100000140896 [0,1,0,1,0,0|1,0,0]=3 15901 B15R1.3292 CCCCCC(C)OCOC(=O)C1CC1 34a_100011215632_100000140896 [0,1,0,1,0,0|1,0,0]=3 15902 B15R1.3292 CCCCCC(C)SCOC(=O)C1CC1 62a_100000140896_200011218191 [0,1,0,1,0,0|1,0,0]=3 15903 B15R1.3292 CCCCCC(C)SCOC(=O)C1CC1 62a_200011218191_100000140896 [0,1,0,1,0,0|1,0,0]=3 15904 B15R1.3292 COCCCC(C)OCOC(=O)C1CC1 34a_200011539412_100000140896 [0,1,0,1,0,0|2,0,0]=4 15905 B15R1.36731 CCCC(=O)COC1C(CCCC1C)C 7a_100011218088_100000747444 [0,1,0,1,0,0|2,0,0]=4 15906 B15R1.36731 CCCC(=O)OCN1C(CCCC1C)C 2230a_100000210447_100000034017 [0,1,0,1,0,0|1,0,0]=3 15907 B15R1.36731 CCCC(=O)OCN1C(CCCC1C)C 269982a_100000210447_100000034017 [0,1,0,1,0,0|1,0,0]=3 15908 B15R1.36731 CCCC(=O)OCN1C(CCCC1C)C 34a_100000210447_100000034017 [0,1,0,1,0,0|1,0,0]=3 15909 B15R1.36731 CCCC(=O)OCN1[C@@H](COC[C@@H]1C)C 2230a_100103153222_100000034017 [0,1,0,1,0,0|2,0,0]=4 15910 B15R1.36731 CCCC(=O)OCN1[C@@H](COC[C@@H]1C)C 269982a_100103153222_100000034017 [0,1,0,1,0,0|2,0,0]=4 15911 B15R1.36731 CCCC(=O)OCN1[C@@H](COC[C@@H]1C)C 34a_100103153222_100000034017 [0,1,0,1,0,0|2,0,0]=4 15912 B15R1.45797 CCCC(=O)CNCC1(CCCCC1)C 2230a_100000706052_100000747444 [0,1,0,1,0,0|2,0,0]=4 15913 B15R1.45797 CCCC(=O)CNCC1(CCCCC1)O 2230a_100000748649_100000747444 [0,1,0,1,0,0|2,0,0]=4 15914 B15R1.45797 CCCC(=O)COCC1(CCCCC1)C 7a_100000688186_100000747444 [0,1,0,1,0,0|2,0,0]=4 15915 B15R1.45797 CCCC(=O)COCC1(CCCCC1)F 7a_100000090305_100000747444 [0,1,0,1,0,0|2,0,0]=4 15916 B15R1.45797 CCCC(=O)NCCC1(CCCCC1)O 11a_100102740465_100000211992 [0,1,0,1,0,0|1,0,0]=3 15917 B15R1.45797 CCCC(=O)NCCC1(CCCCC1)O 1626a_100102740465_100000211992 [0,1,0,1,0,0|1,0,0]=3 15918 B15R1.45797 CCCC(=O)NCCC1(CCCCC1)O 240690a_100102740465_100000211992 [0,1,0,1,0,0|1,0,0]=3 15919 B15R1.45797 CCCC(=O)NCCC1(CCCCC1)O 527a_100102740465_100000211992 [0,1,0,1,0,0|1,0,0]=3 15920 B15R1.45797 CCCC(=O)OCNC1(CCCCC1)C 2230a_100000741114_100000034017 [0,1,0,1,0,0|1,0,0]=3 15921 B15R1.45797 CCCC(=O)OCNC1(CCCCC1)C 34a_100000741114_100000034017 [0,1,0,1,0,0|1,0,0]=3 15922 B15R1.45797 CCCC(=O)OCNC1(CCOCC1)C 2230a_100000692449_100000034017 [0,1,0,1,0,0|2,0,0]=4 15923 B15R1.45797 CCCC(=O)OCNC1(CCOCC1)C 34a_100000692449_100000034017 [0,1,0,1,0,0|2,0,0]=4 15924 B15R1.45797 CCCC(=O)OCOC1(CCCCC1)C 34a_100011215885_100000034017 [0,1,0,1,0,0|1,0,0]=3 15925 B15R1.45797 CCCC(=O)OCOC1(CCOCC1)C 34a_100011827762_100000034017 [0,1,0,1,0,0|2,0,0]=4 15926 B15R1.45797 CCCC(=O)OCOC1(CCSCC1)C 34a_200011004327_100000034017 [0,1,0,1,0,0|2,0,0]=4 15927 B15R1.45797 CCNC(=O)NCCC1(CCCCC1)O 2708a_100015525214_100102740465 [0,1,0,1,0,0|2,0,0]=4 15928 B15R1.45797 CCNC(=O)NCCC1(CCCCC1)O 273464a_100015525214_100102740465 [0,1,0,1,0,0|2,0,0]=4 15929 B15R1.45797 CCNC(=O)NCCC1(CCCCC1)O 512a_100015525214_100102740465 [0,1,0,1,0,0|2,0,0]=4 15930 B15R1.45797 CCNC(=O)NCCC1(CCCCC1)O 512a_100102740465_100015525214 [0,1,0,1,0,0|2,0,0]=4 15931 B15R1.45797 COCC(=O)NCCC1(CCCCC1)O 11a_100102740465_100000210968 [0,1,0,1,0,0|2,0,0]=4 15932 B15R1.45797 COCC(=O)NCCC1(CCCCC1)O 1626a_100102740465_100000210968 [0,1,0,1,0,0|2,0,0]=4 15933 B15R1.45797 COCC(=O)NCCC1(CCCCC1)O 240690a_100102740465_100000210968 [0,1,0,1,0,0|2,0,0]=4 15934 B15R1.45797 COCC(=O)NCCC1(CCCCC1)O 527a_100102740465_100000210968 [0,1,0,1,0,0|2,0,0]=4 15935 B15R1.45797 CSCC(=O)NCCC1(CCCCC1)O 11a_100102740465_100000184570 [0,1,0,1,0,0|2,0,0]=4 15936 B15R1.45797 CSCC(=O)NCCC1(CCCCC1)O 1626a_100102740465_100000184570 [0,1,0,1,0,0|2,0,0]=4 15937 B15R1.45797 CSCC(=O)NCCC1(CCCCC1)O 240690a_100102740465_100000184570 [0,1,0,1,0,0|2,0,0]=4 15938 B15R1.45797 CSCC(=O)NCCC1(CCCCC1)O 527a_100102740465_100000184570 [0,1,0,1,0,0|2,0,0]=4 15939 B15R1.45797 O=C(CCO)NCCC1(CCCCC1)O 240690a_100102740465_100011216618 [0,1,0,1,0,0|2,0,0]=4 15940 B15R1.45803 CCCC(=O)OCO[C@@]1(CCC[C@H]1N)C 34a_100015977457_100000034017 [0,1,0,1,0,0|2,0,0]=4 15941 B15R2.31 O=C1CCCC(C1)OC2CCCCC2 34a_100012613340_100000210327 [0,0,0,2,0,0|2,0,0]=4 15942 B15R2.1117 O=C1CCCC(C1)OCC2CCCC2 34a_100012613340_100000740388 [0,0,0,2,0,0|2,0,0]=4 15943 B15R2.1117 O=C1CCCC(N1)COC2CCCC2 34a_200000102386_100000179811 [0,0,0,2,0,0|2,0,0]=4 15944 B15R2.7133 O=C1CCCC(N1)COCCC2CC2 34a_200000102386_100000694398 [0,0,0,2,0,0|2,0,0]=4 15945 B15R2.7146 O=C1CCCC(N1)COCC2CCC2 34a_200000102386_100000763275 [0,0,0,2,0,0|2,0,0]=4 15946 B15R2.123 CCC1CCCCC1OC2CCCC2 34a_100000210738_100000179811 [0,0,0,2,0,0|1,0,1]=4 15947 B15R2.123 CCC1CCCCC1OC2CCCC2 7a_100000210738_100000179811 [0,0,0,2,0,0|1,0,1]=4 15948 B15R2.404 O=C1CCCC1NCCC2CCCC2 2230a_100000739158_100000211823 [0,0,0,2,0,0|2,0,0]=4 15949 B15R2.404 O=C1CCCC1NCCC2CCCC2 34a_100000739158_100000709159 [0,0,0,2,0,0|2,0,0]=4 15950 B15R2.404 O=C1CCCC1OCCC2CCCC2 34a_100000749090_100000709159 [0,0,0,2,0,0|2,0,0]=4 15951 B15R2.404 O=C1CCCC1OCCC2CCCC2 34a_200000719330_100000760354 [0,0,0,2,0,0|2,0,0]=4 15952 B15R2.404 O=C1CCCC1OCCC2CCCC2 7a_100000749090_100000211823 [0,0,0,2,0,0|2,0,0]=4 15953 B15R2.404 O=C1CCCC1SCCC2CCCC2 62a_100000211823_100000760354 [0,0,0,2,0,0|2,0,0]=4 15954 B15R2.404 O=C1CCCC1SCCC2CCCC2 62a_100000760354_100000211823 [0,0,0,2,0,0|2,0,0]=4 15955 B15R2.404 O=C1CCCN1CCNC2CCCC2 2230a_100000211070_100000739059 [0,0,0,2,0,0|2,0,0]=4 15956 B15R2.404 O=C1CCCN1CCNC2CCCC2 2230a_100011200922_100000179811 [0,0,0,2,0,0|2,0,0]=4 15957 B15R2.404 O=C1CCCN1CCNC2CCCC2 270004a_100011200922_100000210133 [0,0,0,2,0,0|2,0,0]=4 15958 B15R2.404 O=C1CCCN1CCNC2CCCC2 34a_100000211070_100000739059 [0,0,0,2,0,0|2,0,0]=4 15959 B15R2.404 O=C1CCCN1CCOC2CCCC2 34a_100000210269_100000739059 [0,0,0,2,0,0|2,0,0]=4 15960 B15R2.404 O=C1CCCN1CCOC2CCCC2 34a_100000211209_100000179811 [0,0,0,2,0,0|2,0,0]=4 15961 B15R2.404 O=C1CCCN1CCOC2CCCC2 7a_100000210269_100000739059 [0,0,0,2,0,0|2,0,0]=4 15962 B15R2.404 O=C1CCCN1CCOC2CCCC2 7a_100000211209_100000179811 [0,0,0,2,0,0|2,0,0]=4 15963 B15R2.404 O=C1CCCN1CCSC2CCCC2 62a_100000739059_100000179811 [0,0,0,2,0,0|2,0,0]=4 15964 B15R2.404 O=C1CCCN1CCSC2CCCC2 62a_100011217020_100000739059 [0,0,0,2,0,0|2,0,0]=4 15965 B15R2.404 O=C1CCCN1CSCC2CCCC2 62a_100000026320_100000740388 [0,0,0,2,0,0|2,0,0]=4 15966 B15R2.404 O=C1CCCN1CSCC2CCCC2 62a_100000740388_100000026320 [0,0,0,2,0,0|2,0,0]=4 15967 B15R2.2194 C1CCC(C1)CCCOC2CCCC2 34a_100000210269_100011713738 [0,0,0,2,0,0|1,0,1]=4 15968 B15R2.2194 C1CCC(C1)CCCOC2CCCC2 34a_100011215328_100000179811 [0,0,0,2,0,0|1,0,1]=4 15969 B15R2.2194 C1CCC(C1)CCCOC2CCCC2 7a_100000210269_100011713738 [0,0,0,2,0,0|1,0,1]=4 15970 B15R2.2194 C1CCC(C1)CCCOC2CCCC2 7a_100011215328_100000179811 [0,0,0,2,0,0|1,0,1]=4 15971 B15R2.2194 C1CCC(C1)CCCOC2CCCO2 34a_100000085407_100011713738 [0,0,0,2,0,0|0,0,2]=4 15972 B15R2.2196 C1CCC(CC1)CCOC2CCCC2 34a_100000210269_100011209188 [0,0,0,2,0,0|1,0,1]=4 15973 B15R2.2196 C1CCC(CC1)CCOC2CCCC2 34a_100011217863_100000179811 [0,0,0,2,0,0|1,0,1]=4 15974 B15R2.2196 C1CCC(CC1)CCOC2CCCC2 7a_100000210269_100011273959 [0,0,0,2,0,0|1,0,1]=4 15975 B15R2.2196 C1CCC(CC1)CCOC2CCCC2 7a_100011217863_100000179811 [0,0,0,2,0,0|1,0,1]=4 15976 B15R2.2196 C1CCC(CC1)CCOC2CCCO2 34a_100000085407_100011209188 [0,0,0,2,0,0|0,0,2]=4 15977 B15R2.3804 C1CCCC(CCC1)OC2CCCC2 34a_100000210054_100000179811 [0,0,0,2,0,0|1,0,1]=4 15978 B15R2.3804 C1CCCC(CCC1)OC2CCCC2 7a_100000210054_100000179811 [0,0,0,2,0,0|1,0,1]=4 15979 B15R2.3805 C1CCCC(CC1)COC2CCCC2 34a_100000210269_200000696569 [0,0,0,2,0,0|1,0,1]=4 15980 B15R2.3805 C1CCCC(CC1)COC2CCCC2 34a_100000699130_100000179811 [0,0,0,2,0,0|1,0,1]=4 15981 B15R2.3805 C1CCCC(CC1)COC2CCCC2 7a_100000210269_200000696569 [0,0,0,2,0,0|1,0,1]=4 15982 B15R2.3805 C1CCCC(CC1)COC2CCCC2 7a_100000699130_100000179811 [0,0,0,2,0,0|1,0,1]=4 15983 B15R2.3805 C1CCCC(CC1)COC2CCCO2 34a_100000085407_200000696569 [0,0,0,2,0,0|0,0,2]=4 15984 B15R2.55 O=C1CCCC1NCC2CCCCC2 2230a_100000210473_100000211823 [0,0,0,2,0,0|2,0,0]=4 15985 B15R2.55 O=C1CCCC1NCC2CCCCC2 34a_100000210473_100000709159 [0,0,0,2,0,0|2,0,0]=4 15986 B15R2.55 O=C1CCCC1OCC2CCCCC2 34a_100000212181_100000709159 [0,0,0,2,0,0|2,0,0]=4 15987 B15R2.55 O=C1CCCC1OCC2CCCCC2 34a_200000719330_100000211423 [0,0,0,2,0,0|2,0,0]=4 15988 B15R2.55 O=C1CCCC1OCC2CCCCC2 7a_100000212181_100000211823 [0,0,0,2,0,0|2,0,0]=4 15989 B15R2.55 O=C1CCCC1SCC2CCCCC2 62a_100000211423_100000211823 [0,0,0,2,0,0|2,0,0]=4 15990 B15R2.55 O=C1CCCC1SCC2CCCCC2 62a_100000211823_100000211423 [0,0,0,2,0,0|2,0,0]=4 15991 B15R2.55 O=C1CCCN1CSC2CCCCC2 62a_100000026320_100000210327 [0,0,0,2,0,0|2,0,0]=4 15992 B15R2.55 O=C1CCCN1CSC2CCCCC2 62a_100000210327_100000026320 [0,0,0,2,0,0|2,0,0]=4 15993 B15R2.359 CC1CCCCC1NC2CCCC2=O 2230a_100000211402_100000211823 [0,0,0,2,0,0|2,0,0]=4 15994 B15R2.359 CC1CCCCC1NC2CCCC2=O 34a_100000211402_100000709159 [0,0,0,2,0,0|2,0,0]=4 15995 B15R2.359 CC1CCCCC1OC2CCCC2=O 34a_100000211207_100000709159 [0,0,0,2,0,0|2,0,0]=4 15996 B15R2.359 CC1CCCCC1OC2CCCC2=O 7a_100000211207_100000211823 [0,0,0,2,0,0|2,0,0]=4 15997 B15R2.359 CC1CCCCN1CN2CCCC2=O 269982a_100000211376_100000026320 [0,0,0,2,0,0|2,0,0]=4 15998 B15R2.411 C[C@@H]1CCCN1CCN2CCCC2=O 2230a_100015189458_100000739059 [0,0,0,2,0,0|2,0,0]=4 15999 B15R2.411 C[C@@H]1CCCN1CCN2CCCC2=O 269982a_100015189458_100000739059 [0,0,0,2,0,0|2,0,0]=4 16000 B15R2.411 C[C@@H]1CCCN1CCN2CCCC2=O 34a_100015189458_100000739059 [0,0,0,2,0,0|2,0,0]=4 16001 B15R2.411 C[C@H]1CCCN1CCN2CCCC2=O 2230a_100020605311_100000739059 [0,0,0,2,0,0|2,0,0]=4 16002 B15R2.411 C[C@H]1CCCN1CCN2CCCC2=O 269982a_100020605311_100000739059 [0,0,0,2,0,0|2,0,0]=4 16003 B15R2.997 CC1CC1COCCN2CCCC2=O 34a_100000744939_100000739059 [0,0,0,2,0,0|2,0,0]=4 16004 B15R2.997 CC1CC1COCCN2CCCC2=O 7a_100000744939_100000739059 [0,0,0,2,0,0|2,0,0]=4 16005 B15R2.2302 CCC1CCCCN1C2CCCC2=O 2230a_100000210034_100000211823 [0,0,0,2,0,0|2,0,0]=4 16006 B15R2.2302 CCC1CCCCN1C2CCCC2=O 269982a_100000210034_100000211823 [0,0,0,2,0,0|2,0,0]=4 16007 B15R2.2302 CCC1CCCCN1C2CCCC2=O 34a_100000210034_100000709159 [0,0,0,2,0,0|2,0,0]=4 16008 B15R2.2326 CCC1CCCN1CN2CCCC2=O 269982a_100000754278_100000026320 [0,0,0,2,0,0|2,0,0]=4 16009 B15R2.7653 O=C1CCCN1CCCNCC2CC2 2230a_100000210347_100000742324 [0,0,0,2,0,0|2,0,0]=4 16010 B15R2.7653 O=C1CCCN1CCCNCC2CC2 269862a_100000210347_100000741477 [0,0,0,2,0,0|2,0,0]=4 16011 B15R2.7653 O=C1CCCN1CCCNCC2CC2 34a_100000210347_100000742324 [0,0,0,2,0,0|2,0,0]=4 16012 B15R2.7653 O=C1CCCN1CCCOCC2CC2 34a_100011216539_100000742324 [0,0,0,2,0,0|2,0,0]=4 16013 B15R2.7653 O=C1CCCN1CCCOCC2CC2 7a_100011216539_100000742324 [0,0,0,2,0,0|2,0,0]=4 16014 B15R2.7653 O=C1CCCN1CCNCCC2CC2 2230a_100011200922_100000694398 [0,0,0,2,0,0|2,0,0]=4 16015 B15R2.7653 O=C1CCCN1CCNCCC2CC2 34a_100000764129_100000739059 [0,0,0,2,0,0|2,0,0]=4 16016 B15R2.7653 O=C1CCCN1CCOCCC2CC2 34a_100000211209_100000694398 [0,0,0,2,0,0|2,0,0]=4 16017 B15R2.7653 O=C1CCCN1CCOCCC2CC2 34a_100000754188_100000739059 [0,0,0,2,0,0|2,0,0]=4 16018 B15R2.7653 O=C1CCCN1CCOCCC2CC2 7a_100000211209_100000764125 [0,0,0,2,0,0|2,0,0]=4 16019 B15R2.7653 O=C1CCCN1CCOCCC2CC2 7a_100000754188_100000739059 [0,0,0,2,0,0|2,0,0]=4 16020 B15R2.7653 O=C1CCCN1CCSCCC2CC2 62a_100000739059_100000764125 [0,0,0,2,0,0|2,0,0]=4 16021 B15R2.7653 O=C1CCCN1CCSCCC2CC2 62a_100000764125_100000739059 [0,0,0,2,0,0|2,0,0]=4 16022 B15R2.8453 O=C1CCCC1N2CCCCCCC2 2230a_100000211400_100000211823 [0,0,0,2,0,0|2,0,0]=4 16023 B15R2.8453 O=C1CCCC1N2CCCCCCC2 269982a_100000211400_100000211823 [0,0,0,2,0,0|2,0,0]=4 16024 B15R2.8453 O=C1CCCC1N2CCCCCCC2 34a_100000211400_100000709159 [0,0,0,2,0,0|2,0,0]=4 16025 B15R2.13884 O=C1CCCC1NC2CCCCCC2 2230a_100000210984_100000211823 [0,0,0,2,0,0|2,0,0]=4 16026 B15R2.13884 O=C1CCCC1NC2CCCCCC2 34a_100000210984_100000709159 [0,0,0,2,0,0|2,0,0]=4 16027 B15R2.13884 O=C1CCCC1OC2CCCCCC2 34a_100000210887_100000709159 [0,0,0,2,0,0|2,0,0]=4 16028 B15R2.13884 O=C1CCCC1OC2CCCCCC2 34a_200000719330_100011217769 [0,0,0,2,0,0|2,0,0]=4 16029 B15R2.13884 O=C1CCCC1OC2CCCCCC2 7a_100000210887_100000211823 [0,0,0,2,0,0|2,0,0]=4 16030 B15R2.13884 O=C1CCCC1SC2CCCCCC2 62a_100000211823_100011217769 [0,0,0,2,0,0|2,0,0]=4 16031 B15R2.13884 O=C1CCCC1SC2CCCCCC2 62a_100011217769_100000211823 [0,0,0,2,0,0|2,0,0]=4 16032 B15R2.13884 O=C1CCCN1CN2CCCCCC2 269982a_100000185865_100000026320 [0,0,0,2,0,0|2,0,0]=4 16033 B15R2.13901 O=C1CCCN1CCCNC2CCC2 270004a_100000210347_100000241760 [0,0,0,2,0,0|2,0,0]=4 16034 B15R2.13901 O=C1CCCN1CCCNC2CCC2 34a_100000210347_100000749161 [0,0,0,2,0,0|2,0,0]=4 16035 B15R2.13901 O=C1CCCN1CCCOC2CCC2 34a_100011216539_100000749161 [0,0,0,2,0,0|2,0,0]=4 16036 B15R2.13901 O=C1CCCN1CCNCC2CCC2 2230a_100000738700_100000739059 [0,0,0,2,0,0|2,0,0]=4 16037 B15R2.13901 O=C1CCCN1CCNCC2CCC2 2230a_100011200922_100000763275 [0,0,0,2,0,0|2,0,0]=4 16038 B15R2.13901 O=C1CCCN1CCNCC2CCC2 269862a_100011200922_100000753134 [0,0,0,2,0,0|2,0,0]=4 16039 B15R2.13901 O=C1CCCN1CCNCC2CCC2 34a_100000738700_100000739059 [0,0,0,2,0,0|2,0,0]=4 16040 B15R2.13901 O=C1CCCN1CCOCC2CCC2 34a_100000211209_100000763275 [0,0,0,2,0,0|2,0,0]=4 16041 B15R2.13901 O=C1CCCN1CCOCC2CCC2 34a_100000760304_100000739059 [0,0,0,2,0,0|2,0,0]=4 16042 B15R2.13901 O=C1CCCN1CCOCC2CCC2 7a_100000211209_100000763275 [0,0,0,2,0,0|2,0,0]=4 16043 B15R2.13901 O=C1CCCN1CCSCC2CCC2 62a_100000739059_100000763275 [0,0,0,2,0,0|2,0,0]=4 16044 B15R2.13901 O=C1CCCN1CCSCC2CCC2 62a_100000763275_100000739059 [0,0,0,2,0,0|2,0,0]=4 16045 B15R2.3538 CCCC(=O)OCNC1C2C1COC2 2230a_100000702821_100000034017 [0,0,0,2,0,0|2,0,0]=4 16046 B15R2.3538 CCCC(=O)OCNC1C2C1COC2 34a_100000702821_100000034017 [0,0,0,2,0,0|2,0,0]=4 16047 B15R2.10621 COCC1CCN1COC(=O)C2CC2 2230a_100015195929_100000140896 [0,0,0,2,0,0|2,0,0]=4 16048 B15R2.10621 COCC1CCN1COC(=O)C2CC2 269982a_100015195929_100000140896 [0,0,0,2,0,0|2,0,0]=4 16049 B15R2.10621 COCC1CCN1COC(=O)C2CC2 34a_100015195929_100000140896 [0,0,0,2,0,0|2,0,0]=4 16050 B15R2.93110 CCCC(=O)OCN1CCC12COC2 2230a_100015204706_100000034017 [0,0,0,2,0,0|2,0,0]=4 16051 B15R2.93110 CCCC(=O)OCN1CCC12COC2 269982a_100015204706_100000034017 [0,0,0,2,0,0|2,0,0]=4 16052 B15R2.16720 CCCC1CCCCN1C(=O)C2CC2 11a_100000701414_100000210395 [0,0,0,2,0,0|1,0,0]=3 16053 B15R2.16720 CCCC1CCCCN1C(=O)C2CC2 1626a_100000701414_100000210395 [0,0,0,2,0,0|1,0,0]=3 16054 B15R2.16720 CCCC1CCCCN1C(=O)C2CC2 240690a_100000701414_100000210395 [0,0,0,2,0,0|1,0,0]=3 16055 B15R2.16720 CCCC1CCCCN1C(=O)C2CC2 527a_100000701414_100000210395 [0,0,0,2,0,0|1,0,0]=3 16056 B15R2.16720 CCCC1CCCCN1C(=O)C2CO2 11a_100000701414_100000701028 [0,0,0,2,0,0|2,0,0]=4 16057 B15R2.16720 CCCC1CCCCN1C(=O)C2CO2 1626a_100000701414_100000701028 [0,0,0,2,0,0|2,0,0]=4 16058 B15R2.16720 CCCC1CCCCN1C(=O)C2CO2 240690a_100000701414_100000701028 [0,0,0,2,0,0|2,0,0]=4 16059 B15R2.16720 CCCC1CCCCN1C(=O)C2CO2 527a_100000701414_100000701028 [0,0,0,2,0,0|2,0,0]=4 16060 B15R2.16720 CCCC1COCCN1C(=O)C2CC2 11a_102495339903_100000210395 [0,0,0,2,0,0|2,0,0]=4 16061 B15R2.16720 CCCC1COCCN1C(=O)C2CC2 1626a_102495339903_100000210395 [0,0,0,2,0,0|2,0,0]=4 16062 B15R2.16720 CCCC1COCCN1C(=O)C2CC2 240690a_102495339903_100000210395 [0,0,0,2,0,0|2,0,0]=4 16063 B15R2.16720 CCCC1COCCN1C(=O)C2CC2 527a_102495339903_100000210395 [0,0,0,2,0,0|2,0,0]=4 16064 B15R2.16720 COCC1CCCCN1C(=O)C2CC2 11a_100015184032_100000210395 [0,0,0,2,0,0|2,0,0]=4 16065 B15R2.16720 COCC1CCCCN1C(=O)C2CC2 1626a_100015184032_100000210395 [0,0,0,2,0,0|2,0,0]=4 16066 B15R2.16720 COCC1CCCCN1C(=O)C2CC2 240690a_100015184032_100000210395 [0,0,0,2,0,0|2,0,0]=4 16067 B15R2.16720 COCC1CCCCN1C(=O)C2CC2 527a_100015184032_100000210395 [0,0,0,2,0,0|2,0,0]=4 16068 B15R2.16720 O=C(C1CC1)N2CCCCC2CCO 240690a_100000211664_100000210395 [0,0,0,2,0,0|2,0,0]=4 16069 B15R2.74328 CCCC(=O)C12CCCCN1CCC2 1458a_200020892223_100000210303 [0,0,0,2,0,0|2,0,0]=4 16070 B15R2.17439 CCCC(=O)CN1CCCC1C2CC2 2230a_200000757794_100000747444 [0,0,0,2,0,0|2,0,0]=4 16071 B15R2.17439 CCCC(=O)CN1CCCC1C2CC2 269982a_200000757794_100000747444 [0,0,0,2,0,0|2,0,0]=4 16072 B15R2.75882 CCCC(=O)CC12CCCN1CCC2 1458a_100000070827_100000210303 [0,0,0,2,0,0|2,0,0]=4 16073 B15R2.3519 CCCC(=O)CSC1C2CCC1CC2 62a_100000747444_100009813300 [0,0,0,2,0,0|2,0,0]=4 16074 B15R2.3519 CCCC(=O)CSC1C2CCC1CC2 62a_100009813300_100000747444 [0,0,0,2,0,0|2,0,0]=4 16075 B15R2.3519 CCCC(=O)OCN1C2CCC1CC2 2230a_100000735658_100000034017 [0,0,0,2,0,0|1,0,0]=3 16076 B15R2.3519 CCCC(=O)OCN1C2CCC1CC2 269982a_100000735658_100000034017 [0,0,0,2,0,0|1,0,0]=3 16077 B15R2.3519 CCCC(=O)OCN1C2CCC1CC2 34a_100000735658_100000034017 [0,0,0,2,0,0|1,0,0]=3 16078 B15R2.3562 CCCC(=O)CN1CC2CCC1CC2 2230a_100000750499_100000747444 [0,0,0,2,0,0|2,0,0]=4 16079 B15R2.3562 CCCC(=O)CN1CC2CCC1CC2 269982a_100000750499_100000747444 [0,0,0,2,0,0|2,0,0]=4 16080 B15R2.3562 CCCC(=O)N[C@H]1CN2CCC1CC2 240690a_100016987387_100000211992 [0,0,0,2,0,0|2,0,0]=4 16081 B15R2.7507 CC1(CCC1)OCCC2CCCCC2 34a_100000759064_100011209188 [0,0,0,2,0,0|1,0,1]=4 16082 B15R2.7507 CC1(CCC1)OCCC2CCCCC2 7a_100000759064_100011273959 [0,0,0,2,0,0|1,0,1]=4 16083 B15R2.16438 CC(OCCC1CCCCC1)C2CC2 34a_100000744524_100011209188 [0,0,0,2,0,0|1,0,1]=4 16084 B15R2.16438 CC(OCCC1CCCCC1)C2CC2 7a_100000744524_100011273959 [0,0,0,2,0,0|1,0,1]=4 16085 B15R2.16438 O=C(CCCC1CCCCC1)C2CC2 1458a_100000210395_100011713725 [0,0,0,2,0,0|1,0,0]=3 16086 B15R2.16438 O=C(CCCC1CCCCC1)C2CO2 1458a_100000701028_100011713725 [0,0,0,2,0,0|2,0,0]=4 16087 B15R2.16438 O=C(CCCN1CCCCC1)C2CC2 1458a_100000210395_100000690320 [0,0,0,2,0,0|2,0,0]=4 16088 B15R2.16438 O=C(CCOC1CCCCC1)C2CC2 1458a_100000210395_100011211530 [0,0,0,2,0,0|2,0,0]=4 16089 B15R2.16438 O=C(CNCC1CCCCC1)C2CC2 2230a_100000210473_100000746382 [0,0,0,2,0,0|2,0,0]=4 16090 B15R2.16438 O=C(CNCC1CCCCC1)C2CC2 34a_100000210473_100000746382 [0,0,0,2,0,0|2,0,0]=4 16091 B15R2.16438 O=C(COCC1CCCCC1)C2CC2 34a_100000212181_100000746382 [0,0,0,2,0,0|2,0,0]=4 16092 B15R2.16438 O=C(COCC1CCCCC1)C2CC2 34a_100000686663_100000211423 [0,0,0,2,0,0|2,0,0]=4 16093 B15R2.16438 O=C(COCC1CCCCC1)C2CC2 7a_100000212181_100000746382 [0,0,0,2,0,0|2,0,0]=4 16094 B15R2.16438 O=C(CSCC1CCCCC1)C2CC2 62a_100000211423_100000746382 [0,0,0,2,0,0|2,0,0]=4 16095 B15R2.16438 O=C(CSCC1CCCCC1)C2CC2 62a_100000746382_100000211423 [0,0,0,2,0,0|2,0,0]=4 16096 B15R2.16438 O=C(NCCC1CCCCC1)C2CC2 11a_100000738074_100000210395 [0,0,0,2,0,0|1,0,0]=3 16097 B15R2.16438 O=C(NCCC1CCCCC1)C2CC2 1626a_100000738074_100000210395 [0,0,0,2,0,0|1,0,0]=3 16098 B15R2.16438 O=C(NCCC1CCCCC1)C2CC2 240690a_100000738074_100000210395 [0,0,0,2,0,0|1,0,0]=3 16099 B15R2.16438 O=C(NCCC1CCCCC1)C2CC2 527a_100000738074_100000210395 [0,0,0,2,0,0|1,0,0]=3 16100 B15R2.16438 O=C(NCCC1CCCCC1)C2CO2 11a_100000738074_100000701028 [0,0,0,2,0,0|2,0,0]=4 16101 B15R2.16438 O=C(NCCC1CCCCC1)C2CO2 1626a_100000738074_100000701028 [0,0,0,2,0,0|2,0,0]=4 16102 B15R2.16438 O=C(NCCC1CCCCC1)C2CO2 240690a_100000738074_100000701028 [0,0,0,2,0,0|2,0,0]=4 16103 B15R2.16438 O=C(NCCC1CCCCC1)C2CO2 527a_100000738074_100000701028 [0,0,0,2,0,0|2,0,0]=4 16104 B15R2.16438 O=C(NCCC1CCCCO1)C2CC2 11a_100015183643_100000210395 [0,0,0,2,0,0|2,0,0]=4 16105 B15R2.16438 O=C(NCCC1CCCCO1)C2CC2 1626a_100015183643_100000210395 [0,0,0,2,0,0|2,0,0]=4 16106 B15R2.16438 O=C(NCCC1CCCCO1)C2CC2 240690a_100015183643_100000210395 [0,0,0,2,0,0|2,0,0]=4 16107 B15R2.16438 O=C(NCCC1CCCCO1)C2CC2 527a_100015183643_100000210395 [0,0,0,2,0,0|2,0,0]=4 16108 B15R2.16438 O=C(NCCC1CCOCC1)C2CC2 11a_100000755988_100000210395 [0,0,0,2,0,0|2,0,0]=4 16109 B15R2.16438 O=C(NCCC1CCOCC1)C2CC2 1626a_100000755988_100000210395 [0,0,0,2,0,0|2,0,0]=4 16110 B15R2.16438 O=C(NCCC1CCOCC1)C2CC2 240690a_100000755988_100000210395 [0,0,0,2,0,0|2,0,0]=4 16111 B15R2.16438 O=C(NCCC1CCOCC1)C2CC2 527a_100000755988_100000210395 [0,0,0,2,0,0|2,0,0]=4 16112 B15R2.16438 O=C(NCCN1CCCCC1)C2CC2 240690a_100000216509_100000210395 [0,0,0,2,0,0|2,0,0]=4 16113 B15R2.16438 O=C(NCCN1CCCCC1)C2CC2 527a_100000216509_100000210395 [0,0,0,2,0,0|2,0,0]=4 16114 B15R2.16438 O=C(NNCC1CCCCC1)C2CC2 22a_100000740227_100000210395 [0,0,0,2,0,0|2,0,0]=4 16115 B15R2.16438 O=C(OCNC1CCCCC1)C2CC2 2230a_100000182618_100000140896 [0,0,0,2,0,0|1,0,0]=3 16116 B15R2.16438 O=C(OCNC1CCCCC1)C2CC2 34a_100000182618_100000140896 [0,0,0,2,0,0|1,0,0]=3 16117 B15R2.16438 O=C(OCNC1CCCOC1)C2CC2 2230a_100000719290_100000140896 [0,0,0,2,0,0|2,0,0]=4 16118 B15R2.16438 O=C(OCNC1CCCOC1)C2CC2 34a_100000719290_100000140896 [0,0,0,2,0,0|2,0,0]=4 16119 B15R2.16438 O=C(OCNC1CCOCC1)C2CC2 2230a_100000741149_100000140896 [0,0,0,2,0,0|2,0,0]=4 16120 B15R2.16438 O=C(OCNC1CCOCC1)C2CC2 34a_100000741149_100000140896 [0,0,0,2,0,0|2,0,0]=4 16121 B15R2.16438 O=C(OCNC1CCSCC1)C2CC2 2230a_100000748639_100000140896 [0,0,0,2,0,0|2,0,0]=4 16122 B15R2.16438 O=C(OCNC1CCSCC1)C2CC2 34a_100000748639_100000140896 [0,0,0,2,0,0|2,0,0]=4 16123 B15R2.16438 O=C(OCOC1CCCCC1)C2CC2 34a_100000210231_100000140896 [0,0,0,2,0,0|1,0,0]=3 16124 B15R2.16438 O=C(OCOC1CCCCO1)C2CC2 34a_100000033831_100000140896 [0,0,0,2,0,0|2,0,0]=4 16125 B15R2.16438 O=C(OCOC1CCCOC1)C2CC2 34a_100000754041_100000140896 [0,0,0,2,0,0|2,0,0]=4 16126 B15R2.16438 O=C(OCOC1CCOCC1)C2CC2 34a_100000744328_100000140896 [0,0,0,2,0,0|2,0,0]=4 16127 B15R2.16438 O=C(OCOC1CCSCC1)C2CC2 34a_100000731022_100000140896 [0,0,0,2,0,0|2,0,0]=4 16128 B15R2.16438 O=C(OCSC1CCCCC1)C2CC2 62a_100000140896_100000210327 [0,0,0,2,0,0|1,0,0]=3 16129 B15R2.16438 O=C(OCSC1CCCCC1)C2CC2 62a_100000210327_100000140896 [0,0,0,2,0,0|1,0,0]=3 16130 B15R2.16438 O=C(OCSC1CCCOC1)C2CC2 62a_100000140896_100000693364 [0,0,0,2,0,0|2,0,0]=4 16131 B15R2.16438 O=C(OCSC1CCOCC1)C2CC2 62a_100000140896_100011324220 [0,0,0,2,0,0|2,0,0]=4 16132 B15R2.16438 O=C(OCSC1CCSCC1)C2CC2 62a_100000140896_100000069128 [0,0,0,2,0,0|2,0,0]=4 16133 B15R2.17308 CCCC(=O)N1CCN2CCC1CC2 240690a_100000027273_100000211992 [0,0,0,2,0,0|2,0,0]=4 16134 B15R2.17308 CCCC(=O)N1CCN2CCC1CC2 527a_100000027273_100000211992 [0,0,0,2,0,0|2,0,0]=4 16135 B15R2.73595 CCCC(=O)OCOC1CCC2C1C2 34a_200012295571_100000034017 [0,0,0,2,0,0|1,0,0]=3 16136 B15R2.1356 CCCC(=O)N1C[C@H]2CCCC[C@H]2C1 11a_100015204113_100000211992 [0,0,0,2,0,0|1,0,0]=3 16137 B15R2.1356 CCCC(=O)N1C[C@H]2CCCC[C@H]2C1 1626a_100015204113_100000211992 [0,0,0,2,0,0|1,0,0]=3 16138 B15R2.1356 CCCC(=O)N1C[C@H]2CCCC[C@H]2C1 240690a_100015204113_100000211992 [0,0,0,2,0,0|1,0,0]=3 16139 B15R2.1356 CCCC(=O)N1C[C@H]2CCCC[C@H]2C1 527a_100015204113_100000211992 [0,0,0,2,0,0|1,0,0]=3 16140 B15R2.1356 CCNC(=O)N1C[C@H]2CCCC[C@H]2C1 2708a_100015525214_100015204113 [0,0,0,2,0,0|2,0,0]=4 16141 B15R2.1356 CCNC(=O)N1C[C@H]2CCCC[C@H]2C1 273464a_100015525214_100015204113 [0,0,0,2,0,0|2,0,0]=4 16142 B15R2.1356 COCC(=O)N1C[C@H]2CCCC[C@H]2C1 11a_100015204113_100000210968 [0,0,0,2,0,0|2,0,0]=4 16143 B15R2.1356 COCC(=O)N1C[C@H]2CCCC[C@H]2C1 1626a_100015204113_100000210968 [0,0,0,2,0,0|2,0,0]=4 16144 B15R2.1356 COCC(=O)N1C[C@H]2CCCC[C@H]2C1 240690a_100015204113_100000210968 [0,0,0,2,0,0|2,0,0]=4 16145 B15R2.1356 COCC(=O)N1C[C@H]2CCCC[C@H]2C1 527a_100015204113_100000210968 [0,0,0,2,0,0|2,0,0]=4 16146 B15R2.1356 CSCC(=O)N1C[C@H]2CCCC[C@H]2C1 11a_100015204113_100000184570 [0,0,0,2,0,0|2,0,0]=4 16147 B15R2.1356 CSCC(=O)N1C[C@H]2CCCC[C@H]2C1 1626a_100015204113_100000184570 [0,0,0,2,0,0|2,0,0]=4 16148 B15R2.1356 CSCC(=O)N1C[C@H]2CCCC[C@H]2C1 240690a_100015204113_100000184570 [0,0,0,2,0,0|2,0,0]=4 16149 B15R2.1356 CSCC(=O)N1C[C@H]2CCCC[C@H]2C1 527a_100015204113_100000184570 [0,0,0,2,0,0|2,0,0]=4 16150 B15R2.1356 O=C(CCO)N1C[C@H]2CCCC[C@H]2C1 240690a_100015204113_100011216618 [0,0,0,2,0,0|2,0,0]=4 16151 B15R2.7455 CC1CCCCC1NCC(=O)C2CC2 2230a_100000211402_100000746382 [0,0,0,2,0,0|2,0,0]=4 16152 B15R2.7455 CC1CCCCC1NCC(=O)C2CC2 34a_100000211402_100000746382 [0,0,0,2,0,0|2,0,0]=4 16153 B15R2.7455 CC1CCCCC1OCC(=O)C2CC2 34a_100000211207_100000746382 [0,0,0,2,0,0|2,0,0]=4 16154 B15R2.7455 CC1CCCCC1OCC(=O)C2CC2 7a_100000211207_100000746382 [0,0,0,2,0,0|2,0,0]=4 16155 B15R2.7455 CC1CCCCN1COC(=O)C2CC2 2230a_100000211376_100000140896 [0,0,0,2,0,0|1,0,0]=3 16156 B15R2.7455 CC1CCCCN1COC(=O)C2CC2 269982a_100000211376_100000140896 [0,0,0,2,0,0|1,0,0]=3 16157 B15R2.7455 CC1CCCCN1COC(=O)C2CC2 34a_100000211376_100000140896 [0,0,0,2,0,0|1,0,0]=3 16158 B15R2.7455 CN1CCCCC1CCC(=O)C2CC2 1458a_100000210395_100000211948 [0,0,0,2,0,0|2,0,0]=4 16159 B15R2.7455 CN1CCCCC1CNC(=O)C2CC2 240690a_100011228421_100000210395 [0,0,0,2,0,0|2,0,0]=4 16160 B15R2.7455 CN1CCCCC1CNC(=O)C2CC2 527a_100011228421_100000210395 [0,0,0,2,0,0|2,0,0]=4 16161 B15R2.7455 C[C@H]1COCCN1COC(=O)C2CC2 2230a_100009815349_100000140896 [0,0,0,2,0,0|2,0,0]=4 16162 B15R2.7455 C[C@H]1COCCN1COC(=O)C2CC2 269982a_100009815349_100000140896 [0,0,0,2,0,0|2,0,0]=4 16163 B15R2.7455 C[C@H]1COCCN1COC(=O)C2CC2 34a_100009815349_100000140896 [0,0,0,2,0,0|2,0,0]=4 16164 B15R2.7455 O=C(NCC1CCCCC1O)C2CC2 240690a_100011216029_100000210395 [0,0,0,2,0,0|2,0,0]=4 16165 B15R2.7455 O=C(NCC1CCCCC1O)C2CC2 527a_100011216029_100000210395 [0,0,0,2,0,0|2,0,0]=4 16166 B15R2.17289 CCCC(=O)CNC1CC2CCC1C2 2230a_100000758229_100000747444 [0,0,0,2,0,0|2,0,0]=4 16167 B15R2.17289 CCCC(=O)CSC1CC2CCC1C2 62a_100000727232_100000747444 [0,0,0,2,0,0|2,0,0]=4 16168 B15R2.17289 CCCC(=O)CSC1CC2CCC1C2 62a_100000747444_100000727232 [0,0,0,2,0,0|2,0,0]=4 16169 B15R2.17289 CCCC(=O)OCN1CC2CCC1C2 2230a_100000743476_100000034017 [0,0,0,2,0,0|1,0,0]=3 16170 B15R2.17289 CCCC(=O)OCN1CC2CCC1C2 269982a_100000743476_100000034017 [0,0,0,2,0,0|1,0,0]=3 16171 B15R2.17289 CCCC(=O)OCN1CC2CCC1C2 34a_100000743476_100000034017 [0,0,0,2,0,0|1,0,0]=3 16172 B15R2.17289 CCCC(=O)OCN1C[C@H]2C[C@@H]1CO2 2230a_100016995552_100000034017 [0,0,0,2,0,0|2,0,0]=4 16173 B15R2.17289 CCCC(=O)OCN1C[C@H]2C[C@@H]1CO2 269982a_100016995552_100000034017 [0,0,0,2,0,0|2,0,0]=4 16174 B15R2.17289 CCCC(=O)OCN1C[C@H]2C[C@@H]1CO2 34a_100016995552_100000034017 [0,0,0,2,0,0|2,0,0]=4 16175 B15R2.17289 CCCC(C)OCC1CC2CCC1C2 34a_100000229996_100000766640 [0,0,0,2,0,0|1,0,1]=4 16176 B15R2.1352 CCCC(=O)C1CCN1C2CCCC2 1458a_100000043100_100000210303 [0,0,0,2,0,0|2,0,0]=4 16177 B15R2.5805 CCC1C(=O)NCCN1C2CCCC2 2230a_100000187962_100000179811 [0,0,0,2,0,0|2,0,0]=4 16178 B15R2.5805 CCC1C(=O)NCCN1C2CCCC2 269982a_100000187962_100000179811 [0,0,0,2,0,0|2,0,0]=4 16179 B15R2.5805 CCC1C(=O)NCCN1C2CCCC2 270004a_100000187962_100000210133 [0,0,0,2,0,0|2,0,0]=4 16180 B15R2.5805 CCC1C(=O)NCCN1C2CCCC2 34a_100000187962_100000179811 [0,0,0,2,0,0|2,0,0]=4 16181 B15R2.8877 CC1(CCC1)OCCCC2CCCC2 34a_100000759064_100011713738 [0,0,0,2,0,0|1,0,1]=4 16182 B15R2.8877 CC1(CCC1)OCCCC2CCCC2 7a_100000759064_100011713738 [0,0,0,2,0,0|1,0,1]=4 16183 B15R2.69947 CC(OCCCC1CCCC1)C2CC2 34a_100000744524_100011713738 [0,0,0,2,0,0|1,0,1]=4 16184 B15R2.69947 CC(OCCCC1CCCC1)C2CC2 7a_100000744524_100011713738 [0,0,0,2,0,0|1,0,1]=4 16185 B15R2.69947 O=C(CNCCC1CCCC1)C2CC2 2230a_100000739158_100000746382 [0,0,0,2,0,0|2,0,0]=4 16186 B15R2.69947 O=C(CNCCC1CCCC1)C2CC2 34a_100000739158_100000746382 [0,0,0,2,0,0|2,0,0]=4 16187 B15R2.69947 O=C(COCCC1CCCC1)C2CC2 34a_100000686663_100000760354 [0,0,0,2,0,0|2,0,0]=4 16188 B15R2.69947 O=C(COCCC1CCCC1)C2CC2 34a_100000749090_100000746382 [0,0,0,2,0,0|2,0,0]=4 16189 B15R2.69947 O=C(COCCC1CCCC1)C2CC2 7a_100000749090_100000746382 [0,0,0,2,0,0|2,0,0]=4 16190 B15R2.69947 O=C(CSCCC1CCCC1)C2CC2 62a_100000746382_100000760354 [0,0,0,2,0,0|2,0,0]=4 16191 B15R2.69947 O=C(CSCCC1CCCC1)C2CC2 62a_100000760354_100000746382 [0,0,0,2,0,0|2,0,0]=4 16192 B15R2.69947 O=C(NCCCC1CCCC1)C2CC2 11a_100000736752_100000210395 [0,0,0,2,0,0|1,0,0]=3 16193 B15R2.69947 O=C(NCCCC1CCCC1)C2CC2 1626a_100000736752_100000210395 [0,0,0,2,0,0|1,0,0]=3 16194 B15R2.69947 O=C(NCCCC1CCCC1)C2CC2 240690a_100000736752_100000210395 [0,0,0,2,0,0|1,0,0]=3 16195 B15R2.69947 O=C(NCCCC1CCCC1)C2CC2 527a_100000736752_100000210395 [0,0,0,2,0,0|1,0,0]=3 16196 B15R2.69947 O=C(NCCCC1CCCC1)C2CO2 11a_100000736752_100000701028 [0,0,0,2,0,0|2,0,0]=4 16197 B15R2.69947 O=C(NCCCC1CCCC1)C2CO2 1626a_100000736752_100000701028 [0,0,0,2,0,0|2,0,0]=4 16198 B15R2.69947 O=C(NCCCC1CCCC1)C2CO2 240690a_100000736752_100000701028 [0,0,0,2,0,0|2,0,0]=4 16199 B15R2.69947 O=C(NCCCC1CCCC1)C2CO2 527a_100000736752_100000701028 [0,0,0,2,0,0|2,0,0]=4 16200 B15R2.69947 O=C(NCCCN1CCCC1)C2CC2 240690a_100000204695_100000210395 [0,0,0,2,0,0|2,0,0]=4 16201 B15R2.69947 O=C(NCCOC1CCCC1)C2CC2 11a_100000741755_100000210395 [0,0,0,2,0,0|2,0,0]=4 16202 B15R2.69947 O=C(NCCOC1CCCC1)C2CC2 1626a_100000741755_100000210395 [0,0,0,2,0,0|2,0,0]=4 16203 B15R2.69947 O=C(NCCOC1CCCC1)C2CC2 240690a_100000741755_100000210395 [0,0,0,2,0,0|2,0,0]=4 16204 B15R2.69947 O=C(NCCOC1CCCC1)C2CC2 527a_100000741755_100000210395 [0,0,0,2,0,0|2,0,0]=4 16205 B15R2.69947 O=C(OCNCC1CCCC1)C2CC2 2230a_100000737975_100000140896 [0,0,0,2,0,0|1,0,0]=3 16206 B15R2.69947 O=C(OCNCC1CCCC1)C2CC2 34a_100000737975_100000140896 [0,0,0,2,0,0|1,0,0]=3 16207 B15R2.69947 O=C(OCNCC1CCOC1)C2CC2 2230a_100000737293_100000140896 [0,0,0,2,0,0|2,0,0]=4 16208 B15R2.69947 O=C(OCNCC1CCOC1)C2CC2 34a_100000737293_100000140896 [0,0,0,2,0,0|2,0,0]=4 16209 B15R2.69947 O=C(OCNC[C@@H]1CCCO1)C2CC2 2230a_100020590478_100000140896 [0,0,0,2,0,0|2,0,0]=4 16210 B15R2.69947 O=C(OCNC[C@@H]1CCCO1)C2CC2 34a_100020590478_100000140896 [0,0,0,2,0,0|2,0,0]=4 16211 B15R2.69947 O=C(OCOCC1CCCC1)C2CC2 34a_100000742336_100000140896 [0,0,0,2,0,0|1,0,0]=3 16212 B15R2.69947 O=C(OCOCC1CCCO1)C2CC2 34a_100000210270_100000140896 [0,0,0,2,0,0|2,0,0]=4 16213 B15R2.69947 O=C(OCOCC1CCNC1)C2CC2 34a_100000748654_100000140896 [0,0,0,2,0,0|2,0,0]=4 16214 B15R2.69947 O=C(OCOCC1CCOC1)C2CC2 34a_100000740260_100000140896 [0,0,0,2,0,0|2,0,0]=4 16215 B15R2.69947 O=C(OCOC[C@H]1CCCN1)C2CC2 34a_100000745186_100000140896 [0,0,0,2,0,0|2,0,0]=4 16216 B15R2.69947 O=C(OCSCC1CCCC1)C2CC2 62a_100000140896_100000740388 [0,0,0,2,0,0|1,0,0]=3 16217 B15R2.69947 O=C(OCSCC1CCCC1)C2CC2 62a_100000740388_100000140896 [0,0,0,2,0,0|1,0,0]=3 16218 B15R2.69947 O=C(OCSCC1CCCO1)C2CC2 62a_100000140896_100000203698 [0,0,0,2,0,0|2,0,0]=4 16219 B15R2.69947 O=C(OCSCC1CCCO1)C2CC2 62a_100000203698_100000140896 [0,0,0,2,0,0|2,0,0]=4 16220 B15R2.69947 O=C(OCSCC1CCOC1)C2CC2 62a_100000140896_100000702531 [0,0,0,2,0,0|2,0,0]=4 16221 B15R2.69947 O=C(OCSCC1CCOC1)C2CC2 62a_100000702531_100000140896 [0,0,0,2,0,0|2,0,0]=4 16222 B15R2.218 CCC1C(=O)NCCN1CC2CCC2 2230a_100000187962_100000763275 [0,0,0,2,0,0|2,0,0]=4 16223 B15R2.218 CCC1C(=O)NCCN1CC2CCC2 269982a_100000187962_100000763275 [0,0,0,2,0,0|2,0,0]=4 16224 B15R2.218 CCC1C(=O)NCCN1CC2CCC2 34a_100000187962_100000763275 [0,0,0,2,0,0|2,0,0]=4 16225 B15R2.24492 O=C(OCOCCC1COC1)C2CC2 34a_100009855314_100000140896 [0,0,0,2,0,0|2,0,0]=4 16226 B15R2.17333 CCCC(=O)N1C[C@H]2C[C@@H]1CN2CC 11a_200016994038_100000211992 [0,0,0,2,0,0|2,0,0]=4 16227 B15R2.17333 CCCC(=O)N1C[C@H]2C[C@@H]1CN2CC 1626a_200016994038_100000211992 [0,0,0,2,0,0|2,0,0]=4 16228 B15R2.17333 CCCC(=O)N1C[C@H]2C[C@@H]1CN2CC 240690a_200016994038_100000211992 [0,0,0,2,0,0|2,0,0]=4 16229 B15R2.17333 CCCC(=O)N1C[C@H]2C[C@@H]1CN2CC 527a_200016994038_100000211992 [0,0,0,2,0,0|2,0,0]=4 16230 B15R2.17712 CCCCN1CCN2C(=O)OCC2C1 2230a_100000689011_100000210211 [0,0,0,2,0,0|2,0,0]=4 16231 B15R2.17712 CCCCN1CCN2C(=O)OCC2C1 269982a_100000689011_100000210211 [0,0,0,2,0,0|2,0,0]=4 16232 B15R2.1350 CCCC(=O)N1CCN2CCC[C@@H]2C1 240690a_100000008389_100000211992 [0,0,0,2,0,0|2,0,0]=4 16233 B15R2.1350 CCCC(=O)N1CCN2CCC[C@@H]2C1 527a_100000008389_100000211992 [0,0,0,2,0,0|2,0,0]=4 16234 B15R2.4352 CCCC(=O)OCN1CCCC12CC2 2230a_100020620911_100000034017 [0,0,0,2,0,0|1,0,0]=3 16235 B15R2.4352 CCCC(=O)OCN1CCCC12CC2 269982a_100020620911_100000034017 [0,0,0,2,0,0|1,0,0]=3 16236 B15R2.4352 CCCC(=O)OCN1CCCC12CC2 34a_100020620911_100000034017 [0,0,0,2,0,0|1,0,0]=3 16237 B15R2.5345 CCC1CCCN1COC(=O)C2CC2 2230a_100000754278_100000140896 [0,0,0,2,0,0|1,0,0]=3 16238 B15R2.5345 CCC1CCCN1COC(=O)C2CC2 269982a_100000754278_100000140896 [0,0,0,2,0,0|1,0,0]=3 16239 B15R2.5345 CCC1CCCN1COC(=O)C2CC2 34a_100000754278_100000140896 [0,0,0,2,0,0|1,0,0]=3 16240 B15R2.5345 CCN1CCCC1CNC(=O)C2CC2 11a_100000211693_100000210395 [0,0,0,2,0,0|2,0,0]=4 16241 B15R2.5345 CCN1CCCC1CNC(=O)C2CC2 1626a_100000211693_100000210395 [0,0,0,2,0,0|2,0,0]=4 16242 B15R2.5345 CCN1CCCC1CNC(=O)C2CC2 240690a_100000211693_100000210395 [0,0,0,2,0,0|2,0,0]=4 16243 B15R2.5345 CCN1CCCC1CNC(=O)C2CC2 527a_100000211693_100000210395 [0,0,0,2,0,0|2,0,0]=4 16244 B15R2.5345 O=C(OCN1CCC[C@@H]1CO)C2CC2 2230a_100000745186_100000140896 [0,0,0,2,0,0|2,0,0]=4 16245 B15R2.5345 O=C(OCN1CCC[C@@H]1CO)C2CC2 269982a_100000745186_100000140896 [0,0,0,2,0,0|2,0,0]=4 16246 B15R2.5345 O=C(OCN1CCC[C@@H]1CO)C2CC2 34a_100000745186_100000140896 [0,0,0,2,0,0|2,0,0]=4 16247 B15R2.2146 CCCC(=O)CN1C[C@H]2CCC[C@H]2C1 2230a_100102946302_100000747444 [0,0,0,2,0,0|2,0,0]=4 16248 B15R2.2146 CCCC(=O)CN1C[C@H]2CCC[C@H]2C1 269982a_100102946302_100000747444 [0,0,0,2,0,0|2,0,0]=4 16249 B15R2.7643 CC1CCCC1OCOC(=O)C2CC2 34a_100011216460_100000140896 [0,0,0,2,0,0|1,0,0]=3 16250 B15R2.7643 CN1CCCC1CCNC(=O)C2CC2 240690a_100011219722_100000210395 [0,0,0,2,0,0|2,0,0]=4 16251 B15R2.7643 CN1CCCC1CCNC(=O)C2CC2 527a_100011219722_100000210395 [0,0,0,2,0,0|2,0,0]=4 16252 B15R2.7643 C[C@@H]1CNC[C@@H]1OCOC(=O)C2CC2 34a_200015306588_100000140896 [0,0,0,2,0,0|2,0,0]=4 16253 B15R2.7643 N[C@H]1CCC[C@@H]1OCOC(=O)C2CC2 34a_100000748460_100000140896 [0,0,0,2,0,0|2,0,0]=4 16254 B15R2.7643 O=C(OCO[C@@H]1CCC[C@H]1Cl)C2CC2 34a_200016002552_100000140896 [0,0,0,2,0,0|2,0,0]=4 16255 B15R2.7643 O=C(OCS[C@@H]1CCC[C@H]1O)C2CC2 62a_100000140896_200016002552 [0,0,0,2,0,0|2,0,0]=4 16256 B15R2.7643 O=C(OCS[C@@H]1CCC[C@H]1O)C2CC2 62a_200016002552_100000140896 [0,0,0,2,0,0|2,0,0]=4 16257 B15R2.219 CCC1C(=O)NCCN1CCC2CC2 2230a_100000187962_100000694398 [0,0,0,2,0,0|2,0,0]=4 16258 B15R2.219 CCC1C(=O)NCCN1CCC2CC2 269982a_100000187962_100000694398 [0,0,0,2,0,0|2,0,0]=4 16259 B15R2.219 CCC1C(=O)NCCN1CCC2CC2 34a_100000187962_100000694398 [0,0,0,2,0,0|2,0,0]=4 16260 B15R2.16448 O=C(OCOCCNC1CC1)C2CC2 34a_100000738766_100000140896 [0,0,0,2,0,0|2,0,0]=4 16261 B15R2.16448 O=C(OCSCCCC1CO1)C2CC2 62a_100000140896_100000733510 [0,0,0,2,0,0|2,0,0]=4 16262 B15R2.16448 O=C(OCSCCCC1CO1)C2CC2 62a_100000733510_100000140896 [0,0,0,2,0,0|2,0,0]=4 16263 B15R2.4930 CCC1CCCCN1CC(=O)C2CC2 2230a_100000210034_100000746382 [0,0,0,2,0,0|2,0,0]=4 16264 B15R2.4930 CCC1CCCCN1CC(=O)C2CC2 269982a_100000210034_100000746382 [0,0,0,2,0,0|2,0,0]=4 16265 B15R2.4930 CCC1CCCCN1CC(=O)C2CC2 34a_100000210034_100000746382 [0,0,0,2,0,0|2,0,0]=4 16266 B15R2.4930 COC1CCCCC1NC(=O)C2CC2 11a_100011208099_100000210395 [0,0,0,2,0,0|2,0,0]=4 16267 B15R2.4930 COC1CCCCC1NC(=O)C2CC2 1626a_100011208099_100000210395 [0,0,0,2,0,0|2,0,0]=4 16268 B15R2.4930 COC1CCCCC1NC(=O)C2CC2 240690a_100011208099_100000210395 [0,0,0,2,0,0|2,0,0]=4 16269 B15R2.4930 COC1CCCCC1NC(=O)C2CC2 527a_100011208099_100000210395 [0,0,0,2,0,0|2,0,0]=4 16270 B15R2.3778 O=C(C1CC1)N2CCCCCCCC2 11a_100000039187_100000210395 [0,0,0,2,0,0|1,0,0]=3 16271 B15R2.3778 O=C(C1CC1)N2CCCCCCCC2 1626a_100000039187_100000210395 [0,0,0,2,0,0|1,0,0]=3 16272 B15R2.3778 O=C(C1CC1)N2CCCCCCCC2 240690a_100000039187_100000210395 [0,0,0,2,0,0|1,0,0]=3 16273 B15R2.3778 O=C(C1CC1)N2CCCCCCCC2 527a_100000039187_100000210395 [0,0,0,2,0,0|1,0,0]=3 16274 B15R2.3778 O=C(C1CO1)N2CCCCCCCC2 11a_100000039187_100000701028 [0,0,0,2,0,0|2,0,0]=4 16275 B15R2.3778 O=C(C1CO1)N2CCCCCCCC2 1626a_100000039187_100000701028 [0,0,0,2,0,0|2,0,0]=4 16276 B15R2.3778 O=C(C1CO1)N2CCCCCCCC2 240690a_100000039187_100000701028 [0,0,0,2,0,0|2,0,0]=4 16277 B15R2.3778 O=C(C1CO1)N2CCCCCCCC2 527a_100000039187_100000701028 [0,0,0,2,0,0|2,0,0]=4 16278 B15R2.69936 O=C(CN1CCCCCCC1)C2CC2 2230a_100000211400_100000746382 [0,0,0,2,0,0|2,0,0]=4 16279 B15R2.69936 O=C(CN1CCCCCCC1)C2CC2 269982a_100000211400_100000746382 [0,0,0,2,0,0|2,0,0]=4 16280 B15R2.69936 O=C(CN1CCCCCCC1)C2CC2 34a_100000211400_100000746382 [0,0,0,2,0,0|2,0,0]=4 16281 B15R2.69936 O=C(NC1CCCCCCC1)C2CC2 11a_100000211152_100000210395 [0,0,0,2,0,0|1,0,0]=3 16282 B15R2.69936 O=C(NC1CCCCCCC1)C2CC2 1626a_100000211152_100000210395 [0,0,0,2,0,0|1,0,0]=3 16283 B15R2.69936 O=C(NC1CCCCCCC1)C2CC2 240690a_100000211152_100000210395 [0,0,0,2,0,0|1,0,0]=3 16284 B15R2.69936 O=C(NC1CCCCCCC1)C2CC2 527a_100000211152_100000210395 [0,0,0,2,0,0|1,0,0]=3 16285 B15R2.69936 O=C(NC1CCCCCCC1)C2CO2 11a_100000211152_100000701028 [0,0,0,2,0,0|2,0,0]=4 16286 B15R2.69936 O=C(NC1CCCCCCC1)C2CO2 1626a_100000211152_100000701028 [0,0,0,2,0,0|2,0,0]=4 16287 B15R2.69936 O=C(NC1CCCCCCC1)C2CO2 240690a_100000211152_100000701028 [0,0,0,2,0,0|2,0,0]=4 16288 B15R2.69936 O=C(NC1CCCCCCC1)C2CO2 527a_100000211152_100000701028 [0,0,0,2,0,0|2,0,0]=4 16289 B15R2.70120 CC(OCC1CCCCCC1)C2CC2 34a_100000744524_200000696569 [0,0,0,2,0,0|1,0,1]=4 16290 B15R2.70120 CC(OCC1CCCCCC1)C2CC2 7a_100000744524_200000696569 [0,0,0,2,0,0|1,0,1]=4 16291 B15R2.70120 O=C(CCN1CCCCCC1)C2CC2 1458a_100000210395_100000722644 [0,0,0,2,0,0|2,0,0]=4 16292 B15R2.70120 O=C(CNC1CCCCCC1)C2CC2 2230a_100000210984_100000746382 [0,0,0,2,0,0|2,0,0]=4 16293 B15R2.70120 O=C(CNC1CCCCCC1)C2CC2 34a_100000210984_100000746382 [0,0,0,2,0,0|2,0,0]=4 16294 B15R2.70120 O=C(COC1CCCCCC1)C2CC2 34a_100000210887_100000746382 [0,0,0,2,0,0|2,0,0]=4 16295 B15R2.70120 O=C(COC1CCCCCC1)C2CC2 34a_100000686663_100011217769 [0,0,0,2,0,0|2,0,0]=4 16296 B15R2.70120 O=C(COC1CCCCCC1)C2CC2 7a_100000210887_100000746382 [0,0,0,2,0,0|2,0,0]=4 16297 B15R2.70120 O=C(CSC1CCCCCC1)C2CC2 62a_100000746382_100011217769 [0,0,0,2,0,0|2,0,0]=4 16298 B15R2.70120 O=C(CSC1CCCCCC1)C2CC2 62a_100011217769_100000746382 [0,0,0,2,0,0|2,0,0]=4 16299 B15R2.70120 O=C(NCC1CCCCCC1)C2CC2 11a_100015204231_100000210395 [0,0,0,2,0,0|1,0,0]=3 16300 B15R2.70120 O=C(NCC1CCCCCC1)C2CC2 1626a_100015204231_100000210395 [0,0,0,2,0,0|1,0,0]=3 16301 B15R2.70120 O=C(NCC1CCCCCC1)C2CC2 240690a_100015204231_100000210395 [0,0,0,2,0,0|1,0,0]=3 16302 B15R2.70120 O=C(NCC1CCCCCC1)C2CC2 527a_100015204231_100000210395 [0,0,0,2,0,0|1,0,0]=3 16303 B15R2.70120 O=C(NCC1CCCCCC1)C2CO2 11a_100015204231_100000701028 [0,0,0,2,0,0|2,0,0]=4 16304 B15R2.70120 O=C(NCC1CCCCCC1)C2CO2 1626a_100015204231_100000701028 [0,0,0,2,0,0|2,0,0]=4 16305 B15R2.70120 O=C(NCC1CCCCCC1)C2CO2 240690a_100015204231_100000701028 [0,0,0,2,0,0|2,0,0]=4 16306 B15R2.70120 O=C(NCC1CCCCCC1)C2CO2 527a_100015204231_100000701028 [0,0,0,2,0,0|2,0,0]=4 16307 B15R2.70120 O=C(OCN1CCCCCC1)C2CC2 2230a_100000185865_100000140896 [0,0,0,2,0,0|1,0,0]=3 16308 B15R2.70120 O=C(OCN1CCCCCC1)C2CC2 269982a_100000185865_100000140896 [0,0,0,2,0,0|1,0,0]=3 16309 B15R2.70120 O=C(OCN1CCCCCC1)C2CC2 34a_100000185865_100000140896 [0,0,0,2,0,0|1,0,0]=3 16310 B15R2.70120 O=C(OCN1CCCOCC1)C2CC2 2230a_100000685342_100000140896 [0,0,0,2,0,0|2,0,0]=4 16311 B15R2.70120 O=C(OCN1CCCOCC1)C2CC2 269982a_100000685342_100000140896 [0,0,0,2,0,0|2,0,0]=4 16312 B15R2.70120 O=C(OCN1CCCOCC1)C2CC2 34a_100000685342_100000140896 [0,0,0,2,0,0|2,0,0]=4 16313 B15R2.49305 CC1(CCC1)OCC2CCCCCC2 34a_100000759064_200000696569 [0,0,0,2,0,0|1,0,1]=4 16314 B15R2.49305 CC1(CCC1)OCC2CCCCCC2 7a_100000759064_200000696569 [0,0,0,2,0,0|1,0,1]=4