0 B10R0.3 C#CCC(=O)CCOC(=O)C 1458a_100011220946_100009814007 [0,0,0,0,0,0|0,1,3]=4 1 B10R0.3 C#CCC(C)OCOC(=O)C 34a_100000685586_100009813279 [0,0,0,0,0,0|2,0,2]=4 2 B10R0.3 C#CCN(C)CCOC(=O)C 34a_100000225692_100009814007 [0,0,0,0,0,0|2,0,2]=4 3 B10R0.3 C/C=C/C(C)OCOC(=O)C 34a_200102604097_100009813279 [0,0,0,0,0,0|2,0,2]=4 4 B10R0.3 C=C(C)CCNC(C)CCC 2230a_100000741246_100000730704 [0,0,0,0,0,0|4,0,0]=4 5 B10R0.3 C=C(C)CCOC(C)CCC 34a_100000764384_100000730704 [0,0,0,0,0,0|4,0,0]=4 6 B10R0.3 C=C(C)CCOC(C)CCC 34a_100000764851_100000766640 [0,0,0,0,0,0|4,0,0]=4 7 B10R0.3 C=C(C)CCOC(C)CCC 7a_100000764384_100000730704 [0,0,0,0,0,0|4,0,0]=4 8 B10R0.3 C=C(C)CCSC(C)CCC 62a_100000730704_100000766640 [0,0,0,0,0,0|4,0,0]=4 9 B10R0.3 C=C(C)CCSC(C)CCC 62a_100000766640_100000730704 [0,0,0,0,0,0|4,0,0]=4 10 B10R0.3 C=C(C)COCC(C)CCC 34a_100000210245_100011216630 [0,0,0,0,0,0|4,0,0]=4 11 B10R0.3 C=C(C)COCC(C)CCC 34a_100000688023_100000748629 [0,0,0,0,0,0|4,0,0]=4 12 B10R0.3 C=C(C)COCC(C)CCC 7a_100000688023_100000748629 [0,0,0,0,0,0|4,0,0]=4 13 B10R0.3 C=C(C)COC[C@@H](N)CCC 34a_100000732646_100000748629 [0,0,0,0,0,0|4,0,0]=4 14 B10R0.3 C=C(C)CSCC(C)CCC 62a_100000748629_100011216630 [0,0,0,0,0,0|4,0,0]=4 15 B10R0.3 C=C(C)CSCC(C)CCC 62a_100011216630_100000211660 [0,0,0,0,0,0|4,0,0]=4 16 B10R0.3 C=CCC(=O)CCOC(=O)C 1458a_100000210193_100009814007 [0,0,0,0,0,0|0,1,3]=4 17 B10R0.3 C=CCN(C)CCOC(=O)C 269982a_100000225617_100009814007 [0,0,0,0,0,0|2,0,2]=4 18 B10R0.3 C=CC[C@@H](C)OCOC(=O)C 34a_100000731007_100009813279 [0,0,0,0,0,0|2,0,2]=4 19 B10R0.3 CC#CC(=O)CCOC(=O)C 1458a_100000763181_100009814007 [0,0,0,0,0,0|0,1,3]=4 20 B10R0.3 CC#CC(C)OCOC(=O)C 34a_100011216543_100009813279 [0,0,0,0,0,0|2,0,2]=4 21 B10R0.3 CC(=O)CCCC(=O)CCO 1458a_100011216618_100011215641 [0,0,0,0,0,0|2,1,1]=4 22 B10R0.3 CC(=O)CCCN(C)CCO 269982a_100000210263_100011215641 [0,0,0,0,0,0|4,0,0]=4 23 B10R0.3 CC(=O)CCOC(C)CCO 34a_100000759926_100009893172 [0,0,0,0,0,0|4,0,0]=4 24 B10R0.3 CC(=O)CCOC(C)CCO 7a_100000759926_100009893172 [0,0,0,0,0,0|4,0,0]=4 25 B10R0.3 CC(=O)CCSC(C)CCO 62a_100000053229_100009893172 [0,0,0,0,0,0|4,0,0]=4 26 B10R0.3 CC(=O)CCSC(C)CCO 62a_100009893172_100000053229 [0,0,0,0,0,0|4,0,0]=4 27 B10R0.3 CC(=O)NCCC(=O)CCF 1458a_100000183196_100011217306 [0,0,0,0,0,0|2,1,1]=4 28 B10R0.3 CC(=O)NCCC(=O)CCO 1458a_100000183196_100000211926 [0,0,0,0,0,0|2,1,1]=4 29 B10R0.3 CC(=O)NCCC(=O)CCO 1458a_100011216618_100000189650 [0,0,0,0,0,0|2,1,1]=4 30 B10R0.3 CC(=O)NCCN(C)CCO 2230a_100000210263_100000189650 [0,0,0,0,0,0|4,0,0]=4 31 B10R0.3 CC(=O)NCCN(C)CCO 269982a_100000210263_100000189650 [0,0,0,0,0,0|4,0,0]=4 32 B10R0.3 CC(=O)OCCC(=O)CC#N 1458a_100051588842_100009814007 [0,0,0,0,0,0|1,1,2]=4 33 B10R0.3 CC(=O)OCCC(=O)CCO 1458a_100011216618_100009814007 [0,0,0,0,0,0|1,1,1]=3 34 B10R0.3 CC(=O)OCCN(C)CCO 269982a_100000210263_100009814007 [0,0,0,0,0,0|3,0,0]=3 35 B10R0.3 CC(=O)OCN[C@H](C)CCO 34a_100000706166_100009813279 [0,0,0,0,0,0|3,0,0]=3 36 B10R0.3 CC(=O)OCOC(C)CCBr 34a_100012276601_100009813279 [0,0,0,0,0,0|3,0,0]=3 37 B10R0.3 CC(=O)OCSC(C)CC#N 62a_100000076356_100009813641 [0,0,0,0,0,0|3,0,1]=4 38 B10R0.3 CC(=O)OCSC(C)CC#N 62a_100009813641_100000076356 [0,0,0,0,0,0|3,0,1]=4 39 B10R0.3 CC(=O)OCSC(C)CCO 62a_100000076356_100009893172 [0,0,0,0,0,0|3,0,0]=3 40 B10R0.3 CC(=O)OCSC(C)CCO 62a_100009893172_100000076356 [0,0,0,0,0,0|3,0,0]=3 41 B10R0.3 CC(=O)SCCC(=O)CCF 1458a_100000048949_100011217306 [0,0,0,0,0,0|1,2,1]=4 42 B10R0.3 CC(=O)SCCC(=O)CCO 1458a_100000048949_100000211926 [0,0,0,0,0,0|1,2,1]=4 43 B10R0.3 CC=CC(=O)CCOC(=O)C 1458a_100000210699_100009814007 [0,0,0,0,0,0|0,1,3]=4 44 B10R0.3 CCCC(=O)CCC=C(C)C 1458a_100000211992_100011217483 [0,0,0,0,0,0|2,1,1]=4 45 B10R0.3 CCCC(=O)CCCC(=O)C 1458a_100000211992_100011215641 [0,0,0,0,0,0|1,1,1]=3 46 B10R0.3 CCCC(=O)CCCC(=O)N 1458a_100000211992_100102525003 [0,0,0,0,0,0|2,1,1]=4 47 B10R0.3 CCCC(=O)CCNC(=O)C 1458a_100000183196_100000210303 [0,0,0,0,0,0|1,1,1]=3 48 B10R0.3 CCCC(=O)CCNC(=O)C 1458a_100000211992_100000189650 [0,0,0,0,0,0|1,1,1]=3 49 B10R0.3 CCCC(=O)CCNC(=O)N 1458a_100000181464_100000210303 [0,0,0,0,0,0|2,1,1]=4 50 B10R0.3 CCCC(=O)CCNC(=O)N 1458a_100000211992_200000034859 [0,0,0,0,0,0|2,1,1]=4 51 B10R0.3 CCCC(=O)CCOC(=O)C 1458a_100000211992_100009814007 [0,0,0,0,0,0|0,1,1]=2 52 B10R0.3 CCCC(=O)CCOC(=O)N 1458a_100000211992_200011214921 [0,0,0,0,0,0|1,1,1]=3 53 B10R0.3 CCCC(=O)CCOC(C)C 1458a_100000211992_100000211751 [0,0,0,0,0,0|1,1,2]=4 54 B10R0.3 CCCC(=O)CCSC(=O)C 1458a_100000048949_100000210303 [0,0,0,0,0,0|0,2,1]=3 55 B10R0.3 CCCC(C)C=NNC(=O)C 4a_100000189765_100000243154 [0,0,0,0,0,0|3,0,1]=4 56 B10R0.3 CCCC(C)CCOC(C)C 34a_100011217855_100000210206 [0,0,0,0,0,0|2,0,1]=3 57 B10R0.3 CCCC(C)CCOC(C)C 7a_100011217855_100000210206 [0,0,0,0,0,0|2,0,1]=3 58 B10R0.3 CCCC(C)CNCC(=O)N 2230a_100000711301_100011216630 [0,0,0,0,0,0|4,0,0]=4 59 B10R0.3 CCCC(C)CNCC(=O)O 269956a_100016091260_100011216630 [0,0,0,0,0,0|4,0,0]=4 60 B10R0.3 CCCC(C)COCC(=O)C 34a_100000211253_100011216630 [0,0,0,0,0,0|3,0,0]=3 61 B10R0.3 CCCC(C)COCC(=O)N 34a_100000688023_100000187820 [0,0,0,0,0,0|4,0,0]=4 62 B10R0.3 CCCC(C)COCC(=O)N 7a_100000688023_100000187820 [0,0,0,0,0,0|4,0,0]=4 63 B10R0.3 CCCC(C)COCC(=O)[O-] 34a_100000688023_100020667443 [0,0,0,0,0,0|4,0,0]=4 64 B10R0.3 CCCC(C)CSCC(=O)N 62a_100000747473_100011216630 [0,0,0,0,0,0|4,0,0]=4 65 B10R0.3 CCCC(C)CSCC(=O)N 62a_100011216630_100000747473 [0,0,0,0,0,0|4,0,0]=4 66 B10R0.3 CCCC(C)CSCC(=O)[O-] 62a_100011216630_100020667443 [0,0,0,0,0,0|4,0,0]=4 67 B10R0.3 CCCC(C)CSCC(=O)[O-] 62a_100020667443_100011216630 [0,0,0,0,0,0|4,0,0]=4 68 B10R0.3 CCCC(C)NCC=C(C)C 2230a_100000741246_100000761012 [0,0,0,0,0,0|4,0,0]=4 69 B10R0.3 CCCC(C)NCC=C(C)C 270004a_100000718196_100000211909 [0,0,0,0,0,0|4,0,0]=4 70 B10R0.3 CCCC(C)NCC=C(C)C 34a_100000718196_100000766640 [0,0,0,0,0,0|4,0,0]=4 71 B10R0.3 CCCC(C)NCCC(=O)N 2230a_100000741246_100000744528 [0,0,0,0,0,0|4,0,0]=4 72 B10R0.3 CCCC(C)NCOC(C)C 2230a_100000741246_100000709892 [0,0,0,0,0,0|3,0,1]=4 73 B10R0.3 CCCC(C)OCC=C(C)C 34a_100000753907_100000766640 [0,0,0,0,0,0|4,0,0]=4 74 B10R0.3 CCCC(C)OCC=C(C)C 34a_100000764384_100000761012 [0,0,0,0,0,0|4,0,0]=4 75 B10R0.3 CCCC(C)OCC=C(C)C 7a_100000764384_100000761012 [0,0,0,0,0,0|4,0,0]=4 76 B10R0.3 CCCC(C)OCCC(=O)C 34a_100000759926_100000766640 [0,0,0,0,0,0|3,0,0]=3 77 B10R0.3 CCCC(C)OCCC(=O)C 7a_100000759926_100000766640 [0,0,0,0,0,0|3,0,0]=3 78 B10R0.3 CCCC(C)OCCC(=O)C 7a_100000764384_100000053229 [0,0,0,0,0,0|3,0,0]=3 79 B10R0.3 CCCC(C)OCCC(=O)N 34a_100000757172_100000766640 [0,0,0,0,0,0|4,0,0]=4 80 B10R0.3 CCCC(C)OCCC(=O)N 34a_100000764384_100000731001 [0,0,0,0,0,0|4,0,0]=4 81 B10R0.3 CCCC(C)OCCC(=O)N 7a_100000757172_100000766640 [0,0,0,0,0,0|4,0,0]=4 82 B10R0.3 CCCC(C)OCCC(=O)N 7a_100000764384_100000744528 [0,0,0,0,0,0|4,0,0]=4 83 B10R0.3 CCCC(C)OCOC(=O)C 34a_100000764384_100009813279 [0,0,0,0,0,0|2,0,0]=2 84 B10R0.3 CCCC(C)OCOC(C)C 34a_100000764384_100000709892 [0,0,0,0,0,0|3,0,1]=4 85 B10R0.3 CCCC(C)SCC=C(C)C 62a_100000761012_100000766640 [0,0,0,0,0,0|4,0,0]=4 86 B10R0.3 CCCC(C)SCC=C(C)C 62a_100000766640_100000761012 [0,0,0,0,0,0|4,0,0]=4 87 B10R0.3 CCCC(C)SCCC(=O)C 62a_100000053229_100000766640 [0,0,0,0,0,0|3,0,0]=3 88 B10R0.3 CCCC(C)SCCC(=O)C 62a_100000766640_100000053229 [0,0,0,0,0,0|3,0,0]=3 89 B10R0.3 CCCC(C)SCCC(=O)N 62a_100000744528_100000766640 [0,0,0,0,0,0|4,0,0]=4 90 B10R0.3 CCCC(C)SCCC(=O)N 62a_100000766640_100000744528 [0,0,0,0,0,0|4,0,0]=4 91 B10R0.3 CCCC(C)SCOC(=O)C 62a_100000076356_100000766640 [0,0,0,0,0,0|2,0,0]=2 92 B10R0.3 CCCC(C)SCOC(=O)C 62a_100000766640_100000076356 [0,0,0,0,0,0|2,0,0]=2 93 B10R0.3 CCCC(C)SCOC(C)C 62a_100000709892_100000766640 [0,0,0,0,0,0|3,0,1]=4 94 B10R0.3 CCCC(C)SCOC(C)C 62a_100000766640_100000709892 [0,0,0,0,0,0|3,0,1]=4 95 B10R0.3 CCCN(C)CCC=C(C)C 2230a_100000747261_100011217483 [0,0,0,0,0,0|4,0,0]=4 96 B10R0.3 CCCN(C)CCC=C(C)C 269982a_100000747261_100011217483 [0,0,0,0,0,0|4,0,0]=4 97 B10R0.3 CCCN(C)CCCC(=O)C 269982a_100000747261_100011215641 [0,0,0,0,0,0|3,0,0]=3 98 B10R0.3 CCCN(C)CCCC(=O)N 269982a_100000747261_100102525003 [0,0,0,0,0,0|4,0,0]=4 99 B10R0.3 CCCN(C)CCCC(=O)O 269956a_100000719178_100000210207 [0,0,0,0,0,0|4,0,0]=4 100 B10R0.3 CCCN(C)CCNC(=O)C 2230a_100000747261_100000189650 [0,0,0,0,0,0|3,0,0]=3 101 B10R0.3 CCCN(C)CCNC(=O)C 269982a_100000747261_100000189650 [0,0,0,0,0,0|3,0,0]=3 102 B10R0.3 CCCN(C)CCNC(=O)N 2230a_100000747261_200000034859 [0,0,0,0,0,0|4,0,0]=4 103 B10R0.3 CCCN(C)CCNC(=O)N 269982a_100000747261_200000034859 [0,0,0,0,0,0|4,0,0]=4 104 B10R0.3 CCCN(C)CCOC(=O)C 269982a_100000747261_100009814007 [0,0,0,0,0,0|2,0,0]=2 105 B10R0.3 CCCN(C)CCOC(=O)N 269982a_100000747261_200011214921 [0,0,0,0,0,0|3,0,0]=3 106 B10R0.3 CCCN(C)CCOC(C)C 2230a_100000747261_100000211751 [0,0,0,0,0,0|3,0,1]=4 107 B10R0.3 CCCN(C)CCOC(C)C 269982a_100000747261_100000211751 [0,0,0,0,0,0|3,0,1]=4 108 B10R0.3 CCC[C@H](N)CCOC(C)C 34a_100015193777_100000210206 [0,0,0,0,0,0|2,0,1]=3 109 B10R0.3 CCC[C@H](N)COCC(=O)N 34a_100000732646_100000187820 [0,0,0,0,0,0|4,0,0]=4 110 B10R0.3 CCC[C@H](N)COCC(=O)[O-] 34a_100000732646_100020667443 [0,0,0,0,0,0|4,0,0]=4 111 B10R0.3 CCNC(=O)CCCC(=O)C 1458a_100000199580_200000210301 [0,0,0,0,0,0|2,1,1]=4 112 B10R0.3 CCNC(=O)CCCC(=O)[13CH3] 1458a_100000199580_200025704644 [0,0,0,0,0,0|2,1,1]=4 113 B10R0.3 CCNC(=O)CCNC(=O)C 11a_100015525214_100000183196 [0,0,0,0,0,0|2,1,1]=4 114 B10R0.3 CCNC(=O)CCNC(=O)C 11a_100025743525_100015343762 [0,0,0,0,0,0|2,1,1]=4 115 B10R0.3 CCNC(=O)CCNC(=O)C 1626a_100025743525_100015343762 [0,0,0,0,0,0|2,1,1]=4 116 B10R0.3 CCNC(=O)CCNC(=O)C 240690a_100015525214_100000183196 [0,0,0,0,0,0|2,1,1]=4 117 B10R0.3 CCNC(=O)CCNC(=O)C 240690a_100025743525_100015343762 [0,0,0,0,0,0|2,1,1]=4 118 B10R0.3 CCNC(=O)CCNC(=O)C 527a_100015525214_100000183196 [0,0,0,0,0,0|2,1,1]=4 119 B10R0.3 CCNC(=O)CCNC(=O)C 527a_100025743525_100103153847 [0,0,0,0,0,0|2,1,1]=4 120 B10R0.3 CCNC(=O)CCSC(=O)C 240690a_100015525214_100000048949 [0,0,0,0,0,0|1,2,1]=4 121 B10R0.3 CCNC(C)CCC=C(C)C 270004a_100015525214_100000765506 [0,0,0,0,0,0|4,0,0]=4 122 B10R0.3 CCNC(C)CCOC(C)C 270004a_100015525214_200011219172 [0,0,0,0,0,0|3,0,1]=4 123 B10R0.3 CCOC(=O)CCCC(=O)C 1458a_100000070787_100011215271 [0,0,0,0,0,0|2,1,1]=4 124 B10R0.3 CCOC(=O)CCCC(=O)C 1458a_100000210991_200000210301 [0,0,0,0,0,0|2,1,1]=4 125 B10R0.3 CCOC(=O)CCCC(=O)[13CH3] 1458a_100000210991_200025704644 [0,0,0,0,0,0|2,1,1]=4 126 B10R0.3 CCOC(=O)CCNC(=O)C 188690a_100000746078_100015343762 [0,0,0,0,0,0|2,1,1]=4 127 B10R0.3 CCOC(C)CCC=C(C)C 34a_100102619829_100000210202 [0,0,0,0,0,0|4,0,0]=4 128 B10R0.3 CCOC(C)CCC=C(C)C 7a_100102619829_100000210202 [0,0,0,0,0,0|4,0,0]=4 129 B10R0.3 CCOC(C)CCCC(=O)[O-] 7a_100000761597_100000210202 [0,0,0,0,0,0|4,0,0]=4 130 B10R0.3 CN(CCO)CCOC(=O)N 269982a_100000210263_200011214921 [0,0,0,0,0,0|4,0,0]=4 131 B10R0.3 CNCC(C)CCC=C(C)C 270004a_106832991635_100000033009 [0,0,0,0,0,0|4,0,0]=4 132 B10R0.3 COCC(=O)CCCC(=O)C 1458a_100000210968_100011215641 [0,0,0,0,0,0|2,1,1]=4 133 B10R0.3 COCC(=O)CCNC(=O)C 1458a_100000210968_100000189650 [0,0,0,0,0,0|2,1,1]=4 134 B10R0.3 COCC(=O)CCOC(=O)C 1458a_100000210968_100009814007 [0,0,0,0,0,0|1,1,1]=3 135 B10R0.3 COCC(=O)CCOC(=O)N 1458a_100000210968_200011214921 [0,0,0,0,0,0|2,1,1]=4 136 B10R0.3 COCC(C)OCCC(=O)C 34a_100000759926_100000765312 [0,0,0,0,0,0|4,0,0]=4 137 B10R0.3 COCC(C)OCCC(=O)C 7a_100000759926_100000765312 [0,0,0,0,0,0|4,0,0]=4 138 B10R0.3 COCC(C)SCCC(=O)C 62a_100000053229_100000765312 [0,0,0,0,0,0|4,0,0]=4 139 B10R0.3 COCC(C)SCCC(=O)C 62a_100000765312_100000053229 [0,0,0,0,0,0|4,0,0]=4 140 B10R0.3 COCC(C)SCOC(=O)C 62a_100000076356_100000765312 [0,0,0,0,0,0|3,0,0]=3 141 B10R0.3 COCC(C)SCOC(=O)C 62a_100000765312_100000076356 [0,0,0,0,0,0|3,0,0]=3 142 B10R0.3 COCC(O)COCC(=O)C 34a_100000211253_100011215053 [0,0,0,0,0,0|3,1,0]=4 143 B10R0.3 COC[C@@H](C)OCOC(=O)C 34a_100011934205_100009813279 [0,0,0,0,0,0|3,0,0]=3 144 B10R0.3 CSCC(=O)CCCC(=O)C 1458a_100000184570_100011215641 [0,0,0,0,0,0|2,1,1]=4 145 B10R0.3 CSCC(=O)CCNC(=O)C 1458a_100000184570_100000189650 [0,0,0,0,0,0|2,1,1]=4 146 B10R0.3 CSCC(=O)CCOC(=O)C 1458a_100000184570_100009814007 [0,0,0,0,0,0|1,1,1]=3 147 B10R0.3 CSCC(=O)CCOC(=O)N 1458a_100000184570_200011214921 [0,0,0,0,0,0|2,1,1]=4 148 B10R0.3 CSCC(O)CNNC(=O)C 22a_200000122717_100000070787 [0,0,0,0,0,0|3,1,0]=4 149 B10R0.3 NC(=O)OCCC(=O)CCO 1458a_100011216618_200011214921 [0,0,0,0,0,0|2,1,1]=4 150 B9R0.1 CC(=O)NCCC(C)CO 240690a_106354213184_100015343762 [1,0,0,0,0,0|3,0,0]=4 151 B9R0.1 CC(=O)NCCC(C)CO 527a_106354213184_100103153847 [1,0,0,0,0,0|3,0,0]=4 152 B9R0.1 CC(=O)OCCC(=O)CO 1458a_100000210174_100009814007 [1,0,0,0,0,0|1,1,1]=4 153 B9R0.1 CC(=O)OCOC(C)CF 34a_100016041109_100009813279 [1,0,0,0,0,0|3,0,0]=4 154 B9R0.1 CC(=O)OCOC(C)CN 34a_100000210904_100009813279 [1,0,0,0,0,0|3,0,0]=4 155 B9R0.1 CC(=O)OCSC(C)CO 62a_100012180447_100000076356 [1,0,0,0,0,0|3,0,0]=4 156 B9R0.1 CC(=O)OCS[C@H](C)CO 62a_100000076356_100016084084 [1,0,0,0,0,0|3,0,0]=4 157 B9R0.1 CC(=O)OCS[C@H](C)CO 62a_100016084084_100000076356 [1,0,0,0,0,0|3,0,0]=4 158 B9R0.1 CCC(=O)CCCC(=O)C 1458a_100000210414_100011215641 [1,0,0,0,0,0|1,1,1]=4 159 B9R0.1 CCC(=O)CCNC(=O)C 1458a_100000183196_100000210202 [1,0,0,0,0,0|1,1,1]=4 160 B9R0.1 CCC(=O)CCNC(=O)C 1458a_100000210414_100000189650 [1,0,0,0,0,0|1,1,1]=4 161 B9R0.1 CCC(=O)CCOC(=O)C 1458a_100000210414_100009814007 [1,0,0,0,0,0|0,1,1]=3 162 B9R0.1 CCC(=O)CCOC(=O)N 1458a_100000210414_200011214921 [1,0,0,0,0,0|1,1,1]=4 163 B9R0.1 CCC(=O)CCSC(=O)C 1458a_100000048949_100000210202 [1,0,0,0,0,0|0,2,1]=4 164 B9R0.1 CCC(C)CCNC(=O)C 11a_100020591266_100015343762 [1,0,0,0,0,0|2,0,0]=3 165 B9R0.1 CCC(C)CCNC(=O)C 1626a_100020591266_100015343762 [1,0,0,0,0,0|2,0,0]=3 166 B9R0.1 CCC(C)CCNC(=O)C 240690a_100020591266_100015343762 [1,0,0,0,0,0|2,0,0]=3 167 B9R0.1 CCC(C)CCNC(=O)C 527a_100020591266_100103153847 [1,0,0,0,0,0|2,0,0]=3 168 B9R0.1 CCC(C)CCOC(C)C 7a_100011215188_100000210206 [1,0,0,0,0,0|2,0,1]=4 169 B9R0.1 CCC(C)COCC(=O)C 34a_100000211253_100000748023 [1,0,0,0,0,0|3,0,0]=4 170 B9R0.1 CCC(C)OCCC(=O)C 34a_100000759926_100011215416 [1,0,0,0,0,0|3,0,0]=4 171 B9R0.1 CCC(C)OCCC(=O)C 7a_100000210228_100000053229 [1,0,0,0,0,0|3,0,0]=4 172 B9R0.1 CCC(C)OCCC(=O)C 7a_100000759926_100000758301 [1,0,0,0,0,0|3,0,0]=4 173 B9R0.1 CCC(C)SCCC(=O)C 62a_100000053229_100000758301 [1,0,0,0,0,0|3,0,0]=4 174 B9R0.1 CCC(C)SCCC(=O)C 62a_100000758301_100000053229 [1,0,0,0,0,0|3,0,0]=4 175 B9R0.1 CCC(C)SCOC(=O)C 62a_100000076356_100000758301 [1,0,0,0,0,0|2,0,0]=3 176 B9R0.1 CCC(C)SCOC(=O)C 62a_100000758301_100000076356 [1,0,0,0,0,0|2,0,0]=3 177 B9R0.1 CCC(O)CNNC(=O)C 22a_100015206393_100000070787 [1,0,0,0,0,0|2,1,0]=4 178 B9R0.1 CCC(O)COCC(=O)C 34a_100000211253_100011218378 [1,0,0,0,0,0|2,1,0]=4 179 B9R0.1 CCN(C)CCCC(=O)C 1458a_100000070787_100015186262 [1,0,0,0,0,0|3,0,0]=4 180 B9R0.1 CCN(C)CCCC(=O)C 269982a_100000225621_100011215641 [1,0,0,0,0,0|3,0,0]=4 181 B9R0.1 CCN(C)CCNC(=O)C 2230a_100000225621_100000189650 [1,0,0,0,0,0|3,0,0]=4 182 B9R0.1 CCN(C)CCNC(=O)C 269982a_100000225621_100000189650 [1,0,0,0,0,0|3,0,0]=4 183 B9R0.1 CCN(C)CCOC(=O)C 269982a_100000225621_100009814007 [1,0,0,0,0,0|2,0,0]=3 184 B9R0.1 CCN(C)CCOC(=O)N 269982a_100000225621_200011214921 [1,0,0,0,0,0|3,0,0]=4 185 B9R0.1 CC[C@H](C)COCC(=O)C 34a_100000211253_100009816398 [1,0,0,0,0,0|3,0,0]=4 186 B9R0.1 COC(C)SCOC(=O)C 62a_100000076356_100009879195 [1,0,0,0,0,0|3,0,0]=4 187 B9R0.1 COC(C)SCOC(=O)C 62a_100009879195_100000076356 [1,0,0,0,0,0|3,0,0]=4 188 B9R0.2 C#CCCCCCC(=O)C 1458a_100000070787_100012094781 [1,0,0,0,0,0|1,0,2]=4 189 B9R0.2 C#CCCCCCC(=O)C 1458a_100000694772_200000210301 [1,0,0,0,0,0|1,0,2]=4 190 B9R0.2 C#CCCCCCC(=O)[13CH3] 1458a_100000694772_200025704644 [1,0,0,0,0,0|1,0,2]=4 191 B9R0.2 C#CCCCCNC(=O)C 11a_100000706060_100015343762 [1,0,0,0,0,0|1,0,2]=4 192 B9R0.2 C#CCCCCNC(=O)C 1626a_100000706060_100015343762 [1,0,0,0,0,0|1,0,2]=4 193 B9R0.2 C#CCCCCNC(=O)C 240690a_100000706060_100015343762 [1,0,0,0,0,0|1,0,2]=4 194 B9R0.2 C#CCCCCNC(=O)C 527a_100000706060_100103153847 [1,0,0,0,0,0|1,0,2]=4 195 B9R0.2 C#CCCNCOC(=O)C 34a_100000755551_100009813279 [1,0,0,0,0,0|1,0,2]=4 196 B9R0.2 C#CCCOCOC(=O)C 34a_100011215631_100009813279 [1,0,0,0,0,0|1,0,2]=4 197 B9R0.2 C#CCCSCOC(=O)C 62a_100000076356_100000688953 [1,0,0,0,0,0|1,0,2]=4 198 B9R0.2 C#CCCSCOC(=O)C 62a_100000688953_100000076356 [1,0,0,0,0,0|1,0,2]=4 199 B9R0.2 C#CCNCCOC(=O)C 34a_100000212058_100009814007 [1,0,0,0,0,0|1,0,2]=4 200 B9R0.2 C#CCOCCOC(=O)C 34a_100000210247_100009814007 [1,0,0,0,0,0|1,0,2]=4 201 B9R0.2 C#CCSCCOC(=O)C 62a_100000038162_100009814007 [1,0,0,0,0,0|1,0,2]=4 202 B9R0.2 C/C=C/COCOC(=O)C 34a_100016270725_100009813279 [1,0,0,0,0,0|1,0,2]=4 203 B9R0.2 C/C=C/CSCOC(=O)C 62a_100000076356_100102629194 [1,0,0,0,0,0|1,0,2]=4 204 B9R0.2 C/C=C/CSCOC(=O)C 62a_100102629194_100000076356 [1,0,0,0,0,0|1,0,2]=4 205 B9R0.2 C=C(C)CCNCCCC 2230a_100000102301_100000730704 [1,0,0,0,0,0|3,0,0]=4 206 B9R0.2 C=C(C)CCNCCCC 7a_106832991798_100000730704 [1,0,0,0,0,0|3,0,0]=4 207 B9R0.2 C=C(C)CCOCCCC 34a_100000210227_100000730704 [1,0,0,0,0,0|3,0,0]=4 208 B9R0.2 C=C(C)CCOCCCC 34a_100000764851_100000210210 [1,0,0,0,0,0|3,0,0]=4 209 B9R0.2 C=C(C)CCOCCCC 7a_100000210227_100000730704 [1,0,0,0,0,0|3,0,0]=4 210 B9R0.2 C=C(C)CCSCCCC 62a_100000210211_100000730704 [1,0,0,0,0,0|3,0,0]=4 211 B9R0.2 C=C(C)CCSCCCC 62a_100000730704_100000210210 [1,0,0,0,0,0|3,0,0]=4 212 B9R0.2 C=C(C)CNCCCCC 2230a_100000209983_100000748629 [1,0,0,0,0,0|3,0,0]=4 213 B9R0.2 C=C(C)COCCCCC 34a_100000210245_100000718602 [1,0,0,0,0,0|3,0,0]=4 214 B9R0.2 C=C(C)COCCCCC 34a_100000210253_100000748629 [1,0,0,0,0,0|3,0,0]=4 215 B9R0.2 C=C(C)COCCCCC 7a_100000210253_100000748629 [1,0,0,0,0,0|3,0,0]=4 216 B9R0.2 C=C(C)CSCCCCC 62a_100000210326_100000211660 [1,0,0,0,0,0|3,0,0]=4 217 B9R0.2 C=C(C)CSCCCCC 62a_100000748629_100000210326 [1,0,0,0,0,0|3,0,0]=4 218 B9R0.2 C=CCCCCCC(=O)C 1458a_100000070787_100000700193 [1,0,0,0,0,0|1,0,2]=4 219 B9R0.2 C=CCCCCCC(=O)C 1458a_100011934241_200000210301 [1,0,0,0,0,0|1,0,2]=4 220 B9R0.2 C=CCCCCCC(=O)[13CH3] 1458a_100011934241_200025704644 [1,0,0,0,0,0|1,0,2]=4 221 B9R0.2 C=CCCCCNC(=O)C 11a_100000703577_100015343762 [1,0,0,0,0,0|1,0,2]=4 222 B9R0.2 C=CCCCCNC(=O)C 1626a_100000703577_100015343762 [1,0,0,0,0,0|1,0,2]=4 223 B9R0.2 C=CCCCCNC(=O)C 240690a_100000703577_100015343762 [1,0,0,0,0,0|1,0,2]=4 224 B9R0.2 C=CCCCCNC(=O)C 527a_100000703577_100103153847 [1,0,0,0,0,0|1,0,2]=4 225 B9R0.2 C=CCCOCOC(=O)C 34a_100011205117_100009813279 [1,0,0,0,0,0|1,0,2]=4 226 B9R0.2 C=CCCSCOC(=O)C 62a_100000076356_100000754431 [1,0,0,0,0,0|1,0,2]=4 227 B9R0.2 C=CCCSCOC(=O)C 62a_100000754431_100000076356 [1,0,0,0,0,0|1,0,2]=4 228 B9R0.2 C=CCOCCOC(=O)C 34a_200000210373_100009814007 [1,0,0,0,0,0|1,0,2]=4 229 B9R0.2 C=CCSCCOC(=O)C 62a_100000210623_100009814007 [1,0,0,0,0,0|1,0,2]=4 230 B9R0.2 C=CCSCCOC(=O)C 62a_100009814007_100000210623 [1,0,0,0,0,0|1,0,2]=4 231 B9R0.2 CC#CCNCOC(=O)C 34a_100000685387_100009813279 [1,0,0,0,0,0|1,0,2]=4 232 B9R0.2 CC#CCOCOC(=O)C 34a_100000761923_100009813279 [1,0,0,0,0,0|1,0,2]=4 233 B9R0.2 CC#CCSCOC(=O)C 62a_100000076356_100000748600 [1,0,0,0,0,0|1,0,2]=4 234 B9R0.2 CC#CCSCOC(=O)C 62a_100000748600_100000076356 [1,0,0,0,0,0|1,0,2]=4 235 B9R0.2 CC(=O)CCCCCC#N 1458a_100000070787_100009813376 [1,0,0,0,0,0|2,0,1]=4 236 B9R0.2 CC(=O)CCCCCCF 1458a_100000070787_100015922095 [1,0,0,0,0,0|2,0,0]=3 237 B9R0.2 CC(=O)CCCCCCO 1458a_100000070787_100000766143 [1,0,0,0,0,0|2,0,0]=3 238 B9R0.2 CC(=O)CCCCCCO 1458a_100011996774_200000210301 [1,0,0,0,0,0|2,0,0]=3 239 B9R0.2 CC(=O)CCCCSCF 62a_100000735457_100015361967 [1,0,0,0,0,0|3,0,0]=4 240 B9R0.2 CC(=O)CCCCSCF 62a_100015361967_100000735457 [1,0,0,0,0,0|3,0,0]=4 241 B9R0.2 CC(=O)CCCNCCF 34a_100000724931_100000685027 [1,0,0,0,0,0|3,0,0]=4 242 B9R0.2 CC(=O)CCCNCCO 34a_100016990907_100000685027 [1,0,0,0,0,0|3,0,0]=4 243 B9R0.2 CC(=O)CCCOCCBr 34a_100000211926_100000685027 [1,0,0,0,0,0|3,0,0]=4 244 B9R0.2 CC(=O)CCCOCCF 34a_100000759063_100011217306 [1,0,0,0,0,0|3,0,0]=4 245 B9R0.2 CC(=O)CCCOCCF 7a_100000759063_100011217306 [1,0,0,0,0,0|3,0,0]=4 246 B9R0.2 CC(=O)CCCOCCN 34a_100000210304_100000685027 [1,0,0,0,0,0|3,0,0]=4 247 B9R0.2 CC(=O)CCCOCCO 34a_100000759063_100000211926 [1,0,0,0,0,0|3,0,0]=4 248 B9R0.2 CC(=O)CCCOCCO 7a_100000759063_100000211926 [1,0,0,0,0,0|3,0,0]=4 249 B9R0.2 CC(=O)CCCSCCF 62a_100011215641_100011217306 [1,0,0,0,0,0|3,0,0]=4 250 B9R0.2 CC(=O)CCCSCCF 62a_100011217306_100011215641 [1,0,0,0,0,0|3,0,0]=4 251 B9R0.2 CC(=O)CCCSCCO 62a_100000211926_100011215641 [1,0,0,0,0,0|3,0,0]=4 252 B9R0.2 CC(=O)CCCSCCO 62a_100011215641_100000211926 [1,0,0,0,0,0|3,0,0]=4 253 B9R0.2 CC(=O)CCOCCCF 34a_100000759926_100011934791 [1,0,0,0,0,0|3,0,0]=4 254 B9R0.2 CC(=O)CCOCCCF 7a_100000759926_100011934791 [1,0,0,0,0,0|3,0,0]=4 255 B9R0.2 CC(=O)CCOCCCO 34a_100000759926_100000230001 [1,0,0,0,0,0|3,0,0]=4 256 B9R0.2 CC(=O)CCOCCCO 7a_100000759926_100011215043 [1,0,0,0,0,0|3,0,0]=4 257 B9R0.2 CC(=O)CCSCCCF 62a_100000053229_100011934791 [1,0,0,0,0,0|3,0,0]=4 258 B9R0.2 CC(=O)CCSCCCF 62a_100011934791_100000053229 [1,0,0,0,0,0|3,0,0]=4 259 B9R0.2 CC(=O)CCSCCCO 62a_100000053229_100011215043 [1,0,0,0,0,0|3,0,0]=4 260 B9R0.2 CC(=O)CCSCCCO 62a_100011215043_100000053229 [1,0,0,0,0,0|3,0,0]=4 261 B9R0.2 CC(=O)COCCCCF 34a_100000211253_100000729493 [1,0,0,0,0,0|3,0,0]=4 262 B9R0.2 CC(=O)COCCCCO 34a_100000211253_100011216708 [1,0,0,0,0,0|3,0,0]=4 263 B9R0.2 CC(=O)NCCCCC#N 11a_100000751965_100015343762 [1,0,0,0,0,0|2,0,1]=4 264 B9R0.2 CC(=O)NCCCCC#N 1626a_100000751965_100015343762 [1,0,0,0,0,0|2,0,1]=4 265 B9R0.2 CC(=O)NCCCCC#N 240690a_100000751965_100015343762 [1,0,0,0,0,0|2,0,1]=4 266 B9R0.2 CC(=O)NCCCCC#N 527a_100000751965_100103153847 [1,0,0,0,0,0|2,0,1]=4 267 B9R0.2 CC(=O)NCCCCCO 240690a_100000762737_100015343762 [1,0,0,0,0,0|2,0,0]=3 268 B9R0.2 CC(=O)NCCCCN[13CH3] 2230a_200011368371_200025704644 [1,0,0,0,0,0|2,0,0]=3 269 B9R0.2 CC(=O)NCCCCN[13CH3] 34a_200011368371_200025704644 [1,0,0,0,0,0|2,0,0]=3 270 B9R0.2 CC(=O)NCCCNCF 34a_100000736810_100015361967 [1,0,0,0,0,0|3,0,0]=4 271 B9R0.2 CC(=O)NCCCOCF 34a_100000752032_100015361967 [1,0,0,0,0,0|3,0,0]=4 272 B9R0.2 CC(=O)NCCNCCF 2230a_100000209853_100011217306 [1,0,0,0,0,0|3,0,0]=4 273 B9R0.2 CC(=O)NCCNCCO 2230a_100000209853_100000211926 [1,0,0,0,0,0|3,0,0]=4 274 B9R0.2 CC(=O)NCCNCCO 2230a_100016997473_100000189650 [1,0,0,0,0,0|3,0,0]=4 275 B9R0.2 CC(=O)NCCOCCF 34a_100000158858_100011217306 [1,0,0,0,0,0|3,0,0]=4 276 B9R0.2 CC(=O)NCCOCCO 240690a_100000211614_100015343762 [1,0,0,0,0,0|3,0,0]=4 277 B9R0.2 CC(=O)NCCOCCO 34a_100000158858_100000211926 [1,0,0,0,0,0|3,0,0]=4 278 B9R0.2 CC(=O)NCCSCCF 62a_100000189650_100011217306 [1,0,0,0,0,0|3,0,0]=4 279 B9R0.2 CC(=O)NCCSCCF 62a_100011217306_100000189650 [1,0,0,0,0,0|3,0,0]=4 280 B9R0.2 CC(=O)NCCSCCO 240690a_100011219999_100015343762 [1,0,0,0,0,0|3,0,0]=4 281 B9R0.2 CC(=O)NCCSCCO 527a_100011219999_100103153847 [1,0,0,0,0,0|3,0,0]=4 282 B9R0.2 CC(=O)NCCSCCO 62a_100000189650_100000211926 [1,0,0,0,0,0|3,0,0]=4 283 B9R0.2 CC(=O)NCCSCCO 62a_100000211926_100000189650 [1,0,0,0,0,0|3,0,0]=4 284 B9R0.2 CC(=O)OCCCCO[13CH3] 34a_100000073216_200025704644 [1,0,0,0,0,0|1,0,0]=2 285 B9R0.2 CC(=O)OCCCCO[13CH3] 7a_100000073216_200025704644 [1,0,0,0,0,0|1,0,0]=2 286 B9R0.2 CC(=O)OCCCCS[13CH3] 62a_100000033659_200025704644 [1,0,0,0,0,0|1,0,0]=2 287 B9R0.2 CC(=O)OCCCCS[13CH3] 62a_200025704644_100000033659 [1,0,0,0,0,0|1,0,0]=2 288 B9R0.2 CC(=O)OCCCSCF 62a_100000042594_100015361967 [1,0,0,0,0,0|2,0,0]=3 289 B9R0.2 CC(=O)OCCCSCF 62a_100015361967_100000042594 [1,0,0,0,0,0|2,0,0]=3 290 B9R0.2 CC(=O)OCCNCCF 34a_100000724931_100009814007 [1,0,0,0,0,0|2,0,0]=3 291 B9R0.2 CC(=O)OCCNCCO 34a_100016990907_100009814007 [1,0,0,0,0,0|2,0,0]=3 292 B9R0.2 CC(=O)OCCOCCBr 34a_100000211926_100009814007 [1,0,0,0,0,0|2,0,0]=3 293 B9R0.2 CC(=O)OCCOCCN 34a_100000210304_100009814007 [1,0,0,0,0,0|2,0,0]=3 294 B9R0.2 CC(=O)OCCOCS[13CH3] 62a_100000076355_200025704644 [1,0,0,0,0,0|2,0,0]=3 295 B9R0.2 CC(=O)OCCOCS[13CH3] 62a_200025704644_100000076355 [1,0,0,0,0,0|2,0,0]=3 296 B9R0.2 CC(=O)OCCSCC#N 62a_100009814007_100011215382 [1,0,0,0,0,0|2,0,1]=4 297 B9R0.2 CC(=O)OCCSCC#N 62a_100011215382_100009814007 [1,0,0,0,0,0|2,0,1]=4 298 B9R0.2 CC(=O)OCCSCC=O 62a_100009814007_200015260668 [1,0,0,0,0,0|2,0,1]=4 299 B9R0.2 CC(=O)OCCSCC=O 62a_200015260668_100009814007 [1,0,0,0,0,0|2,0,1]=4 300 B9R0.2 CC(=O)OCCSCCF 62a_100009814007_100011217306 [1,0,0,0,0,0|2,0,0]=3 301 B9R0.2 CC(=O)OCCSCCF 62a_100011217306_100009814007 [1,0,0,0,0,0|2,0,0]=3 302 B9R0.2 CC(=O)OCCSCCO 62a_100000211926_100009814007 [1,0,0,0,0,0|2,0,0]=3 303 B9R0.2 CC(=O)OCCSCCO 62a_100009814007_100000211926 [1,0,0,0,0,0|2,0,0]=3 304 B9R0.2 CC(=O)OCNCCCF 34a_100015189416_100009813279 [1,0,0,0,0,0|2,0,0]=3 305 B9R0.2 CC(=O)OCOCCCBr 34a_100011217188_100009813279 [1,0,0,0,0,0|2,0,0]=3 306 B9R0.2 CC(=O)OCOCCCCl 34a_100000230001_100009813279 [1,0,0,0,0,0|2,0,0]=3 307 B9R0.2 CC(=O)OCOCCCF 34a_100000759539_100009813279 [1,0,0,0,0,0|2,0,0]=3 308 B9R0.2 CC(=O)OCOCCCN 34a_100000182051_100009813279 [1,0,0,0,0,0|2,0,0]=3 309 B9R0.2 CC(=O)OCOCCON 34a_100000700252_100009813279 [1,0,0,0,0,0|3,0,0]=4 310 B9R0.2 CC(=O)OCSCCC#N 62a_100000076356_100011215226 [1,0,0,0,0,0|2,0,1]=4 311 B9R0.2 CC(=O)OCSCCC#N 62a_100011215226_100000076356 [1,0,0,0,0,0|2,0,1]=4 312 B9R0.2 CC(=O)OCSCCCF 62a_100000076356_100011934791 [1,0,0,0,0,0|2,0,0]=3 313 B9R0.2 CC(=O)OCSCCCF 62a_100011934791_100000076356 [1,0,0,0,0,0|2,0,0]=3 314 B9R0.2 CC(=O)OCSCCCO 62a_100000076356_100011215043 [1,0,0,0,0,0|2,0,0]=3 315 B9R0.2 CC(=O)OCSCCCO 62a_100011215043_100000076356 [1,0,0,0,0,0|2,0,0]=3 316 B9R0.2 CC(=O)SCCCCS[13CH3] 62a_200010402107_200025704644 [1,0,0,0,0,0|1,1,0]=3 317 B9R0.2 CC(=O)SCCCCS[13CH3] 62a_200025704644_200010402107 [1,0,0,0,0,0|1,1,0]=3 318 B9R0.2 CC(=O)SCCCSCF 62a_100000038929_100015361967 [1,0,0,0,0,0|2,1,0]=4 319 B9R0.2 CC(=O)SCCCSCF 62a_100015361967_100000038929 [1,0,0,0,0,0|2,1,0]=4 320 B9R0.2 CC(=S)OCCCSCF 62a_100015361967_200135323944 [1,0,0,0,0,0|2,1,0]=4 321 B9R0.2 CC(=S)OCCCSCF 62a_200135323944_100015361967 [1,0,0,0,0,0|2,1,0]=4 322 B9R0.2 CC(C)OCCCCCBr 34a_100000746331_100000210206 [1,0,0,0,0,0|2,0,1]=4 323 B9R0.2 CC(C)OCCCCCBr 7a_100000746331_100000210206 [1,0,0,0,0,0|2,0,1]=4 324 B9R0.2 CC(C)OCCCCCCl 34a_100000746330_100000210206 [1,0,0,0,0,0|2,0,1]=4 325 B9R0.2 CC(C)OCCCCCCl 7a_100000746330_100000210206 [1,0,0,0,0,0|2,0,1]=4 326 B9R0.2 CC(C)OCCCCCF 34a_100000212225_100000729378 [1,0,0,0,0,0|2,0,1]=4 327 B9R0.2 CC(C)OCCCCCI 34a_200012148887_100000210206 [1,0,0,0,0,0|2,0,1]=4 328 B9R0.2 CC(C)OCCCCCI 7a_200012148887_100000210206 [1,0,0,0,0,0|2,0,1]=4 329 B9R0.2 CC(C)OCCCCCN 34a_100000762737_100000210206 [1,0,0,0,0,0|2,0,1]=4 330 B9R0.2 CC(C)OCCCCCO 34a_100000212225_100000746330 [1,0,0,0,0,0|2,0,1]=4 331 B9R0.2 CC=CCSCOC(=O)C 62a_100000070051_100000076356 [1,0,0,0,0,0|1,0,2]=4 332 B9R0.2 CC=CCSCOC(=O)C 62a_100000076356_100000070051 [1,0,0,0,0,0|1,0,2]=4 333 B9R0.2 CCCC/C=C/CC(=O)C 1458a_200016282684_200000210301 [1,0,0,0,0,0|1,0,2]=4 334 B9R0.2 CCCC/C=C/CC(=O)[13CH3] 1458a_200016282684_200025704644 [1,0,0,0,0,0|1,0,2]=4 335 B9R0.2 CCCCC=NNC(=O)C 4a_100000189765_100000210104 [1,0,0,0,0,0|2,0,1]=4 336 B9R0.2 CCCCCC#CC(=O)C 1458a_100011215388_200000210301 [1,0,0,0,0,0|1,0,1]=3 337 B9R0.2 CCCCCC#CC(=O)[13CH3] 1458a_100011215388_200025704644 [1,0,0,0,0,0|1,0,1]=3 338 B9R0.2 CCCCCC=CC(=O)C 1458a_100016263427_200000210301 [1,0,0,0,0,0|1,0,1]=3 339 B9R0.2 CCCCCC=CC(=O)[13CH3] 1458a_100016263427_200025704644 [1,0,0,0,0,0|1,0,1]=3 340 B9R0.2 CCCCCCCC(=O)C 1458a_100000070787_100000210614 [1,0,0,0,0,0|1,0,0]=2 341 B9R0.2 CCCCCCCC(=O)C 1458a_100000211969_200000210301 [1,0,0,0,0,0|1,0,0]=2 342 B9R0.2 CCCCCCCC(=O)[13CH3] 1458a_100000211969_200025704644 [1,0,0,0,0,0|1,0,0]=2 343 B9R0.2 CCCCCCCN(C)C 2230a_100000228206_200000210301 [1,0,0,0,0,0|3,0,0]=4 344 B9R0.2 CCCCCCCN(C)C 2230a_100102631434_100000210681 [1,0,0,0,0,0|3,0,0]=4 345 B9R0.2 CCCCCCCN(C)C 269982a_100000228206_200000210301 [1,0,0,0,0,0|3,0,0]=4 346 B9R0.2 CCCCCCCN(C)C 269982a_100102631434_100000210681 [1,0,0,0,0,0|3,0,0]=4 347 B9R0.2 CCCCCCCN(C)[13CH3] 2230a_100000228206_200025704644 [1,0,0,0,0,0|3,0,0]=4 348 B9R0.2 CCCCCCCN(C)[13CH3] 269982a_100000228206_200025704644 [1,0,0,0,0,0|3,0,0]=4 349 B9R0.2 CCCCCCNC(=O)C 11a_100000210581_100015343762 [1,0,0,0,0,0|1,0,0]=2 350 B9R0.2 CCCCCCNC(=O)C 1626a_100000210581_100015343762 [1,0,0,0,0,0|1,0,0]=2 351 B9R0.2 CCCCCCNC(=O)C 240690a_100000210581_100015343762 [1,0,0,0,0,0|1,0,0]=2 352 B9R0.2 CCCCCCNC(=O)C 527a_100000210581_100103153847 [1,0,0,0,0,0|1,0,0]=2 353 B9R0.2 CCCCCCNC(C)C 2230a_100000210581_100000210206 [1,0,0,0,0,0|2,0,1]=4 354 B9R0.2 CCCCCCNC(C)C 2230a_100138425928_100000210314 [1,0,0,0,0,0|2,0,1]=4 355 B9R0.2 CCCCCCNC(C)C 34a_100138425928_100000210314 [1,0,0,0,0,0|2,0,1]=4 356 B9R0.2 CCCCCCOC(C)C 34a_100000210259_100000210206 [1,0,0,0,0,0|1,0,1]=3 357 B9R0.2 CCCCCCOC(C)C 34a_100000212225_100000210314 [1,0,0,0,0,0|1,0,1]=3 358 B9R0.2 CCCCCCOC(C)C 7a_100000210259_100000210206 [1,0,0,0,0,0|1,0,1]=3 359 B9R0.2 CCCCCCSC(C)C 62a_100000210206_100000210757 [1,0,0,0,0,0|1,1,1]=4 360 B9R0.2 CCCCCCSC(C)C 62a_100000210314_100000210206 [1,0,0,0,0,0|1,1,1]=4 361 B9R0.2 CCCCCNCC(=O)N 2230a_100000209983_100000747473 [1,0,0,0,0,0|3,0,0]=4 362 B9R0.2 CCCCCNCC(=O)N 2230a_100000711301_100000210326 [1,0,0,0,0,0|3,0,0]=4 363 B9R0.2 CCCCCNCC(=O)O 269956a_100016091260_100000210326 [1,0,0,0,0,0|3,0,0]=4 364 B9R0.2 CCCCCNNC(=O)C 22a_100000694160_100000070787 [1,0,0,0,0,0|2,0,0]=3 365 B9R0.2 CCCCCOCC(=O)C 34a_100000211253_100000718602 [1,0,0,0,0,0|2,0,0]=3 366 B9R0.2 CCCCCOCC(=O)N 34a_100000210253_100000187820 [1,0,0,0,0,0|3,0,0]=4 367 B9R0.2 CCCCCOCC(=O)N 7a_100000210253_100000187820 [1,0,0,0,0,0|3,0,0]=4 368 B9R0.2 CCCCCOCC(=O)[O-] 34a_100000210253_100020667443 [1,0,0,0,0,0|3,0,0]=4 369 B9R0.2 CCCCCSCC(=O)N 62a_100000210326_100000747473 [1,0,0,0,0,0|3,0,0]=4 370 B9R0.2 CCCCCSCC(=O)N 62a_100000747473_100000210326 [1,0,0,0,0,0|3,0,0]=4 371 B9R0.2 CCCCCSCC(=O)[O-] 62a_100000210326_100020667443 [1,0,0,0,0,0|3,0,0]=4 372 B9R0.2 CCCCCSCC(=O)[O-] 62a_100020667443_100000210326 [1,0,0,0,0,0|3,0,0]=4 373 B9R0.2 CCCCNCC=C(C)C 2230a_100000102301_100000761012 [1,0,0,0,0,0|3,0,0]=4 374 B9R0.2 CCCCNCC=C(C)C 34a_100000718196_100000210210 [1,0,0,0,0,0|3,0,0]=4 375 B9R0.2 CCCCNCC=C(C)C 7a_106832991798_100000761012 [1,0,0,0,0,0|3,0,0]=4 376 B9R0.2 CCCCNCCC(=O)C 7a_106832991798_100000053229 [1,0,0,0,0,0|2,0,0]=3 377 B9R0.2 CCCCNCCC(=O)N 2230a_100000102301_100000744528 [1,0,0,0,0,0|3,0,0]=4 378 B9R0.2 CCCCNCCC(=O)N 7a_106832991798_100000744528 [1,0,0,0,0,0|3,0,0]=4 379 B9R0.2 CCCCNCOC(C)C 2230a_100000102301_100000709892 [1,0,0,0,0,0|2,0,1]=4 380 B9R0.2 CCCCOCC=C(C)C 34a_100000210227_100000761012 [1,0,0,0,0,0|3,0,0]=4 381 B9R0.2 CCCCOCC=C(C)C 34a_100000753907_100000210210 [1,0,0,0,0,0|3,0,0]=4 382 B9R0.2 CCCCOCC=C(C)C 7a_100000210227_100000761012 [1,0,0,0,0,0|3,0,0]=4 383 B9R0.2 CCCCOCCC(=O)C 1458a_100000070787_100000743108 [1,0,0,0,0,0|2,0,0]=3 384 B9R0.2 CCCCOCCC(=O)C 34a_100000759926_100000210210 [1,0,0,0,0,0|2,0,0]=3 385 B9R0.2 CCCCOCCC(=O)C 7a_100000210227_100000053229 [1,0,0,0,0,0|2,0,0]=3 386 B9R0.2 CCCCOCCC(=O)C 7a_100000759926_100000210211 [1,0,0,0,0,0|2,0,0]=3 387 B9R0.2 CCCCOCCC(=O)N 34a_100000210227_100000731001 [1,0,0,0,0,0|3,0,0]=4 388 B9R0.2 CCCCOCCC(=O)N 34a_100000757172_100000210210 [1,0,0,0,0,0|3,0,0]=4 389 B9R0.2 CCCCOCCC(=O)N 7a_100000210227_100000744528 [1,0,0,0,0,0|3,0,0]=4 390 B9R0.2 CCCCOCCC(=O)N 7a_100000757172_100000210211 [1,0,0,0,0,0|3,0,0]=4 391 B9R0.2 CCCCOCOC(=O)C 34a_100000210227_100009813279 [1,0,0,0,0,0|1,0,0]=2 392 B9R0.2 CCCCOCOC(C)C 34a_100000210227_100000709892 [1,0,0,0,0,0|2,0,1]=4 393 B9R0.2 CCCCOCOC(C)C 34a_100000212225_100011995733 [1,0,0,0,0,0|2,0,1]=4 394 B9R0.2 CCCCSCC=C(C)C 62a_100000210211_100000761012 [1,0,0,0,0,0|3,0,0]=4 395 B9R0.2 CCCCSCC=C(C)C 62a_100000761012_100000210210 [1,0,0,0,0,0|3,0,0]=4 396 B9R0.2 CCCCSCCC(=O)C 62a_100000053229_100000210210 [1,0,0,0,0,0|2,0,0]=3 397 B9R0.2 CCCCSCCC(=O)C 62a_100000210211_100000053229 [1,0,0,0,0,0|2,0,0]=3 398 B9R0.2 CCCCSCCC(=O)N 62a_100000210211_100000744528 [1,0,0,0,0,0|3,0,0]=4 399 B9R0.2 CCCCSCCC(=O)N 62a_100000744528_100000210210 [1,0,0,0,0,0|3,0,0]=4 400 B9R0.2 CCCCSCOC(=O)C 62a_100000076356_100000210210 [1,0,0,0,0,0|1,0,0]=2 401 B9R0.2 CCCCSCOC(=O)C 62a_100000210211_100000076356 [1,0,0,0,0,0|1,0,0]=2 402 B9R0.2 CCCCSCOC(C)C 62a_100000210211_100000709892 [1,0,0,0,0,0|2,0,1]=4 403 B9R0.2 CCCCSCOC(C)C 62a_100000709892_100000210210 [1,0,0,0,0,0|2,0,1]=4 404 B9R0.2 CCCNCCCC(=O)N 34a_100000739312_100000210303 [1,0,0,0,0,0|3,0,0]=4 405 B9R0.2 CCCNCCCS(=O)C 2230a_200000753449_100000210303 [1,0,0,0,0,0|3,0,0]=4 406 B9R0.2 CCCNCCNC(=O)C 2230a_100000209853_100000210303 [1,0,0,0,0,0|2,0,0]=3 407 B9R0.2 CCCNCCNC(=O)N 34a_100020590234_100000210303 [1,0,0,0,0,0|3,0,0]=4 408 B9R0.2 CCCNCCOC(C)C 2230a_100000701111_100000210303 [1,0,0,0,0,0|2,0,1]=4 409 B9R0.2 CCCNCCOC(C)C 34a_100000701111_100000210303 [1,0,0,0,0,0|2,0,1]=4 410 B9R0.2 CCCOCCC=C(C)C 34a_100000210258_100011217483 [1,0,0,0,0,0|3,0,0]=4 411 B9R0.2 CCCOCCCC(=O)C 34a_100000210258_100000685027 [1,0,0,0,0,0|2,0,0]=3 412 B9R0.2 CCCOCCCC(=O)C 34a_100000759063_100000210303 [1,0,0,0,0,0|2,0,0]=3 413 B9R0.2 CCCOCCCC(=O)C 7a_100000759063_100000210303 [1,0,0,0,0,0|2,0,0]=3 414 B9R0.2 CCCOCCCC(=O)N 34a_100000210258_100102525003 [1,0,0,0,0,0|3,0,0]=4 415 B9R0.2 CCCOCCNC(=O)C 1626a_100161115042_100015343762 [1,0,0,0,0,0|2,0,0]=3 416 B9R0.2 CCCOCCNC(=O)C 240690a_100161115042_100015343762 [1,0,0,0,0,0|2,0,0]=3 417 B9R0.2 CCCOCCNC(=O)C 34a_100000158858_100000210303 [1,0,0,0,0,0|2,0,0]=3 418 B9R0.2 CCCOCCNC(=O)C 527a_100161115042_100103153847 [1,0,0,0,0,0|2,0,0]=3 419 B9R0.2 CCCOCCNC(=O)N 34a_100000181757_100000210303 [1,0,0,0,0,0|3,0,0]=4 420 B9R0.2 CCCOCCOC(=O)C 34a_100000210258_100009814007 [1,0,0,0,0,0|1,0,0]=2 421 B9R0.2 CCCOCCOC(=O)N 34a_100000210258_200011214921 [1,0,0,0,0,0|2,0,0]=3 422 B9R0.2 CCCOCCOC(=O)N 7a_100000766696_100000210303 [1,0,0,0,0,0|2,0,0]=3 423 B9R0.2 CCCOCCOC(C)C 34a_100000210258_100000211751 [1,0,0,0,0,0|2,0,1]=4 424 B9R0.2 CCCOCCOC(C)C 34a_100000211219_100000210303 [1,0,0,0,0,0|2,0,1]=4 425 B9R0.2 CCCOCCOC(C)C 34a_100000212225_100011215938 [1,0,0,0,0,0|2,0,1]=4 426 B9R0.2 CCCOCCOC(C)C 34a_100000752267_100000210206 [1,0,0,0,0,0|2,0,1]=4 427 B9R0.2 CCCOCCOC(C)C 7a_100000211219_100000210303 [1,0,0,0,0,0|2,0,1]=4 428 B9R0.2 CCCOCCOC(C)C 7a_100000752267_100000210206 [1,0,0,0,0,0|2,0,1]=4 429 B9R0.2 CCCSCCC=C(C)C 62a_100000210303_100011217483 [1,0,0,0,0,0|3,0,0]=4 430 B9R0.2 CCCSCCC=C(C)C 62a_100011217483_100000210303 [1,0,0,0,0,0|3,0,0]=4 431 B9R0.2 CCCSCCCC(=O)C 62a_100000210303_100011215641 [1,0,0,0,0,0|2,0,0]=3 432 B9R0.2 CCCSCCCC(=O)C 62a_100011215641_100000210303 [1,0,0,0,0,0|2,0,0]=3 433 B9R0.2 CCCSCCCC(=O)N 62a_100000210303_100102525003 [1,0,0,0,0,0|3,0,0]=4 434 B9R0.2 CCCSCCCC(=O)N 62a_100102525003_100000210303 [1,0,0,0,0,0|3,0,0]=4 435 B9R0.2 CCCSCCNC(=O)C 11a_100020603323_100015343762 [1,0,0,0,0,0|2,0,0]=3 436 B9R0.2 CCCSCCNC(=O)C 240690a_100020603323_100015343762 [1,0,0,0,0,0|2,0,0]=3 437 B9R0.2 CCCSCCNC(=O)C 527a_100020603323_100103153847 [1,0,0,0,0,0|2,0,0]=3 438 B9R0.2 CCCSCCNC(=O)C 62a_100000189650_100000210303 [1,0,0,0,0,0|2,0,0]=3 439 B9R0.2 CCCSCCNC(=O)C 62a_100000210303_100000189650 [1,0,0,0,0,0|2,0,0]=3 440 B9R0.2 CCCSCCNC(=O)N 62a_100000210303_200000034859 [1,0,0,0,0,0|3,0,0]=4 441 B9R0.2 CCCSCCNC(=O)N 62a_200000034859_100000210303 [1,0,0,0,0,0|3,0,0]=4 442 B9R0.2 CCCSCCOC(=O)C 62a_100000210303_100009814007 [1,0,0,0,0,0|1,0,0]=2 443 B9R0.2 CCCSCCOC(=O)C 62a_100009814007_100000210303 [1,0,0,0,0,0|1,0,0]=2 444 B9R0.2 CCCSCCOC(=O)N 62a_100000210303_200011214921 [1,0,0,0,0,0|2,0,0]=3 445 B9R0.2 CCCSCCOC(=O)N 62a_200011214921_100000210303 [1,0,0,0,0,0|2,0,0]=3 446 B9R0.2 CCCSCCOC(C)C 34a_200000230433_100000210206 [1,0,0,0,0,0|2,0,1]=4 447 B9R0.2 CCCSCCOC(C)C 62a_100000210303_100000211751 [1,0,0,0,0,0|2,0,1]=4 448 B9R0.2 CCCSCCOC(C)C 62a_100000211751_100000210303 [1,0,0,0,0,0|2,0,1]=4 449 B9R0.2 CCCSCCOC(C)C 7a_200000230433_100000210206 [1,0,0,0,0,0|2,0,1]=4 450 B9R0.2 CCNCCCCC(=O)N 34a_100000696515_100000210202 [1,0,0,0,0,0|3,0,0]=4 451 B9R0.2 CCNCCCNC(=O)C 34a_100000736810_100000210202 [1,0,0,0,0,0|2,0,0]=3 452 B9R0.2 CCNCCCOC(=S)C 2230a_100015525214_200135323944 [1,0,0,0,0,0|1,1,0]=3 453 B9R0.2 CCNCCCOC(C)C 2230a_100000737246_100000210202 [1,0,0,0,0,0|2,0,1]=4 454 B9R0.2 CCNCCCOC(C)C 34a_100000737246_100000210202 [1,0,0,0,0,0|2,0,1]=4 455 B9R0.2 CCNCCCSC(=O)C 2230a_100015525214_100000038929 [1,0,0,0,0,0|1,1,0]=3 456 B9R0.2 CCOCCCCC(=O)C 34a_100121572206_100009817362 [1,0,0,0,0,0|2,0,0]=3 457 B9R0.2 CCOCCCCC(=O)N 34a_100012022536_100000210202 [1,0,0,0,0,0|3,0,0]=4 458 B9R0.2 CCOCCCCC(=O)N 7a_100012022536_100000210202 [1,0,0,0,0,0|3,0,0]=4 459 B9R0.2 CCOCCCNC(=O)C 11a_100000210961_100015343762 [1,0,0,0,0,0|2,0,0]=3 460 B9R0.2 CCOCCCNC(=O)C 1626a_100000210961_100015343762 [1,0,0,0,0,0|2,0,0]=3 461 B9R0.2 CCOCCCNC(=O)C 240690a_100000210961_100015343762 [1,0,0,0,0,0|2,0,0]=3 462 B9R0.2 CCOCCCNC(=O)C 34a_100000752032_100000210202 [1,0,0,0,0,0|2,0,0]=3 463 B9R0.2 CCOCCCNC(=O)C 527a_100000210961_100103153847 [1,0,0,0,0,0|2,0,0]=3 464 B9R0.2 CCOCCCOC(=O)C 34a_100121572206_100000042594 [1,0,0,0,0,0|1,0,0]=2 465 B9R0.2 CCOCCCOC(=S)C 34a_100121572206_200135323944 [1,0,0,0,0,0|1,1,0]=3 466 B9R0.2 CCOCCCOC(C)C 34a_100000212225_100012232248 [1,0,0,0,0,0|2,0,1]=4 467 B9R0.2 CCOCCCOC(C)C 34a_100000757476_100000210206 [1,0,0,0,0,0|2,0,1]=4 468 B9R0.2 CCOCCCOC(C)C 7a_100000757476_100000210206 [1,0,0,0,0,0|2,0,1]=4 469 B9R0.2 CCOCCCSC(=O)C 34a_100121572206_100000038929 [1,0,0,0,0,0|1,1,0]=3 470 B9R0.2 CCOCCNNC(=O)C 22a_100000732670_100000070787 [1,0,0,0,0,0|3,0,0]=4 471 B9R0.2 CCOCCOCC(=O)C 34a_100000211253_100000210147 [1,0,0,0,0,0|3,0,0]=4 472 B9R0.2 CCOCSCCC(=O)C 62a_100000053229_100000739092 [1,0,0,0,0,0|3,0,0]=4 473 B9R0.2 CCOCSCCC(=O)C 62a_100000739092_100000053229 [1,0,0,0,0,0|3,0,0]=4 474 B9R0.2 CCOCSCOC(=O)C 62a_100000076356_100000739092 [1,0,0,0,0,0|2,0,0]=3 475 B9R0.2 CCOCSCOC(=O)C 62a_100000739092_100000076356 [1,0,0,0,0,0|2,0,0]=3 476 B9R0.2 CCSCCCCC(=O)C 62a_100000210202_100000735457 [1,0,0,0,0,0|2,0,0]=3 477 B9R0.2 CCSCCCCC(=O)C 62a_100000735457_100000210202 [1,0,0,0,0,0|2,0,0]=3 478 B9R0.2 CCSCCCOC(=O)C 62a_100000042594_100000210202 [1,0,0,0,0,0|1,0,0]=2 479 B9R0.2 CCSCCCOC(=O)C 62a_100000210202_100000042594 [1,0,0,0,0,0|1,0,0]=2 480 B9R0.2 CCSCCCOC(=S)C 62a_100000210202_200135323944 [1,0,0,0,0,0|1,1,0]=3 481 B9R0.2 CCSCCCOC(=S)C 62a_200135323944_100000210202 [1,0,0,0,0,0|1,1,0]=3 482 B9R0.2 CCSCCCOC(C)C 34a_100011216438_100000210206 [1,0,0,0,0,0|2,0,1]=4 483 B9R0.2 CCSCCCOC(C)C 7a_100011216438_100000210206 [1,0,0,0,0,0|2,0,1]=4 484 B9R0.2 CCSCCCSC(=O)C 62a_100000038929_100000210202 [1,0,0,0,0,0|1,1,0]=3 485 B9R0.2 CCSCCCSC(=O)C 62a_100000210202_100000038929 [1,0,0,0,0,0|1,1,0]=3 486 B9R0.2 CCSCCOCC(=O)C 34a_100000211253_100000757381 [1,0,0,0,0,0|3,0,0]=4 487 B9R0.2 CNCCCCCC(=O)N 2230a_106832991635_100009817443 [1,0,0,0,0,0|3,0,0]=4 488 B9R0.2 CNCCCCCC(=O)N 34a_100102657272_100009817443 [1,0,0,0,0,0|3,0,0]=4 489 B9R0.2 CNCCCCCC(=O)N 7a_106832991635_100009817443 [1,0,0,0,0,0|3,0,0]=4 490 B9R0.2 CNCCCCNC(=O)C 2230a_200011368371_200000210301 [1,0,0,0,0,0|2,0,0]=3 491 B9R0.2 CNCCCCNC(=O)C 34a_200011368371_200000210301 [1,0,0,0,0,0|2,0,0]=3 492 B9R0.2 CNCCCCOC(=O)C 34a_100102657272_100000033659 [1,0,0,0,0,0|1,0,0]=2 493 B9R0.2 CNCCCCOC(=O)C 7a_106832991635_100000033659 [1,0,0,0,0,0|1,0,0]=2 494 B9R0.2 CNCCCCO[N+](=O)[O-] 34a_100102657272_100015694321 [1,0,0,0,0,0|3,0,0]=4 495 B9R0.2 CNCCCCO[N+](=O)[O-] 7a_106832991635_100015694321 [1,0,0,0,0,0|3,0,0]=4 496 B9R0.2 CNCCCCSC(=O)C 2230a_106832991635_200010402107 [1,0,0,0,0,0|1,1,0]=3 497 B9R0.2 CNCCCCSC(=O)C 34a_100102657272_200010402107 [1,0,0,0,0,0|1,1,0]=3 498 B9R0.2 CNCCCCSC(=O)C 7a_106832991635_200010402107 [1,0,0,0,0,0|1,1,0]=3 499 B9R0.2 CNCOCCOC(=O)C 34a_100102657272_100000076355 [1,0,0,0,0,0|2,0,0]=3 500 B9R0.2 COCCCCCC(=O)C 1458a_100011935119_200000210301 [1,0,0,0,0,0|2,0,0]=3 501 B9R0.2 COCCCCCC(=O)N 34a_100000123541_200000210301 [1,0,0,0,0,0|3,0,0]=4 502 B9R0.2 COCCCCCC(=O)N 34a_100138415774_100009817443 [1,0,0,0,0,0|3,0,0]=4 503 B9R0.2 COCCCCCC(=O)N 7a_100000123541_200000210301 [1,0,0,0,0,0|3,0,0]=4 504 B9R0.2 COCCCCCC(=O)[13CH3] 1458a_100011935119_200025704644 [1,0,0,0,0,0|2,0,0]=3 505 B9R0.2 COCCCCCC(=O)[O-] 7a_100102619762_200000210301 [1,0,0,0,0,0|3,0,0]=4 506 B9R0.2 COCCCCOC(=O)C 34a_100000073216_200000210301 [1,0,0,0,0,0|1,0,0]=2 507 B9R0.2 COCCCCOC(=O)C 34a_100138415774_100000033659 [1,0,0,0,0,0|1,0,0]=2 508 B9R0.2 COCCCCOC(=O)C 7a_100000073216_200000210301 [1,0,0,0,0,0|1,0,0]=2 509 B9R0.2 COCCCCOC(C)C 34a_100000212225_100000755781 [1,0,0,0,0,0|2,0,1]=4 510 B9R0.2 COCCCCOC(C)C 34a_100000740925_100000210206 [1,0,0,0,0,0|2,0,1]=4 511 B9R0.2 COCCCCO[N+](=O)[O-] 34a_100138415774_100015694321 [1,0,0,0,0,0|3,0,0]=4 512 B9R0.2 COCCCCSC(=O)C 34a_100138415774_200010402107 [1,0,0,0,0,0|1,1,0]=3 513 B9R0.2 COCCCNNC(=O)C 22a_100025702787_100000070787 [1,0,0,0,0,0|3,0,0]=4 514 B9R0.2 COCCCOCC(=O)C 34a_100000211253_100000740836 [1,0,0,0,0,0|3,0,0]=4 515 B9R0.2 COCCOCCC(=O)C 1458a_100000070787_100000695917 [1,0,0,0,0,0|3,0,0]=4 516 B9R0.2 COCCOCCC(=O)C 1458a_100000745395_200000210301 [1,0,0,0,0,0|3,0,0]=4 517 B9R0.2 COCCOCCC(=O)C 34a_100000759926_100011201679 [1,0,0,0,0,0|3,0,0]=4 518 B9R0.2 COCCOCCC(=O)C 7a_100000759926_100000233755 [1,0,0,0,0,0|3,0,0]=4 519 B9R0.2 COCCOCCC(=O)[13CH3] 1458a_100000745395_200025704644 [1,0,0,0,0,0|3,0,0]=4 520 B9R0.2 COCCOCOC(=O)C 34a_100000210237_100009813279 [1,0,0,0,0,0|2,0,0]=3 521 B9R0.2 COCCSCCC(=O)C 62a_100000053229_100000233755 [1,0,0,0,0,0|3,0,0]=4 522 B9R0.2 COCCSCCC(=O)C 62a_100000233755_100000053229 [1,0,0,0,0,0|3,0,0]=4 523 B9R0.2 COCCSCOC(=O)C 62a_100000076356_100000233755 [1,0,0,0,0,0|2,0,0]=3 524 B9R0.2 COCCSCOC(=O)C 62a_100000233755_100000076356 [1,0,0,0,0,0|2,0,0]=3 525 B9R0.2 COCNCCNC(=O)C 2230a_100000209853_100000766300 [1,0,0,0,0,0|3,0,0]=4 526 B9R0.2 COCOCCOC(=O)C 34a_100138415774_100000076355 [1,0,0,0,0,0|2,0,0]=3 527 B9R0.2 COCSCCCC(=O)C 62a_100000766300_100011215641 [1,0,0,0,0,0|3,0,0]=4 528 B9R0.2 COCSCCCC(=O)C 62a_100011215641_100000766300 [1,0,0,0,0,0|3,0,0]=4 529 B9R0.2 COCSCCNC(=O)C 62a_100000189650_100000766300 [1,0,0,0,0,0|3,0,0]=4 530 B9R0.2 COCSCCNC(=O)C 62a_100000766300_100000189650 [1,0,0,0,0,0|3,0,0]=4 531 B9R0.2 COCSCCOC(=O)C 62a_100000766300_100009814007 [1,0,0,0,0,0|2,0,0]=3 532 B9R0.2 COCSCCOC(=O)C 62a_100009814007_100000766300 [1,0,0,0,0,0|2,0,0]=3 533 B9R0.2 COCSCCOC(=O)N 62a_100000766300_200011214921 [1,0,0,0,0,0|3,0,0]=4 534 B9R0.2 COCSCCOC(=O)N 62a_200011214921_100000766300 [1,0,0,0,0,0|3,0,0]=4 535 B9R0.2 CSCCCCCC(=O)N 62a_100009817443_200000210301 [1,0,0,0,0,0|3,0,0]=4 536 B9R0.2 CSCCCCCC(=O)N 62a_200000210301_100009817443 [1,0,0,0,0,0|3,0,0]=4 537 B9R0.2 CSCCCCOC(=O)C 62a_100000033659_200000210301 [1,0,0,0,0,0|1,0,0]=2 538 B9R0.2 CSCCCCOC(=O)C 62a_200000210301_100000033659 [1,0,0,0,0,0|1,0,0]=2 539 B9R0.2 CSCCCCOC(C)C 34a_100011217163_100000210206 [1,0,0,0,0,0|2,0,1]=4 540 B9R0.2 CSCCCCOC(C)C 7a_100011217163_100000210206 [1,0,0,0,0,0|2,0,1]=4 541 B9R0.2 CSCCCCO[N+](=O)[O-] 62a_200000210301_100015694321 [1,0,0,0,0,0|3,0,0]=4 542 B9R0.2 CSCCCCSC(=O)C 62a_200000210301_200010402107 [1,0,0,0,0,0|1,1,0]=3 543 B9R0.2 CSCCCCSC(=O)C 62a_200010402107_200000210301 [1,0,0,0,0,0|1,1,0]=3 544 B9R0.2 CSCCOCCC(=O)C 34a_100000759926_100000212216 [1,0,0,0,0,0|3,0,0]=4 545 B9R0.2 CSCCOCCC(=O)C 7a_100000230434_100000053229 [1,0,0,0,0,0|3,0,0]=4 546 B9R0.2 CSCCOCCC(=O)C 7a_100000759926_100000212216 [1,0,0,0,0,0|3,0,0]=4 547 B9R0.2 CSCCOCOC(=O)C 34a_100000230434_100009813279 [1,0,0,0,0,0|2,0,0]=3 548 B9R0.2 CSCCSCCC(=O)C 62a_100000053229_100000751147 [1,0,0,0,0,0|3,0,0]=4 549 B9R0.2 CSCCSCCC(=O)C 62a_100000212216_100000053229 [1,0,0,0,0,0|3,0,0]=4 550 B9R0.2 CSCCSCOC(=O)C 62a_100000076356_100000751147 [1,0,0,0,0,0|2,0,0]=3 551 B9R0.2 CSCCSCOC(=O)C 62a_100000212216_100000076356 [1,0,0,0,0,0|2,0,0]=3 552 B9R0.2 CSCNCCNC(=O)C 2230a_100000209853_100011218213 [1,0,0,0,0,0|3,0,0]=4 553 B9R0.2 CSCOCCCC(=O)C 34a_100000759063_100011218213 [1,0,0,0,0,0|3,0,0]=4 554 B9R0.2 CSCOCCNC(=O)C 34a_100000158858_100011218213 [1,0,0,0,0,0|3,0,0]=4 555 B9R0.2 CSCOCCOC(=O)C 62a_100000076355_200000210301 [1,0,0,0,0,0|2,0,0]=3 556 B9R0.2 CSCOCCOC(=O)C 62a_200000210301_100000076355 [1,0,0,0,0,0|2,0,0]=3 557 B9R0.2 CSCSCCCC(=O)C 62a_100011215641_100011218213 [1,0,0,0,0,0|3,0,0]=4 558 B9R0.2 CSCSCCCC(=O)C 62a_100011218213_100011215641 [1,0,0,0,0,0|3,0,0]=4 559 B9R0.2 CSCSCCNC(=O)C 62a_100000189650_100011218213 [1,0,0,0,0,0|3,0,0]=4 560 B9R0.2 CSCSCCNC(=O)C 62a_100011218213_100000189650 [1,0,0,0,0,0|3,0,0]=4 561 B9R0.2 CSCSCCOC(=O)C 62a_100009814007_100011218213 [1,0,0,0,0,0|2,0,0]=3 562 B9R0.2 CSCSCCOC(=O)C 62a_100011218213_100009814007 [1,0,0,0,0,0|2,0,0]=3 563 B9R0.2 CSCSCCOC(=O)N 62a_100011218213_200011214921 [1,0,0,0,0,0|3,0,0]=4 564 B9R0.2 CSCSCCOC(=O)N 62a_200011214921_100011218213 [1,0,0,0,0,0|3,0,0]=4 565 B9R0.2 NC(=O)OCCNCCF 34a_100000724931_200011214921 [1,0,0,0,0,0|3,0,0]=4 566 B9R0.2 NC(=O)OCCNCCO 34a_100016990907_200011214921 [1,0,0,0,0,0|3,0,0]=4 567 B9R0.2 NC(=O)OCCOCCBr 34a_100000211926_200011214921 [1,0,0,0,0,0|3,0,0]=4 568 B9R0.2 NC(=O)OCCOCCF 7a_100000766696_100011217306 [1,0,0,0,0,0|3,0,0]=4 569 B9R0.2 NC(=O)OCCOCCO 7a_100000766696_100000211926 [1,0,0,0,0,0|3,0,0]=4 570 B9R0.2 NC(=O)OCCSCCF 62a_100011217306_200011214921 [1,0,0,0,0,0|3,0,0]=4 571 B9R0.2 NC(=O)OCCSCCF 62a_200011214921_100011217306 [1,0,0,0,0,0|3,0,0]=4 572 B9R0.2 NC(=O)OCCSCCO 62a_100000211926_200011214921 [1,0,0,0,0,0|3,0,0]=4 573 B9R0.2 NC(=O)OCCSCCO 62a_200011214921_100000211926 [1,0,0,0,0,0|3,0,0]=4 574 B9R0.2 NCCOCCOC(=O)N 34a_100000210304_200011214921 [1,0,0,0,0,0|3,0,0]=4 575 B9R0.2 [13CH3]C(=O)CCCCCCO 1458a_100011996774_200025704644 [1,0,0,0,0,0|2,0,0]=3 576 B9R0.2 [13CH3]OCCCCCC(=O)N 34a_100000123541_200025704644 [1,0,0,0,0,0|3,0,0]=4 577 B9R0.2 [13CH3]OCCCCCC(=O)N 7a_100000123541_200025704644 [1,0,0,0,0,0|3,0,0]=4 578 B9R0.2 [13CH3]OCCCCCC(=O)[O-] 7a_100102619762_200025704644 [1,0,0,0,0,0|3,0,0]=4 579 B9R0.2 [13CH3]SCCCCCC(=O)N 62a_100009817443_200025704644 [1,0,0,0,0,0|3,0,0]=4 580 B9R0.2 [13CH3]SCCCCCC(=O)N 62a_200025704644_100009817443 [1,0,0,0,0,0|3,0,0]=4 581 B9R0.2 [13CH3]SCCCCO[N+](=O)[O-] 62a_200025704644_100015694321 [1,0,0,0,0,0|3,0,0]=4 582 B9R0.5 C/C=C/COC(C)CCC 34a_100000764384_100102629194 [1,0,0,0,0,0|3,0,0]=4 583 B9R0.5 C/C=C/COC(C)CCC 34a_100016270725_100000766640 [1,0,0,0,0,0|3,0,0]=4 584 B9R0.5 C/C=C/COC(C)CCC 7a_100000764384_100102629194 [1,0,0,0,0,0|3,0,0]=4 585 B9R0.5 C/C=C/CSC(C)CCC 62a_100000766640_100102629194 [1,0,0,0,0,0|3,0,0]=4 586 B9R0.5 C/C=C/CSC(C)CCC 62a_100102629194_100000766640 [1,0,0,0,0,0|3,0,0]=4 587 B9R0.5 C=COCCC(=O)CCC 1458a_100000211992_100000039644 [1,0,0,0,0,0|0,1,2]=4 588 B9R0.5 C=COCCN(C)CCC 2230a_100000747261_100000039644 [1,0,0,0,0,0|2,0,1]=4 589 B9R0.5 C=COCCN(C)CCC 269982a_100000747261_100000039644 [1,0,0,0,0,0|2,0,1]=4 590 B9R0.5 CC=CCNC(C)CCC 2230a_100000741246_100000070051 [1,0,0,0,0,0|3,0,0]=4 591 B9R0.5 CC=CCOC(C)CCC 34a_100000764384_100000070051 [1,0,0,0,0,0|3,0,0]=4 592 B9R0.5 CC=CCOC(C)CCC 7a_100000764384_100000070051 [1,0,0,0,0,0|3,0,0]=4 593 B9R0.5 CC=CCSC(C)CCC 62a_100000070051_100000766640 [1,0,0,0,0,0|3,0,0]=4 594 B9R0.5 CC=CCSC(C)CCC 62a_100000766640_100000070051 [1,0,0,0,0,0|3,0,0]=4 595 B9R0.5 CCCC(=O)CCOCC 1458a_100000211992_100011215890 [1,0,0,0,0,0|0,1,2]=4 596 B9R0.5 CCCC(=O)CCOCC 1458a_100000749530_100000210303 [1,0,0,0,0,0|0,1,2]=4 597 B9R0.5 CCCC(C)CCCOC 34a_100011713154_200000210301 [1,0,0,0,0,0|3,0,0]=4 598 B9R0.5 CCCC(C)CCCOC 7a_100011713154_200000210301 [1,0,0,0,0,0|3,0,0]=4 599 B9R0.5 CCCC(C)CCCO[13CH3] 34a_100011713154_200025704644 [1,0,0,0,0,0|3,0,0]=4 600 B9R0.5 CCCC(C)CCCO[13CH3] 7a_100011713154_200025704644 [1,0,0,0,0,0|3,0,0]=4 601 B9R0.5 CCCC(C)CCOCC 34a_100011217855_100000210202 [1,0,0,0,0,0|1,0,1]=3 602 B9R0.5 CCCC(C)CCOCC 7a_100011217855_100000210202 [1,0,0,0,0,0|1,0,1]=3 603 B9R0.5 CCCC(C)CCOCF 34a_100011217855_100015361967 [1,0,0,0,0,0|2,0,1]=4 604 B9R0.5 CCCC(C)CCOCF 7a_100011217855_100015361967 [1,0,0,0,0,0|2,0,1]=4 605 B9R0.5 CCCC(C)COCC=O 34a_100000688023_200009817547 [1,0,0,0,0,0|3,0,0]=4 606 B9R0.5 CCCC(C)COCC=O 7a_100000688023_200015260668 [1,0,0,0,0,0|3,0,0]=4 607 B9R0.5 CCCC(C)CSCC=O 62a_100011216630_200015260668 [1,0,0,0,0,0|3,0,0]=4 608 B9R0.5 CCCC(C)CSCC=O 62a_200015260668_100011216630 [1,0,0,0,0,0|3,0,0]=4 609 B9R0.5 CCCC(C)SCOCC 62a_100000739092_100000766640 [1,0,0,0,0,0|2,0,1]=4 610 B9R0.5 CCCC(C)SCOCC 62a_100000766640_100000739092 [1,0,0,0,0,0|2,0,1]=4 611 B9R0.5 CCCN(C)CCCC=O 2230a_100000747261_200011292268 [1,0,0,0,0,0|3,0,0]=4 612 B9R0.5 CCCN(C)CCCC=O 269982a_100000747261_200011292268 [1,0,0,0,0,0|3,0,0]=4 613 B9R0.5 CCCN(C)CCOCC 2230a_100000747261_100011215890 [1,0,0,0,0,0|2,0,1]=4 614 B9R0.5 CCCN(C)CCOCC 269982a_100000747261_100011215890 [1,0,0,0,0,0|2,0,1]=4 615 B9R0.5 CCC[C@H](N)CCOCC 34a_100015193777_100000210202 [1,0,0,0,0,0|1,0,1]=3 616 B9R0.5 CCC[C@H](N)CCOCF 34a_100015193777_100015361967 [1,0,0,0,0,0|2,0,1]=4 617 B9R0.5 CCC[C@H](N)COCC=O 34a_100000732646_200009817547 [1,0,0,0,0,0|3,0,0]=4 618 B9R0.5 CCNC(C)CCOCC 270004a_100015525214_200011216536 [1,0,0,0,0,0|2,0,1]=4 619 B11R0.1 CC(=O)OC(C)SC(C)CCO 62a_100009818208_100009893172 [0,1,0,0,0,0|3,0,0]=4 620 B11R0.1 CC(=O)OC(C)SC(C)CCO 62a_100009893172_100009818208 [0,1,0,0,0,0|3,0,0]=4 621 B11R0.1 CCCC(C)SC(C)OC(=O)C 62a_100000766640_100009818208 [0,1,0,0,0,0|2,0,0]=3 622 B11R0.1 CCCC(C)SC(C)OC(=O)C 62a_100009818208_100000766640 [0,1,0,0,0,0|2,0,0]=3 623 B11R0.1 COCC(C)SC(C)OC(=O)C 62a_100000765312_100009818208 [0,1,0,0,0,0|3,0,0]=4 624 B11R0.1 COCC(C)SC(C)OC(=O)C 62a_100009818208_100000765312 [0,1,0,0,0,0|3,0,0]=4 625 B11R0.6 C=C(C)CN(C)CCOC(=O)C 269982a_100000225649_100009814007 [0,1,0,0,0,0|2,0,1]=4 626 B11R0.6 CC(=O)CCCC(=O)CC(C)C 1458a_100000210554_100011215641 [0,1,0,0,0,0|1,1,1]=4 627 B11R0.6 CC(=O)CCCC(=O)C[C@@H](C)O 1458a_100011933948_100011215641 [0,1,0,0,0,0|1,1,1]=4 628 B11R0.6 CC(=O)CCCN(C)CC(C)C 269982a_100000747067_100011215641 [0,1,0,0,0,0|3,0,0]=4 629 B11R0.6 CC(=O)CCCN(C)CC(C)O 269982a_100000227577_100011215641 [0,1,0,0,0,0|3,0,0]=4 630 B11R0.6 CC(=O)CCOC(C)CC(C)C 34a_100000759926_100000731052 [0,1,0,0,0,0|3,0,0]=4 631 B11R0.6 CC(=O)CCOC(C)CC(C)C 7a_100000211805_100000053229 [0,1,0,0,0,0|3,0,0]=4 632 B11R0.6 CC(=O)CCOC(C)CC(C)C 7a_100000759926_100000731052 [0,1,0,0,0,0|3,0,0]=4 633 B11R0.6 CC(=O)CCSC(C)CC(C)C 62a_100000053229_100000731052 [0,1,0,0,0,0|3,0,0]=4 634 B11R0.6 CC(=O)CCSC(C)CC(C)C 62a_100000731052_100000053229 [0,1,0,0,0,0|3,0,0]=4 635 B11R0.6 CC(=O)NCCC(=O)CC(C)C 1458a_100000183196_100000210624 [0,1,0,0,0,0|1,1,1]=4 636 B11R0.6 CC(=O)NCCC(=O)CC(C)C 1458a_100000210554_100000189650 [0,1,0,0,0,0|1,1,1]=4 637 B11R0.6 CC(=O)NCCC(=O)CC(C)O 1458a_100000183196_100011218427 [0,1,0,0,0,0|1,1,1]=4 638 B11R0.6 CC(=O)NCCC(=O)C[C@@H](C)O 1458a_100011933948_100000189650 [0,1,0,0,0,0|1,1,1]=4 639 B11R0.6 CC(=O)NCCN(C)CC(C)C 2230a_100000747067_100000189650 [0,1,0,0,0,0|3,0,0]=4 640 B11R0.6 CC(=O)NCCN(C)CC(C)C 269982a_100000747067_100000189650 [0,1,0,0,0,0|3,0,0]=4 641 B11R0.6 CC(=O)NCCN(C)CC(C)O 2230a_100000227577_100000189650 [0,1,0,0,0,0|3,0,0]=4 642 B11R0.6 CC(=O)NCCN(C)CC(C)O 269982a_100000227577_100000189650 [0,1,0,0,0,0|3,0,0]=4 643 B11R0.6 CC(=O)OCCC(=O)CC(C)C 1458a_100000210554_100009814007 [0,1,0,0,0,0|0,1,1]=3 644 B11R0.6 CC(=O)OCCC(=O)CN(C)C 1458a_100000750896_100009814007 [0,1,0,0,0,0|1,1,1]=4 645 B11R0.6 CC(=O)OCCC(=O)C[C@@H](C)O 1458a_100011933948_100009814007 [0,1,0,0,0,0|0,1,1]=3 646 B11R0.6 CC(=O)OCCC(=O)C[S+](C)C 1458a_200159257847_100009814007 [0,1,0,0,0,0|1,1,1]=4 647 B11R0.6 CC(=O)OCCN(C)CC(C)C 269982a_100000747067_100009814007 [0,1,0,0,0,0|2,0,0]=3 648 B11R0.6 CC(=O)OCCN(C)CC(C)O 269982a_100000227577_100009814007 [0,1,0,0,0,0|2,0,0]=3 649 B11R0.6 CC(=O)OCOC(C)CC(C)C 34a_100000211805_100009813279 [0,1,0,0,0,0|2,0,0]=3 650 B11R0.6 CC(=O)OCSC(C)CC(C)C 62a_100000076356_100000731052 [0,1,0,0,0,0|2,0,0]=3 651 B11R0.6 CC(=O)OCSC(C)CC(C)C 62a_100000731052_100000076356 [0,1,0,0,0,0|2,0,0]=3 652 B11R0.6 CC(=O)OCSC(C)CN(C)C 62a_100000076356_100020606517 [0,1,0,0,0,0|3,0,0]=4 653 B11R0.6 CC(=O)OCSC(C)CN(C)C 62a_100020606517_100000076356 [0,1,0,0,0,0|3,0,0]=4 654 B11R0.6 CC(=O)SCCC(=O)CC(C)C 1458a_100000048949_100000210624 [0,1,0,0,0,0|0,2,1]=4 655 B11R0.6 CC(=O)SCCC(=O)CC(C)O 1458a_100000048949_100011218427 [0,1,0,0,0,0|0,2,1]=4 656 B11R0.6 CC(C)CC(=O)CCOC(=O)N 1458a_100000210554_200011214921 [0,1,0,0,0,0|1,1,1]=4 657 B11R0.6 CC(C)CN(C)CCOC(=O)N 269982a_100000747067_200011214921 [0,1,0,0,0,0|3,0,0]=4 658 B11R0.6 CC(C)C[C@H](N)CCOC(C)C 34a_100161151251_100000210206 [0,1,0,0,0,0|2,0,1]=4 659 B11R0.6 CC(O)CN(C)CCOC(=O)N 269982a_100000227577_200011214921 [0,1,0,0,0,0|3,0,0]=4 660 B11R0.6 C[C@@H](O)CC(=O)CCOC(=O)N 1458a_100011933948_200011214921 [0,1,0,0,0,0|1,1,1]=4 661 B11R0.45 C#CC(CCC)OCCC(=O)C 7a_200011217317_100000053229 [0,1,0,0,0,0|3,0,0]=4 662 B11R0.45 C#CC(CCC)OCOC(=O)C 34a_200011217317_100009813279 [0,1,0,0,0,0|2,0,0]=3 663 B11R0.45 C=CC(CCC)OCCC(=O)C 7a_100011216692_100000053229 [0,1,0,0,0,0|3,0,0]=4 664 B11R0.45 C=CC(CCC)OCOC(=O)C 34a_100011216692_100009813279 [0,1,0,0,0,0|2,0,0]=3 665 B11R0.45 CCCC(C#N)OCCC(=O)C 7a_100000686963_100000053229 [0,1,0,0,0,0|3,0,0]=4 666 B11R0.45 CCCC(C#N)OCOC(=O)C 34a_100000686963_100009813279 [0,1,0,0,0,0|2,0,0]=3 667 B11R0.45 CCCC(CC)OCCC(=O)C 7a_100000687864_100000053229 [0,1,0,0,0,0|3,0,0]=4 668 B11R0.45 CCCC(CC)OCCC(=O)C 7a_100000759926_100011219200 [0,1,0,0,0,0|3,0,0]=4 669 B11R0.45 CCCC(CC)OCOC(=O)C 34a_100000687864_100009813279 [0,1,0,0,0,0|2,0,0]=3 670 B11R0.45 CCCC(CC)SCCC(=O)C 62a_100000053229_100011219200 [0,1,0,0,0,0|3,0,0]=4 671 B11R0.45 CCCC(CC)SCCC(=O)C 62a_100011219200_100000053229 [0,1,0,0,0,0|3,0,0]=4 672 B11R0.45 CCCC(CC)SCOC(=O)C 62a_100000076356_100011219200 [0,1,0,0,0,0|2,0,0]=3 673 B11R0.45 CCCC(CC)SCOC(=O)C 62a_100011219200_100000076356 [0,1,0,0,0,0|2,0,0]=3 674 B11R0.45 CCCC(CCOC(C)C)SC 34a_100000032865_100000210206 [0,1,0,0,0,0|1,0,1]=3 675 B11R0.45 CCCC(CCOC(C)C)SC 7a_100000032865_100000210206 [0,1,0,0,0,0|1,0,1]=3 676 B11R0.45 CCCN(CC)CCCC(=O)C 269982a_100000226822_100011215641 [0,1,0,0,0,0|3,0,0]=4 677 B11R0.45 CCCN(CC)CCNC(=O)C 2230a_100000226822_100000189650 [0,1,0,0,0,0|3,0,0]=4 678 B11R0.45 CCCN(CC)CCNC(=O)C 269982a_100000226822_100000189650 [0,1,0,0,0,0|3,0,0]=4 679 B11R0.45 CCCN(CC)CCOC(=O)C 269982a_100000226822_100009814007 [0,1,0,0,0,0|2,0,0]=3 680 B11R0.45 CCCN(CC)CCOC(=O)N 269982a_100000226822_200011214921 [0,1,0,0,0,0|3,0,0]=4 681 B11R0.45 CCC[C@@H](CO)NCOC(=O)C 34a_100000732646_100009813279 [0,1,0,0,0,0|1,1,0]=3 682 B11R0.45 CCN(CCO)CCOC(=O)C 269982a_100000210973_100009814007 [0,1,0,0,0,0|3,0,0]=4 683 B11R0.45 COCC(CCl)OCOC(=O)C 34a_100011215053_100009813279 [0,1,0,0,0,0|3,0,0]=4 684 B11R0.45 COCC(CN)OCOC(=O)C 34a_100000756049_100009813279 [0,1,0,0,0,0|3,0,0]=4 685 B11R0.45 COCC(CO)NCOC(=O)C 34a_100000724102_100009813279 [0,1,0,0,0,0|2,1,0]=4 686 B11R0.59 CC(=O)OCC(=O)C(C)CCO 1458a_100000183556_100009893172 [0,1,0,0,0,0|2,0,1]=4 687 B11R0.59 CC(=O)OCC(C)N(C)CCO 270004a_100000210263_100000000629 [0,1,0,0,0,0|3,0,0]=4 688 B11R0.59 CC(=O)OCN(C)C(C)CCO 269982a_100000731037_100000076356 [0,1,0,0,0,0|3,0,0]=4 689 B11R0.59 CCCC(=O)[C@H](C)CSC(=O)C 1458a_200015407212_100000210303 [0,1,0,0,0,0|0,2,1]=4 690 B11R0.59 CCCC(C)C(=O)CNC(=O)C 1458a_100000194580_100000766640 [0,1,0,0,0,0|2,0,1]=4 691 B11R0.59 CCCC(C)C(=O)COC(=O)C 1458a_100000183556_100000766640 [0,1,0,0,0,0|1,0,1]=3 692 B11R0.59 CCCC(C)C(=O)CSC(=O)C 1458a_100000049016_100000766640 [0,1,0,0,0,0|1,1,1]=4 693 B11R0.59 CCCN(C)C(=O)COC(=O)C 1626a_100000747261_100000183556 [0,1,0,0,0,0|2,0,1]=4 694 B11R0.59 CCCN(C)C(=O)COC(=O)C 240690a_100000747261_100000183556 [0,1,0,0,0,0|2,0,1]=4 695 B11R0.59 CCCN(C)C(=O)COC(=O)C 527a_100000747261_100000183556 [0,1,0,0,0,0|2,0,1]=4 696 B11R0.59 CCCN(C)C(C)COC(=O)C 270004a_100000747261_100000000629 [0,1,0,0,0,0|2,0,0]=3 697 B11R0.59 COCC(C)C(=O)COC(=O)C 1458a_100000183556_100000765312 [0,1,0,0,0,0|2,0,1]=4 698 B11R0.104 CCCC(C)(C)OCCC(=O)C 7a_100000748436_100000053229 [0,1,0,0,0,0|3,0,0]=4 699 B11R0.104 CCNS(=O)(=O)CCOC(=O)C 270084a_100015525214_200000119425 [0,1,0,0,0,0|2,1,0]=4 700 B11R0.104 CCNS(=O)(=O)CCOC(=O)C 274078a_100015525214_200000119425 [0,1,0,0,0,0|2,1,0]=4 701 B11R0.141 CCCC(=O)CCN(C)C(=O)C 1458a_100011216537_100000210303 [0,1,0,0,0,0|1,1,1]=4 702 B11R0.141 CCCC(C)COC(C)C(=O)C 34a_100000212229_100011216630 [0,1,0,0,0,0|3,0,0]=4 703 B11R0.141 CCCC(C)COC(C)C(=O)C 7a_100000688023_100000179758 [0,1,0,0,0,0|3,0,0]=4 704 B11R0.141 CCCC(C)CSC(C)C(=O)C 62a_100009814033_100011216630 [0,1,0,0,0,0|3,0,0]=4 705 B11R0.141 CCCC(C)CSC(C)C(=O)C 62a_100011216630_100009814033 [0,1,0,0,0,0|3,0,0]=4 706 B11R0.141 CCCC(C)OCC(=O)C(=O)C 34a_100000764384_100011261029 [0,1,0,0,0,0|3,0,0]=4 707 B11R0.141 CCCC(C)OCC(C)C(=O)C 34a_100000032740_100000766640 [0,1,0,0,0,0|3,0,0]=4 708 B11R0.141 CCCC(C)OCC(C)C(=O)C 7a_100000032740_100000766640 [0,1,0,0,0,0|3,0,0]=4 709 B11R0.141 CCCC(C)SCC(=O)C(=O)C 62a_100000766640_100011261029 [0,1,0,0,0,0|3,0,0]=4 710 B11R0.141 CCCC(C)SCC(=O)C(=O)C 62a_100011261029_100000766640 [0,1,0,0,0,0|3,0,0]=4 711 B11R0.145 CC(=O)OCCC(=O)C(O)CO 1458a_100011215603_100009814007 [0,1,0,0,0,0|1,1,1]=4 712 B11R0.145 CC(=O)OCCN(C)C(C)CO 269982a_100000693034_100009814007 [0,1,0,0,0,0|3,0,0]=4 713 B11R0.145 CCC(=O)C(C)SCOC(=O)C 62a_100000076356_100000742827 [0,1,0,0,0,0|2,0,1]=4 714 B11R0.145 CCC(=O)C(C)SCOC(=O)C 62a_100000742827_100000076356 [0,1,0,0,0,0|2,0,1]=4 715 B11R0.145 CCC(C)C(=O)CCCC(=O)C 1458a_100011192722_100011215641 [0,1,0,0,0,0|1,1,1]=4 716 B11R0.145 CCC(C)C(=O)CCNC(=O)C 1458a_100000183196_100000758301 [0,1,0,0,0,0|1,1,1]=4 717 B11R0.145 CCC(C)C(=O)CCNC(=O)C 1458a_100011192722_100000189650 [0,1,0,0,0,0|1,1,1]=4 718 B11R0.145 CCC(C)C(=O)CCOC(=O)C 1458a_100011192722_100009814007 [0,1,0,0,0,0|0,1,1]=3 719 B11R0.145 CCC(C)C(=O)CCOC(=O)N 1458a_100011192722_200011214921 [0,1,0,0,0,0|1,1,1]=4 720 B11R0.145 CCC(C)C(=O)CCSC(=O)C 1458a_100000048949_100000758301 [0,1,0,0,0,0|0,2,1]=4 721 B11R0.145 CCC(C)C(C)OCCC(=O)C 7a_100011215189_100000053229 [0,1,0,0,0,0|3,0,0]=4 722 B11R0.145 CCC(C)N(C)CCCC(=O)C 269982a_100000741768_100011215641 [0,1,0,0,0,0|3,0,0]=4 723 B11R0.145 CCC(C)N(C)CCNC(=O)C 2230a_100000741768_100000189650 [0,1,0,0,0,0|3,0,0]=4 724 B11R0.145 CCC(C)N(C)CCNC(=O)C 269982a_100000741768_100000189650 [0,1,0,0,0,0|3,0,0]=4 725 B11R0.145 CCC(C)N(C)CCOC(=O)C 269982a_100000741768_100009814007 [0,1,0,0,0,0|2,0,0]=3 726 B11R0.145 CCC(C)N(C)CCOC(=O)N 269982a_100000741768_200011214921 [0,1,0,0,0,0|3,0,0]=4 727 B11R0.145 CCC(O)C(=O)CCCC(=O)C 1458a_100011196387_100011215641 [0,1,0,0,0,0|1,1,1]=4 728 B11R0.145 CCC(O)C(=O)CCNC(=O)C 1458a_100011196387_100000189650 [0,1,0,0,0,0|1,1,1]=4 729 B11R0.145 CCC(O)C(=O)CCOC(=O)C 1458a_100011196387_100009814007 [0,1,0,0,0,0|0,1,1]=3 730 B11R0.145 CCC(O)C(=O)CCOC(=O)N 1458a_100011196387_200011214921 [0,1,0,0,0,0|1,1,1]=4 731 B11R0.145 CCN(C)C(C)CCNC(=O)C 1626a_100011369392_100015343762 [0,1,0,0,0,0|3,0,0]=4 732 B11R0.145 CCN(C)C(C)CCNC(=O)C 240690a_100011369392_100015343762 [0,1,0,0,0,0|3,0,0]=4 733 B11R0.145 CCN(C)C(C)CCNC(=O)C 527a_100011369392_100103153847 [0,1,0,0,0,0|3,0,0]=4 734 B11R0.145 COC(C)C(=O)CCOC(=O)C 1458a_100000743197_100009814007 [0,1,0,0,0,0|1,1,1]=4 735 B11R0.145 CSC(C)C(=O)CCOC(=O)C 1458a_100000149566_100009814007 [0,1,0,0,0,0|1,1,1]=4 736 B11R0.147 C#CCCC(=O)CCOC(=O)C 1458a_100000692101_100009814007 [0,1,0,0,0,0|0,1,2]=4 737 B11R0.147 C=CCCC(=O)CCOC(=O)C 1458a_100000749702_100009814007 [0,1,0,0,0,0|0,1,2]=4 738 B11R0.147 C=CCCC(C)OCOC(=O)C 34a_100000765329_100009813279 [0,1,0,0,0,0|2,0,1]=4 739 B11R0.147 C=CCCN(C)CCOC(=O)C 269982a_100020639649_100009814007 [0,1,0,0,0,0|2,0,1]=4 740 B11R0.147 CC(=CCCC(C)CCO[13CH3])C 34a_100000017536_200025704644 [0,1,0,0,0,0|3,0,0]=4 741 B11R0.147 CC(=CCCC(C)CCO[13CH3])C 7a_100000017536_200025704644 [0,1,0,0,0,0|3,0,0]=4 742 B11R0.147 CC(=CCCC(C)CCS[13CH3])C 62a_100009814015_200025704644 [0,1,0,0,0,0|3,0,0]=4 743 B11R0.147 CC(=CCCC(C)CCS[13CH3])C 62a_200025704644_100009814015 [0,1,0,0,0,0|3,0,0]=4 744 B11R0.147 CC(=O)CCCN(C)CCCO 269982a_100000213112_100011215641 [0,1,0,0,0,0|3,0,0]=4 745 B11R0.147 CC(=O)CCOC(C)CCCCl 7a_200000718107_100000053229 [0,1,0,0,0,0|3,0,0]=4 746 B11R0.147 CC(=O)NCCC(=O)CCCF 1458a_100000183196_100011934791 [0,1,0,0,0,0|1,1,1]=4 747 B11R0.147 CC(=O)NCCC(=O)CCCO 1458a_100000183196_100011215043 [0,1,0,0,0,0|1,1,1]=4 748 B11R0.147 CC(=O)NCCN(C)CCCO 2230a_100000213112_100000189650 [0,1,0,0,0,0|3,0,0]=4 749 B11R0.147 CC(=O)NCCN(C)CCCO 269982a_100000213112_100000189650 [0,1,0,0,0,0|3,0,0]=4 750 B11R0.147 CC(=O)OCCC(=O)CCC#N 1458a_100011934036_100009814007 [0,1,0,0,0,0|0,1,2]=4 751 B11R0.147 CC(=O)OCCN(C)CCCO 269982a_100000213112_100009814007 [0,1,0,0,0,0|2,0,0]=3 752 B11R0.147 CC(=O)OCOC(C)CCCCl 34a_200000718107_100009813279 [0,1,0,0,0,0|2,0,0]=3 753 B11R0.147 CC(=O)SCCC(=O)CCCF 1458a_100000048949_100011934791 [0,1,0,0,0,0|0,2,1]=4 754 B11R0.147 CC(=O)SCCC(=O)CCCO 1458a_100000048949_100011215043 [0,1,0,0,0,0|0,2,1]=4 755 B11R0.147 CC=CCC(=O)CCOC(=O)C 1458a_100121576822_100009814007 [0,1,0,0,0,0|0,1,2]=4 756 B11R0.147 CCC#CC(=O)CCOC(=O)C 1458a_100011827653_100009814007 [0,1,0,0,0,0|0,1,2]=4 757 B11R0.147 CCC#CC(C)OCOC(=O)C 34a_100000033903_100009813279 [0,1,0,0,0,0|2,0,1]=4 758 B11R0.147 CCC=CC(=O)CCOC(=O)C 1458a_100000212282_100009814007 [0,1,0,0,0,0|0,1,2]=4 759 B11R0.147 CCCCC(=O)CCCC(=O)C 1458a_100000210183_100011215641 [0,1,0,0,0,0|1,1,1]=4 760 B11R0.147 CCCCC(=O)CCNC(=O)C 1458a_100000183196_100000210211 [0,1,0,0,0,0|1,1,1]=4 761 B11R0.147 CCCCC(=O)CCNC(=O)C 1458a_100000210183_100000189650 [0,1,0,0,0,0|1,1,1]=4 762 B11R0.147 CCCCC(=O)CCOC(=O)C 1458a_100000210183_100009814007 [0,1,0,0,0,0|0,1,1]=3 763 B11R0.147 CCCCC(=O)CCOC(=O)N 1458a_100000210183_200011214921 [0,1,0,0,0,0|1,1,1]=4 764 B11R0.147 CCCCC(=O)CCSC(=O)C 1458a_100000048949_100000210211 [0,1,0,0,0,0|0,2,1]=4 765 B11R0.147 CCCCC(C)OCCC(=O)C 34a_100000759926_200011215066 [0,1,0,0,0,0|3,0,0]=4 766 B11R0.147 CCCCC(C)OCCC(=O)C 7a_100000687866_100000053229 [0,1,0,0,0,0|3,0,0]=4 767 B11R0.147 CCCCC(C)OCCC(=O)C 7a_100000759926_200011215066 [0,1,0,0,0,0|3,0,0]=4 768 B11R0.147 CCCCC(C)OCOC(=O)C 34a_100000687866_100009813279 [0,1,0,0,0,0|2,0,0]=3 769 B11R0.147 CCCCC(C)SCCC(=O)C 62a_100000053229_200011215066 [0,1,0,0,0,0|3,0,0]=4 770 B11R0.147 CCCCC(C)SCCC(=O)C 62a_200011215066_100000053229 [0,1,0,0,0,0|3,0,0]=4 771 B11R0.147 CCCCC(C)SCOC(=O)C 62a_100000076356_200011215066 [0,1,0,0,0,0|2,0,0]=3 772 B11R0.147 CCCCC(C)SCOC(=O)C 62a_200011215066_100000076356 [0,1,0,0,0,0|2,0,0]=3 773 B11R0.147 CCCCN(C)CCCC(=O)C 269982a_100000207549_100011215641 [0,1,0,0,0,0|3,0,0]=4 774 B11R0.147 CCCCN(C)CCNC(=O)C 1626a_200000754967_100015343762 [0,1,0,0,0,0|3,0,0]=4 775 B11R0.147 CCCCN(C)CCNC(=O)C 2230a_100000207549_100000189650 [0,1,0,0,0,0|3,0,0]=4 776 B11R0.147 CCCCN(C)CCNC(=O)C 240690a_200000754967_100015343762 [0,1,0,0,0,0|3,0,0]=4 777 B11R0.147 CCCCN(C)CCNC(=O)C 269982a_100000207549_100000189650 [0,1,0,0,0,0|3,0,0]=4 778 B11R0.147 CCCCN(C)CCNC(=O)C 527a_200000754967_100103153847 [0,1,0,0,0,0|3,0,0]=4 779 B11R0.147 CCCCN(C)CCOC(=O)C 269982a_100000207549_100009814007 [0,1,0,0,0,0|2,0,0]=3 780 B11R0.147 CCCCN(C)CCOC(=O)N 269982a_100000207549_200011214921 [0,1,0,0,0,0|3,0,0]=4 781 B11R0.147 CCCNC(=O)CCCC(=O)C 1458a_100000070787_100011194427 [0,1,0,0,0,0|1,1,1]=4 782 B11R0.147 CCCNC(=O)CCCC(=O)C 1458a_100000199544_200000210301 [0,1,0,0,0,0|1,1,1]=4 783 B11R0.147 CCCNC(=O)CCCC(=O)[13CH3] 1458a_100000199544_200025704644 [0,1,0,0,0,0|1,1,1]=4 784 B11R0.147 CCCNC(=O)CCNC(=O)C 11a_100020643023_100000183196 [0,1,0,0,0,0|1,1,1]=4 785 B11R0.147 CCCNC(=O)CCNC(=O)C 1626a_100020643023_100000183196 [0,1,0,0,0,0|1,1,1]=4 786 B11R0.147 CCCNC(=O)CCNC(=O)C 240690a_100020643023_100000183196 [0,1,0,0,0,0|1,1,1]=4 787 B11R0.147 CCCNC(=O)CCNC(=O)C 527a_100020643023_100000183196 [0,1,0,0,0,0|1,1,1]=4 788 B11R0.147 CCCNC(=O)CCSC(=O)C 1626a_100020643023_100000048949 [0,1,0,0,0,0|0,2,1]=4 789 B11R0.147 CCCNC(=O)CCSC(=O)C 240690a_100020643023_100000048949 [0,1,0,0,0,0|0,2,1]=4 790 B11R0.147 CCCNC(C)CCC=C(C)C 270004a_100020643023_100000765506 [0,1,0,0,0,0|3,0,0]=4 791 B11R0.147 CCCNC(C)CCOC(C)C 270004a_100020643023_200011219172 [0,1,0,0,0,0|2,0,1]=4 792 B11R0.147 CCCOC(C)CCC=C(C)C 34a_100102619829_100000210303 [0,1,0,0,0,0|3,0,0]=4 793 B11R0.147 CCCOC(C)CCC=C(C)C 7a_100102619829_100000210303 [0,1,0,0,0,0|3,0,0]=4 794 B11R0.147 CCCOC(C)CCCC(=O)[O-] 7a_100000761597_100000210303 [0,1,0,0,0,0|3,0,0]=4 795 B11R0.147 CCNCC(C)CCC=C(C)C 270004a_100015525214_100000033009 [0,1,0,0,0,0|3,0,0]=4 796 B11R0.147 CCOCC(=O)CCCC(=O)C 1458a_100000211967_100011215641 [0,1,0,0,0,0|1,1,1]=4 797 B11R0.147 CCOCC(=O)CCNC(=O)C 1458a_100000211967_100000189650 [0,1,0,0,0,0|1,1,1]=4 798 B11R0.147 CCOCC(=O)CCOC(=O)C 1458a_100000211967_100009814007 [0,1,0,0,0,0|0,1,1]=3 799 B11R0.147 CCOCC(=O)CCOC(=O)N 1458a_100000211967_200011214921 [0,1,0,0,0,0|1,1,1]=4 800 B11R0.147 CCOCC(C)OCCC(=O)C 7a_100000718985_100000053229 [0,1,0,0,0,0|3,0,0]=4 801 B11R0.147 CCOCC(C)OCOC(=O)C 34a_100000718985_100009813279 [0,1,0,0,0,0|2,0,0]=3 802 B11R0.147 CCSCC(=O)CCCC(=O)C 1458a_100000230394_100011215641 [0,1,0,0,0,0|1,1,1]=4 803 B11R0.147 CCSCC(=O)CCNC(=O)C 1458a_100000230394_100000189650 [0,1,0,0,0,0|1,1,1]=4 804 B11R0.147 CCSCC(=O)CCOC(=O)C 1458a_100000230394_100009814007 [0,1,0,0,0,0|0,1,1]=3 805 B11R0.147 CCSCC(=O)CCOC(=O)N 1458a_100000230394_200011214921 [0,1,0,0,0,0|1,1,1]=4 806 B11R0.147 CN(CCCO)CCOC(=O)N 269982a_100000213112_200011214921 [0,1,0,0,0,0|3,0,0]=4 807 B11R0.147 CNCCC(C)CCC=C(C)C 2230a_106832991635_100009814015 [0,1,0,0,0,0|3,0,0]=4 808 B11R0.147 CNCCC(C)CCC=C(C)C 269862a_106832991636_100000212096 [0,1,0,0,0,0|3,0,0]=4 809 B11R0.147 CNCCC(C)CCC=C(C)C 270004a_106832991635_100000212096 [0,1,0,0,0,0|3,0,0]=4 810 B11R0.147 CNCCC(C)CCC=C(C)C 34a_100102657272_100009814015 [0,1,0,0,0,0|3,0,0]=4 811 B11R0.147 CNCCC(C)CCC=C(C)C 7a_106832991635_100009814015 [0,1,0,0,0,0|3,0,0]=4 812 B11R0.147 COCCC(=O)CCCC(=O)C 1458a_100000749529_100011215641 [0,1,0,0,0,0|1,1,1]=4 813 B11R0.147 COCCC(=O)CCNC(=O)C 1458a_100000183196_100000233755 [0,1,0,0,0,0|1,1,1]=4 814 B11R0.147 COCCC(=O)CCNC(=O)C 1458a_100000749529_100000189650 [0,1,0,0,0,0|1,1,1]=4 815 B11R0.147 COCCC(=O)CCOC(=O)C 1458a_100000749529_100009814007 [0,1,0,0,0,0|0,1,1]=3 816 B11R0.147 COCCC(=O)CCOC(=O)N 1458a_100000749529_200011214921 [0,1,0,0,0,0|1,1,1]=4 817 B11R0.147 COCCC(=O)CCSC(=O)C 1458a_100000048949_100000233755 [0,1,0,0,0,0|0,2,1]=4 818 B11R0.147 COCCC(C)CCC=C(C)C 34a_100000017536_200000210301 [0,1,0,0,0,0|3,0,0]=4 819 B11R0.147 COCCC(C)CCC=C(C)C 34a_100138415774_100009814015 [0,1,0,0,0,0|3,0,0]=4 820 B11R0.147 COCCC(C)CCC=C(C)C 7a_100000017536_200000210301 [0,1,0,0,0,0|3,0,0]=4 821 B11R0.147 COCCN(C)CCCC(=O)C 269982a_100000743101_100011215641 [0,1,0,0,0,0|3,0,0]=4 822 B11R0.147 COCCN(C)CCNC(=O)C 2230a_100000743101_100000189650 [0,1,0,0,0,0|3,0,0]=4 823 B11R0.147 COCCN(C)CCNC(=O)C 269982a_100000743101_100000189650 [0,1,0,0,0,0|3,0,0]=4 824 B11R0.147 COCCN(C)CCOC(=O)C 269982a_100000743101_100009814007 [0,1,0,0,0,0|2,0,0]=3 825 B11R0.147 COCCN(C)CCOC(=O)N 269982a_100000743101_200011214921 [0,1,0,0,0,0|3,0,0]=4 826 B11R0.147 CSCCC(=O)CCCC(=O)C 1458a_100000174002_100011215641 [0,1,0,0,0,0|1,1,1]=4 827 B11R0.147 CSCCC(=O)CCNC(=O)C 1458a_100000174002_100000189650 [0,1,0,0,0,0|1,1,1]=4 828 B11R0.147 CSCCC(=O)CCNC(=O)C 1458a_100000183196_100000751147 [0,1,0,0,0,0|1,1,1]=4 829 B11R0.147 CSCCC(=O)CCOC(=O)C 1458a_100000174002_100009814007 [0,1,0,0,0,0|0,1,1]=3 830 B11R0.147 CSCCC(=O)CCOC(=O)N 1458a_100000174002_200011214921 [0,1,0,0,0,0|1,1,1]=4 831 B11R0.147 CSCCC(=O)CCSC(=O)C 1458a_100000048949_100000751147 [0,1,0,0,0,0|0,2,1]=4 832 B11R0.147 CSCCC(C)CCC=C(C)C 62a_100009814015_200000210301 [0,1,0,0,0,0|3,0,0]=4 833 B11R0.147 CSCCC(C)CCC=C(C)C 62a_200000210301_100009814015 [0,1,0,0,0,0|3,0,0]=4 834 B11R0.147 CSCCN(C)CCCC(=O)C 269982a_100000686725_100011215641 [0,1,0,0,0,0|3,0,0]=4 835 B11R0.147 CSCCN(C)CCNC(=O)C 2230a_100000686725_100000189650 [0,1,0,0,0,0|3,0,0]=4 836 B11R0.147 CSCCN(C)CCNC(=O)C 269982a_100000686725_100000189650 [0,1,0,0,0,0|3,0,0]=4 837 B11R0.147 CSCCN(C)CCOC(=O)C 269982a_100000686725_100009814007 [0,1,0,0,0,0|2,0,0]=3 838 B11R0.147 CSCCN(C)CCOC(=O)N 269982a_100000686725_200011214921 [0,1,0,0,0,0|3,0,0]=4 839 B11R0.174 C#CC(C)OCCC(C)CCC 34a_100011217855_200000035995 [0,1,0,0,0,0|2,0,1]=4 840 B11R0.174 C#CC(C)OCC[C@@H](N)CCC 34a_100015193777_200000035995 [0,1,0,0,0,0|2,0,1]=4 841 B11R0.174 C=CC(=O)OCCC(=O)CCC 1458a_100000065099_100000210303 [0,1,0,0,0,0|0,1,2]=4 842 B11R0.174 C=CC(=O)OCCC(=O)CCC 1458a_100000211992_100009813456 [0,1,0,0,0,0|0,1,2]=4 843 B11R0.174 C=CC(=O)OCCN(C)CCC 2230a_100000747261_100009813456 [0,1,0,0,0,0|2,0,1]=4 844 B11R0.174 C=CC(=O)OCCN(C)CCC 269982a_100000747261_100009813456 [0,1,0,0,0,0|2,0,1]=4 845 B11R0.174 CCCC(=O)CCCC(=O)NC 1458a_100000211992_100000741757 [0,1,0,0,0,0|1,1,1]=4 846 B11R0.174 CCCC(=O)CCCC(=O)OC 1458a_100000211992_100011218270 [0,1,0,0,0,0|1,1,1]=4 847 B11R0.174 CCCC(=O)CCCC(=O)OC 1458a_100000239890_100000210303 [0,1,0,0,0,0|1,1,1]=4 848 B11R0.174 CCCC(=O)CCOC(=O)NC 1458a_100000211992_200011997002 [0,1,0,0,0,0|0,1,1]=3 849 B11R0.174 CCCC(C)CCOC(C)C#N 7a_100011217855_100000703298 [0,1,0,0,0,0|2,0,1]=4 850 B11R0.174 CCCC(C)CCOC(C)CC 34a_100011217855_100011215416 [0,1,0,0,0,0|2,0,1]=4 851 B11R0.174 CCCC(C)CCOC(C)CC 7a_100011217855_100000758301 [0,1,0,0,0,0|2,0,1]=4 852 B11R0.174 CCCC(C)CCOC(C)CO 34a_100011217855_100012180447 [0,1,0,0,0,0|1,0,2]=4 853 B11R0.174 CCCC(C)CCOC(C)CO 7a_100011217855_100012180447 [0,1,0,0,0,0|1,0,2]=4 854 B11R0.174 CCCC(C)CNCC(=O)NC 2230a_100000693194_100011216630 [0,1,0,0,0,0|3,0,0]=4 855 B11R0.174 CCCC(C)CNCC(=O)NC 270004a_100000693194_100000243154 [0,1,0,0,0,0|3,0,0]=4 856 B11R0.174 CCCC(C)COCC(=O)CC 34a_100000725409_100011216630 [0,1,0,0,0,0|3,0,0]=4 857 B11R0.174 CCCC(C)COCC(=O)CC 7a_100000688023_100000747405 [0,1,0,0,0,0|3,0,0]=4 858 B11R0.174 CCCC(C)COCC(=O)NC 34a_100000688023_100000183359 [0,1,0,0,0,0|3,0,0]=4 859 B11R0.174 CCCC(C)COCC(=O)NC 34a_100000750040_100011216630 [0,1,0,0,0,0|3,0,0]=4 860 B11R0.174 CCCC(C)COCC(=O)NC 7a_100000688023_100000183359 [0,1,0,0,0,0|3,0,0]=4 861 B11R0.174 CCCC(C)COCC(=O)OC 34a_100000688023_100000747449 [0,1,0,0,0,0|3,0,0]=4 862 B11R0.174 CCCC(C)COCC(=O)OC 7a_100000688023_100000747449 [0,1,0,0,0,0|3,0,0]=4 863 B11R0.174 CCCC(C)CSCC(=O)CC 62a_100000747405_100011216630 [0,1,0,0,0,0|3,0,0]=4 864 B11R0.174 CCCC(C)CSCC(=O)CC 62a_100011216630_100000747405 [0,1,0,0,0,0|3,0,0]=4 865 B11R0.174 CCCC(C)CSCC(=O)NC 62a_100000183359_100011216630 [0,1,0,0,0,0|3,0,0]=4 866 B11R0.174 CCCC(C)CSCC(=O)NC 62a_100011216630_100000183359 [0,1,0,0,0,0|3,0,0]=4 867 B11R0.174 CCCC(C)CSCC(=O)OC 62a_100000747449_100011216630 [0,1,0,0,0,0|3,0,0]=4 868 B11R0.174 CCCC(C)CSCC(=O)OC 62a_100011216630_100000747449 [0,1,0,0,0,0|3,0,0]=4 869 B11R0.174 CCCC(C)NCCC(=O)NC 2230a_100000738227_100000766640 [0,1,0,0,0,0|3,0,0]=4 870 B11R0.174 CCCC(C)NCCC(=O)NC 2230a_100000741246_100000737683 [0,1,0,0,0,0|3,0,0]=4 871 B11R0.174 CCCC(C)NCCC(=O)NC 270004a_100000738227_100000211909 [0,1,0,0,0,0|3,0,0]=4 872 B11R0.174 CCCC(C)NCCC(=O)NC 34a_100000738227_100000766640 [0,1,0,0,0,0|3,0,0]=4 873 B11R0.174 CCCC(C)NCCC(=O)OC 2230a_100000741246_100000204255 [0,1,0,0,0,0|3,0,0]=4 874 B11R0.174 CCCC(C)OCCC(=O)NC 34a_100000754576_100000766640 [0,1,0,0,0,0|3,0,0]=4 875 B11R0.174 CCCC(C)OCCC(=O)NC 34a_100000764384_100012179268 [0,1,0,0,0,0|3,0,0]=4 876 B11R0.174 CCCC(C)OCCC(=O)NC 7a_100000764384_100000737683 [0,1,0,0,0,0|3,0,0]=4 877 B11R0.174 CCCC(C)OCCC(=O)OC 34a_100000764384_100000742370 [0,1,0,0,0,0|3,0,0]=4 878 B11R0.174 CCCC(C)OCCC(=O)OC 7a_100000764384_100000204255 [0,1,0,0,0,0|3,0,0]=4 879 B11R0.174 CCCC(C)SCCC(=O)NC 62a_100000737683_100000766640 [0,1,0,0,0,0|3,0,0]=4 880 B11R0.174 CCCC(C)SCCC(=O)NC 62a_100000766640_100000737683 [0,1,0,0,0,0|3,0,0]=4 881 B11R0.174 CCCC(C)SCCC(=O)OC 62a_100000204255_100000766640 [0,1,0,0,0,0|3,0,0]=4 882 B11R0.174 CCCC(C)SCCC(=O)OC 62a_100000766640_100000204255 [0,1,0,0,0,0|3,0,0]=4 883 B11R0.174 CCCC(C)SCOC(=O)OC 62a_100000766640_100000139417 [0,1,0,0,0,0|2,0,0]=3 884 B11R0.174 CCCN(C)CCCC(=O)NC 2230a_100000747261_100000741757 [0,1,0,0,0,0|3,0,0]=4 885 B11R0.174 CCCN(C)CCCC(=O)NC 269982a_100000747261_100000741757 [0,1,0,0,0,0|3,0,0]=4 886 B11R0.174 CCCN(C)CCCC(=O)OC 2230a_100000747261_100011218270 [0,1,0,0,0,0|3,0,0]=4 887 B11R0.174 CCCN(C)CCCC(=O)OC 269982a_100000739225_100000210303 [0,1,0,0,0,0|3,0,0]=4 888 B11R0.174 CCCN(C)CCCC(=O)OC 269982a_100000747261_100011218270 [0,1,0,0,0,0|3,0,0]=4 889 B11R0.174 CCCN(C)CCOC(=O)NC 269982a_100000747261_200011997002 [0,1,0,0,0,0|2,0,0]=3 890 B11R0.174 CCC[C@H](N)CCOC(C)CC 34a_100015193777_100011215416 [0,1,0,0,0,0|2,0,1]=4 891 B11R0.174 CCC[C@H](N)CCOC(C)CO 34a_100015193777_100012180447 [0,1,0,0,0,0|1,0,2]=4 892 B11R0.174 CCC[C@H](N)COCC(=O)NC 34a_100000732646_100000183359 [0,1,0,0,0,0|3,0,0]=4 893 B11R0.174 CCC[C@H](N)COCC(=O)OC 34a_100000732646_100000747449 [0,1,0,0,0,0|3,0,0]=4 894 B11R0.174 CNC(=O)OCCC(=O)CCO 1458a_100011216618_200011997002 [0,1,0,0,0,0|1,1,1]=4 895 B11R0.174 CNC(=O)OCCC(=O)COC 1458a_100000210968_200011997002 [0,1,0,0,0,0|1,1,1]=4 896 B11R0.174 CNC(=O)OCCC(=O)CSC 1458a_100000184570_200011997002 [0,1,0,0,0,0|1,1,1]=4 897 B11R0.174 CNC(=O)OCCN(C)CCO 269982a_100000210263_200011997002 [0,1,0,0,0,0|3,0,0]=4 898 B11R0.174 COC(=O)OCSC(C)CCO 62a_100009893172_100000139417 [0,1,0,0,0,0|3,0,0]=4 899 B11R0.174 COCC(C)SCOC(=O)OC 62a_100000765312_100000139417 [0,1,0,0,0,0|3,0,0]=4 900 B11R0.180 CCCC(=O)CCOS(=O)(=O)C 1458a_100000211992_200000036756 [0,1,0,0,0,0|1,1,1]=4 901 B11R0.180 CCCC(C)CCOC(C)(C)C 34a_100011217855_100000210625 [0,1,0,0,0,0|2,0,1]=4 902 B11R0.180 CCCN(C)CCOS(=O)(=O)C 2230a_100000747261_200000036756 [0,1,0,0,0,0|3,0,0]=4 903 B11R0.180 CCCN(C)CCOS(=O)(=O)C 269982a_100000747261_200000036756 [0,1,0,0,0,0|3,0,0]=4 904 B11R0.180 CCC[C@H](N)CCOC(C)(C)C 34a_100015193777_100000210625 [0,1,0,0,0,0|2,0,1]=4 905 B11R1.15 CCCC(=O)C1CNC(=O)C1 1458a_100000747279_100000210303 [0,0,0,1,0,0|1,1,1]=4 906 B11R1.15 CCCC(C)N1CNC(=O)C1 2230a_200000708111_100000766640 [0,0,0,1,0,0|3,0,0]=4 907 B11R1.90 CC(=O)CCC1CCCN1C 1458a_100000070787_100000005710 [0,0,0,1,0,0|3,0,0]=4 908 B11R1.90 CC(=O)CCN1CCC[C@@H]1C 269982a_100020605311_100000053229 [0,0,0,1,0,0|3,0,0]=4 909 B11R1.90 CC(=O)CCN1CCC[C@H]1C 269982a_100015189458_100000053229 [0,0,0,1,0,0|3,0,0]=4 910 B11R1.90 CC(=O)NC[C@@H]1CCCN1C 240690a_100009821018_100015343762 [0,0,0,1,0,0|3,0,0]=4 911 B11R1.90 CC(=O)NC[C@@H]1CCCN1C 527a_100009821018_100103153847 [0,0,0,1,0,0|3,0,0]=4 912 B11R1.90 CC(=O)OCN1CCC[C@@H]1C 269982a_100020605311_100000076356 [0,0,0,1,0,0|2,0,0]=3 913 B11R1.90 CC(=O)OCN1CCC[C@H]1C 269982a_100015189458_100000076356 [0,0,0,1,0,0|2,0,0]=3 914 B11R1.90 CC(=O)OCN1CCC[C@H]1C 34a_100015189458_100009813279 [0,0,0,1,0,0|2,0,0]=3 915 B11R1.90 CC(=O)OCN1CCSC1C 269982a_200011216479_100000076356 [0,0,0,1,0,0|3,0,0]=4 916 B11R1.90 CC(=O)OCN1CCSC1C 34a_200011216479_100009813279 [0,0,0,1,0,0|3,0,0]=4 917 B11R1.120 CC(=O)OC1CN(C1)CCF 269982a_100016994906_100011217306 [0,0,0,1,0,0|3,0,0]=4 918 B11R1.120 CC(=O)OC1CN(C1)CCO 269982a_100016994906_100000211926 [0,0,0,1,0,0|3,0,0]=4 919 B11R1.120 CCCN1CC(C1)OC(=O)C 269982a_100016994906_100000210303 [0,0,0,1,0,0|2,0,0]=3 920 B11R1.120 COCC1CC(C1)NC(=O)C 11a_100012180050_100015343762 [0,0,0,1,0,0|3,0,0]=4 921 B11R1.120 COCC1CC(C1)NC(=O)C 1626a_100012180050_100015343762 [0,0,0,1,0,0|3,0,0]=4 922 B11R1.120 COCC1CC(C1)NC(=O)C 240690a_100012180050_100015343762 [0,0,0,1,0,0|3,0,0]=4 923 B11R1.120 COCC1CC(C1)NC(=O)C 527a_100012180050_100103153847 [0,0,0,1,0,0|3,0,0]=4 924 B11R1.120 COCN1CC(C1)OC(=O)C 269982a_100016994906_100000766300 [0,0,0,1,0,0|3,0,0]=4 925 B11R1.120 CSCN1CC(C1)OC(=O)C 269982a_100016994906_100011218213 [0,0,0,1,0,0|3,0,0]=4 926 B11R1.124 CC(=O)N1CCC(C1)CCO 240690a_100016987287_100015343762 [0,0,0,1,0,0|3,0,0]=4 927 B11R1.124 CC(=O)N1CCC(C1)CCO 527a_100016987287_100103153847 [0,0,0,1,0,0|3,0,0]=4 928 B11R1.124 CCNC1CCN(C1)C(=O)C 2230a_100000705975_100000210202 [0,0,0,1,0,0|3,0,0]=4 929 B11R1.124 CCO[C@H]1CCN(C1)C(=O)C 11a_100011787710_100015343762 [0,0,0,1,0,0|3,0,0]=4 930 B11R1.124 CCO[C@H]1CCN(C1)C(=O)C 1626a_100011787710_100015343762 [0,0,0,1,0,0|3,0,0]=4 931 B11R1.124 CCO[C@H]1CCN(C1)C(=O)C 240690a_100011787710_100015343762 [0,0,0,1,0,0|3,0,0]=4 932 B11R1.124 CCO[C@H]1CCN(C1)C(=O)C 527a_100011787710_100103153847 [0,0,0,1,0,0|3,0,0]=4 933 B11R1.124 CCO[C@H]1CCN(C1)C(=O)C 7a_100012000934_100000210202 [0,0,0,1,0,0|3,0,0]=4 934 B11R1.124 COCC1CCN(C1)C(=O)C 11a_100025706693_100015343762 [0,0,0,1,0,0|3,0,0]=4 935 B11R1.124 COCC1CCN(C1)C(=O)C 1626a_100025706693_100015343762 [0,0,0,1,0,0|3,0,0]=4 936 B11R1.124 COCC1CCN(C1)C(=O)C 240690a_100025706693_100015343762 [0,0,0,1,0,0|3,0,0]=4 937 B11R1.124 COCC1CCN(C1)C(=O)C 527a_100025706693_100103153847 [0,0,0,1,0,0|3,0,0]=4 938 B11R1.135 CCCN1CCNC(=O)CC1 2230a_100000698595_100000210303 [0,0,0,1,0,0|3,0,0]=4 939 B11R1.135 CCCN1CCNC(=O)CC1 269982a_100000698595_100000210303 [0,0,0,1,0,0|3,0,0]=4 940 B11R1.154 CC(=O)CCCN1CC(C1)C 269982a_100000702820_100011215641 [0,0,0,1,0,0|3,0,0]=4 941 B11R1.154 CC(=O)CCCN1CC(C1)C 34a_100000702820_100000685027 [0,0,0,1,0,0|3,0,0]=4 942 B11R1.154 CC(=O)NCCN1CC(C1)C 2230a_100000702820_100000189650 [0,0,0,1,0,0|3,0,0]=4 943 B11R1.154 CC(=O)NCCN1CC(C1)C 269982a_100000702820_100000189650 [0,0,0,1,0,0|3,0,0]=4 944 B11R1.154 CC(=O)OCCN1CC(C1)C 269982a_100000702820_100009814007 [0,0,0,1,0,0|2,0,0]=3 945 B11R1.154 CC(=O)OCCN1CC(C1)C 34a_100000702820_100009814007 [0,0,0,1,0,0|2,0,0]=3 946 B11R1.154 CC(=O)OCCN1CC(C1)F 269982a_100000690557_100009814007 [0,0,0,1,0,0|3,0,0]=4 947 B11R1.154 CC(=O)OCCN1CC(C1)F 34a_100000690557_100009814007 [0,0,0,1,0,0|3,0,0]=4 948 B11R1.154 CC(=O)OCCN1CC(C1)O 269982a_100000749847_100009814007 [0,0,0,1,0,0|3,0,0]=4 949 B11R1.154 CC1CN(C1)CCOC(=O)N 269982a_100000702820_200011214921 [0,0,0,1,0,0|3,0,0]=4 950 B11R1.154 CC1CN(C1)CCOC(=O)N 34a_100000702820_200011214921 [0,0,0,1,0,0|3,0,0]=4 951 B11R1.157 CC(=O)CC1CCCC(C1)C 1458a_100000748788_200000210301 [0,0,0,1,0,0|2,0,0]=3 952 B11R1.157 CC(=O)CC1CCCN(C1)C 1458a_100000070787_100015183302 [0,0,0,1,0,0|3,0,0]=4 953 B11R1.157 CC(=O)NC1CCCC(C1)C 11a_100011194320_100015343762 [0,0,0,1,0,0|2,0,0]=3 954 B11R1.157 CC(=O)NC1CCCC(C1)C 1626a_100011194320_100015343762 [0,0,0,1,0,0|2,0,0]=3 955 B11R1.157 CC(=O)NC1CCCC(C1)C 240690a_100011194320_100015343762 [0,0,0,1,0,0|2,0,0]=3 956 B11R1.157 CC(=O)NC1CCCC(C1)C 527a_100011194320_100103153847 [0,0,0,1,0,0|2,0,0]=3 957 B11R1.157 CC(=O)NC1CCCC(C1)O 1626a_100015190357_100015343762 [0,0,0,1,0,0|1,1,0]=3 958 B11R1.157 CC(=O)NC1CCCC(C1)O 240690a_100015190357_100015343762 [0,0,0,1,0,0|1,1,0]=3 959 B11R1.157 CC(=O)NC1CCCN(C1)C 2230a_106657272119_200000210301 [0,0,0,1,0,0|3,0,0]=4 960 B11R1.157 CC(=O)NC1CCCN(C1)C 269982a_106657272119_200000210301 [0,0,0,1,0,0|3,0,0]=4 961 B11R1.157 CC(=O)NC1CCCN(C1)[13CH3] 2230a_106657272119_200025704644 [0,0,0,1,0,0|3,0,0]=4 962 B11R1.157 CC(=O)NC1CCCN(C1)[13CH3] 269982a_106657272119_200025704644 [0,0,0,1,0,0|3,0,0]=4 963 B11R1.157 CC(=O)N[C@H]1CCCN(C1)C 240690a_100016992120_100015343762 [0,0,0,1,0,0|3,0,0]=4 964 B11R1.157 CC(=O)N[C@H]1CCCN(C1)C 527a_100016992120_100103153847 [0,0,0,1,0,0|3,0,0]=4 965 B11R1.157 CC1CCCC(C1)CC(=O)[13CH3] 1458a_100000748788_200025704644 [0,0,0,1,0,0|2,0,0]=3 966 B11R1.157 CC1CCCC(C1)OC(C)C 34a_100000211399_100000210206 [0,0,0,1,0,0|2,0,1]=4 967 B11R1.166 CC(=O)N1CCN(C[C@@H]1C)C 11a_100012002466_100015343762 [0,0,0,1,0,0|3,0,0]=4 968 B11R1.166 CC(=O)N1CCN(C[C@@H]1C)C 240690a_100012002466_100015343762 [0,0,0,1,0,0|3,0,0]=4 969 B11R1.166 CC(=O)N1CCN(C[C@@H]1C)C 527a_100012002466_100103153847 [0,0,0,1,0,0|3,0,0]=4 970 B11R1.172 CC(=O)CCCC1CCCC1 1458a_100000070787_100011713738 [0,0,0,1,0,0|2,0,0]=3 971 B11R1.172 CC(=O)CCCC1OCCO1 1458a_100000070787_100000042513 [0,0,0,1,0,0|2,1,0]=4 972 B11R1.172 CC(=O)CCCN1CCCC1 1458a_100000070787_100011445909 [0,0,0,1,0,0|3,0,0]=4 973 B11R1.172 CC(=O)CCCN1CCCC1 1458a_100000743284_200000210301 [0,0,0,1,0,0|3,0,0]=4 974 B11R1.172 CC(=O)CCCN1CCCC1 269982a_100000188435_100011215641 [0,0,0,1,0,0|3,0,0]=4 975 B11R1.172 CC(=O)CCOC1CCCC1 34a_100000759926_100000179811 [0,0,0,1,0,0|3,0,0]=4 976 B11R1.172 CC(=O)CCOC1CCCC1 7a_100000210269_100000053229 [0,0,0,1,0,0|3,0,0]=4 977 B11R1.172 CC(=O)CCOC1CCCC1 7a_100000759926_100000179811 [0,0,0,1,0,0|3,0,0]=4 978 B11R1.172 CC(=O)CCSC1CCCC1 62a_100000053229_100000179811 [0,0,0,1,0,0|3,0,0]=4 979 B11R1.172 CC(=O)CCSC1CCCC1 62a_100011217020_100000053229 [0,0,0,1,0,0|3,0,0]=4 980 B11R1.172 CC(=O)COCC1CCCC1 34a_100000211253_100000740388 [0,0,0,1,0,0|3,0,0]=4 981 B11R1.172 CC(=O)COCC1CCCO1 1458a_100011223388_200000210301 [0,0,0,1,0,0|2,1,0]=4 982 B11R1.172 CC(=O)CSCC1CCCO1 1458a_100000217298_200000210301 [0,0,0,1,0,0|2,1,0]=4 983 B11R1.172 CC(=O)NCCC1CCCC1 11a_100000739158_100015343762 [0,0,0,1,0,0|2,0,0]=3 984 B11R1.172 CC(=O)NCCC1CCCC1 1626a_100000739158_100015343762 [0,0,0,1,0,0|2,0,0]=3 985 B11R1.172 CC(=O)NCCC1CCCC1 240690a_100000739158_100015343762 [0,0,0,1,0,0|2,0,0]=3 986 B11R1.172 CC(=O)NCCC1CCCC1 527a_100000739158_100103153847 [0,0,0,1,0,0|2,0,0]=3 987 B11R1.172 CC(=O)NCCC1OCCO1 11a_100000034215_100015343762 [0,0,0,1,0,0|2,1,0]=4 988 B11R1.172 CC(=O)NCCC1OCCO1 1626a_100000034215_100015343762 [0,0,0,1,0,0|2,1,0]=4 989 B11R1.172 CC(=O)NCCC1OCCO1 240690a_100000034215_100015343762 [0,0,0,1,0,0|2,1,0]=4 990 B11R1.172 CC(=O)NCCC1OCCO1 527a_100000034215_100103153847 [0,0,0,1,0,0|2,1,0]=4 991 B11R1.172 CC(=O)NCCN1CCCC1 2230a_100000188435_100000189650 [0,0,0,1,0,0|3,0,0]=4 992 B11R1.172 CC(=O)NCCN1CCCC1 240690a_100000212299_100015343762 [0,0,0,1,0,0|3,0,0]=4 993 B11R1.172 CC(=O)NCCN1CCCC1 269982a_100000188435_100000189650 [0,0,0,1,0,0|3,0,0]=4 994 B11R1.172 CC(=O)OCCN1CCCC1 269982a_100000188435_100009814007 [0,0,0,1,0,0|2,0,0]=3 995 B11R1.172 CC(=O)OCCN1CCSC1 269982a_100011215254_100009814007 [0,0,0,1,0,0|3,0,0]=4 996 B11R1.172 CC(=O)OCNC1CCCC1 34a_100000211070_100009813279 [0,0,0,1,0,0|2,0,0]=3 997 B11R1.172 CC(=O)OCN[C@H]1CCOC1 34a_100015188467_100009813279 [0,0,0,1,0,0|3,0,0]=4 998 B11R1.172 CC(=O)OCOC1CCCC1 34a_100000210269_100009813279 [0,0,0,1,0,0|2,0,0]=3 999 B11R1.172 CC(=O)OCOC1CCCO1 34a_100000085407_100009813279 [0,0,0,1,0,0|1,1,0]=3 1000 B11R1.172 CC(=O)OCO[C@H]1CCOC1 34a_100000717292_100009813279 [0,0,0,1,0,0|3,0,0]=4 1001 B11R1.172 CC(=O)OCSC1CCCC1 62a_100000076356_100000179811 [0,0,0,1,0,0|2,0,0]=3 1002 B11R1.172 CC(=O)OCSC1CCCC1 62a_100011217020_100000076356 [0,0,0,1,0,0|2,0,0]=3 1003 B11R1.172 CC(=O)OCSC1CCOC1 62a_100000076356_100000690089 [0,0,0,1,0,0|3,0,0]=4 1004 B11R1.172 CC(C)OCCC1CCCC1 34a_100000212225_100000760354 [0,0,0,1,0,0|2,0,1]=4 1005 B11R1.172 CC(C)OCCC1CCCC1 34a_100000749090_100000210206 [0,0,0,1,0,0|2,0,1]=4 1006 B11R1.172 CC(C)OCCC1CCCC1 7a_100000749090_100000210206 [0,0,0,1,0,0|2,0,1]=4 1007 B11R1.172 NC(=O)OCCN1CCCC1 269982a_100000188435_200011214921 [0,0,0,1,0,0|3,0,0]=4 1008 B11R1.172 [13CH3]C(=O)CCCN1CCCC1 1458a_100000743284_200025704644 [0,0,0,1,0,0|3,0,0]=4 1009 B11R1.172 [13CH3]C(=O)COCC1CCCO1 1458a_100011223388_200025704644 [0,0,0,1,0,0|2,1,0]=4 1010 B11R1.172 [13CH3]C(=O)CSCC1CCCO1 1458a_100000217298_200025704644 [0,0,0,1,0,0|2,1,0]=4 1011 B11R1.201 CCCC(=O)CC1CC(=O)C1 1458a_100000211992_100009874392 [0,0,0,1,0,0|1,1,1]=4 1012 B11R1.201 CCCC(C)SC1CC(=O)C1 62a_100009894365_100000766640 [0,0,0,1,0,0|3,0,0]=4 1013 B11R1.201 CCCN(C)CC1CC(=O)C1 2230a_100000747261_100009874392 [0,0,0,1,0,0|3,0,0]=4 1014 B11R1.201 CCCN(C)CC1CC(=O)C1 269982a_100000747261_100009874392 [0,0,0,1,0,0|3,0,0]=4 1015 B11R1.290 CCCC(C)CCOC1CC1 34a_100011217855_100000211595 [0,0,0,1,0,0|2,0,1]=4 1016 B11R1.290 CCC[C@H](N)CCOC1CC1 34a_100015193777_100000211595 [0,0,0,1,0,0|2,0,1]=4 1017 B11R1.565 CC(=O)N1CCCC(CC1)C 11a_100025706717_100015343762 [0,0,0,1,0,0|2,0,0]=3 1018 B11R1.565 CC(=O)N1CCCC(CC1)C 1626a_100025706717_100015343762 [0,0,0,1,0,0|2,0,0]=3 1019 B11R1.565 CC(=O)N1CCCC(CC1)C 240690a_100025706717_100015343762 [0,0,0,1,0,0|2,0,0]=3 1020 B11R1.565 CC(=O)N1CCCC(CC1)C 527a_100025706717_100103153847 [0,0,0,1,0,0|2,0,0]=3 1021 B11R1.565 CC(=O)N1CCCC(CC1)O 240690a_100015186869_100015343762 [0,0,0,1,0,0|1,1,0]=3 1022 B11R1.565 CC(=O)N1CCCC(CC1)O 527a_100015186869_100103153847 [0,0,0,1,0,0|1,1,0]=3 1023 B11R1.565 CC(=O)N1CCCN(CC1)C 2230a_100000233754_200000210301 [0,0,0,1,0,0|3,0,0]=4 1024 B11R1.565 CC(=O)N1CCCN(CC1)C 240690a_100000211313_100015343762 [0,0,0,1,0,0|3,0,0]=4 1025 B11R1.565 CC(=O)N1CCCN(CC1)C 269982a_100000233754_200000210301 [0,0,0,1,0,0|3,0,0]=4 1026 B11R1.565 CC(=O)N1CCCN(CC1)[13CH3] 2230a_100000233754_200025704644 [0,0,0,1,0,0|3,0,0]=4 1027 B11R1.565 CC(=O)N1CCCN(CC1)[13CH3] 269982a_100000233754_200025704644 [0,0,0,1,0,0|3,0,0]=4 1028 B11R1.720 CC(=O)CCCC(=O)C1CC1 1458a_100000210395_100011215641 [0,0,0,1,0,0|1,1,1]=4 1029 B11R1.720 CC(=O)CCCN(C)C1CC1 269982a_100000226674_100011215641 [0,0,0,1,0,0|3,0,0]=4 1030 B11R1.720 CC(=O)CCOC(C)C1CC1 7a_100000744524_100000053229 [0,0,0,1,0,0|3,0,0]=4 1031 B11R1.720 CC(=O)NCCC(=O)C1CC1 1458a_100000210395_100000189650 [0,0,0,1,0,0|1,1,1]=4 1032 B11R1.720 CC(=O)NCCN(C)C1CC1 2230a_100000226674_100000189650 [0,0,0,1,0,0|3,0,0]=4 1033 B11R1.720 CC(=O)NCCN(C)C1CC1 269982a_100000226674_100000189650 [0,0,0,1,0,0|3,0,0]=4 1034 B11R1.720 CC(=O)OCCC(=O)C1CC1 1458a_100000210395_100009814007 [0,0,0,1,0,0|0,1,1]=3 1035 B11R1.720 CC(=O)OCCC(=O)C1CO1 1458a_100000701028_100009814007 [0,0,0,1,0,0|1,1,1]=4 1036 B11R1.720 CC(=O)OCCN(C)C1CC1 269982a_100000226674_100009814007 [0,0,0,1,0,0|2,0,0]=3 1037 B11R1.720 CC(=O)OCNC(C)C1CC1 34a_100000700016_100009813279 [0,0,0,1,0,0|2,0,0]=3 1038 B11R1.720 CC(=O)OCOC(C)C1CC1 34a_100000744524_100009813279 [0,0,0,1,0,0|2,0,0]=3 1039 B11R1.720 CN(CCOC(=O)N)C1CC1 269982a_100000226674_200011214921 [0,0,0,1,0,0|3,0,0]=4 1040 B11R1.720 NC(=O)OCCC(=O)C1CC1 1458a_100000210395_200011214921 [0,0,0,1,0,0|1,1,1]=4 1041 B11R1.924 CC(=O)CCOC1(CCC1)C 7a_100000759064_100000053229 [0,0,0,1,0,0|3,0,0]=4 1042 B11R1.924 CC(=O)COCC1(CCC1)C 34a_100000211253_100000726658 [0,0,0,1,0,0|3,0,0]=4 1043 B11R1.924 CC(=O)OCNC1(CCC1)C 34a_100000692455_100009813279 [0,0,0,1,0,0|2,0,0]=3 1044 B11R1.924 CC(=O)OCOC1(CCC1)C 34a_100000759064_100009813279 [0,0,0,1,0,0|2,0,0]=3 1045 B9R0.48 C=C(C)CCC(=O)CCC 1458a_100000211992_100000730704 [0,0,0,0,1,0|1,1,1]=4 1046 B9R0.48 C=C(C)CCC(=O)CCC 1458a_200000688413_100000210303 [0,0,0,0,1,0|1,1,1]=4 1047 B9R0.48 C=C(C)CCC(C)NCC 270004a_100015525214_100011215600 [0,0,0,0,1,0|3,0,0]=4 1048 B9R0.48 C=C(C)CCN(C)CCC 2230a_100000747261_100000730704 [0,0,0,0,1,0|3,0,0]=4 1049 B9R0.48 C=C(C)CCN(C)CCC 269982a_100000747261_100000730704 [0,0,0,0,1,0|3,0,0]=4 1050 B9R0.48 C=C(C)CNC(C)CCC 2230a_100000741246_100000748629 [0,0,0,0,1,0|3,0,0]=4 1051 B9R0.48 C=C(C)COC(C)CCC 34a_100000210245_100000766640 [0,0,0,0,1,0|3,0,0]=4 1052 B9R0.48 C=C(C)COC(C)CCC 34a_100000764384_100000748629 [0,0,0,0,1,0|3,0,0]=4 1053 B9R0.48 C=C(C)COC(C)CCC 7a_100000764384_100000748629 [0,0,0,0,1,0|3,0,0]=4 1054 B9R0.48 C=C(C)CSC(C)CCC 62a_100000748629_100000766640 [0,0,0,0,1,0|3,0,0]=4 1055 B9R0.48 C=C(C)CSC(C)CCC 62a_100000766640_100000211660 [0,0,0,0,1,0|3,0,0]=4 1056 B9R0.48 CC(=O)CCN(C)CCO 269982a_100000210263_100000053229 [0,0,0,0,1,0|3,0,0]=4 1057 B9R0.48 CC(=O)COC(C)CCO 34a_100000211253_100009893172 [0,0,0,0,1,0|3,0,0]=4 1058 B9R0.48 CC(=O)OCC(=O)CCF 1458a_100000183556_100011217306 [0,0,0,0,1,0|1,1,1]=4 1059 B9R0.48 CC(=O)OCC(=O)CCO 1458a_100000183556_100000211926 [0,0,0,0,1,0|1,1,1]=4 1060 B9R0.48 CC(=O)OCC(=O)CS[13CH3] 62a_100000036994_200025704644 [0,0,0,0,1,0|1,1,1]=4 1061 B9R0.48 CC(=O)OCC(=O)CS[13CH3] 62a_200025704644_100000036994 [0,0,0,0,1,0|1,1,1]=4 1062 B9R0.48 CC(=O)OCC(O)CS[13CH3] 62a_200000139349_200025704644 [0,0,0,0,1,0|1,1,0]=3 1063 B9R0.48 CC(=O)OCC(O)CS[13CH3] 62a_200025704644_200000139349 [0,0,0,0,1,0|1,1,0]=3 1064 B9R0.48 CC(=O)OCN(C)CCO 269982a_100000210263_100000076356 [0,0,0,0,1,0|3,0,0]=4 1065 B9R0.48 CC(=O)SCC(C)CS[13CH3] 62a_200000116872_200025704644 [0,0,0,0,1,0|2,1,0]=4 1066 B9R0.48 CC(=O)SCC(C)CS[13CH3] 62a_200025704644_200000116872 [0,0,0,0,1,0|2,1,0]=4 1067 B9R0.48 CCCC(=O)CCC(=O)N 1458a_100011215257_100000210303 [0,0,0,0,1,0|1,1,1]=4 1068 B9R0.48 CCCC(=O)CNC(=O)C 1458a_100000194580_100000210303 [0,0,0,0,1,0|1,1,1]=4 1069 B9R0.48 CCCC(=O)COC(=O)C 1458a_100000183556_100000210303 [0,0,0,0,1,0|0,1,1]=3 1070 B9R0.48 CCCC(=O)CSC(=O)C 1458a_100000049016_100000210303 [0,0,0,0,1,0|0,2,1]=4 1071 B9R0.48 CCCC(=O)OCC(=O)C 1458a_100000070787_100000034017 [0,0,0,0,1,0|1,1,1]=4 1072 B9R0.48 CCCC(C)COC(C)C 34a_100000212225_100011216630 [0,0,0,0,1,0|2,0,1]=4 1073 B9R0.48 CCCC(C)COC(C)C 34a_100000688023_100000210206 [0,0,0,0,1,0|2,0,1]=4 1074 B9R0.48 CCCC(C)COC(C)C 7a_100000688023_100000210206 [0,0,0,0,1,0|2,0,1]=4 1075 B9R0.48 CCCC(C)NCC(=O)N 2230a_100000711301_100000766640 [0,0,0,0,1,0|3,0,0]=4 1076 B9R0.48 CCCC(C)NCC(=O)N 2230a_100000741246_100000747473 [0,0,0,0,1,0|3,0,0]=4 1077 B9R0.48 CCCC(C)NCC(=O)O 269956a_100016091260_100000766640 [0,0,0,0,1,0|3,0,0]=4 1078 B9R0.48 CCCC(C)OCC(=O)C 34a_100000211253_100000766640 [0,0,0,0,1,0|2,0,0]=3 1079 B9R0.48 CCCC(C)OCC(=O)N 34a_100000764384_100000187820 [0,0,0,0,1,0|3,0,0]=4 1080 B9R0.48 CCCC(C)OCC(=O)N 7a_100000764384_100000187820 [0,0,0,0,1,0|3,0,0]=4 1081 B9R0.48 CCCC(C)OCC(=O)[O-] 34a_100000764384_100020667443 [0,0,0,0,1,0|3,0,0]=4 1082 B9R0.48 CCCC(C)SCC(=O)N 62a_100000747473_100000766640 [0,0,0,0,1,0|3,0,0]=4 1083 B9R0.48 CCCC(C)SCC(=O)N 62a_100000766640_100000747473 [0,0,0,0,1,0|3,0,0]=4 1084 B9R0.48 CCCC(C)SCC(=O)[O-] 62a_100000766640_100020667443 [0,0,0,0,1,0|3,0,0]=4 1085 B9R0.48 CCCC(C)SCC(=O)[O-] 62a_100020667443_100000766640 [0,0,0,0,1,0|3,0,0]=4 1086 B9R0.48 CCCN(C)CCC(=O)C 269982a_100000747261_100000053229 [0,0,0,0,1,0|2,0,0]=3 1087 B9R0.48 CCCN(C)CCC(=O)N 2230a_100000730477_100000210303 [0,0,0,0,1,0|3,0,0]=4 1088 B9R0.48 CCCN(C)CCC(=O)N 2230a_100000747261_100000744528 [0,0,0,0,1,0|3,0,0]=4 1089 B9R0.48 CCCN(C)CCC(=O)N 269982a_100000747261_100000744528 [0,0,0,0,1,0|3,0,0]=4 1090 B9R0.48 CCCN(C)COC(=O)C 269982a_100000747261_100000076356 [0,0,0,0,1,0|2,0,0]=3 1091 B9R0.48 CCC[C@H](N)COC(C)C 34a_100000732646_100000210206 [0,0,0,0,1,0|2,0,1]=4 1092 B9R0.48 CCNC(=O)CCC(=O)C 1458a_100000199579_200000210301 [0,0,0,0,1,0|1,1,1]=4 1093 B9R0.48 CCNC(=O)CCC(=O)[13CH3] 1458a_100000199579_200025704644 [0,0,0,0,1,0|1,1,1]=4 1094 B9R0.48 CCNC(=O)COC(=O)C 240690a_100015525214_100000183556 [0,0,0,0,1,0|1,1,1]=4 1095 B9R0.48 CCNC(=O)COC(=O)C 527a_100015525214_100000183556 [0,0,0,0,1,0|1,1,1]=4 1096 B9R0.48 CCNC(C)COC(=O)C 270004a_100015525214_100000000629 [0,0,0,0,1,0|2,0,0]=3 1097 B9R0.48 CCOC(=O)CCC(=O)C 1458a_100000183558_200000210301 [0,0,0,0,1,0|1,1,1]=4 1098 B9R0.48 CCOC(=O)CCC(=O)[13CH3] 1458a_100000183558_200025704644 [0,0,0,0,1,0|1,1,1]=4 1099 B9R0.48 CNCC(=O)COC(=O)C 34a_100102657272_100000036994 [0,0,0,0,1,0|1,1,1]=4 1100 B9R0.48 CNCC(C)CSC(=O)C 2230a_106832991635_200000116872 [0,0,0,0,1,0|2,1,0]=4 1101 B9R0.48 CNCC(C)CSC(=O)C 34a_100102657272_200000116872 [0,0,0,0,1,0|2,1,0]=4 1102 B9R0.48 CNCC(C)CSC(=O)C 7a_106832991635_200000116872 [0,0,0,0,1,0|2,1,0]=4 1103 B9R0.48 CNCC(O)COC(=O)C 34a_100102657272_200000139349 [0,0,0,0,1,0|1,1,0]=3 1104 B9R0.48 CNCC(O)COC(=O)C 7a_106832991635_200000139349 [0,0,0,0,1,0|1,1,0]=3 1105 B9R0.48 COCC(=O)COC(=O)C 34a_100138415774_100000036994 [0,0,0,0,1,0|1,1,1]=4 1106 B9R0.48 COCC(C)CSC(=O)C 34a_100138415774_200000116872 [0,0,0,0,1,0|2,1,0]=4 1107 B9R0.48 COCC(C)OCC(=O)C 34a_100000211253_100000765312 [0,0,0,0,1,0|3,0,0]=4 1108 B9R0.48 COCC(O)CNC(=O)C 240690a_100000756049_100015343762 [0,0,0,0,1,0|2,1,0]=4 1109 B9R0.48 COCC(O)CNC(=O)C 527a_100000756049_100103153847 [0,0,0,0,1,0|2,1,0]=4 1110 B9R0.48 COCC(O)COC(=O)C 34a_100138415774_200000139349 [0,0,0,0,1,0|1,1,0]=3 1111 B9R0.48 CSCC(=O)COC(=O)C 62a_100000036994_200000210301 [0,0,0,0,1,0|1,1,1]=4 1112 B9R0.48 CSCC(=O)COC(=O)C 62a_200000210301_100000036994 [0,0,0,0,1,0|1,1,1]=4 1113 B9R0.48 CSCC(C)CSC(=O)C 62a_200000116872_200000210301 [0,0,0,0,1,0|2,1,0]=4 1114 B9R0.48 CSCC(C)CSC(=O)C 62a_200000210301_200000116872 [0,0,0,0,1,0|2,1,0]=4 1115 B9R0.48 CSCC(O)COC(=O)C 62a_200000139349_200000210301 [0,0,0,0,1,0|1,1,0]=3 1116 B9R0.48 CSCC(O)COC(=O)C 62a_200000210301_200000139349 [0,0,0,0,1,0|1,1,0]=3 1117 B11R0.176 C#CCC(C)OCCOC(=O)C 34a_100000685586_100009814007 [0,0,0,0,0,1|1,0,2]=4 1118 B11R0.176 C#CCC(C)OCCOC(=O)C 7a_100000685586_100009814007 [0,0,0,0,0,1|1,0,2]=4 1119 B11R0.176 C/C=C/C(C)OCCOC(=O)C 34a_200102604097_100009814007 [0,0,0,0,0,1|1,0,2]=4 1120 B11R0.176 C=C(C)CCOCC(C)CCC 34a_100000688023_100000730704 [0,0,0,0,0,1|3,0,0]=4 1121 B11R0.176 C=C(C)CCOCC(C)CCC 34a_100000764851_100011216630 [0,0,0,0,0,1|3,0,0]=4 1122 B11R0.176 C=C(C)CCOCC(C)CCC 7a_100000688023_100000730704 [0,0,0,0,0,1|3,0,0]=4 1123 B11R0.176 C=C(C)CCOC[C@@H](N)CCC 34a_100000732646_100000730704 [0,0,0,0,0,1|3,0,0]=4 1124 B11R0.176 C=C(C)CCSCC(C)CCC 62a_100000730704_100011216630 [0,0,0,0,0,1|3,0,0]=4 1125 B11R0.176 C=C(C)CCSCC(C)CCC 62a_100011216630_100000730704 [0,0,0,0,0,1|3,0,0]=4 1126 B11R0.176 C=C(C)COCCC(C)CCC 34a_100011217855_100000748629 [0,0,0,0,0,1|2,0,0]=3 1127 B11R0.176 C=C(C)COCCC(C)CCC 7a_100011217855_100000748629 [0,0,0,0,0,1|2,0,0]=3 1128 B11R0.176 C=C(C)COCC[C@@H](N)CCC 34a_100015193777_100000748629 [0,0,0,0,0,1|2,0,0]=3 1129 B11R0.176 C=C(F)COCCC(C)CCC 34a_100011217855_100009893438 [0,0,0,0,0,1|2,0,1]=4 1130 B11R0.176 C=C(F)COCCC(C)CCC 7a_100011217855_100000042424 [0,0,0,0,0,1|2,0,1]=4 1131 B11R0.176 C=C(F)COCC[C@@H](N)CCC 34a_100015193777_100009893438 [0,0,0,0,0,1|2,0,1]=4 1132 B11R0.176 C=CCC(C)COCOC(=O)C 34a_100009832082_100009813279 [0,0,0,0,0,1|1,0,2]=4 1133 B11R0.176 C=CC[C@@H](C)OCCOC(=O)C 34a_100000731007_100009814007 [0,0,0,0,0,1|1,0,2]=4 1134 B11R0.176 C=CC[C@@H](C)OCCOC(=O)C 7a_100000731007_100009814007 [0,0,0,0,0,1|1,0,2]=4 1135 B11R0.176 C=CC[C@@H](N)COCOC(=O)C 34a_100020615467_100009813279 [0,0,0,0,0,1|1,0,2]=4 1136 B11R0.176 CC#CC(C)OCCOC(=O)C 34a_100011216543_100009814007 [0,0,0,0,0,1|1,0,2]=4 1137 B11R0.176 CC(=O)CCCN[C@H](C)CCO 34a_100000706166_100000685027 [0,0,0,0,0,1|3,0,0]=4 1138 B11R0.176 CC(=O)CCCOC(C)CCBr 34a_100012276601_100000685027 [0,0,0,0,0,1|3,0,0]=4 1139 B11R0.176 CC(=O)CCCOC(C)CCO 34a_100000759063_100009893172 [0,0,0,0,0,1|3,0,0]=4 1140 B11R0.176 CC(=O)CCCOC(C)CCO 7a_100000759063_100009893172 [0,0,0,0,0,1|3,0,0]=4 1141 B11R0.176 CC(=O)CCCSC(C)CCO 62a_100009893172_100011215641 [0,0,0,0,0,1|3,0,0]=4 1142 B11R0.176 CC(=O)CCCSC(C)CCO 62a_100011215641_100009893172 [0,0,0,0,0,1|3,0,0]=4 1143 B11R0.176 CC(=O)NCCNC(C)CCO 2230a_100000209853_100009893172 [0,0,0,0,0,1|3,0,0]=4 1144 B11R0.176 CC(=O)NCCN[C@H](C)CCO 2230a_100000706166_100000189650 [0,0,0,0,0,1|3,0,0]=4 1145 B11R0.176 CC(=O)NCCOC(C)CCO 34a_100000158858_100009893172 [0,0,0,0,0,1|3,0,0]=4 1146 B11R0.176 CC(=O)NCCSC(C)CCO 62a_100000189650_100009893172 [0,0,0,0,0,1|3,0,0]=4 1147 B11R0.176 CC(=O)NCCSC(C)CCO 62a_100009893172_100000189650 [0,0,0,0,0,1|3,0,0]=4 1148 B11R0.176 CC(=O)OCCCC(=O)CCO 1458a_100011216618_100000042594 [0,0,0,0,0,1|1,1,1]=4 1149 B11R0.176 CC(=O)OCCCN(C)CCO 269982a_100000210263_100000042594 [0,0,0,0,0,1|3,0,0]=4 1150 B11R0.176 CC(=O)OCCNC(=O)CCO 240690a_100000724843_100011216618 [0,0,0,0,0,1|1,1,1]=4 1151 B11R0.176 CC(=O)OCCN[C@H](C)CCO 34a_100000706166_100009814007 [0,0,0,0,0,1|2,0,0]=3 1152 B11R0.176 CC(=O)OCCOC(C)CCBr 34a_100012276601_100009814007 [0,0,0,0,0,1|2,0,0]=3 1153 B11R0.176 CC(=O)OCCSC(C)CC#N 62a_100009813641_100009814007 [0,0,0,0,0,1|2,0,1]=4 1154 B11R0.176 CC(=O)OCCSC(C)CC#N 62a_100009814007_100009813641 [0,0,0,0,0,1|2,0,1]=4 1155 B11R0.176 CC(=O)OCCSC(C)CCO 62a_100009814007_100009893172 [0,0,0,0,0,1|2,0,0]=3 1156 B11R0.176 CC(=O)OCCSC(C)CCO 62a_100009893172_100009814007 [0,0,0,0,0,1|2,0,0]=3 1157 B11R0.176 CC(=O)OCOCC(C)CCN 34a_106354213184_100009813279 [0,0,0,0,0,1|2,0,0]=3 1158 B11R0.176 CC(=O)OCSC[C@@H](O)CC#N 62a_100000001066_100000076356 [0,0,0,0,0,1|1,1,1]=4 1159 B11R0.176 CC(=O)OCSC[C@@H](O)CC#N 62a_100000076356_100000001066 [0,0,0,0,0,1|1,1,1]=4 1160 B11R0.176 CC(CCBr)OCCOC(=O)N 34a_100012276601_200011214921 [0,0,0,0,0,1|3,0,0]=4 1161 B11R0.176 CC(CCO)OCCOC(=O)N 7a_100000766696_100009893172 [0,0,0,0,0,1|3,0,0]=4 1162 B11R0.176 CC(CCO)SCCOC(=O)N 62a_100009893172_200011214921 [0,0,0,0,0,1|3,0,0]=4 1163 B11R0.176 CC(CCO)SCCOC(=O)N 62a_200011214921_100009893172 [0,0,0,0,0,1|3,0,0]=4 1164 B11R0.176 CCCC(=O)CCCCC(=O)C 1458a_100000211992_100000735457 [0,0,0,0,0,1|1,1,1]=4 1165 B11R0.176 CCCC(=O)CCCNC(=O)C 1458a_100000194741_100000210303 [0,0,0,0,0,1|1,1,1]=4 1166 B11R0.176 CCCC(=O)CCCOC(=O)C 1458a_100000211992_100000042594 [0,0,0,0,0,1|0,1,1]=3 1167 B11R0.176 CCCC(=O)CCCOC(=S)C 1458a_100000211992_200135323944 [0,0,0,0,0,1|0,2,1]=4 1168 B11R0.176 CCCC(=O)CCCSC(=O)C 1458a_100000211992_100000038929 [0,0,0,0,0,1|0,2,1]=4 1169 B11R0.176 CCCC(=O)CCOCC(=O)N 1458a_100000211992_100000076697 [0,0,0,0,0,1|1,1,1]=4 1170 B11R0.176 CCCC(=O)COCCC(=O)C 7a_100000759926_100000747444 [0,0,0,0,0,1|1,1,1]=4 1171 B11R0.176 CCCC(=O)CSCCC(=O)C 62a_100000053229_100000747444 [0,0,0,0,0,1|1,1,1]=4 1172 B11R0.176 CCCC(=O)CSCCC(=O)C 62a_100000747444_100000053229 [0,0,0,0,0,1|1,1,1]=4 1173 B11R0.176 CCCC(=O)CSCOC(=O)C 62a_100000076356_100000747444 [0,0,0,0,0,1|0,1,1]=3 1174 B11R0.176 CCCC(=O)CSCOC(=O)C 62a_100000747444_100000076356 [0,0,0,0,0,1|0,1,1]=3 1175 B11R0.176 CCCC(=O)NCCNC(=O)C 240690a_100000209853_100000211992 [0,0,0,0,0,1|1,1,1]=4 1176 B11R0.176 CCCC(=O)NCCNC(=O)C 527a_100000209853_100000211992 [0,0,0,0,0,1|1,1,1]=4 1177 B11R0.176 CCCC(=O)NCCOC(=O)C 11a_100000724843_100000211992 [0,0,0,0,0,1|0,1,1]=3 1178 B11R0.176 CCCC(=O)NCCOC(=O)C 240690a_100000724843_100000211992 [0,0,0,0,0,1|0,1,1]=3 1179 B11R0.176 CCCC(=O)NCCOC(=O)C 527a_100000724843_100000211992 [0,0,0,0,0,1|0,1,1]=3 1180 B11R0.176 CCCC(=O)NCCSC(=O)C 11a_100020647217_100000211992 [0,0,0,0,0,1|0,2,1]=4 1181 B11R0.176 CCCC(=O)NCCSC(=O)C 240690a_100020647217_100000211992 [0,0,0,0,0,1|0,2,1]=4 1182 B11R0.176 CCCC(=O)NCCSC(=O)C 527a_100020647217_100000211992 [0,0,0,0,0,1|0,2,1]=4 1183 B11R0.176 CCCC(=O)OCOCC(=O)C 34a_100000211253_100000034017 [0,0,0,0,0,1|1,1,1]=4 1184 B11R0.176 CCCC(C)CCCOC(C)C 34a_100011713154_100000210206 [0,0,0,0,0,1|2,0,1]=4 1185 B11R0.176 CCCC(C)CCCOC(C)C 7a_100011713154_100000210206 [0,0,0,0,0,1|2,0,1]=4 1186 B11R0.176 CCCC(C)CCOCC(=O)N 34a_100011217855_100000187820 [0,0,0,0,0,1|2,0,0]=3 1187 B11R0.176 CCCC(C)CCOCC(=O)N 7a_100011217855_100000187820 [0,0,0,0,0,1|2,0,0]=3 1188 B11R0.176 CCCC(C)CCOCC(=O)[O-] 34a_100011217855_100020667443 [0,0,0,0,0,1|2,0,0]=3 1189 B11R0.176 CCCC(C)CCOCC(C)C 34a_100011217855_100000210624 [0,0,0,0,0,1|2,0,1]=4 1190 B11R0.176 CCCC(C)CCOCC(C)C 7a_100011217855_100000210760 [0,0,0,0,0,1|2,0,1]=4 1191 B11R0.176 CCCC(C)CCOCC(C)O 34a_100011217855_100011218427 [0,0,0,0,0,1|1,0,2]=4 1192 B11R0.176 CCCC(C)CCOCC(C)O 7a_100011217855_100011218427 [0,0,0,0,0,1|1,0,2]=4 1193 B11R0.176 CCCC(C)CCOC[C@@H](C)O 34a_100011217855_100009817552 [0,0,0,0,0,1|1,0,2]=4 1194 B11R0.176 CCCC(C)CCOC[C@@H](C)O 7a_100011217855_100009817552 [0,0,0,0,0,1|1,0,2]=4 1195 B11R0.176 CCCC(C)CCOC[N+](=O)[O-] 34a_100011217855_100000761209 [0,0,0,0,0,1|3,0,0]=4 1196 B11R0.176 CCCC(C)CNCC=C(C)C 270004a_100000718196_100000243154 [0,0,0,0,0,1|3,0,0]=4 1197 B11R0.176 CCCC(C)CNCC=C(C)C 34a_100000718196_100011216630 [0,0,0,0,0,1|3,0,0]=4 1198 B11R0.176 CCCC(C)CNOCC(=O)O 269956a_100000106656_100011216630 [0,0,0,0,0,1|3,0,0]=4 1199 B11R0.176 CCCC(C)COCC=C(C)C 34a_100000688023_100000761012 [0,0,0,0,0,1|3,0,0]=4 1200 B11R0.176 CCCC(C)COCC=C(C)C 34a_100000753907_100011216630 [0,0,0,0,0,1|3,0,0]=4 1201 B11R0.176 CCCC(C)COCC=C(C)C 7a_100000688023_100000761012 [0,0,0,0,0,1|3,0,0]=4 1202 B11R0.176 CCCC(C)COCCC(=O)C 34a_100000759926_100011216630 [0,0,0,0,0,1|2,0,0]=3 1203 B11R0.176 CCCC(C)COCCC(=O)C 7a_100000688023_100000053229 [0,0,0,0,0,1|2,0,0]=3 1204 B11R0.176 CCCC(C)COCCC(=O)C 7a_100000759926_100011216630 [0,0,0,0,0,1|2,0,0]=3 1205 B11R0.176 CCCC(C)COCCC(=O)N 34a_100000688023_100000731001 [0,0,0,0,0,1|3,0,0]=4 1206 B11R0.176 CCCC(C)COCCC(=O)N 34a_100000757172_100011216630 [0,0,0,0,0,1|3,0,0]=4 1207 B11R0.176 CCCC(C)COCCC(=O)N 7a_100000688023_100000744528 [0,0,0,0,0,1|3,0,0]=4 1208 B11R0.176 CCCC(C)COCCC(=O)N 7a_100000757172_100011216630 [0,0,0,0,0,1|3,0,0]=4 1209 B11R0.176 CCCC(C)COCOC(=O)C 34a_100000688023_100009813279 [0,0,0,0,0,1|1,0,0]=2 1210 B11R0.176 CCCC(C)COCOC(C)C 34a_100000688023_100000709892 [0,0,0,0,0,1|2,0,1]=4 1211 B11R0.176 CCCC(C)CSCC=C(C)C 62a_100000761012_100011216630 [0,0,0,0,0,1|3,0,0]=4 1212 B11R0.176 CCCC(C)CSCC=C(C)C 62a_100011216630_100000761012 [0,0,0,0,0,1|3,0,0]=4 1213 B11R0.176 CCCC(C)CSCCC(=O)C 62a_100000053229_100011216630 [0,0,0,0,0,1|2,0,0]=3 1214 B11R0.176 CCCC(C)CSCCC(=O)C 62a_100011216630_100000053229 [0,0,0,0,0,1|2,0,0]=3 1215 B11R0.176 CCCC(C)CSCCC(=O)N 62a_100000744528_100011216630 [0,0,0,0,0,1|3,0,0]=4 1216 B11R0.176 CCCC(C)CSCCC(=O)N 62a_100011216630_100000744528 [0,0,0,0,0,1|3,0,0]=4 1217 B11R0.176 CCCC(C)CSCOC(=O)C 62a_100000076356_100011216630 [0,0,0,0,0,1|1,0,0]=2 1218 B11R0.176 CCCC(C)CSCOC(=O)C 62a_100011216630_100000076356 [0,0,0,0,0,1|1,0,0]=2 1219 B11R0.176 CCCC(C)CSCOC(C)C 62a_100000709892_100011216630 [0,0,0,0,0,1|2,0,1]=4 1220 B11R0.176 CCCC(C)CSCOC(C)C 62a_100011216630_100000709892 [0,0,0,0,0,1|2,0,1]=4 1221 B11R0.176 CCCC(C)NCCC=C(C)C 2230a_100000741246_100011217483 [0,0,0,0,0,1|3,0,0]=4 1222 B11R0.176 CCCC(C)NCCCC(=O)N 34a_100000739312_100000766640 [0,0,0,0,0,1|3,0,0]=4 1223 B11R0.176 CCCC(C)NCCCS(=O)C 2230a_200000753449_100000766640 [0,0,0,0,0,1|3,0,0]=4 1224 B11R0.176 CCCC(C)NCCCS(=O)C 270004a_200000753449_100000211909 [0,0,0,0,0,1|3,0,0]=4 1225 B11R0.176 CCCC(C)NCCNC(=O)C 2230a_100000209853_100000766640 [0,0,0,0,0,1|2,0,0]=3 1226 B11R0.176 CCCC(C)NCCNC(=O)C 2230a_100000741246_100000189650 [0,0,0,0,0,1|2,0,0]=3 1227 B11R0.176 CCCC(C)NCCNC(=O)N 2230a_100000741246_200000034859 [0,0,0,0,0,1|3,0,0]=4 1228 B11R0.176 CCCC(C)NCCNC(=O)N 34a_100020590234_100000766640 [0,0,0,0,0,1|3,0,0]=4 1229 B11R0.176 CCCC(C)NCCOC(C)C 2230a_100000701111_100000766640 [0,0,0,0,0,1|2,0,1]=4 1230 B11R0.176 CCCC(C)NCCOC(C)C 2230a_100000741246_100000211751 [0,0,0,0,0,1|2,0,1]=4 1231 B11R0.176 CCCC(C)NCCOC(C)C 270004a_100000701111_100000211909 [0,0,0,0,0,1|2,0,1]=4 1232 B11R0.176 CCCC(C)NCCOC(C)C 34a_100000701111_100000766640 [0,0,0,0,0,1|2,0,1]=4 1233 B11R0.176 CCCC(C)OCCC=C(C)C 34a_100000764384_100011217483 [0,0,0,0,0,1|3,0,0]=4 1234 B11R0.176 CCCC(C)OCCC=C(C)C 7a_100000764384_100011217483 [0,0,0,0,0,1|3,0,0]=4 1235 B11R0.176 CCCC(C)OCCCC(=O)C 34a_100000759063_100000766640 [0,0,0,0,0,1|2,0,0]=3 1236 B11R0.176 CCCC(C)OCCCC(=O)C 34a_100000764384_100000685027 [0,0,0,0,0,1|2,0,0]=3 1237 B11R0.176 CCCC(C)OCCCC(=O)C 7a_100000759063_100000766640 [0,0,0,0,0,1|2,0,0]=3 1238 B11R0.176 CCCC(C)OCCCC(=O)C 7a_100000764384_100011215641 [0,0,0,0,0,1|2,0,0]=3 1239 B11R0.176 CCCC(C)OCCCC(=O)N 34a_100000764384_100102525003 [0,0,0,0,0,1|3,0,0]=4 1240 B11R0.176 CCCC(C)OCCCC(=O)N 7a_100000764384_100102525003 [0,0,0,0,0,1|3,0,0]=4 1241 B11R0.176 CCCC(C)OCCNC(=O)C 34a_100000158858_100000766640 [0,0,0,0,0,1|2,0,0]=3 1242 B11R0.176 CCCC(C)OCCNC(=O)C 7a_100000764384_100000189650 [0,0,0,0,0,1|2,0,0]=3 1243 B11R0.176 CCCC(C)OCCNC(=O)N 34a_100000181757_100000766640 [0,0,0,0,0,1|3,0,0]=4 1244 B11R0.176 CCCC(C)OCCNC(=O)N 7a_100000764384_200000034859 [0,0,0,0,0,1|3,0,0]=4 1245 B11R0.176 CCCC(C)OCCOC(=O)C 34a_100000764384_100009814007 [0,0,0,0,0,1|1,0,0]=2 1246 B11R0.176 CCCC(C)OCCOC(=O)C 7a_100000764384_100009814007 [0,0,0,0,0,1|1,0,0]=2 1247 B11R0.176 CCCC(C)OCCOC(=O)N 34a_100000764384_200011214921 [0,0,0,0,0,1|2,0,0]=3 1248 B11R0.176 CCCC(C)OCCOC(=O)N 7a_100000764384_200011214921 [0,0,0,0,0,1|2,0,0]=3 1249 B11R0.176 CCCC(C)OCCOC(=O)N 7a_100000766696_100000766640 [0,0,0,0,0,1|2,0,0]=3 1250 B11R0.176 CCCC(C)OCCOC(C)C 34a_100000211219_100000766640 [0,0,0,0,0,1|2,0,1]=4 1251 B11R0.176 CCCC(C)OCCOC(C)C 34a_100000764384_100000211751 [0,0,0,0,0,1|2,0,1]=4 1252 B11R0.176 CCCC(C)OCCOC(C)C 7a_100000211219_100000766640 [0,0,0,0,0,1|2,0,1]=4 1253 B11R0.176 CCCC(C)OCCOC(C)C 7a_100000764384_100000211751 [0,0,0,0,0,1|2,0,1]=4 1254 B11R0.176 CCCC(C)SCCC=C(C)C 62a_100000766640_100011217483 [0,0,0,0,0,1|3,0,0]=4 1255 B11R0.176 CCCC(C)SCCC=C(C)C 62a_100011217483_100000766640 [0,0,0,0,0,1|3,0,0]=4 1256 B11R0.176 CCCC(C)SCCCC(=O)C 62a_100000766640_100011215641 [0,0,0,0,0,1|2,0,0]=3 1257 B11R0.176 CCCC(C)SCCCC(=O)C 62a_100011215641_100000766640 [0,0,0,0,0,1|2,0,0]=3 1258 B11R0.176 CCCC(C)SCCCC(=O)N 62a_100000766640_100102525003 [0,0,0,0,0,1|3,0,0]=4 1259 B11R0.176 CCCC(C)SCCCC(=O)N 62a_100102525003_100000766640 [0,0,0,0,0,1|3,0,0]=4 1260 B11R0.176 CCCC(C)SCCNC(=O)C 62a_100000189650_100000766640 [0,0,0,0,0,1|2,0,0]=3 1261 B11R0.176 CCCC(C)SCCNC(=O)C 62a_100000766640_100000189650 [0,0,0,0,0,1|2,0,0]=3 1262 B11R0.176 CCCC(C)SCCNC(=O)N 62a_100000766640_200000034859 [0,0,0,0,0,1|3,0,0]=4 1263 B11R0.176 CCCC(C)SCCNC(=O)N 62a_200000034859_100000766640 [0,0,0,0,0,1|3,0,0]=4 1264 B11R0.176 CCCC(C)SCCOC(=O)C 62a_100000766640_100009814007 [0,0,0,0,0,1|1,0,0]=2 1265 B11R0.176 CCCC(C)SCCOC(=O)C 62a_100009814007_100000766640 [0,0,0,0,0,1|1,0,0]=2 1266 B11R0.176 CCCC(C)SCCOC(=O)N 62a_100000766640_200011214921 [0,0,0,0,0,1|2,0,0]=3 1267 B11R0.176 CCCC(C)SCCOC(=O)N 62a_200011214921_100000766640 [0,0,0,0,0,1|2,0,0]=3 1268 B11R0.176 CCCC(C)SCCOC(C)C 62a_100000211751_100000766640 [0,0,0,0,0,1|2,0,1]=4 1269 B11R0.176 CCCC(C)SCCOC(C)C 62a_100000766640_100000211751 [0,0,0,0,0,1|2,0,1]=4 1270 B11R0.176 CCCN(C)CCCCC(=O)C 269982a_100000747261_100000735457 [0,0,0,0,0,1|3,0,0]=4 1271 B11R0.176 CCCN(C)CCCOC(=O)C 269982a_100000747261_100000042594 [0,0,0,0,0,1|2,0,0]=3 1272 B11R0.176 CCCN(C)CCCOC(=S)C 2230a_100000747261_200135323944 [0,0,0,0,0,1|2,1,0]=4 1273 B11R0.176 CCCN(C)CCCOC(=S)C 269982a_100000747261_200135323944 [0,0,0,0,0,1|2,1,0]=4 1274 B11R0.176 CCCN(C)CCCSC(=O)C 2230a_100000747261_100000038929 [0,0,0,0,0,1|2,1,0]=4 1275 B11R0.176 CCCN(C)CCCSC(=O)C 269982a_100000747261_100000038929 [0,0,0,0,0,1|2,1,0]=4 1276 B11R0.176 CCCN(C)CCOCC(=O)N 2230a_100000747261_100000076697 [0,0,0,0,0,1|3,0,0]=4 1277 B11R0.176 CCCN(C)CCOCC(=O)N 269982a_100000747261_100000076697 [0,0,0,0,0,1|3,0,0]=4 1278 B11R0.176 CCC[C@H](N)CCOCC(=O)N 34a_100015193777_100000187820 [0,0,0,0,0,1|2,0,0]=3 1279 B11R0.176 CCC[C@H](N)CCOCC(=O)[O-] 34a_100015193777_100020667443 [0,0,0,0,0,1|2,0,0]=3 1280 B11R0.176 CCC[C@H](N)CCOCC(C)C 34a_100015193777_100000210624 [0,0,0,0,0,1|2,0,1]=4 1281 B11R0.176 CCC[C@H](N)CCOCC(C)O 34a_100015193777_100011218427 [0,0,0,0,0,1|1,0,2]=4 1282 B11R0.176 CCC[C@H](N)CCOC[C@@H](C)O 34a_100015193777_100009817552 [0,0,0,0,0,1|1,0,2]=4 1283 B11R0.176 CCC[C@H](N)CCOC[N+](=O)[O-] 34a_100015193777_100000761209 [0,0,0,0,0,1|3,0,0]=4 1284 B11R0.176 CCC[C@H](N)COCC=C(C)C 34a_100000732646_100000761012 [0,0,0,0,0,1|3,0,0]=4 1285 B11R0.176 CCC[C@H](N)COCCC(=O)N 34a_100000732646_100000731001 [0,0,0,0,0,1|3,0,0]=4 1286 B11R0.176 CCC[C@H](N)COCOC(=O)C 34a_100000732646_100009813279 [0,0,0,0,0,1|1,0,0]=2 1287 B11R0.176 CCC[C@H](N)COCOC(C)C 34a_100000732646_100000709892 [0,0,0,0,0,1|2,0,1]=4 1288 B11R0.176 CCNC(=O)CSCOC(=O)C 62a_100000076356_100000183381 [0,0,0,0,0,1|1,1,1]=4 1289 B11R0.176 CCNC(=O)CSCOC(=O)C 62a_100000183381_100000076356 [0,0,0,0,0,1|1,1,1]=4 1290 B11R0.176 CCNC(=O)NCCOC(=O)C 2708a_100015525214_100000724843 [0,0,0,0,0,1|1,1,1]=4 1291 B11R0.176 CCNC(=O)NCCOC(=O)C 273464a_100000724843_100015525214 [0,0,0,0,0,1|1,1,1]=4 1292 B11R0.176 CCNC(=O)NCCOC(=O)C 273464a_100015525214_100000724843 [0,0,0,0,0,1|1,1,1]=4 1293 B11R0.176 CCNC(=O)NCCOC(=O)C 512a_100000724843_100015525214 [0,0,0,0,0,1|1,1,1]=4 1294 B11R0.176 CCNC(=O)NCCOC(=O)C 512a_100015525214_100000724843 [0,0,0,0,0,1|1,1,1]=4 1295 B11R0.176 CCOC(=O)CCOCC(=O)C 34a_100000211253_100000765890 [0,0,0,0,0,1|1,1,1]=4 1296 B11R0.176 CCOC(=O)CSCOC(=O)C 62a_100000076356_100000188475 [0,0,0,0,0,1|1,1,1]=4 1297 B11R0.176 CCOC(=O)CSCOC(=O)C 62a_100000188475_100000076356 [0,0,0,0,0,1|1,1,1]=4 1298 B11R0.176 COCC(=O)CCCOC(=O)C 1458a_100000210968_100000042594 [0,0,0,0,0,1|1,1,1]=4 1299 B11R0.176 COCC(=O)NCCOC(=O)C 11a_100000724843_100000210968 [0,0,0,0,0,1|1,1,1]=4 1300 B11R0.176 COCC(=O)NCCOC(=O)C 240690a_100000724843_100000210968 [0,0,0,0,0,1|1,1,1]=4 1301 B11R0.176 COCC(=O)NCCOC(=O)C 527a_100000724843_100000210968 [0,0,0,0,0,1|1,1,1]=4 1302 B11R0.176 COCC(C)NCCNC(=O)C 2230a_100000209853_100000765312 [0,0,0,0,0,1|3,0,0]=4 1303 B11R0.176 COCC(C)OCCCC(=O)C 34a_100000759063_100000765312 [0,0,0,0,0,1|3,0,0]=4 1304 B11R0.176 COCC(C)OCCCC(=O)C 7a_100000759063_100000765312 [0,0,0,0,0,1|3,0,0]=4 1305 B11R0.176 COCC(C)OCCNC(=O)C 34a_100000158858_100000765312 [0,0,0,0,0,1|3,0,0]=4 1306 B11R0.176 COCC(C)OCCOC(=O)N 7a_100000766696_100000765312 [0,0,0,0,0,1|3,0,0]=4 1307 B11R0.176 COCC(C)SCCCC(=O)C 62a_100000765312_100011215641 [0,0,0,0,0,1|3,0,0]=4 1308 B11R0.176 COCC(C)SCCCC(=O)C 62a_100011215641_100000765312 [0,0,0,0,0,1|3,0,0]=4 1309 B11R0.176 COCC(C)SCCNC(=O)C 62a_100000189650_100000765312 [0,0,0,0,0,1|3,0,0]=4 1310 B11R0.176 COCC(C)SCCNC(=O)C 62a_100000765312_100000189650 [0,0,0,0,0,1|3,0,0]=4 1311 B11R0.176 COCC(C)SCCOC(=O)C 62a_100000765312_100009814007 [0,0,0,0,0,1|2,0,0]=3 1312 B11R0.176 COCC(C)SCCOC(=O)C 62a_100009814007_100000765312 [0,0,0,0,0,1|2,0,0]=3 1313 B11R0.176 COCC(C)SCCOC(=O)N 62a_100000765312_200011214921 [0,0,0,0,0,1|3,0,0]=4 1314 B11R0.176 COCC(C)SCCOC(=O)N 62a_200011214921_100000765312 [0,0,0,0,0,1|3,0,0]=4 1315 B11R0.176 COCC(N)COCOC(=O)C 34a_100000724102_100009813279 [0,0,0,0,0,1|2,0,0]=3 1316 B11R0.176 COCC(O)CNCOC(=O)C 34a_100000756049_100009813279 [0,0,0,0,0,1|1,1,0]=3 1317 B11R0.176 COCC(O)COCCC(=O)C 34a_100000759926_100011215053 [0,0,0,0,0,1|2,1,0]=4 1318 B11R0.176 COCC(O)COCCC(=O)C 7a_100000759926_100011215053 [0,0,0,0,0,1|2,1,0]=4 1319 B11R0.176 COCC(O)CSCCC(=O)C 62a_100000053229_100011215053 [0,0,0,0,0,1|2,1,0]=4 1320 B11R0.176 COCC(O)CSCCC(=O)C 62a_100011215053_100000053229 [0,0,0,0,0,1|2,1,0]=4 1321 B11R0.176 COCC(O)CSCOC(=O)C 62a_100000076356_100011215053 [0,0,0,0,0,1|1,1,0]=3 1322 B11R0.176 COCC(O)CSCOC(=O)C 62a_100011215053_100000076356 [0,0,0,0,0,1|1,1,0]=3 1323 B11R0.176 COC[C@@H](C)NCCNC(=O)C 2230a_100000764878_100000189650 [0,0,0,0,0,1|3,0,0]=4 1324 B11R0.176 COC[C@@H](C)OCCCC(=O)C 34a_100011934205_100000685027 [0,0,0,0,0,1|3,0,0]=4 1325 B11R0.176 COC[C@@H](C)OCCOC(=O)C 34a_100011934205_100009814007 [0,0,0,0,0,1|2,0,0]=3 1326 B11R0.176 COC[C@@H](C)OCCOC(=O)N 34a_100011934205_200011214921 [0,0,0,0,0,1|3,0,0]=4 1327 B11R0.176 CSCC(=O)CCCOC(=O)C 1458a_100000184570_100000042594 [0,0,0,0,0,1|1,1,1]=4 1328 B11R0.176 CSCC(=O)NCCOC(=O)C 11a_100000724843_100000184570 [0,0,0,0,0,1|1,1,1]=4 1329 B11R0.176 CSCC(=O)NCCOC(=O)C 240690a_100000724843_100000184570 [0,0,0,0,0,1|1,1,1]=4 1330 B11R0.176 CSCC(=O)NCCOC(=O)C 527a_100000724843_100000184570 [0,0,0,0,0,1|1,1,1]=4 1331 B11R0.176 C[C@H](CCO)NCCOC(=O)N 34a_100000706166_200011214921 [0,0,0,0,0,1|3,0,0]=4 1332 B8R0.6 CCOCCC(C)CC 7a_100011215188_100000210202 [2,0,0,0,0,0|1,0,1]=4 1333 B8R0.7 C#CCCCCC(=O)C 1458a_100000070787_100010269958 [2,0,0,0,0,0|0,0,2]=4 1334 B8R0.7 C#CCCCCC(=O)C 1458a_100000696528_200000210301 [2,0,0,0,0,0|0,0,2]=4 1335 B8R0.7 C#CCCCCC(=O)[13CH3] 1458a_100000696528_200025704644 [2,0,0,0,0,0|0,0,2]=4 1336 B8R0.7 C=C(C)CCOCCC 34a_100000210258_100000730704 [2,0,0,0,0,0|2,0,0]=4 1337 B8R0.7 C=C(C)CCOCCC 34a_100000764851_100000210303 [2,0,0,0,0,0|2,0,0]=4 1338 B8R0.7 C=C(C)CCSCCC 62a_100000210303_100000730704 [2,0,0,0,0,0|2,0,0]=4 1339 B8R0.7 C=C(C)CCSCCC 62a_100000730704_100000210303 [2,0,0,0,0,0|2,0,0]=4 1340 B8R0.7 C=C(C)CNCCCC 2230a_100000102301_100000748629 [2,0,0,0,0,0|2,0,0]=4 1341 B8R0.7 C=C(C)CNCCCC 7a_106832991798_100000748629 [2,0,0,0,0,0|2,0,0]=4 1342 B8R0.7 C=C(C)COCCCC 34a_100000210227_100000748629 [2,0,0,0,0,0|2,0,0]=4 1343 B8R0.7 C=C(C)COCCCC 34a_100000210245_100000210210 [2,0,0,0,0,0|2,0,0]=4 1344 B8R0.7 C=C(C)COCCCC 7a_100000210227_100000748629 [2,0,0,0,0,0|2,0,0]=4 1345 B8R0.7 C=C(C)CSCCCC 62a_100000210211_100000211660 [2,0,0,0,0,0|2,0,0]=4 1346 B8R0.7 C=C(C)CSCCCC 62a_100000748629_100000210210 [2,0,0,0,0,0|2,0,0]=4 1347 B8R0.7 C=CCCCCC(=O)C 1458a_100000070787_100011215482 [2,0,0,0,0,0|0,0,2]=4 1348 B8R0.7 C=CCCCCC(=O)C 1458a_100011215552_200000210301 [2,0,0,0,0,0|0,0,2]=4 1349 B8R0.7 C=CCCCCC(=O)[13CH3] 1458a_100011215552_200025704644 [2,0,0,0,0,0|0,0,2]=4 1350 B8R0.7 CC(=O)CCCCC#N 1458a_100000070787_100000211819 [2,0,0,0,0,0|1,0,1]=4 1351 B8R0.7 CC(=O)CCCCCF 1458a_100000070787_100000729378 [2,0,0,0,0,0|1,0,0]=3 1352 B8R0.7 CC(=O)CCCCCO 1458a_100000070787_100000746330 [2,0,0,0,0,0|1,0,0]=3 1353 B8R0.7 CC(=O)CCCCCO 1458a_100102619762_200000210301 [2,0,0,0,0,0|1,0,0]=3 1354 B8R0.7 CC(=O)CCCCS[13CH3] 62a_100000735457_200025704644 [2,0,0,0,0,0|1,0,0]=3 1355 B8R0.7 CC(=O)CCCCS[13CH3] 62a_200025704644_100000735457 [2,0,0,0,0,0|1,0,0]=3 1356 B8R0.7 CC(=O)CCCOCF 34a_100000759063_100015361967 [2,0,0,0,0,0|2,0,0]=4 1357 B8R0.7 CC(=O)CCCOCF 7a_100000759063_100015361967 [2,0,0,0,0,0|2,0,0]=4 1358 B8R0.7 CC(=O)CCCSCF 62a_100011215641_100015361967 [2,0,0,0,0,0|2,0,0]=4 1359 B8R0.7 CC(=O)CCCSCF 62a_100015361967_100011215641 [2,0,0,0,0,0|2,0,0]=4 1360 B8R0.7 CC(=O)CCOCCF 34a_100000759926_100011217306 [2,0,0,0,0,0|2,0,0]=4 1361 B8R0.7 CC(=O)CCOCCF 7a_100000759926_100011217306 [2,0,0,0,0,0|2,0,0]=4 1362 B8R0.7 CC(=O)CCOCCO 1458a_100000070787_100011215305 [2,0,0,0,0,0|2,0,0]=4 1363 B8R0.7 CC(=O)CCOCCO 1458a_100011229844_200000210301 [2,0,0,0,0,0|2,0,0]=4 1364 B8R0.7 CC(=O)CCOCCO 34a_100000759926_100000211926 [2,0,0,0,0,0|2,0,0]=4 1365 B8R0.7 CC(=O)CCOCCO 7a_100000759926_100000211926 [2,0,0,0,0,0|2,0,0]=4 1366 B8R0.7 CC(=O)CCSCCF 62a_100000053229_100011217306 [2,0,0,0,0,0|2,0,0]=4 1367 B8R0.7 CC(=O)CCSCCF 62a_100011217306_100000053229 [2,0,0,0,0,0|2,0,0]=4 1368 B8R0.7 CC(=O)CCSCCO 62a_100000053229_100000211926 [2,0,0,0,0,0|2,0,0]=4 1369 B8R0.7 CC(=O)CCSCCO 62a_100000211926_100000053229 [2,0,0,0,0,0|2,0,0]=4 1370 B8R0.7 CC(=O)COCCCF 34a_100000211253_100011934791 [2,0,0,0,0,0|2,0,0]=4 1371 B8R0.7 CC(=O)COCCCO 34a_100000211253_100000230001 [2,0,0,0,0,0|2,0,0]=4 1372 B8R0.7 CC(=O)NCCCCO 240690a_100000750430_100015343762 [2,0,0,0,0,0|2,0,0]=4 1373 B8R0.7 CC(=O)NCCCCO 527a_100000750430_100103153847 [2,0,0,0,0,0|2,0,0]=4 1374 B8R0.7 CC(=O)NCCCN[13CH3] 34a_100000736810_200025704644 [2,0,0,0,0,0|2,0,0]=4 1375 B8R0.7 CC(=O)NCCCO[13CH3] 34a_100000752032_200025704644 [2,0,0,0,0,0|2,0,0]=4 1376 B8R0.7 CC(=O)OCCCS[13CH3] 62a_100000042594_200025704644 [2,0,0,0,0,0|1,0,0]=3 1377 B8R0.7 CC(=O)OCCCS[13CH3] 62a_200025704644_100000042594 [2,0,0,0,0,0|1,0,0]=3 1378 B8R0.7 CC(=O)OCCSCF 62a_100009814007_100015361967 [2,0,0,0,0,0|2,0,0]=4 1379 B8R0.7 CC(=O)OCCSCF 62a_100015361967_100009814007 [2,0,0,0,0,0|2,0,0]=4 1380 B8R0.7 CC(=O)OCNCCF 34a_100000724931_100009813279 [2,0,0,0,0,0|2,0,0]=4 1381 B8R0.7 CC(=O)OCNCCO 34a_100016990907_100009813279 [2,0,0,0,0,0|2,0,0]=4 1382 B8R0.7 CC(=O)OCOCCBr 34a_100000211926_100009813279 [2,0,0,0,0,0|2,0,0]=4 1383 B8R0.7 CC(=O)OCOCCN 34a_100000210304_100009813279 [2,0,0,0,0,0|2,0,0]=4 1384 B8R0.7 CC(=O)OCSCCF 62a_100000076356_100011217306 [2,0,0,0,0,0|2,0,0]=4 1385 B8R0.7 CC(=O)OCSCCF 62a_100011217306_100000076356 [2,0,0,0,0,0|2,0,0]=4 1386 B8R0.7 CC(=O)OCSCCO 62a_100000076356_100000211926 [2,0,0,0,0,0|2,0,0]=4 1387 B8R0.7 CC(=O)OCSCCO 62a_100000211926_100000076356 [2,0,0,0,0,0|2,0,0]=4 1388 B8R0.7 CC(=O)SCCCS[13CH3] 62a_100000038929_200025704644 [2,0,0,0,0,0|1,1,0]=4 1389 B8R0.7 CC(=O)SCCCS[13CH3] 62a_200025704644_100000038929 [2,0,0,0,0,0|1,1,0]=4 1390 B8R0.7 CC(=S)OCCCS[13CH3] 62a_200025704644_200135323944 [2,0,0,0,0,0|1,1,0]=4 1391 B8R0.7 CC(=S)OCCCS[13CH3] 62a_200135323944_200025704644 [2,0,0,0,0,0|1,1,0]=4 1392 B8R0.7 CC/C=C\CCC(=O)C 1458a_100000070787_100015370543 [2,0,0,0,0,0|0,0,2]=4 1393 B8R0.7 CCC/C=C/CC(=O)C 1458a_200016266809_200000210301 [2,0,0,0,0,0|0,0,2]=4 1394 B8R0.7 CCC/C=C/CC(=O)[13CH3] 1458a_200016266809_200025704644 [2,0,0,0,0,0|0,0,2]=4 1395 B8R0.7 CCCCC=CC(=O)C 1458a_100016266645_200000210301 [2,0,0,0,0,0|0,0,2]=4 1396 B8R0.7 CCCCC=CC(=O)[13CH3] 1458a_100016266645_200025704644 [2,0,0,0,0,0|0,0,2]=4 1397 B8R0.7 CCCCCCC(=O)C 1458a_100000070787_100000210757 [2,0,0,0,0,0|0,0,0]=2 1398 B8R0.7 CCCCCCC(=O)C 1458a_100102632555_200000210301 [2,0,0,0,0,0|0,0,0]=2 1399 B8R0.7 CCCCCCC(=O)[13CH3] 1458a_100102632555_200025704644 [2,0,0,0,0,0|0,0,0]=2 1400 B8R0.7 CCCCCCN(C)C 2230a_100102631434_100000210314 [2,0,0,0,0,0|2,0,0]=4 1401 B8R0.7 CCCCCCN(C)C 2230a_106256046315_200000210301 [2,0,0,0,0,0|2,0,0]=4 1402 B8R0.7 CCCCCCN(C)C 269982a_100102631434_100000210757 [2,0,0,0,0,0|2,0,0]=4 1403 B8R0.7 CCCCCCN(C)C 269982a_106256046315_200000210301 [2,0,0,0,0,0|2,0,0]=4 1404 B8R0.7 CCCCCCN(C)[13CH3] 2230a_106256046315_200025704644 [2,0,0,0,0,0|2,0,0]=4 1405 B8R0.7 CCCCCCN(C)[13CH3] 269982a_106256046315_200025704644 [2,0,0,0,0,0|2,0,0]=4 1406 B8R0.7 CCCCCNC(=O)C 11a_100000209983_100015343762 [2,0,0,0,0,0|1,0,0]=3 1407 B8R0.7 CCCCCNC(=O)C 1626a_100000209983_100015343762 [2,0,0,0,0,0|1,0,0]=3 1408 B8R0.7 CCCCCNC(=O)C 240690a_100000209983_100015343762 [2,0,0,0,0,0|1,0,0]=3 1409 B8R0.7 CCCCCNC(=O)C 527a_100000209983_100103153847 [2,0,0,0,0,0|1,0,0]=3 1410 B8R0.7 CCCCCOC(C)C 34a_100000210253_100000210206 [2,0,0,0,0,0|1,0,1]=4 1411 B8R0.7 CCCCCOC(C)C 34a_100000212225_100000718602 [2,0,0,0,0,0|1,0,1]=4 1412 B8R0.7 CCCCCOC(C)C 7a_100000210253_100000210206 [2,0,0,0,0,0|1,0,1]=4 1413 B8R0.7 CCCCNCC(=O)N 2230a_100000102301_100000747473 [2,0,0,0,0,0|2,0,0]=4 1414 B8R0.7 CCCCNCC(=O)N 2230a_100000711301_100000210211 [2,0,0,0,0,0|2,0,0]=4 1415 B8R0.7 CCCCNCC(=O)N 7a_106832991798_100000187820 [2,0,0,0,0,0|2,0,0]=4 1416 B8R0.7 CCCCNCC(=O)O 269956a_100016091260_100000210211 [2,0,0,0,0,0|2,0,0]=4 1417 B8R0.7 CCCCNNC(=O)C 22a_100025702795_100000070787 [2,0,0,0,0,0|2,0,0]=4 1418 B8R0.7 CCCCOCC(=O)C 1458a_100000070787_100011995733 [2,0,0,0,0,0|1,0,0]=3 1419 B8R0.7 CCCCOCC(=O)C 1458a_100000757543_200000210301 [2,0,0,0,0,0|1,0,0]=3 1420 B8R0.7 CCCCOCC(=O)C 34a_100000211253_100000210210 [2,0,0,0,0,0|1,0,0]=3 1421 B8R0.7 CCCCOCC(=O)N 34a_100000210227_100000187820 [2,0,0,0,0,0|2,0,0]=4 1422 B8R0.7 CCCCOCC(=O)N 7a_100000210227_100000187820 [2,0,0,0,0,0|2,0,0]=4 1423 B8R0.7 CCCCOCC(=O)[13CH3] 1458a_100000757543_200025704644 [2,0,0,0,0,0|1,0,0]=3 1424 B8R0.7 CCCCOCC(=O)[O-] 34a_100000210227_100020667443 [2,0,0,0,0,0|2,0,0]=4 1425 B8R0.7 CCCCSCC(=O)C 1458a_100000191162_200000210301 [2,0,0,0,0,0|1,0,0]=3 1426 B8R0.7 CCCCSCC(=O)N 62a_100000210211_100000747473 [2,0,0,0,0,0|2,0,0]=4 1427 B8R0.7 CCCCSCC(=O)N 62a_100000747473_100000210210 [2,0,0,0,0,0|2,0,0]=4 1428 B8R0.7 CCCCSCC(=O)[13CH3] 1458a_100000191162_200025704644 [2,0,0,0,0,0|1,0,0]=3 1429 B8R0.7 CCCCSCC(=O)[O-] 62a_100000210211_100020667443 [2,0,0,0,0,0|2,0,0]=4 1430 B8R0.7 CCCCSCC(=O)[O-] 62a_100020667443_100000210210 [2,0,0,0,0,0|2,0,0]=4 1431 B8R0.7 CCCOCCC(=O)C 1458a_100000070787_100011215938 [2,0,0,0,0,0|1,0,0]=3 1432 B8R0.7 CCCOCCC(=O)C 34a_100000759926_100000210303 [2,0,0,0,0,0|1,0,0]=3 1433 B8R0.7 CCCOCCC(=O)C 7a_100000759926_100000210303 [2,0,0,0,0,0|1,0,0]=3 1434 B8R0.7 CCCOCCC(=O)N 34a_100000210258_100000731001 [2,0,0,0,0,0|2,0,0]=4 1435 B8R0.7 CCCOCCC(=O)N 34a_100000757172_100000210303 [2,0,0,0,0,0|2,0,0]=4 1436 B8R0.7 CCCOCCC(=O)N 7a_100000757172_100000210303 [2,0,0,0,0,0|2,0,0]=4 1437 B8R0.7 CCCOCOC(=O)C 34a_100000210258_100009813279 [2,0,0,0,0,0|1,0,0]=3 1438 B8R0.7 CCCSCCC(=O)C 62a_100000053229_100000210303 [2,0,0,0,0,0|1,0,0]=3 1439 B8R0.7 CCCSCCC(=O)C 62a_100000210303_100000053229 [2,0,0,0,0,0|1,0,0]=3 1440 B8R0.7 CCCSCCC(=O)N 62a_100000210303_100000744528 [2,0,0,0,0,0|2,0,0]=4 1441 B8R0.7 CCCSCCC(=O)N 62a_100000744528_100000210303 [2,0,0,0,0,0|2,0,0]=4 1442 B8R0.7 CCCSCOC(=O)C 62a_100000076356_100000210303 [2,0,0,0,0,0|1,0,0]=3 1443 B8R0.7 CCCSCOC(=O)C 62a_100000210303_100000076356 [2,0,0,0,0,0|1,0,0]=3 1444 B8R0.7 CCNCCCC(=O)N 34a_100000739312_100000210202 [2,0,0,0,0,0|2,0,0]=4 1445 B8R0.7 CCNCCCS(=O)C 2230a_200000753449_100000210202 [2,0,0,0,0,0|2,0,0]=4 1446 B8R0.7 CCNCCNC(=O)C 2230a_100000209853_100000210202 [2,0,0,0,0,0|2,0,0]=4 1447 B8R0.7 CCNCCNC(=O)C 2230a_100015525214_100000189650 [2,0,0,0,0,0|2,0,0]=4 1448 B8R0.7 CCOCCCC(=O)C 1458a_100000070787_100012232248 [2,0,0,0,0,0|1,0,0]=3 1449 B8R0.7 CCOCCCC(=O)C 34a_100000759063_100000210202 [2,0,0,0,0,0|1,0,0]=3 1450 B8R0.7 CCOCCCC(=O)C 34a_100121572206_100000685027 [2,0,0,0,0,0|1,0,0]=3 1451 B8R0.7 CCOCCCC(=O)C 7a_100000759063_100000210202 [2,0,0,0,0,0|1,0,0]=3 1452 B8R0.7 CCOCCCC(=O)N 34a_100121572206_100102525003 [2,0,0,0,0,0|2,0,0]=4 1453 B8R0.7 CCOCCNC(=O)C 11a_100011200944_100015343762 [2,0,0,0,0,0|2,0,0]=4 1454 B8R0.7 CCOCCNC(=O)C 1626a_102516460346_100015343762 [2,0,0,0,0,0|2,0,0]=4 1455 B8R0.7 CCOCCNC(=O)C 240690a_100011200944_100015343762 [2,0,0,0,0,0|2,0,0]=4 1456 B8R0.7 CCOCCNC(=O)C 34a_100000158858_100000210202 [2,0,0,0,0,0|2,0,0]=4 1457 B8R0.7 CCOCCNC(=O)C 527a_100011200944_100103153847 [2,0,0,0,0,0|2,0,0]=4 1458 B8R0.7 CCOCCOC(=O)C 34a_100121572206_100009814007 [2,0,0,0,0,0|1,0,0]=3 1459 B8R0.7 CCOCCOC(=O)N 34a_100121572206_200011214921 [2,0,0,0,0,0|2,0,0]=4 1460 B8R0.7 CCOCCOC(=O)N 7a_100000766696_100000210202 [2,0,0,0,0,0|2,0,0]=4 1461 B8R0.7 CCSCCCC(=O)C 62a_100000210202_100011215641 [2,0,0,0,0,0|1,0,0]=3 1462 B8R0.7 CCSCCCC(=O)C 62a_100011215641_100000210202 [2,0,0,0,0,0|1,0,0]=3 1463 B8R0.7 CCSCCCC(=O)N 62a_100000210202_100102525003 [2,0,0,0,0,0|2,0,0]=4 1464 B8R0.7 CCSCCCC(=O)N 62a_100102525003_100000210202 [2,0,0,0,0,0|2,0,0]=4 1465 B8R0.7 CCSCCNC(=O)C 11a_100000106463_100015343762 [2,0,0,0,0,0|2,0,0]=4 1466 B8R0.7 CCSCCNC(=O)C 1626a_100000106463_100015343762 [2,0,0,0,0,0|2,0,0]=4 1467 B8R0.7 CCSCCNC(=O)C 240690a_100000106463_100015343762 [2,0,0,0,0,0|2,0,0]=4 1468 B8R0.7 CCSCCNC(=O)C 527a_100000106463_100103153847 [2,0,0,0,0,0|2,0,0]=4 1469 B8R0.7 CCSCCNC(=O)C 62a_100000189650_100000210202 [2,0,0,0,0,0|2,0,0]=4 1470 B8R0.7 CCSCCNC(=O)C 62a_100000210202_100000189650 [2,0,0,0,0,0|2,0,0]=4 1471 B8R0.7 CCSCCOC(=O)C 62a_100000210202_100009814007 [2,0,0,0,0,0|1,0,0]=3 1472 B8R0.7 CCSCCOC(=O)C 62a_100009814007_100000210202 [2,0,0,0,0,0|1,0,0]=3 1473 B8R0.7 CCSCCOC(=O)N 62a_100000210202_200011214921 [2,0,0,0,0,0|2,0,0]=4 1474 B8R0.7 CCSCCOC(=O)N 62a_200011214921_100000210202 [2,0,0,0,0,0|2,0,0]=4 1475 B8R0.7 CNCCCCC(=O)C 34a_100102657272_100009817362 [2,0,0,0,0,0|1,0,0]=3 1476 B8R0.7 CNCCCCC(=O)C 7a_106832991635_100000735457 [2,0,0,0,0,0|1,0,0]=3 1477 B8R0.7 CNCCCCC(=O)N 34a_100000696515_200000210301 [2,0,0,0,0,0|2,0,0]=4 1478 B8R0.7 CNCCCNC(=O)C 34a_100000736810_200000210301 [2,0,0,0,0,0|2,0,0]=4 1479 B8R0.7 CNCCCOC(=O)C 34a_100102657272_100000042594 [2,0,0,0,0,0|1,0,0]=3 1480 B8R0.7 CNCCCOC(=O)C 7a_106832991635_100000042594 [2,0,0,0,0,0|1,0,0]=3 1481 B8R0.7 CNCCCOC(=S)C 2230a_106832991635_200135323944 [2,0,0,0,0,0|1,1,0]=4 1482 B8R0.7 CNCCCOC(=S)C 34a_100102657272_200135323944 [2,0,0,0,0,0|1,1,0]=4 1483 B8R0.7 CNCCCOC(=S)C 7a_106832991635_200135323944 [2,0,0,0,0,0|1,1,0]=4 1484 B8R0.7 CNCCCSC(=O)C 2230a_106832991635_100000038929 [2,0,0,0,0,0|1,1,0]=4 1485 B8R0.7 CNCCCSC(=O)C 34a_100102657272_100000038929 [2,0,0,0,0,0|1,1,0]=4 1486 B8R0.7 CNCCCSC(=O)C 7a_106832991635_100000038929 [2,0,0,0,0,0|1,1,0]=4 1487 B8R0.7 COCCCCC(=O)C 1458a_100000070787_100000755781 [2,0,0,0,0,0|1,0,0]=3 1488 B8R0.7 COCCCCC(=O)C 34a_100138415774_100009817362 [2,0,0,0,0,0|1,0,0]=3 1489 B8R0.7 COCCCCC(=O)N 34a_100012022536_200000210301 [2,0,0,0,0,0|2,0,0]=4 1490 B8R0.7 COCCCCC(=O)N 7a_100012022536_200000210301 [2,0,0,0,0,0|2,0,0]=4 1491 B8R0.7 COCCCNC(=O)C 1626a_100150723488_100015343762 [2,0,0,0,0,0|2,0,0]=4 1492 B8R0.7 COCCCNC(=O)C 240690a_100150723488_100015343762 [2,0,0,0,0,0|2,0,0]=4 1493 B8R0.7 COCCCNC(=O)C 34a_100000752032_200000210301 [2,0,0,0,0,0|2,0,0]=4 1494 B8R0.7 COCCCNC(=O)C 527a_100150723488_100103153847 [2,0,0,0,0,0|2,0,0]=4 1495 B8R0.7 COCCCOC(=O)C 34a_100138415774_100000042594 [2,0,0,0,0,0|1,0,0]=3 1496 B8R0.7 COCCCOC(=S)C 34a_100138415774_200135323944 [2,0,0,0,0,0|1,1,0]=4 1497 B8R0.7 COCCCSC(=O)C 34a_100138415774_100000038929 [2,0,0,0,0,0|1,1,0]=4 1498 B8R0.7 COCCOCC(=O)C 1458a_100000211095_200000210301 [2,0,0,0,0,0|2,0,0]=4 1499 B8R0.7 COCCOCC(=O)C 34a_100000211253_100011201679 [2,0,0,0,0,0|2,0,0]=4 1500 B8R0.7 COCCOCC(=O)[13CH3] 1458a_100000211095_200025704644 [2,0,0,0,0,0|2,0,0]=4 1501 B8R0.7 COCSCCC(=O)C 62a_100000053229_100000766300 [2,0,0,0,0,0|2,0,0]=4 1502 B8R0.7 COCSCCC(=O)C 62a_100000766300_100000053229 [2,0,0,0,0,0|2,0,0]=4 1503 B8R0.7 COCSCOC(=O)C 62a_100000076356_100000766300 [2,0,0,0,0,0|2,0,0]=4 1504 B8R0.7 COCSCOC(=O)C 62a_100000766300_100000076356 [2,0,0,0,0,0|2,0,0]=4 1505 B8R0.7 CSCCCCC(=O)C 62a_100000735457_200000210301 [2,0,0,0,0,0|1,0,0]=3 1506 B8R0.7 CSCCCCC(=O)C 62a_200000210301_100000735457 [2,0,0,0,0,0|1,0,0]=3 1507 B8R0.7 CSCCCNC(=O)C 11a_100000749238_100015343762 [2,0,0,0,0,0|2,0,0]=4 1508 B8R0.7 CSCCCNC(=O)C 1626a_100000749238_100015343762 [2,0,0,0,0,0|2,0,0]=4 1509 B8R0.7 CSCCCNC(=O)C 240690a_100000749238_100015343762 [2,0,0,0,0,0|2,0,0]=4 1510 B8R0.7 CSCCCNC(=O)C 527a_100000749238_100103153847 [2,0,0,0,0,0|2,0,0]=4 1511 B8R0.7 CSCCCOC(=O)C 62a_100000042594_200000210301 [2,0,0,0,0,0|1,0,0]=3 1512 B8R0.7 CSCCCOC(=O)C 62a_200000210301_100000042594 [2,0,0,0,0,0|1,0,0]=3 1513 B8R0.7 CSCCCOC(=S)C 62a_200000210301_200135323944 [2,0,0,0,0,0|1,1,0]=4 1514 B8R0.7 CSCCCOC(=S)C 62a_200135323944_200000210301 [2,0,0,0,0,0|1,1,0]=4 1515 B8R0.7 CSCCCSC(=O)C 62a_100000038929_200000210301 [2,0,0,0,0,0|1,1,0]=4 1516 B8R0.7 CSCCCSC(=O)C 62a_200000210301_100000038929 [2,0,0,0,0,0|1,1,0]=4 1517 B8R0.7 CSCCOCC(=O)C 34a_100000211253_100000212216 [2,0,0,0,0,0|2,0,0]=4 1518 B8R0.7 CSCOCCC(=O)C 34a_100000759926_100011218213 [2,0,0,0,0,0|2,0,0]=4 1519 B8R0.7 CSCSCCC(=O)C 62a_100000053229_100011218213 [2,0,0,0,0,0|2,0,0]=4 1520 B8R0.7 CSCSCCC(=O)C 62a_100011218213_100000053229 [2,0,0,0,0,0|2,0,0]=4 1521 B8R0.7 CSCSCOC(=O)C 62a_100000076356_100011218213 [2,0,0,0,0,0|2,0,0]=4 1522 B8R0.7 CSCSCOC(=O)C 62a_100011218213_100000076356 [2,0,0,0,0,0|2,0,0]=4 1523 B8R0.7 [13CH3]C(=O)CCCCCO 1458a_100102619762_200025704644 [2,0,0,0,0,0|1,0,0]=3 1524 B8R0.7 [13CH3]C(=O)CCOCCO 1458a_100011229844_200025704644 [2,0,0,0,0,0|2,0,0]=4 1525 B8R0.7 [13CH3]NCCCCC(=O)N 34a_100000696515_200025704644 [2,0,0,0,0,0|2,0,0]=4 1526 B8R0.7 [13CH3]OCCCCC(=O)N 34a_100012022536_200025704644 [2,0,0,0,0,0|2,0,0]=4 1527 B8R0.7 [13CH3]OCCCCC(=O)N 7a_100012022536_200025704644 [2,0,0,0,0,0|2,0,0]=4 1528 B8R0.28 CC(=O)CCCC(C)C 1458a_100000070787_100011214892 [2,0,0,0,0,0|2,0,0]=4 1529 B8R0.28 CC(=O)CCCC(C)C 1458a_100011216857_200000210301 [2,0,0,0,0,0|2,0,0]=4 1530 B8R0.28 CC(=O)CCCC(C)O 1458a_100000070787_200000718107 [2,0,0,0,0,0|1,1,0]=4 1531 B8R0.28 CC(=O)CCOC(=O)C 1458a_100000070787_100009814007 [2,0,0,0,0,0|0,1,1]=4 1532 B8R0.28 CC(=O)NCCC(C)C 11a_100000210545_100015343762 [2,0,0,0,0,0|2,0,0]=4 1533 B8R0.28 CC(=O)NCCC(C)C 1626a_100000210545_100015343762 [2,0,0,0,0,0|2,0,0]=4 1534 B8R0.28 CC(=O)NCCC(C)C 240690a_100000210545_100015343762 [2,0,0,0,0,0|2,0,0]=4 1535 B8R0.28 CC(=O)NCCC(C)C 527a_100000210545_100103153847 [2,0,0,0,0,0|2,0,0]=4 1536 B8R0.28 CC(=O)NCCC(C)O 240690a_200000755665_100015343762 [2,0,0,0,0,0|1,1,0]=4 1537 B8R0.28 CC(=O)NCCC(C)O 527a_200000755665_100103153847 [2,0,0,0,0,0|1,1,0]=4 1538 B8R0.28 CC(=O)OCCN(C)C 269982a_100102631434_100009814007 [2,0,0,0,0,0|2,0,0]=4 1539 B8R0.28 CC(=O)OCNC(C)C 34a_100138425928_100009813279 [2,0,0,0,0,0|2,0,0]=4 1540 B8R0.28 CC(=O)OCOC(C)C 34a_100000212225_100009813279 [2,0,0,0,0,0|2,0,0]=4 1541 B8R0.28 CC(=O)OCSC(C)C 62a_100000076356_100000210206 [2,0,0,0,0,0|2,0,0]=4 1542 B8R0.28 CC(=O)OCSC(C)C 62a_100000210206_100000076356 [2,0,0,0,0,0|2,0,0]=4 1543 B8R0.28 CC(C)CCCC(=O)[13CH3] 1458a_100011216857_200025704644 [2,0,0,0,0,0|2,0,0]=4 1544 B8R0.4 C/C=C/CCOCCC 34a_100016278192_100000210303 [2,0,0,0,0,0|2,0,0]=4 1545 B8R0.4 C/C=C/CNCCCC 7a_106832991798_100102629194 [2,0,0,0,0,0|2,0,0]=4 1546 B8R0.4 C/C=C/COCCCC 34a_100000210227_100102629194 [2,0,0,0,0,0|2,0,0]=4 1547 B8R0.4 C/C=C/COCCCC 34a_100016270725_100000210210 [2,0,0,0,0,0|2,0,0]=4 1548 B8R0.4 C/C=C/COCCCC 7a_100000210227_100102629194 [2,0,0,0,0,0|2,0,0]=4 1549 B8R0.4 C/C=C/CSCCCC 62a_100000210211_100102629194 [2,0,0,0,0,0|2,0,0]=4 1550 B8R0.4 C/C=C/CSCCCC 62a_100102629194_100000210210 [2,0,0,0,0,0|2,0,0]=4 1551 B8R0.4 C=COCCCCOC 34a_100000031558_200000210301 [2,0,0,0,0,0|1,0,1]=4 1552 B8R0.4 C=COCCCCOC 7a_100000031558_200000210301 [2,0,0,0,0,0|1,0,1]=4 1553 B8R0.4 C=COCCCCO[13CH3] 34a_100000031558_200025704644 [2,0,0,0,0,0|1,0,1]=4 1554 B8R0.4 C=COCCCCO[13CH3] 7a_100000031558_200025704644 [2,0,0,0,0,0|1,0,1]=4 1555 B8R0.4 C=COCCCNCC 2230a_100000210767_100000210202 [2,0,0,0,0,0|1,0,1]=4 1556 B8R0.4 C=COCCCNCC 34a_100000210767_100000210202 [2,0,0,0,0,0|1,0,1]=4 1557 B8R0.4 C=COCCOCCC 34a_100000033082_100000210303 [2,0,0,0,0,0|1,0,1]=4 1558 B8R0.4 C=COCCOCCC 34a_100000210258_100000039644 [2,0,0,0,0,0|1,0,1]=4 1559 B8R0.4 C=COCCSCCC 62a_100000039644_100000210303 [2,0,0,0,0,0|1,0,1]=4 1560 B8R0.4 C=COCCSCCC 62a_100000210303_100000039644 [2,0,0,0,0,0|1,0,1]=4 1561 B8R0.4 CC=CCCCOCC 34a_100020645299_100000210202 [2,0,0,0,0,0|2,0,0]=4 1562 B8R0.4 CC=CCNCCCC 2230a_100000102301_100000070051 [2,0,0,0,0,0|2,0,0]=4 1563 B8R0.4 CC=CCNCCCC 7a_106832991798_100000070051 [2,0,0,0,0,0|2,0,0]=4 1564 B8R0.4 CC=CCOCCCC 34a_100000210227_100000070051 [2,0,0,0,0,0|2,0,0]=4 1565 B8R0.4 CC=CCOCCCC 7a_100000210227_100000070051 [2,0,0,0,0,0|2,0,0]=4 1566 B8R0.4 CC=CCSCCCC 62a_100000070051_100000210210 [2,0,0,0,0,0|2,0,0]=4 1567 B8R0.4 CC=CCSCCCC 62a_100000210211_100000070051 [2,0,0,0,0,0|2,0,0]=4 1568 B8R0.4 CC=NNCCCCC 4a_100000694160_200000210099 [2,0,0,0,0,0|2,0,0]=4 1569 B8R0.4 CCCCCCCNC 2230a_100000229938_200000210301 [2,0,0,0,0,0|2,0,0]=4 1570 B8R0.4 CCCCCCCNC 2230a_106832991635_100000210681 [2,0,0,0,0,0|2,0,0]=4 1571 B8R0.4 CCCCCCCNC 34a_100102657272_100000210614 [2,0,0,0,0,0|2,0,0]=4 1572 B8R0.4 CCCCCCCNC 7a_106832991635_100000210614 [2,0,0,0,0,0|2,0,0]=4 1573 B8R0.4 CCCCCCCN[13CH3] 2230a_100000229938_200025704644 [2,0,0,0,0,0|2,0,0]=4 1574 B8R0.4 CCCCCCCOC 34a_100000210272_200000210301 [2,0,0,0,0,0|2,0,0]=4 1575 B8R0.4 CCCCCCCOC 34a_100138415774_100000210614 [2,0,0,0,0,0|2,0,0]=4 1576 B8R0.4 CCCCCCCOC 7a_100000210272_200000210301 [2,0,0,0,0,0|2,0,0]=4 1577 B8R0.4 CCCCCCCO[13CH3] 34a_100000210272_200025704644 [2,0,0,0,0,0|2,0,0]=4 1578 B8R0.4 CCCCCCCO[13CH3] 7a_100000210272_200025704644 [2,0,0,0,0,0|2,0,0]=4 1579 B8R0.4 CCCCCCCSC 62a_100000210614_200000210301 [2,0,0,0,0,0|2,0,0]=4 1580 B8R0.4 CCCCCCCSC 62a_200000210301_100000210316 [2,0,0,0,0,0|2,0,0]=4 1581 B8R0.4 CCCCCCCS[13CH3] 62a_100000210614_200025704644 [2,0,0,0,0,0|2,0,0]=4 1582 B8R0.4 CCCCCCCS[13CH3] 62a_200025704644_100000210316 [2,0,0,0,0,0|2,0,0]=4 1583 B8R0.4 CCCCCCNCC 2230a_100000210581_100000210202 [2,0,0,0,0,0|1,0,1]=4 1584 B8R0.4 CCCCCCNCC 2230a_100015525214_100000210314 [2,0,0,0,0,0|1,0,1]=4 1585 B8R0.4 CCCCCCOCC 34a_100000210259_100000210202 [2,0,0,0,0,0|0,0,1]=3 1586 B8R0.4 CCCCCCOCC 34a_100121572206_100000210314 [2,0,0,0,0,0|0,0,1]=3 1587 B8R0.4 CCCCCCOCC 7a_100000210259_100000210202 [2,0,0,0,0,0|0,0,1]=3 1588 B8R0.4 CCCCCCOCF 34a_100000210259_100015361967 [2,0,0,0,0,0|1,0,1]=4 1589 B8R0.4 CCCCCCOCF 7a_100000210259_100015361967 [2,0,0,0,0,0|1,0,1]=4 1590 B8R0.4 CCCCCCSCC 62a_100000210202_100000210757 [2,0,0,0,0,0|0,1,1]=4 1591 B8R0.4 CCCCCCSCC 62a_100000210314_100000210202 [2,0,0,0,0,0|0,1,1]=4 1592 B8R0.4 CCCCCNCC=O 2230a_100000209983_200015260668 [2,0,0,0,0,0|2,0,0]=4 1593 B8R0.4 CCCCCOCC=O 34a_100000210253_200009817547 [2,0,0,0,0,0|2,0,0]=4 1594 B8R0.4 CCCCCOCC=O 7a_100000210253_200015260668 [2,0,0,0,0,0|2,0,0]=4 1595 B8R0.4 CCCCCSCC=O 62a_100000210326_200015260668 [2,0,0,0,0,0|2,0,0]=4 1596 B8R0.4 CCCCCSCC=O 62a_200015260668_100000210326 [2,0,0,0,0,0|2,0,0]=4 1597 B8R0.4 CCCCOCOCC 34a_100121572206_100011995733 [2,0,0,0,0,0|1,0,1]=4 1598 B8R0.4 CCCCSCOCC 62a_100000210211_100000739092 [2,0,0,0,0,0|1,0,1]=4 1599 B8R0.4 CCCCSCOCC 62a_100000739092_100000210210 [2,0,0,0,0,0|1,0,1]=4 1600 B8R0.4 CCCNCCOCC 2230a_102516460346_100000210303 [2,0,0,0,0,0|1,0,1]=4 1601 B8R0.4 CCCNCCOCC 34a_102516460346_100000210303 [2,0,0,0,0,0|1,0,1]=4 1602 B8R0.4 CCCOCCOCC 34a_100000210136_100000210303 [2,0,0,0,0,0|1,0,1]=4 1603 B8R0.4 CCCOCCOCC 34a_100000210258_100000210147 [2,0,0,0,0,0|1,0,1]=4 1604 B8R0.4 CCCOCCOCC 34a_100000752267_100000210202 [2,0,0,0,0,0|1,0,1]=4 1605 B8R0.4 CCCOCCOCC 34a_100121572206_100011215938 [2,0,0,0,0,0|1,0,1]=4 1606 B8R0.4 CCCOCCOCC 7a_100000210136_100000210303 [2,0,0,0,0,0|1,0,1]=4 1607 B8R0.4 CCCOCCOCC 7a_100000752267_100000210202 [2,0,0,0,0,0|1,0,1]=4 1608 B8R0.4 CCCSCCCC=O 62a_100000210303_200011292268 [2,0,0,0,0,0|2,0,0]=4 1609 B8R0.4 CCCSCCCC=O 62a_200011292268_100000210303 [2,0,0,0,0,0|2,0,0]=4 1610 B8R0.4 CCCSCCOCC 34a_200000230433_100000210202 [2,0,0,0,0,0|1,0,1]=4 1611 B8R0.4 CCCSCCOCC 62a_100000210147_100000210303 [2,0,0,0,0,0|1,0,1]=4 1612 B8R0.4 CCCSCCOCC 62a_100000210303_100011215890 [2,0,0,0,0,0|1,0,1]=4 1613 B8R0.4 CCCSCCOCC 7a_200000230433_100000210202 [2,0,0,0,0,0|1,0,1]=4 1614 B8R0.4 CCNCCCCC=O 2230a_100015525214_100000139335 [2,0,0,0,0,0|2,0,0]=4 1615 B8R0.4 CCNCCCOCC 2230a_100000210961_100000210202 [2,0,0,0,0,0|1,0,1]=4 1616 B8R0.4 CCNCCCOCC 2230a_100015525214_100012232248 [2,0,0,0,0,0|1,0,1]=4 1617 B8R0.4 CCNCCCOCC 34a_100000210961_100000210202 [2,0,0,0,0,0|1,0,1]=4 1618 B8R0.4 CCOCCCCCBr 34a_100000746331_100000210202 [2,0,0,0,0,0|1,0,1]=4 1619 B8R0.4 CCOCCCCCBr 7a_100000746331_100000210202 [2,0,0,0,0,0|1,0,1]=4 1620 B8R0.4 CCOCCCCCCl 34a_100000746330_100000210202 [2,0,0,0,0,0|1,0,1]=4 1621 B8R0.4 CCOCCCCCCl 7a_100000746330_100000210202 [2,0,0,0,0,0|1,0,1]=4 1622 B8R0.4 CCOCCCCCF 34a_100121572206_100000729378 [2,0,0,0,0,0|1,0,1]=4 1623 B8R0.4 CCOCCCCCI 34a_200012148887_100000210202 [2,0,0,0,0,0|1,0,1]=4 1624 B8R0.4 CCOCCCCCI 7a_200012148887_100000210202 [2,0,0,0,0,0|1,0,1]=4 1625 B8R0.4 CCOCCCCCN 34a_100000762737_100000210202 [2,0,0,0,0,0|1,0,1]=4 1626 B8R0.4 CCOCCCCCO 34a_100121572206_100000746330 [2,0,0,0,0,0|1,0,1]=4 1627 B8R0.4 CCOCCCCOC 34a_100000740925_100000210202 [2,0,0,0,0,0|1,0,1]=4 1628 B8R0.4 CCOCCCCOC 34a_100121572206_100000755781 [2,0,0,0,0,0|1,0,1]=4 1629 B8R0.4 CCOCCCCSC 34a_100011217163_100000210202 [2,0,0,0,0,0|1,0,1]=4 1630 B8R0.4 CCOCCCCSC 7a_100011217163_100000210202 [2,0,0,0,0,0|1,0,1]=4 1631 B8R0.4 CCOCCCOCC 34a_100000757476_100000210202 [2,0,0,0,0,0|1,0,1]=4 1632 B8R0.4 CCOCCCOCC 34a_100121572206_100012232248 [2,0,0,0,0,0|1,0,1]=4 1633 B8R0.4 CCOCCCOCC 7a_100000757476_100000210202 [2,0,0,0,0,0|1,0,1]=4 1634 B8R0.4 CCOCCCSCC 34a_100011216438_100000210202 [2,0,0,0,0,0|1,0,1]=4 1635 B8R0.4 CCOCCCSCC 62a_100000210202_100012232248 [2,0,0,0,0,0|1,0,1]=4 1636 B8R0.4 CCOCCCSCC 62a_100012232248_100000210202 [2,0,0,0,0,0|1,0,1]=4 1637 B8R0.4 CCOCCCSCC 7a_100011216438_100000210202 [2,0,0,0,0,0|1,0,1]=4 1638 B8R0.4 CCSCCCCC=O 62a_100000139335_100000210202 [2,0,0,0,0,0|2,0,0]=4 1639 B8R0.4 CCSCCCCC=O 62a_100000210202_100000139335 [2,0,0,0,0,0|2,0,0]=4 1640 B8R0.4 CNCCCCCC=O 2230a_106832991635_100000139337 [2,0,0,0,0,0|2,0,0]=4 1641 B8R0.4 CNCCCCCC=O 7a_106832991635_100000139337 [2,0,0,0,0,0|2,0,0]=4 1642 B8R0.4 CSCCCCCC=O 62a_100000139337_200000210301 [2,0,0,0,0,0|2,0,0]=4 1643 B8R0.4 CSCCCCCC=O 62a_200000210301_100000139337 [2,0,0,0,0,0|2,0,0]=4 1644 B8R0.4 [13CH3]SCCCCCC=O 62a_100000139337_200025704644 [2,0,0,0,0,0|2,0,0]=4 1645 B8R0.4 [13CH3]SCCCCCC=O 62a_200025704644_100000139337 [2,0,0,0,0,0|2,0,0]=4 1646 B8R0.1 CCCC(=O)CCOC 1458a_100000211992_100000233755 [2,0,0,0,0,0|0,1,1]=4 1647 B8R0.1 CCCC(=O)CCOC 1458a_100000749529_100000210303 [2,0,0,0,0,0|0,1,1]=4 1648 B8R0.1 CCCC(C)CCOC 34a_100011217855_200000210301 [2,0,0,0,0,0|1,0,0]=3 1649 B8R0.1 CCCC(C)CCOC 7a_100011217855_200000210301 [2,0,0,0,0,0|1,0,0]=3 1650 B8R0.1 CCCC(C)CCO[13CH3] 34a_100011217855_200025704644 [2,0,0,0,0,0|1,0,0]=3 1651 B8R0.1 CCCC(C)CCO[13CH3] 7a_100011217855_200025704644 [2,0,0,0,0,0|1,0,0]=3 1652 B8R0.1 CCCC(C)COCC 34a_100000688023_100000210202 [2,0,0,0,0,0|1,0,1]=4 1653 B8R0.1 CCCC(C)COCC 34a_100121572206_100011216630 [2,0,0,0,0,0|1,0,1]=4 1654 B8R0.1 CCCC(C)COCC 7a_100000688023_100000210202 [2,0,0,0,0,0|1,0,1]=4 1655 B8R0.1 CCCC(C)NCC=O 2230a_100000741246_200015260668 [2,0,0,0,0,0|2,0,0]=4 1656 B8R0.1 CCCC(C)NCOC 2230a_100000741246_100000766300 [2,0,0,0,0,0|2,0,0]=4 1657 B8R0.1 CCCC(C)OCC=O 34a_100000764384_200009817547 [2,0,0,0,0,0|2,0,0]=4 1658 B8R0.1 CCCC(C)OCC=O 7a_100000764384_200015260668 [2,0,0,0,0,0|2,0,0]=4 1659 B8R0.1 CCCC(C)SCC=O 62a_100000766640_200015260668 [2,0,0,0,0,0|2,0,0]=4 1660 B8R0.1 CCCC(C)SCC=O 62a_200015260668_100000766640 [2,0,0,0,0,0|2,0,0]=4 1661 B8R0.1 CCCC(C)SCOC 62a_100000766300_100000766640 [2,0,0,0,0,0|2,0,0]=4 1662 B8R0.1 CCCC(C)SCOC 62a_100000766640_100000766300 [2,0,0,0,0,0|2,0,0]=4 1663 B8R0.1 CCCN(C)CCOC 2230a_100000743101_100000210303 [2,0,0,0,0,0|2,0,0]=4 1664 B8R0.1 CCCN(C)CCOC 2230a_100000747261_100011201679 [2,0,0,0,0,0|2,0,0]=4 1665 B8R0.1 CCCN(C)CCOC 2230a_200011192371_200000210301 [2,0,0,0,0,0|2,0,0]=4 1666 B8R0.1 CCCN(C)CCOC 269982a_100000743101_100000210303 [2,0,0,0,0,0|2,0,0]=4 1667 B8R0.1 CCCN(C)CCOC 269982a_100000747261_100000233755 [2,0,0,0,0,0|2,0,0]=4 1668 B8R0.1 CCCN(C)CCOC 269982a_200011192371_200000210301 [2,0,0,0,0,0|2,0,0]=4 1669 B8R0.1 CCCN([13CH3])CCOC 2230a_200011192371_200025704644 [2,0,0,0,0,0|2,0,0]=4 1670 B8R0.1 CCCN([13CH3])CCOC 269982a_200011192371_200025704644 [2,0,0,0,0,0|2,0,0]=4 1671 B8R0.1 CCC[C@H](N)CCOC 34a_100015193777_200000210301 [2,0,0,0,0,0|1,0,0]=3 1672 B8R0.1 CCC[C@H](N)CCO[13CH3] 34a_100015193777_200025704644 [2,0,0,0,0,0|1,0,0]=3 1673 B8R0.1 CCC[C@H](N)COCC 34a_100000732646_100000210202 [2,0,0,0,0,0|1,0,1]=4 1674 B8R0.1 CCNC(C)CCOC 270004a_100015525214_100000742357 [2,0,0,0,0,0|2,0,0]=4 1675 B10R0.44 CCC(C)CC(C)NC(=O)C 11a_100000763565_100015343762 [1,1,0,0,0,0|2,0,0]=4 1676 B10R0.44 CCC(C)CC(C)NC(=O)C 1626a_100000763565_100015343762 [1,1,0,0,0,0|2,0,0]=4 1677 B10R0.44 CCC(C)CC(C)NC(=O)C 240690a_100000763565_100015343762 [1,1,0,0,0,0|2,0,0]=4 1678 B10R0.44 CCC(C)CC(C)NC(=O)C 527a_100000763565_100103153847 [1,1,0,0,0,0|2,0,0]=4 1679 B10R0.44 CCC(C)SC(C)OC(=O)C 62a_100000758301_100009818208 [1,1,0,0,0,0|2,0,0]=4 1680 B10R0.44 CCC(C)SC(C)OC(=O)C 62a_100009818208_100000758301 [1,1,0,0,0,0|2,0,0]=4 1681 B10R0.57 CCC(C)C(=O)COC(=O)C 1458a_100000183556_100000758301 [1,1,0,0,0,0|1,0,1]=4 1682 B10R0.57 CCC(C)N(C)COC(=O)C 269982a_100000741768_100000076356 [1,1,0,0,0,0|2,0,0]=4 1683 B10R0.59 CCC(=O)CCOC(=O)NC 1458a_100000210414_200011997002 [1,1,0,0,0,0|0,1,1]=4 1684 B10R0.59 CCC(=O)NCCC(C)CC 11a_100020591266_100000210414 [1,1,0,0,0,0|2,0,0]=4 1685 B10R0.59 CCC(=O)NCCC(C)CC 1626a_100020591266_100000210414 [1,1,0,0,0,0|2,0,0]=4 1686 B10R0.59 CCC(=O)NCCC(C)CC 240690a_100020591266_100000210414 [1,1,0,0,0,0|2,0,0]=4 1687 B10R0.59 CCC(=O)NCCC(C)CC 527a_100020591266_100000210414 [1,1,0,0,0,0|2,0,0]=4 1688 B10R0.59 CCC(C)CCNC(=O)CO 240690a_100020591266_100000210174 [1,1,0,0,0,0|2,0,0]=4 1689 B10R0.59 CCC(C)CCNC(=O)CO 527a_100020591266_100000210174 [1,1,0,0,0,0|2,0,0]=4 1690 B10R0.59 CCC(C)CCNC(=O)NC 2708a_100020591266_106832991635 [1,1,0,0,0,0|2,0,0]=4 1691 B10R0.59 CCC(C)CCNC(=O)NC 2708a_100102657272_100020591266 [1,1,0,0,0,0|2,0,0]=4 1692 B10R0.59 CCC(C)CCNC(=O)NC 273464a_100020591266_100102657272 [1,1,0,0,0,0|2,0,0]=4 1693 B10R0.59 CCC(C)CCNC(=O)NC 273464a_100102657272_100020591266 [1,1,0,0,0,0|2,0,0]=4 1694 B10R0.59 CCC(C)CCNC(=O)NC 512a_100020591266_100102657272 [1,1,0,0,0,0|2,0,0]=4 1695 B10R0.59 CCC(C)CCNC(=O)NC 512a_106832991638_100020591266 [1,1,0,0,0,0|2,0,0]=4 1696 B10R0.59 CCC(C)SCOC(=O)OC 62a_100000758301_100000139417 [1,1,0,0,0,0|2,0,0]=4 1697 B10R0.59 CCN(C)CCOC(=O)NC 269982a_100000225621_200011997002 [1,1,0,0,0,0|2,0,0]=4 1698 B10R0.65 CCC(C)(C)SCOC(=O)C 62a_100000032637_100000076356 [1,1,0,0,0,0|2,0,0]=4 1699 B10R0.65 CCC(C)(C)SCOC(=O)C 62a_100000076356_100000032637 [1,1,0,0,0,0|2,0,0]=4 1700 B10R0.77 C#CC(CC)OCOC(=O)C 34a_100000758843_100009813279 [1,1,0,0,0,0|2,0,0]=4 1701 B10R0.77 C=CC(CC)OCOC(=O)C 34a_100000766422_100009813279 [1,1,0,0,0,0|2,0,0]=4 1702 B10R0.77 CCC(CC)SCOC(=O)C 62a_100000076356_100000210505 [1,1,0,0,0,0|2,0,0]=4 1703 B10R0.77 CCC(CC)SCOC(=O)C 62a_100000210505_100000076356 [1,1,0,0,0,0|2,0,0]=4 1704 B10R0.77 CCN(CC)CCOC(=O)C 269956a_100000042499_100009814007 [1,1,0,0,0,0|2,0,0]=4 1705 B10R0.77 CCN(CC)CCOC(=O)C 269982a_100000724800_100009814007 [1,1,0,0,0,0|2,0,0]=4 1706 B10R0.98 CC(=O)OCCC(=O)C(C)C 1458a_100000210198_100009814007 [1,1,0,0,0,0|0,1,1]=4 1707 B10R0.98 CC(=O)OCCC(=O)C(C)F 1458a_100000062450_100009814007 [1,1,0,0,0,0|0,1,1]=4 1708 B10R0.98 CC(=O)OCCC(=O)[C@@H](C)O 1458a_100000717761_100009814007 [1,1,0,0,0,0|0,1,1]=4 1709 B10R0.98 CC(=O)OCCC(=O)[C@H](C)O 1458a_217856618621_100009814007 [1,1,0,0,0,0|0,1,1]=4 1710 B10R0.98 CC(=O)OCCN(C)C(C)C 269982a_200000211004_100009814007 [1,1,0,0,0,0|2,0,0]=4 1711 B10R0.4 C#CCCCCCCC(=O)C 1458a_100000034748_200000210301 [1,1,0,0,0,0|1,0,1]=4 1712 B10R0.4 C#CCCCCCCC(=O)C 1458a_100000070787_100012276617 [1,1,0,0,0,0|1,0,1]=4 1713 B10R0.4 C#CCCCCCCC(=O)[13CH3] 1458a_100000034748_200025704644 [1,1,0,0,0,0|1,0,1]=4 1714 B10R0.4 C#CCCCCOCC(=O)C 34a_100000211253_100010269958 [1,1,0,0,0,0|0,0,2]=4 1715 B10R0.4 C#CCCCNCOC(=O)C 34a_100000718082_100009813279 [1,1,0,0,0,0|0,0,2]=4 1716 B10R0.4 C#CCCCOCOC(=O)C 34a_100000215630_100009813279 [1,1,0,0,0,0|0,0,2]=4 1717 B10R0.4 C#CCCCSCOC(=O)C 62a_100000076356_100011215417 [1,1,0,0,0,0|0,0,2]=4 1718 B10R0.4 C#CCCCSCOC(=O)C 62a_100011215417_100000076356 [1,1,0,0,0,0|0,0,2]=4 1719 B10R0.4 C#CCCNCCOC(=O)C 34a_100000755551_100009814007 [1,1,0,0,0,0|0,0,2]=4 1720 B10R0.4 C#CCCOCCOC(=O)C 34a_100011215631_100009814007 [1,1,0,0,0,0|0,0,2]=4 1721 B10R0.4 C#CCCSCCOC(=O)C 62a_100000688953_100009814007 [1,1,0,0,0,0|0,0,2]=4 1722 B10R0.4 C#CCCSCCOC(=O)C 62a_100009814007_100000688953 [1,1,0,0,0,0|0,0,2]=4 1723 B10R0.4 C#CCNCCCOC(=O)C 34a_100000212058_100000042594 [1,1,0,0,0,0|0,0,2]=4 1724 B10R0.4 C#CCOCCCOC(=O)C 34a_100000210247_100000042594 [1,1,0,0,0,0|0,0,2]=4 1725 B10R0.4 C#CCSCCCOC(=O)C 62a_100000038162_100000042594 [1,1,0,0,0,0|0,0,2]=4 1726 B10R0.4 C/C=C/CCOCOC(=O)C 34a_100016278192_100009813279 [1,1,0,0,0,0|0,0,2]=4 1727 B10R0.4 C/C=C/COCCOC(=O)C 34a_100016270725_100009814007 [1,1,0,0,0,0|0,0,2]=4 1728 B10R0.4 C/C=C/CSCCOC(=O)C 62a_100009814007_100102629194 [1,1,0,0,0,0|0,0,2]=4 1729 B10R0.4 C/C=C/CSCCOC(=O)C 62a_100102629194_100009814007 [1,1,0,0,0,0|0,0,2]=4 1730 B10R0.4 C=C(C)CCNCCCCC 2230a_100000209983_100000730704 [1,1,0,0,0,0|2,0,0]=4 1731 B10R0.4 C=C(C)CCOCCCCC 34a_100000210253_100000730704 [1,1,0,0,0,0|2,0,0]=4 1732 B10R0.4 C=C(C)CCOCCCCC 34a_100000764851_100000718602 [1,1,0,0,0,0|2,0,0]=4 1733 B10R0.4 C=C(C)CCOCCCCC 7a_100000210253_100000730704 [1,1,0,0,0,0|2,0,0]=4 1734 B10R0.4 C=C(C)CCSCCCCC 62a_100000210326_100000730704 [1,1,0,0,0,0|2,0,0]=4 1735 B10R0.4 C=C(C)CCSCCCCC 62a_100000730704_100000210326 [1,1,0,0,0,0|2,0,0]=4 1736 B10R0.4 C=C(C)CNCCCCCC 2230a_100000210581_100000748629 [1,1,0,0,0,0|2,0,0]=4 1737 B10R0.4 C=C(C)COCCCCCBr 34a_100000746331_100000748629 [1,1,0,0,0,0|2,0,0]=4 1738 B10R0.4 C=C(C)COCCCCCBr 7a_100000746331_100000748629 [1,1,0,0,0,0|2,0,0]=4 1739 B10R0.4 C=C(C)COCCCCCC 34a_100000210245_100000210314 [1,1,0,0,0,0|1,0,0]=3 1740 B10R0.4 C=C(C)COCCCCCC 34a_100000210259_100000748629 [1,1,0,0,0,0|1,0,0]=3 1741 B10R0.4 C=C(C)COCCCCCC 7a_100000210259_100000748629 [1,1,0,0,0,0|1,0,0]=3 1742 B10R0.4 C=C(C)COCCCCCCl 34a_100000746330_100000748629 [1,1,0,0,0,0|2,0,0]=4 1743 B10R0.4 C=C(C)COCCCCCCl 7a_100000746330_100000748629 [1,1,0,0,0,0|2,0,0]=4 1744 B10R0.4 C=C(C)COCCCCCF 34a_100000210245_100000729378 [1,1,0,0,0,0|2,0,0]=4 1745 B10R0.4 C=C(C)COCCCCCI 34a_200012148887_100000748629 [1,1,0,0,0,0|2,0,0]=4 1746 B10R0.4 C=C(C)COCCCCCI 7a_200012148887_100000748629 [1,1,0,0,0,0|2,0,0]=4 1747 B10R0.4 C=C(C)COCCCCCN 34a_100000762737_100000748629 [1,1,0,0,0,0|2,0,0]=4 1748 B10R0.4 C=C(C)COCCCCCO 34a_100000210245_100000746330 [1,1,0,0,0,0|2,0,0]=4 1749 B10R0.4 C=C(C)COCCCCOC 34a_100000210245_100000755781 [1,1,0,0,0,0|2,0,0]=4 1750 B10R0.4 C=C(C)COCCCCOC 34a_100000740925_100000748629 [1,1,0,0,0,0|2,0,0]=4 1751 B10R0.4 C=C(C)COCCCCSC 34a_100011217163_100000748629 [1,1,0,0,0,0|2,0,0]=4 1752 B10R0.4 C=C(C)COCCCCSC 7a_100011217163_100000748629 [1,1,0,0,0,0|2,0,0]=4 1753 B10R0.4 C=C(C)COCCCOCC 34a_100000210245_100012232248 [1,1,0,0,0,0|2,0,0]=4 1754 B10R0.4 C=C(C)COCCCOCC 34a_100000757476_100000748629 [1,1,0,0,0,0|2,0,0]=4 1755 B10R0.4 C=C(C)COCCCOCC 7a_100000757476_100000748629 [1,1,0,0,0,0|2,0,0]=4 1756 B10R0.4 C=C(C)COCCCSCC 34a_100011216438_100000748629 [1,1,0,0,0,0|2,0,0]=4 1757 B10R0.4 C=C(C)COCCCSCC 7a_100011216438_100000748629 [1,1,0,0,0,0|2,0,0]=4 1758 B10R0.4 C=C(C)COCCOCCC 34a_100000210245_100011215938 [1,1,0,0,0,0|2,0,0]=4 1759 B10R0.4 C=C(C)COCCOCCC 34a_100000752267_100000748629 [1,1,0,0,0,0|2,0,0]=4 1760 B10R0.4 C=C(C)COCCOCCC 7a_100000752267_100000748629 [1,1,0,0,0,0|2,0,0]=4 1761 B10R0.4 C=C(C)COCCSCCC 34a_200000230433_100000748629 [1,1,0,0,0,0|2,0,0]=4 1762 B10R0.4 C=C(C)COCCSCCC 7a_200000230433_100000748629 [1,1,0,0,0,0|2,0,0]=4 1763 B10R0.4 C=C(C)COCOCCCC 34a_100000210245_100011995733 [1,1,0,0,0,0|2,0,0]=4 1764 B10R0.4 C=C(C)CSCCCCCC 62a_100000210314_100000211660 [1,1,0,0,0,0|1,1,0]=4 1765 B10R0.4 C=C(C)CSCCCCCC 62a_100000748629_100000210757 [1,1,0,0,0,0|1,1,0]=4 1766 B10R0.4 C=C(F)COCCCCCC 34a_100000210259_100009893438 [1,1,0,0,0,0|1,0,1]=4 1767 B10R0.4 C=C(F)COCCCCCC 34a_200010262243_100000210314 [1,1,0,0,0,0|1,0,1]=4 1768 B10R0.4 C=C(F)COCCCCCC 7a_100000210259_100000042424 [1,1,0,0,0,0|1,0,1]=4 1769 B10R0.4 C=CCCCCCCC(=O)C 1458a_100000070787_100011215473 [1,1,0,0,0,0|1,0,1]=4 1770 B10R0.4 C=CCCCCCCC(=O)C 1458a_100011809334_200000210301 [1,1,0,0,0,0|1,0,1]=4 1771 B10R0.4 C=CCCCCCCC(=O)[13CH3] 1458a_100011809334_200025704644 [1,1,0,0,0,0|1,0,1]=4 1772 B10R0.4 C=CCCCCOCC(=O)C 34a_100000211253_100011215482 [1,1,0,0,0,0|0,0,2]=4 1773 B10R0.4 C=CCCCNCOC(=O)C 34a_100000700776_100009813279 [1,1,0,0,0,0|0,0,2]=4 1774 B10R0.4 C=CCCCOCOC(=O)C 34a_100000758997_100009813279 [1,1,0,0,0,0|0,0,2]=4 1775 B10R0.4 C=CCCCSCOC(=O)C 62a_100000076356_100000757094 [1,1,0,0,0,0|0,0,2]=4 1776 B10R0.4 C=CCCCSCOC(=O)C 62a_100011713584_100000076356 [1,1,0,0,0,0|0,0,2]=4 1777 B10R0.4 C=CCCOCCOC(=O)C 34a_100011205117_100009814007 [1,1,0,0,0,0|0,0,2]=4 1778 B10R0.4 C=CCCSCCOC(=O)C 62a_100000754431_100009814007 [1,1,0,0,0,0|0,0,2]=4 1779 B10R0.4 C=CCCSCCOC(=O)C 62a_100009814007_100000754431 [1,1,0,0,0,0|0,0,2]=4 1780 B10R0.4 C=CCOCCCOC(=O)C 34a_200000210373_100000042594 [1,1,0,0,0,0|0,0,2]=4 1781 B10R0.4 C=CCSCCCOC(=O)C 62a_100000042594_100000210623 [1,1,0,0,0,0|0,0,2]=4 1782 B10R0.4 C=CCSCCCOC(=O)C 62a_100000210623_100000042594 [1,1,0,0,0,0|0,0,2]=4 1783 B10R0.4 CC#CCCOCOC(=O)C 34a_100000750427_100009813279 [1,1,0,0,0,0|0,0,2]=4 1784 B10R0.4 CC#CCNCCOC(=O)C 34a_100000685387_100009814007 [1,1,0,0,0,0|0,0,2]=4 1785 B10R0.4 CC#CCOCCOC(=O)C 34a_100000761923_100009814007 [1,1,0,0,0,0|0,0,2]=4 1786 B10R0.4 CC#CCSCCOC(=O)C 62a_100000748600_100009814007 [1,1,0,0,0,0|0,0,2]=4 1787 B10R0.4 CC#CCSCCOC(=O)C 62a_100009814007_100000748600 [1,1,0,0,0,0|0,0,2]=4 1788 B10R0.4 CC(=O)CCCCCCC#N 1458a_100000070787_100009813337 [1,1,0,0,0,0|1,0,1]=4 1789 B10R0.4 CC(=O)CCCCCCCO 1458a_100000070787_100000760002 [1,1,0,0,0,0|1,0,0]=3 1790 B10R0.4 CC(=O)CCCCCCCO 1458a_100011219782_200000210301 [1,1,0,0,0,0|1,0,0]=3 1791 B10R0.4 CC(=O)CCCCNCCF 34a_100000724931_100009817362 [1,1,0,0,0,0|2,0,0]=4 1792 B10R0.4 CC(=O)CCCCNCCO 34a_100016990907_100009817362 [1,1,0,0,0,0|2,0,0]=4 1793 B10R0.4 CC(=O)CCCCOCCBr 34a_100000211926_100009817362 [1,1,0,0,0,0|2,0,0]=4 1794 B10R0.4 CC(=O)CCCCOCCN 34a_100000210304_100009817362 [1,1,0,0,0,0|2,0,0]=4 1795 B10R0.4 CC(=O)CCCCSCCF 62a_100000735457_100011217306 [1,1,0,0,0,0|2,0,0]=4 1796 B10R0.4 CC(=O)CCCCSCCF 62a_100011217306_100000735457 [1,1,0,0,0,0|2,0,0]=4 1797 B10R0.4 CC(=O)CCCCSCCO 62a_100000211926_100000735457 [1,1,0,0,0,0|2,0,0]=4 1798 B10R0.4 CC(=O)CCCCSCCO 62a_100000735457_100000211926 [1,1,0,0,0,0|2,0,0]=4 1799 B10R0.4 CC(=O)CCCNCCCF 34a_100015189416_100000685027 [1,1,0,0,0,0|2,0,0]=4 1800 B10R0.4 CC(=O)CCCOCCCBr 34a_100011217188_100000685027 [1,1,0,0,0,0|2,0,0]=4 1801 B10R0.4 CC(=O)CCCOCCCCl 34a_100000230001_100000685027 [1,1,0,0,0,0|2,0,0]=4 1802 B10R0.4 CC(=O)CCCOCCCF 34a_100000759063_100011934791 [1,1,0,0,0,0|2,0,0]=4 1803 B10R0.4 CC(=O)CCCOCCCF 34a_100000759539_100000685027 [1,1,0,0,0,0|2,0,0]=4 1804 B10R0.4 CC(=O)CCCOCCCF 7a_100000759063_100011934791 [1,1,0,0,0,0|2,0,0]=4 1805 B10R0.4 CC(=O)CCCOCCCN 34a_100000182051_100000685027 [1,1,0,0,0,0|2,0,0]=4 1806 B10R0.4 CC(=O)CCCOCCCO 34a_100000759063_100000230001 [1,1,0,0,0,0|2,0,0]=4 1807 B10R0.4 CC(=O)CCCOCCCO 7a_100000759063_100011215043 [1,1,0,0,0,0|2,0,0]=4 1808 B10R0.4 CC(=O)CCCSCCCF 62a_100011215641_100011934791 [1,1,0,0,0,0|2,0,0]=4 1809 B10R0.4 CC(=O)CCCSCCCF 62a_100011934791_100011215641 [1,1,0,0,0,0|2,0,0]=4 1810 B10R0.4 CC(=O)CCCSCCCO 62a_100011215043_100011215641 [1,1,0,0,0,0|2,0,0]=4 1811 B10R0.4 CC(=O)CCCSCCCO 62a_100011215641_100011215043 [1,1,0,0,0,0|2,0,0]=4 1812 B10R0.4 CC(=O)CCOCCCCCl 7a_100000210776_100000053229 [1,1,0,0,0,0|2,0,0]=4 1813 B10R0.4 CC(=O)CCOCCCCF 34a_100000759926_100000729493 [1,1,0,0,0,0|2,0,0]=4 1814 B10R0.4 CC(=O)CCOCCCCF 7a_100000759926_100000729493 [1,1,0,0,0,0|2,0,0]=4 1815 B10R0.4 CC(=O)CCOCCCCF 7a_100011995726_100000053229 [1,1,0,0,0,0|2,0,0]=4 1816 B10R0.4 CC(=O)CCOCCCCO 34a_100000759926_100011216708 [1,1,0,0,0,0|2,0,0]=4 1817 B10R0.4 CC(=O)CCOCCCCO 7a_100000759926_100000210776 [1,1,0,0,0,0|2,0,0]=4 1818 B10R0.4 CC(=O)CCSCCCCF 62a_100000053229_100000729493 [1,1,0,0,0,0|2,0,0]=4 1819 B10R0.4 CC(=O)CCSCCCCF 62a_100000729493_100000053229 [1,1,0,0,0,0|2,0,0]=4 1820 B10R0.4 CC(=O)CCSCCCCO 62a_100000053229_100000210776 [1,1,0,0,0,0|2,0,0]=4 1821 B10R0.4 CC(=O)CCSCCCCO 62a_100000210776_100000053229 [1,1,0,0,0,0|2,0,0]=4 1822 B10R0.4 CC(=O)COCCCCCF 34a_100000211253_100000729378 [1,1,0,0,0,0|1,0,0]=3 1823 B10R0.4 CC(=O)COCCCCCO 34a_100000211253_100000746330 [1,1,0,0,0,0|1,0,0]=3 1824 B10R0.4 CC(=O)COCCOCCO 1458a_106645077154_200000210301 [1,1,0,0,0,0|2,0,0]=4 1825 B10R0.4 CC(=O)COCCOCCO 34a_100000211253_100000692535 [1,1,0,0,0,0|2,0,0]=4 1826 B10R0.4 CC(=O)NCCCCCC#N 11a_100000061152_100015343762 [1,1,0,0,0,0|1,0,1]=4 1827 B10R0.4 CC(=O)NCCCCCC#N 1626a_100000061152_100015343762 [1,1,0,0,0,0|1,0,1]=4 1828 B10R0.4 CC(=O)NCCCCCC#N 240690a_100000061152_100015343762 [1,1,0,0,0,0|1,0,1]=4 1829 B10R0.4 CC(=O)NCCCCCC#N 527a_100000061152_100103153847 [1,1,0,0,0,0|1,0,1]=4 1830 B10R0.4 CC(=O)NCCCCCCO 240690a_100000686447_100015343762 [1,1,0,0,0,0|1,0,0]=3 1831 B10R0.4 CC(=O)NCCCCCCO 527a_100000686447_100103153847 [1,1,0,0,0,0|1,0,0]=3 1832 B10R0.4 CC(=O)NCCCCCN[13CH3] 2230a_200012022750_200025704644 [1,1,0,0,0,0|1,0,0]=3 1833 B10R0.4 CC(=O)NCCCCCN[13CH3] 34a_200012022750_200025704644 [1,1,0,0,0,0|1,0,0]=3 1834 B10R0.4 CC(=O)NCCCCNCF 34a_200011368371_100015361967 [1,1,0,0,0,0|2,0,0]=4 1835 B10R0.4 CC(=O)NCCCNCCF 34a_100000736810_100011217306 [1,1,0,0,0,0|2,0,0]=4 1836 B10R0.4 CC(=O)NCCCNCCO 34a_100000736810_100000211926 [1,1,0,0,0,0|2,0,0]=4 1837 B10R0.4 CC(=O)NCCCOCCF 34a_100000752032_100011217306 [1,1,0,0,0,0|2,0,0]=4 1838 B10R0.4 CC(=O)NCCCOCCO 34a_100000752032_100000211926 [1,1,0,0,0,0|2,0,0]=4 1839 B10R0.4 CC(=O)NCCNCCCF 2230a_100000209853_100011934791 [1,1,0,0,0,0|2,0,0]=4 1840 B10R0.4 CC(=O)NCCNCCCF 2230a_100015189416_100000189650 [1,1,0,0,0,0|2,0,0]=4 1841 B10R0.4 CC(=O)NCCNCCCO 2230a_100000209853_100000230001 [1,1,0,0,0,0|2,0,0]=4 1842 B10R0.4 CC(=O)NCCOCCCF 34a_100000158858_100011934791 [1,1,0,0,0,0|2,0,0]=4 1843 B10R0.4 CC(=O)NCCOCCCO 34a_100000158858_100000230001 [1,1,0,0,0,0|2,0,0]=4 1844 B10R0.4 CC(=O)NCCSCCCF 62a_100000189650_100011934791 [1,1,0,0,0,0|2,0,0]=4 1845 B10R0.4 CC(=O)NCCSCCCF 62a_100011934791_100000189650 [1,1,0,0,0,0|2,0,0]=4 1846 B10R0.4 CC(=O)NCCSCCCO 62a_100000189650_100011215043 [1,1,0,0,0,0|2,0,0]=4 1847 B10R0.4 CC(=O)NCCSCCCO 62a_100011215043_100000189650 [1,1,0,0,0,0|2,0,0]=4 1848 B10R0.4 CC(=O)OCCCCCS[13CH3] 62a_100000033007_200025704644 [1,1,0,0,0,0|0,0,0]=2 1849 B10R0.4 CC(=O)OCCCCCS[13CH3] 62a_200025704644_100000033007 [1,1,0,0,0,0|0,0,0]=2 1850 B10R0.4 CC(=O)OCCCCOCF 34a_100000073216_100015361967 [1,1,0,0,0,0|1,0,0]=3 1851 B10R0.4 CC(=O)OCCCCOCF 7a_100000073216_100015361967 [1,1,0,0,0,0|1,0,0]=3 1852 B10R0.4 CC(=O)OCCCCSCF 62a_100000033659_100015361967 [1,1,0,0,0,0|1,0,0]=3 1853 B10R0.4 CC(=O)OCCCCSCF 62a_100015361967_100000033659 [1,1,0,0,0,0|1,0,0]=3 1854 B10R0.4 CC(=O)OCCCNCCF 34a_100000724931_100000042594 [1,1,0,0,0,0|1,0,0]=3 1855 B10R0.4 CC(=O)OCCCNCCO 34a_100016990907_100000042594 [1,1,0,0,0,0|1,0,0]=3 1856 B10R0.4 CC(=O)OCCCOCCBr 34a_100000211926_100000042594 [1,1,0,0,0,0|1,0,0]=3 1857 B10R0.4 CC(=O)OCCCOCCN 34a_100000210304_100000042594 [1,1,0,0,0,0|1,0,0]=3 1858 B10R0.4 CC(=O)OCCCSCC#N 62a_100000042594_100011215382 [1,1,0,0,0,0|1,0,1]=4 1859 B10R0.4 CC(=O)OCCCSCC#N 62a_100011215382_100000042594 [1,1,0,0,0,0|1,0,1]=4 1860 B10R0.4 CC(=O)OCCCSCC=O 62a_100000042594_200015260668 [1,1,0,0,0,0|1,0,1]=4 1861 B10R0.4 CC(=O)OCCCSCC=O 62a_200015260668_100000042594 [1,1,0,0,0,0|1,0,1]=4 1862 B10R0.4 CC(=O)OCCCSCCF 62a_100000042594_100011217306 [1,1,0,0,0,0|1,0,0]=3 1863 B10R0.4 CC(=O)OCCCSCCF 62a_100011217306_100000042594 [1,1,0,0,0,0|1,0,0]=3 1864 B10R0.4 CC(=O)OCCCSCCO 62a_100000042594_100000211926 [1,1,0,0,0,0|1,0,0]=3 1865 B10R0.4 CC(=O)OCCCSCCO 62a_100000211926_100000042594 [1,1,0,0,0,0|1,0,0]=3 1866 B10R0.4 CC(=O)OCCNCCCF 34a_100015189416_100009814007 [1,1,0,0,0,0|1,0,0]=3 1867 B10R0.4 CC(=O)OCCOCCCBr 34a_100011217188_100009814007 [1,1,0,0,0,0|1,0,0]=3 1868 B10R0.4 CC(=O)OCCOCCCCl 34a_100000230001_100009814007 [1,1,0,0,0,0|1,0,0]=3 1869 B10R0.4 CC(=O)OCCOCCCF 34a_100000759539_100009814007 [1,1,0,0,0,0|1,0,0]=3 1870 B10R0.4 CC(=O)OCCOCCCN 34a_100000182051_100009814007 [1,1,0,0,0,0|1,0,0]=3 1871 B10R0.4 CC(=O)OCCOCCON 34a_100000700252_100009814007 [1,1,0,0,0,0|2,0,0]=4 1872 B10R0.4 CC(=O)OCCOCCS[13CH3] 62a_200000083610_200025704644 [1,1,0,0,0,0|1,0,0]=3 1873 B10R0.4 CC(=O)OCCOCCS[13CH3] 62a_200025704644_200000083610 [1,1,0,0,0,0|1,0,0]=3 1874 B10R0.4 CC(=O)OCCOCSCF 62a_100000076355_100015361967 [1,1,0,0,0,0|2,0,0]=4 1875 B10R0.4 CC(=O)OCCOCSCF 62a_100015361967_100000076355 [1,1,0,0,0,0|2,0,0]=4 1876 B10R0.4 CC(=O)OCCSCCC#N 62a_100009814007_100011215226 [1,1,0,0,0,0|1,0,1]=4 1877 B10R0.4 CC(=O)OCCSCCC#N 62a_100011215226_100009814007 [1,1,0,0,0,0|1,0,1]=4 1878 B10R0.4 CC(=O)OCCSCCCF 62a_100009814007_100011934791 [1,1,0,0,0,0|1,0,0]=3 1879 B10R0.4 CC(=O)OCCSCCCF 62a_100011934791_100009814007 [1,1,0,0,0,0|1,0,0]=3 1880 B10R0.4 CC(=O)OCCSCCCO 62a_100009814007_100011215043 [1,1,0,0,0,0|1,0,0]=3 1881 B10R0.4 CC(=O)OCCSCCCO 62a_100011215043_100009814007 [1,1,0,0,0,0|1,0,0]=3 1882 B10R0.4 CC(=O)OCNCCCCO 34a_100000750430_100009813279 [1,1,0,0,0,0|1,0,0]=3 1883 B10R0.4 CC(=O)OCOCCCCBr 34a_100011216708_100009813279 [1,1,0,0,0,0|1,0,0]=3 1884 B10R0.4 CC(=O)OCOCCCCCl 34a_100000210776_100009813279 [1,1,0,0,0,0|1,0,0]=3 1885 B10R0.4 CC(=O)OCOCCCCF 34a_100011995726_100009813279 [1,1,0,0,0,0|1,0,0]=3 1886 B10R0.4 CC(=O)OCOCCCCI 34a_200012148704_100009813279 [1,1,0,0,0,0|1,0,0]=3 1887 B10R0.4 CC(=O)OCOCCCCN 34a_100000750430_100009813279 [1,1,0,0,0,0|1,0,0]=3 1888 B10R0.4 CC(=O)OCSCCCC#N 62a_100000076356_100000687738 [1,1,0,0,0,0|1,0,1]=4 1889 B10R0.4 CC(=O)OCSCCCC#N 62a_100000687738_100000076356 [1,1,0,0,0,0|1,0,1]=4 1890 B10R0.4 CC(=O)OCSCCCC=O 62a_100000076356_200011292268 [1,1,0,0,0,0|1,0,1]=4 1891 B10R0.4 CC(=O)OCSCCCC=O 62a_200011292268_100000076356 [1,1,0,0,0,0|1,0,1]=4 1892 B10R0.4 CC(=O)OCSCCCCF 62a_100000076356_100000729493 [1,1,0,0,0,0|1,0,0]=3 1893 B10R0.4 CC(=O)OCSCCCCF 62a_100000729493_100000076356 [1,1,0,0,0,0|1,0,0]=3 1894 B10R0.4 CC(=O)OCSCCCCO 62a_100000076356_100000210776 [1,1,0,0,0,0|1,0,0]=3 1895 B10R0.4 CC(=O)OCSCCCCO 62a_100000210776_100000076356 [1,1,0,0,0,0|1,0,0]=3 1896 B10R0.4 CC(=O)SCCCCSCF 62a_100015361967_200010402107 [1,1,0,0,0,0|1,1,0]=4 1897 B10R0.4 CC(=O)SCCCCSCF 62a_200010402107_100015361967 [1,1,0,0,0,0|1,1,0]=4 1898 B10R0.4 CC(=O)SCCCNCCF 34a_100000724931_100000038929 [1,1,0,0,0,0|1,1,0]=4 1899 B10R0.4 CC(=O)SCCCNCCO 2230a_100016997473_100000038929 [1,1,0,0,0,0|1,1,0]=4 1900 B10R0.4 CC(=O)SCCCNCCO 34a_100016990907_100000038929 [1,1,0,0,0,0|1,1,0]=4 1901 B10R0.4 CC(=O)SCCCOCCBr 34a_100000211926_100000038929 [1,1,0,0,0,0|1,1,0]=4 1902 B10R0.4 CC(=O)SCCCOCCN 34a_100000210304_100000038929 [1,1,0,0,0,0|1,1,0]=4 1903 B10R0.4 CC(=O)SCCCSCCF 62a_100000038929_100011217306 [1,1,0,0,0,0|1,1,0]=4 1904 B10R0.4 CC(=O)SCCCSCCF 62a_100011217306_100000038929 [1,1,0,0,0,0|1,1,0]=4 1905 B10R0.4 CC(=O)SCCCSCCO 62a_100000038929_100000211926 [1,1,0,0,0,0|1,1,0]=4 1906 B10R0.4 CC(=O)SCCCSCCO 62a_100000211926_100000038929 [1,1,0,0,0,0|1,1,0]=4 1907 B10R0.4 CC(=S)OCCCNCCF 34a_100000724931_200135323944 [1,1,0,0,0,0|1,1,0]=4 1908 B10R0.4 CC(=S)OCCCNCCO 2230a_100016997473_200135323944 [1,1,0,0,0,0|1,1,0]=4 1909 B10R0.4 CC(=S)OCCCNCCO 34a_100016990907_200135323944 [1,1,0,0,0,0|1,1,0]=4 1910 B10R0.4 CC(=S)OCCCOCCBr 34a_100000211926_200135323944 [1,1,0,0,0,0|1,1,0]=4 1911 B10R0.4 CC(=S)OCCCOCCN 34a_100000210304_200135323944 [1,1,0,0,0,0|1,1,0]=4 1912 B10R0.4 CC(=S)OCCCSCCF 62a_100011217306_200135323944 [1,1,0,0,0,0|1,1,0]=4 1913 B10R0.4 CC(=S)OCCCSCCF 62a_200135323944_100011217306 [1,1,0,0,0,0|1,1,0]=4 1914 B10R0.4 CC(=S)OCCCSCCO 62a_100000211926_200135323944 [1,1,0,0,0,0|1,1,0]=4 1915 B10R0.4 CC(=S)OCCCSCCO 62a_200135323944_100000211926 [1,1,0,0,0,0|1,1,0]=4 1916 B10R0.4 CC(C)OCCCCCCBr 34a_100011215345_100000210206 [1,1,0,0,0,0|1,0,1]=4 1917 B10R0.4 CC(C)OCCCCCCBr 7a_100011215345_100000210206 [1,1,0,0,0,0|1,0,1]=4 1918 B10R0.4 CC(C)OCCCCCCCl 34a_100000766143_100000210206 [1,1,0,0,0,0|1,0,1]=4 1919 B10R0.4 CC(C)OCCCCCCCl 7a_100000766143_100000210206 [1,1,0,0,0,0|1,0,1]=4 1920 B10R0.4 CC(C)OCCCCCCF 34a_100000212225_100015922095 [1,1,0,0,0,0|1,0,1]=4 1921 B10R0.4 CC(C)OCCCCCCF 34a_100000732779_100000210206 [1,1,0,0,0,0|1,0,1]=4 1922 B10R0.4 CC(C)OCCCCCCF 7a_100000732779_100000210206 [1,1,0,0,0,0|1,0,1]=4 1923 B10R0.4 CC(C)OCCCCCCN 34a_100000686447_100000210206 [1,1,0,0,0,0|1,0,1]=4 1924 B10R0.4 CC(C)OCCCCCCO 34a_100000212225_100000766143 [1,1,0,0,0,0|1,0,1]=4 1925 B10R0.4 CC/C=C\CCOCC(=O)C 34a_100000211253_100015370543 [1,1,0,0,0,0|0,0,2]=4 1926 B10R0.4 CC/C=C\COCOC(=O)C 34a_100016268518_100009813279 [1,1,0,0,0,0|0,0,2]=4 1927 B10R0.4 CC/C=C\CSCOC(=O)C 62a_100000076356_100103147603 [1,1,0,0,0,0|0,0,2]=4 1928 B10R0.4 CC/C=C\CSCOC(=O)C 62a_100103147603_100000076356 [1,1,0,0,0,0|0,0,2]=4 1929 B10R0.4 CC=CCSCCOC(=O)C 62a_100000070051_100009814007 [1,1,0,0,0,0|0,0,2]=4 1930 B10R0.4 CC=CCSCCOC(=O)C 62a_100009814007_100000070051 [1,1,0,0,0,0|0,0,2]=4 1931 B10R0.4 CCC#CCOCOC(=O)C 34a_100000032950_100009813279 [1,1,0,0,0,0|0,0,2]=4 1932 B10R0.4 CCC#CCSCOC(=O)C 62a_100000076356_100009813939 [1,1,0,0,0,0|0,0,2]=4 1933 B10R0.4 CCC#CCSCOC(=O)C 62a_100009813939_100000076356 [1,1,0,0,0,0|0,0,2]=4 1934 B10R0.4 CCCCC/C=C/CC(=O)C 1458a_100020675968_200000210301 [1,1,0,0,0,0|1,0,1]=4 1935 B10R0.4 CCCCC/C=C/CC(=O)[13CH3] 1458a_100020675968_200025704644 [1,1,0,0,0,0|1,0,1]=4 1936 B10R0.4 CCCCCC#CCC(=O)C 1458a_100000070787_100009816472 [1,1,0,0,0,0|1,0,1]=4 1937 B10R0.4 CCCCCC=NNC(=O)C 4a_100000189765_100000737632 [1,1,0,0,0,0|1,0,1]=4 1938 B10R0.4 CCCCCCC=CC(=O)C 1458a_200015324643_200000210301 [1,1,0,0,0,0|1,0,0]=3 1939 B10R0.4 CCCCCCC=CC(=O)[13CH3] 1458a_200015324643_200025704644 [1,1,0,0,0,0|1,0,0]=3 1940 B10R0.4 CCCCCCCCC(=O)C 1458a_100000070787_100000210759 [1,1,0,0,0,0|1,0,0]=3 1941 B10R0.4 CCCCCCCCC(=O)C 1458a_100000210188_200000210301 [1,1,0,0,0,0|1,0,0]=3 1942 B10R0.4 CCCCCCCCC(=O)[13CH3] 1458a_100000210188_200025704644 [1,1,0,0,0,0|1,0,0]=3 1943 B10R0.4 CCCCCCCNC(=O)C 11a_100000229938_100015343762 [1,1,0,0,0,0|1,0,0]=3 1944 B10R0.4 CCCCCCCNC(=O)C 1626a_100000229938_100015343762 [1,1,0,0,0,0|1,0,0]=3 1945 B10R0.4 CCCCCCCNC(=O)C 240690a_100000229938_100015343762 [1,1,0,0,0,0|1,0,0]=3 1946 B10R0.4 CCCCCCCNC(=O)C 527a_100000229938_100103153847 [1,1,0,0,0,0|1,0,0]=3 1947 B10R0.4 CCCCCCCOC(C)C 34a_100000210272_100000210206 [1,1,0,0,0,0|1,0,1]=4 1948 B10R0.4 CCCCCCCOC(C)C 34a_100000212225_100000210614 [1,1,0,0,0,0|1,0,1]=4 1949 B10R0.4 CCCCCCCOC(C)C 7a_100000210272_100000210206 [1,1,0,0,0,0|1,0,1]=4 1950 B10R0.4 CCCCCCNCC(=O)N 2230a_100000210581_100000747473 [1,1,0,0,0,0|2,0,0]=4 1951 B10R0.4 CCCCCCNCC(=O)N 2230a_100000711301_100000210314 [1,1,0,0,0,0|2,0,0]=4 1952 B10R0.4 CCCCCCNCC(=O)O 269956a_100016091260_100000210757 [1,1,0,0,0,0|2,0,0]=4 1953 B10R0.4 CCCCCCOCC(=O)C 34a_100000211253_100000210314 [1,1,0,0,0,0|0,0,0]=2 1954 B10R0.4 CCCCCCOCC(=O)N 34a_100000210259_100000187820 [1,1,0,0,0,0|1,0,0]=3 1955 B10R0.4 CCCCCCOCC(=O)N 7a_100000210259_100000187820 [1,1,0,0,0,0|1,0,0]=3 1956 B10R0.4 CCCCCCOCC(=O)[O-] 34a_100000210259_100020667443 [1,1,0,0,0,0|1,0,0]=3 1957 B10R0.4 CCCCCCOCC(C)Br 34a_100012180447_100000210314 [1,1,0,0,0,0|1,0,1]=4 1958 B10R0.4 CCCCCCOCC(C)C 34a_100000210257_100000210314 [1,1,0,0,0,0|1,0,1]=4 1959 B10R0.4 CCCCCCOCC(C)C 34a_100000210259_100000210624 [1,1,0,0,0,0|1,0,1]=4 1960 B10R0.4 CCCCCCOCC(C)C 7a_100000210259_100000210760 [1,1,0,0,0,0|1,0,1]=4 1961 B10R0.4 CCCCCCOCC(C)F 34a_100015925927_100000210314 [1,1,0,0,0,0|1,0,1]=4 1962 B10R0.4 CCCCCCOCC(C)O 34a_100000210259_100011218427 [1,1,0,0,0,0|0,0,2]=4 1963 B10R0.4 CCCCCCOCC(C)O 7a_100000210259_100011218427 [1,1,0,0,0,0|0,0,2]=4 1964 B10R0.4 CCCCCCOC[C@@H](C)Cl 34a_100016084084_100000210314 [1,1,0,0,0,0|1,0,1]=4 1965 B10R0.4 CCCCCCOC[C@@H](C)N 34a_100000737577_100000210314 [1,1,0,0,0,0|1,0,1]=4 1966 B10R0.4 CCCCCCOC[C@@H](C)O 34a_100000210259_100009817552 [1,1,0,0,0,0|0,0,2]=4 1967 B10R0.4 CCCCCCOC[C@@H](C)O 7a_100000210259_100009817552 [1,1,0,0,0,0|0,0,2]=4 1968 B10R0.4 CCCCCCOC[N+](=O)[O-] 34a_100000210259_100000761209 [1,1,0,0,0,0|2,0,0]=4 1969 B10R0.4 CCCCCCSCC(=O)N 62a_100000210314_100000747473 [1,1,0,0,0,0|1,1,0]=4 1970 B10R0.4 CCCCCCSCC(=O)N 62a_100000747473_100000210757 [1,1,0,0,0,0|1,1,0]=4 1971 B10R0.4 CCCCCCSCC(=O)[O-] 62a_100000210314_100020667443 [1,1,0,0,0,0|1,1,0]=4 1972 B10R0.4 CCCCCCSCC(=O)[O-] 62a_100020667443_100000210757 [1,1,0,0,0,0|1,1,0]=4 1973 B10R0.4 CCCCCNCC=C(C)C 2230a_100000209983_100000761012 [1,1,0,0,0,0|2,0,0]=4 1974 B10R0.4 CCCCCNCC=C(C)C 34a_100000718196_100000718602 [1,1,0,0,0,0|2,0,0]=4 1975 B10R0.4 CCCCCNCCC(=O)N 2230a_100000209983_100000744528 [1,1,0,0,0,0|2,0,0]=4 1976 B10R0.4 CCCCCNCOC(C)C 2230a_100000209983_100000709892 [1,1,0,0,0,0|1,0,1]=4 1977 B10R0.4 CCCCCNOCC(=O)O 269956a_100000106656_100000210326 [1,1,0,0,0,0|2,0,0]=4 1978 B10R0.4 CCCCCOCC=C(C)C 34a_100000210253_100000761012 [1,1,0,0,0,0|2,0,0]=4 1979 B10R0.4 CCCCCOCC=C(C)C 34a_100000753907_100000718602 [1,1,0,0,0,0|2,0,0]=4 1980 B10R0.4 CCCCCOCC=C(C)C 7a_100000210253_100000761012 [1,1,0,0,0,0|2,0,0]=4 1981 B10R0.4 CCCCCOCCC(=O)C 34a_100000759926_100000718602 [1,1,0,0,0,0|1,0,0]=3 1982 B10R0.4 CCCCCOCCC(=O)C 7a_100000210253_100000053229 [1,1,0,0,0,0|1,0,0]=3 1983 B10R0.4 CCCCCOCCC(=O)C 7a_100000759926_100000210326 [1,1,0,0,0,0|1,0,0]=3 1984 B10R0.4 CCCCCOCCC(=O)N 34a_100000210253_100000731001 [1,1,0,0,0,0|2,0,0]=4 1985 B10R0.4 CCCCCOCCC(=O)N 34a_100000757172_100000718602 [1,1,0,0,0,0|2,0,0]=4 1986 B10R0.4 CCCCCOCCC(=O)N 7a_100000210253_100000744528 [1,1,0,0,0,0|2,0,0]=4 1987 B10R0.4 CCCCCOCCC(=O)N 7a_100000757172_100000210326 [1,1,0,0,0,0|2,0,0]=4 1988 B10R0.4 CCCCCOCOC(=O)C 34a_100000210253_100009813279 [1,1,0,0,0,0|0,0,0]=2 1989 B10R0.4 CCCCCOCOC(C)C 34a_100000210253_100000709892 [1,1,0,0,0,0|1,0,1]=4 1990 B10R0.4 CCCCCSCC=C(C)C 62a_100000210326_100000761012 [1,1,0,0,0,0|2,0,0]=4 1991 B10R0.4 CCCCCSCC=C(C)C 62a_100000761012_100000210326 [1,1,0,0,0,0|2,0,0]=4 1992 B10R0.4 CCCCCSCCC(=O)C 62a_100000053229_100000210326 [1,1,0,0,0,0|1,0,0]=3 1993 B10R0.4 CCCCCSCCC(=O)C 62a_100000210326_100000053229 [1,1,0,0,0,0|1,0,0]=3 1994 B10R0.4 CCCCCSCCC(=O)N 62a_100000210326_100000744528 [1,1,0,0,0,0|2,0,0]=4 1995 B10R0.4 CCCCCSCCC(=O)N 62a_100000744528_100000210326 [1,1,0,0,0,0|2,0,0]=4 1996 B10R0.4 CCCCCSCOC(=O)C 62a_100000076356_100000210326 [1,1,0,0,0,0|0,0,0]=2 1997 B10R0.4 CCCCCSCOC(=O)C 62a_100000210326_100000076356 [1,1,0,0,0,0|0,0,0]=2 1998 B10R0.4 CCCCCSCOC(C)C 62a_100000210326_100000709892 [1,1,0,0,0,0|1,0,1]=4 1999 B10R0.4 CCCCCSCOC(C)C 62a_100000709892_100000210326 [1,1,0,0,0,0|1,0,1]=4 2000 B10R0.4 CCCCNCCC=C(C)C 2230a_100000102301_100011217483 [1,1,0,0,0,0|2,0,0]=4 2001 B10R0.4 CCCCNCCC=C(C)C 7a_106832991798_100011217483 [1,1,0,0,0,0|2,0,0]=4 2002 B10R0.4 CCCCNCCCC(=O)C 7a_106832991798_100011215641 [1,1,0,0,0,0|1,0,0]=3 2003 B10R0.4 CCCCNCCCC(=O)N 34a_100000739312_100000210210 [1,1,0,0,0,0|2,0,0]=4 2004 B10R0.4 CCCCNCCCC(=O)N 7a_106832991798_100102525003 [1,1,0,0,0,0|2,0,0]=4 2005 B10R0.4 CCCCNCCCS(=O)C 2230a_200000753449_100000210211 [1,1,0,0,0,0|2,0,0]=4 2006 B10R0.4 CCCCNCCNC(=O)C 2230a_100000102301_100000189650 [1,1,0,0,0,0|1,0,0]=3 2007 B10R0.4 CCCCNCCNC(=O)C 2230a_100000209853_100000210211 [1,1,0,0,0,0|1,0,0]=3 2008 B10R0.4 CCCCNCCNC(=O)C 7a_106832991798_100000189650 [1,1,0,0,0,0|1,0,0]=3 2009 B10R0.4 CCCCNCCNC(=O)N 2230a_100000102301_200000034859 [1,1,0,0,0,0|2,0,0]=4 2010 B10R0.4 CCCCNCCNC(=O)N 34a_100020590234_100000210210 [1,1,0,0,0,0|2,0,0]=4 2011 B10R0.4 CCCCNCCNC(=O)N 7a_106832991798_200000034859 [1,1,0,0,0,0|2,0,0]=4 2012 B10R0.4 CCCCNCCOC(=O)C 7a_106832991798_100009814007 [1,1,0,0,0,0|0,0,0]=2 2013 B10R0.4 CCCCNCCOC(=O)N 7a_106832991798_200011214921 [1,1,0,0,0,0|1,0,0]=3 2014 B10R0.4 CCCCNCCOC(C)C 2230a_100000102301_100000211751 [1,1,0,0,0,0|1,0,1]=4 2015 B10R0.4 CCCCNCCOC(C)C 2230a_100000701111_100000210211 [1,1,0,0,0,0|1,0,1]=4 2016 B10R0.4 CCCCNCCOC(C)C 34a_100000701111_100000210210 [1,1,0,0,0,0|1,0,1]=4 2017 B10R0.4 CCCCNCCOC(C)C 7a_106832991798_100000211751 [1,1,0,0,0,0|1,0,1]=4 2018 B10R0.4 CCCCOCCC=C(C)C 34a_100000210227_100011217483 [1,1,0,0,0,0|2,0,0]=4 2019 B10R0.4 CCCCOCCC=C(C)C 7a_100000210227_100011217483 [1,1,0,0,0,0|2,0,0]=4 2020 B10R0.4 CCCCOCCCC(=O)C 34a_100000210227_100000685027 [1,1,0,0,0,0|1,0,0]=3 2021 B10R0.4 CCCCOCCCC(=O)C 34a_100000759063_100000210210 [1,1,0,0,0,0|1,0,0]=3 2022 B10R0.4 CCCCOCCCC(=O)C 7a_100000210227_100011215641 [1,1,0,0,0,0|1,0,0]=3 2023 B10R0.4 CCCCOCCCC(=O)C 7a_100000759063_100000210211 [1,1,0,0,0,0|1,0,0]=3 2024 B10R0.4 CCCCOCCCC(=O)N 34a_100000210227_100102525003 [1,1,0,0,0,0|2,0,0]=4 2025 B10R0.4 CCCCOCCCC(=O)N 7a_100000210227_100102525003 [1,1,0,0,0,0|2,0,0]=4 2026 B10R0.4 CCCCOCCNC(=O)C 34a_100000158858_100000210210 [1,1,0,0,0,0|1,0,0]=3 2027 B10R0.4 CCCCOCCNC(=O)C 7a_100000210227_100000189650 [1,1,0,0,0,0|1,0,0]=3 2028 B10R0.4 CCCCOCCNC(=O)N 34a_100000181757_100000210210 [1,1,0,0,0,0|2,0,0]=4 2029 B10R0.4 CCCCOCCNC(=O)N 7a_100000210227_200000034859 [1,1,0,0,0,0|2,0,0]=4 2030 B10R0.4 CCCCOCCOC(=O)C 34a_100000210227_100009814007 [1,1,0,0,0,0|0,0,0]=2 2031 B10R0.4 CCCCOCCOC(=O)C 7a_100000210227_100009814007 [1,1,0,0,0,0|0,0,0]=2 2032 B10R0.4 CCCCOCCOC(=O)N 34a_100000210227_200011214921 [1,1,0,0,0,0|1,0,0]=3 2033 B10R0.4 CCCCOCCOC(=O)N 7a_100000210227_200011214921 [1,1,0,0,0,0|1,0,0]=3 2034 B10R0.4 CCCCOCCOC(=O)N 7a_100000766696_100000210211 [1,1,0,0,0,0|1,0,0]=3 2035 B10R0.4 CCCCOCCOC(C)C 34a_100000210227_100000211751 [1,1,0,0,0,0|1,0,1]=4 2036 B10R0.4 CCCCOCCOC(C)C 34a_100000210238_100000210206 [1,1,0,0,0,0|1,0,1]=4 2037 B10R0.4 CCCCOCCOC(C)C 34a_100000211219_100000210210 [1,1,0,0,0,0|1,0,1]=4 2038 B10R0.4 CCCCOCCOC(C)C 34a_100000212225_100000743108 [1,1,0,0,0,0|1,0,1]=4 2039 B10R0.4 CCCCOCCOC(C)C 7a_100000210227_100000211751 [1,1,0,0,0,0|1,0,1]=4 2040 B10R0.4 CCCCOCCOC(C)C 7a_100000210238_100000210206 [1,1,0,0,0,0|1,0,1]=4 2041 B10R0.4 CCCCOCCOC(C)C 7a_100000211219_100000210211 [1,1,0,0,0,0|1,0,1]=4 2042 B10R0.4 CCCCOCOCC(=O)C 34a_100000211253_100011995733 [1,1,0,0,0,0|1,0,0]=3 2043 B10R0.4 CCCCSCCC=C(C)C 62a_100000210211_100011217483 [1,1,0,0,0,0|2,0,0]=4 2044 B10R0.4 CCCCSCCC=C(C)C 62a_100011217483_100000210210 [1,1,0,0,0,0|2,0,0]=4 2045 B10R0.4 CCCCSCCCC(=O)C 62a_100000210211_100011215641 [1,1,0,0,0,0|1,0,0]=3 2046 B10R0.4 CCCCSCCCC(=O)C 62a_100011215641_100000210210 [1,1,0,0,0,0|1,0,0]=3 2047 B10R0.4 CCCCSCCCC(=O)N 62a_100000210211_100102525003 [1,1,0,0,0,0|2,0,0]=4 2048 B10R0.4 CCCCSCCCC(=O)N 62a_100102525003_100000210210 [1,1,0,0,0,0|2,0,0]=4 2049 B10R0.4 CCCCSCCNC(=O)C 11a_100025743550_100015343762 [1,1,0,0,0,0|1,0,0]=3 2050 B10R0.4 CCCCSCCNC(=O)C 1626a_100025743550_100015343762 [1,1,0,0,0,0|1,0,0]=3 2051 B10R0.4 CCCCSCCNC(=O)C 240690a_100025743550_100015343762 [1,1,0,0,0,0|1,0,0]=3 2052 B10R0.4 CCCCSCCNC(=O)C 527a_100025743550_100103153847 [1,1,0,0,0,0|1,0,0]=3 2053 B10R0.4 CCCCSCCNC(=O)C 62a_100000189650_100000210210 [1,1,0,0,0,0|1,0,0]=3 2054 B10R0.4 CCCCSCCNC(=O)C 62a_100000210211_100000189650 [1,1,0,0,0,0|1,0,0]=3 2055 B10R0.4 CCCCSCCNC(=O)N 62a_100000210211_200000034859 [1,1,0,0,0,0|2,0,0]=4 2056 B10R0.4 CCCCSCCNC(=O)N 62a_200000034859_100000210210 [1,1,0,0,0,0|2,0,0]=4 2057 B10R0.4 CCCCSCCOC(=O)C 62a_100000210211_100009814007 [1,1,0,0,0,0|0,0,0]=2 2058 B10R0.4 CCCCSCCOC(=O)C 62a_100009814007_100000210210 [1,1,0,0,0,0|0,0,0]=2 2059 B10R0.4 CCCCSCCOC(=O)N 62a_100000210211_200011214921 [1,1,0,0,0,0|1,0,0]=3 2060 B10R0.4 CCCCSCCOC(=O)N 62a_200011214921_100000210210 [1,1,0,0,0,0|1,0,0]=3 2061 B10R0.4 CCCCSCCOC(C)C 34a_200000230436_100000210206 [1,1,0,0,0,0|1,0,1]=4 2062 B10R0.4 CCCCSCCOC(C)C 62a_100000210211_100000211751 [1,1,0,0,0,0|1,0,1]=4 2063 B10R0.4 CCCCSCCOC(C)C 62a_100000211751_100000210210 [1,1,0,0,0,0|1,0,1]=4 2064 B10R0.4 CCCCSCCOC(C)C 7a_200000230436_100000210206 [1,1,0,0,0,0|1,0,1]=4 2065 B10R0.4 CCCNCCCCC(=O)N 34a_100000696515_100000210303 [1,1,0,0,0,0|2,0,0]=4 2066 B10R0.4 CCCNCCCNC(=O)C 34a_100000736810_100000210303 [1,1,0,0,0,0|1,0,0]=3 2067 B10R0.4 CCCNCCCOC(C)C 2230a_100000737246_100000210303 [1,1,0,0,0,0|1,0,1]=4 2068 B10R0.4 CCCNCCCOC(C)C 34a_100000737246_100000210303 [1,1,0,0,0,0|1,0,1]=4 2069 B10R0.4 CCCNCCOCC(=O)O 269956a_100000700818_100000210207 [1,1,0,0,0,0|2,0,0]=4 2070 B10R0.4 CCCOCCCCC(=O)C 34a_100000210258_100009817362 [1,1,0,0,0,0|1,0,0]=3 2071 B10R0.4 CCCOCCCCC(=O)N 34a_100012022536_100000210303 [1,1,0,0,0,0|2,0,0]=4 2072 B10R0.4 CCCOCCCCC(=O)N 7a_100012022536_100000210303 [1,1,0,0,0,0|2,0,0]=4 2073 B10R0.4 CCCOCCCNC(=O)C 1626a_100011217757_100015343762 [1,1,0,0,0,0|1,0,0]=3 2074 B10R0.4 CCCOCCCNC(=O)C 240690a_100011217757_100015343762 [1,1,0,0,0,0|1,0,0]=3 2075 B10R0.4 CCCOCCCNC(=O)C 34a_100000752032_100000210303 [1,1,0,0,0,0|1,0,0]=3 2076 B10R0.4 CCCOCCCNC(=O)C 527a_100011217757_100103153847 [1,1,0,0,0,0|1,0,0]=3 2077 B10R0.4 CCCOCCCOC(=O)C 34a_100000210258_100000042594 [1,1,0,0,0,0|0,0,0]=2 2078 B10R0.4 CCCOCCCOC(=S)C 34a_100000210258_200135323944 [1,1,0,0,0,0|0,1,0]=3 2079 B10R0.4 CCCOCCCSC(=O)C 34a_100000210258_100000038929 [1,1,0,0,0,0|0,1,0]=3 2080 B10R0.4 CCCOCCOCC(=O)C 34a_100000211253_100011215938 [1,1,0,0,0,0|1,0,0]=3 2081 B10R0.4 CCCOCCOCC(=O)N 34a_100000210258_100000076697 [1,1,0,0,0,0|2,0,0]=4 2082 B10R0.4 CCCOCCOCC(=O)N 34a_100000752267_100000187820 [1,1,0,0,0,0|2,0,0]=4 2083 B10R0.4 CCCOCCOCC(=O)N 7a_100000752267_100000187820 [1,1,0,0,0,0|2,0,0]=4 2084 B10R0.4 CCCOCCOCC(=O)[O-] 34a_100000752267_100020667443 [1,1,0,0,0,0|2,0,0]=4 2085 B10R0.4 CCCSCCCCC(=O)C 62a_100000210303_100000735457 [1,1,0,0,0,0|1,0,0]=3 2086 B10R0.4 CCCSCCCCC(=O)C 62a_100000735457_100000210303 [1,1,0,0,0,0|1,0,0]=3 2087 B10R0.4 CCCSCCCOC(=O)C 62a_100000042594_100000210303 [1,1,0,0,0,0|0,0,0]=2 2088 B10R0.4 CCCSCCCOC(=O)C 62a_100000210303_100000042594 [1,1,0,0,0,0|0,0,0]=2 2089 B10R0.4 CCCSCCCOC(=S)C 62a_100000210303_200135323944 [1,1,0,0,0,0|0,1,0]=3 2090 B10R0.4 CCCSCCCOC(=S)C 62a_200135323944_100000210303 [1,1,0,0,0,0|0,1,0]=3 2091 B10R0.4 CCCSCCCSC(=O)C 62a_100000038929_100000210303 [1,1,0,0,0,0|0,1,0]=3 2092 B10R0.4 CCCSCCCSC(=O)C 62a_100000210303_100000038929 [1,1,0,0,0,0|0,1,0]=3 2093 B10R0.4 CCCSCCOCC(=O)N 34a_200000230433_100000187820 [1,1,0,0,0,0|2,0,0]=4 2094 B10R0.4 CCCSCCOCC(=O)N 62a_100000076697_100000210303 [1,1,0,0,0,0|2,0,0]=4 2095 B10R0.4 CCCSCCOCC(=O)N 62a_100000210303_100000076697 [1,1,0,0,0,0|2,0,0]=4 2096 B10R0.4 CCCSCCOCC(=O)N 7a_200000230433_100000187820 [1,1,0,0,0,0|2,0,0]=4 2097 B10R0.4 CCCSCCOCC(=O)[O-] 34a_200000230433_100020667443 [1,1,0,0,0,0|2,0,0]=4 2098 B10R0.4 CCNCCCCCC(=O)N 2230a_100015525214_100009817443 [1,1,0,0,0,0|2,0,0]=4 2099 B10R0.4 CCNCCCCNC(=O)C 2230a_200011368371_100000210202 [1,1,0,0,0,0|1,0,0]=3 2100 B10R0.4 CCNCCCCNC(=O)C 34a_200011368371_100000210202 [1,1,0,0,0,0|1,0,0]=3 2101 B10R0.4 CCNCCCCSC(=O)C 2230a_100015525214_200010402107 [1,1,0,0,0,0|0,1,0]=3 2102 B10R0.4 CCOCCCCCC(=O)N 34a_100000123541_100000210202 [1,1,0,0,0,0|2,0,0]=4 2103 B10R0.4 CCOCCCCCC(=O)N 34a_100121572206_100009817443 [1,1,0,0,0,0|2,0,0]=4 2104 B10R0.4 CCOCCCCCC(=O)N 7a_100000123541_100000210202 [1,1,0,0,0,0|2,0,0]=4 2105 B10R0.4 CCOCCCCCC(=O)[O-] 7a_100102619762_100000210202 [1,1,0,0,0,0|2,0,0]=4 2106 B10R0.4 CCOCCCCOC(=O)C 34a_100000073216_100000210202 [1,1,0,0,0,0|0,0,0]=2 2107 B10R0.4 CCOCCCCOC(=O)C 34a_100121572206_100000033659 [1,1,0,0,0,0|0,0,0]=2 2108 B10R0.4 CCOCCCCOC(=O)C 7a_100000073216_100000210202 [1,1,0,0,0,0|0,0,0]=2 2109 B10R0.4 CCOCCCCO[N+](=O)[O-] 34a_100121572206_100015694321 [1,1,0,0,0,0|2,0,0]=4 2110 B10R0.4 CCOCCCCSC(=O)C 34a_100121572206_200010402107 [1,1,0,0,0,0|0,1,0]=3 2111 B10R0.4 CCOCCCOCC(=O)C 34a_100000211253_100012232248 [1,1,0,0,0,0|1,0,0]=3 2112 B10R0.4 CCOCCCOCC(=O)N 34a_100000757476_100000187820 [1,1,0,0,0,0|2,0,0]=4 2113 B10R0.4 CCOCCCOCC(=O)N 7a_100000757476_100000187820 [1,1,0,0,0,0|2,0,0]=4 2114 B10R0.4 CCOCCCOCC(=O)[O-] 34a_100000757476_100020667443 [1,1,0,0,0,0|2,0,0]=4 2115 B10R0.4 CCOCCNCOC(=O)C 34a_102516460346_100009813279 [1,1,0,0,0,0|1,0,0]=3 2116 B10R0.4 CCOCCOCCC(=O)C 1458a_100000070787_100011211534 [1,1,0,0,0,0|2,0,0]=4 2117 B10R0.4 CCOCCOCCC(=O)C 34a_100000759926_100000210147 [1,1,0,0,0,0|2,0,0]=4 2118 B10R0.4 CCOCCOCCC(=O)C 7a_100000210136_100000053229 [1,1,0,0,0,0|2,0,0]=4 2119 B10R0.4 CCOCCOCCC(=O)C 7a_100000759926_100011215890 [1,1,0,0,0,0|2,0,0]=4 2120 B10R0.4 CCOCCOCOC(=O)C 34a_100000210136_100009813279 [1,1,0,0,0,0|1,0,0]=3 2121 B10R0.4 CCOCCSCCC(=O)C 62a_100000053229_100011215890 [1,1,0,0,0,0|2,0,0]=4 2122 B10R0.4 CCOCCSCCC(=O)C 62a_100000210147_100000053229 [1,1,0,0,0,0|2,0,0]=4 2123 B10R0.4 CCOCCSCOC(=O)C 62a_100000076356_100011215890 [1,1,0,0,0,0|1,0,0]=3 2124 B10R0.4 CCOCCSCOC(=O)C 62a_100000210147_100000076356 [1,1,0,0,0,0|1,0,0]=3 2125 B10R0.4 CCOCOCCOC(=O)C 34a_100121572206_100000076355 [1,1,0,0,0,0|1,0,0]=3 2126 B10R0.4 CCOCSCCCC(=O)C 62a_100000739092_100011215641 [1,1,0,0,0,0|2,0,0]=4 2127 B10R0.4 CCOCSCCCC(=O)C 62a_100011215641_100000739092 [1,1,0,0,0,0|2,0,0]=4 2128 B10R0.4 CCOCSCCNC(=O)C 62a_100000189650_100000739092 [1,1,0,0,0,0|2,0,0]=4 2129 B10R0.4 CCOCSCCNC(=O)C 62a_100000739092_100000189650 [1,1,0,0,0,0|2,0,0]=4 2130 B10R0.4 CCOCSCCOC(=O)C 62a_100000739092_100009814007 [1,1,0,0,0,0|1,0,0]=3 2131 B10R0.4 CCOCSCCOC(=O)C 62a_100009814007_100000739092 [1,1,0,0,0,0|1,0,0]=3 2132 B10R0.4 CCOCSCCOC(=O)N 62a_100000739092_200011214921 [1,1,0,0,0,0|2,0,0]=4 2133 B10R0.4 CCOCSCCOC(=O)N 62a_200011214921_100000739092 [1,1,0,0,0,0|2,0,0]=4 2134 B10R0.4 CCSCCCCCC(=O)N 62a_100000210202_100009817443 [1,1,0,0,0,0|2,0,0]=4 2135 B10R0.4 CCSCCCCCC(=O)N 62a_100009817443_100000210202 [1,1,0,0,0,0|2,0,0]=4 2136 B10R0.4 CCSCCCCOC(=O)C 62a_100000033659_100000210202 [1,1,0,0,0,0|0,0,0]=2 2137 B10R0.4 CCSCCCCOC(=O)C 62a_100000210202_100000033659 [1,1,0,0,0,0|0,0,0]=2 2138 B10R0.4 CCSCCCCO[N+](=O)[O-] 62a_100000210202_100015694321 [1,1,0,0,0,0|2,0,0]=4 2139 B10R0.4 CCSCCCCSC(=O)C 62a_100000210202_200010402107 [1,1,0,0,0,0|0,1,0]=3 2140 B10R0.4 CCSCCCCSC(=O)C 62a_200010402107_100000210202 [1,1,0,0,0,0|0,1,0]=3 2141 B10R0.4 CCSCCCOCC(=O)N 34a_100011216438_100000187820 [1,1,0,0,0,0|2,0,0]=4 2142 B10R0.4 CCSCCCOCC(=O)N 7a_100011216438_100000187820 [1,1,0,0,0,0|2,0,0]=4 2143 B10R0.4 CCSCCCOCC(=O)[O-] 34a_100011216438_100020667443 [1,1,0,0,0,0|2,0,0]=4 2144 B10R0.4 CCSCCOCCC(=O)C 34a_100000759926_100000757381 [1,1,0,0,0,0|2,0,0]=4 2145 B10R0.4 CCSCCOCCC(=O)C 7a_100000212035_100000053229 [1,1,0,0,0,0|2,0,0]=4 2146 B10R0.4 CCSCCOCCC(=O)C 7a_100000759926_100000757381 [1,1,0,0,0,0|2,0,0]=4 2147 B10R0.4 CCSCCOCOC(=O)C 34a_100000212035_100009813279 [1,1,0,0,0,0|1,0,0]=3 2148 B10R0.4 CCSCCSCCC(=O)C 62a_100000053229_100000757381 [1,1,0,0,0,0|2,0,0]=4 2149 B10R0.4 CCSCCSCCC(=O)C 62a_100000757381_100000053229 [1,1,0,0,0,0|2,0,0]=4 2150 B10R0.4 CCSCCSCOC(=O)C 62a_100000076356_100000757381 [1,1,0,0,0,0|1,0,0]=3 2151 B10R0.4 CCSCCSCOC(=O)C 62a_100000757381_100000076356 [1,1,0,0,0,0|1,0,0]=3 2152 B10R0.4 CCSCOCCOC(=O)C 62a_100000076355_100000210202 [1,1,0,0,0,0|1,0,0]=3 2153 B10R0.4 CCSCOCCOC(=O)C 62a_100000210202_100000076355 [1,1,0,0,0,0|1,0,0]=3 2154 B10R0.4 CNCCCCCNC(=O)C 2230a_200012022750_200000210301 [1,1,0,0,0,0|1,0,0]=3 2155 B10R0.4 CNCCCCCNC(=O)C 34a_200012022750_200000210301 [1,1,0,0,0,0|1,0,0]=3 2156 B10R0.4 CNCCCCCOC(=O)C 2230a_106832991635_100009813381 [1,1,0,0,0,0|0,0,0]=2 2157 B10R0.4 CNCCCCCOC(=O)C 34a_100102657272_100000033007 [1,1,0,0,0,0|0,0,0]=2 2158 B10R0.4 CNCCCCCOC(=O)C 7a_106832991635_100000033007 [1,1,0,0,0,0|0,0,0]=2 2159 B10R0.4 CNCCCCCOC(C)C 34a_100000722520_100000210206 [1,1,0,0,0,0|1,0,1]=4 2160 B10R0.4 CNCCCOCOC(=O)C 34a_100000213112_100009813279 [1,1,0,0,0,0|1,0,0]=3 2161 B10R0.4 CNCCOCCOC(=O)C 2230a_106832991635_200000083610 [1,1,0,0,0,0|1,0,0]=3 2162 B10R0.4 CNCCOCCOC(=O)C 34a_100102657272_200000083610 [1,1,0,0,0,0|1,0,0]=3 2163 B10R0.4 CNCCOCCOC(=O)C 7a_106832991635_200000083610 [1,1,0,0,0,0|1,0,0]=3 2164 B10R0.4 COCCCCCCC(=O)C 1458a_100000070787_100011998445 [1,1,0,0,0,0|1,0,0]=3 2165 B10R0.4 COCCCCCNC(=O)C 11a_100000747528_100015343762 [1,1,0,0,0,0|1,0,0]=3 2166 B10R0.4 COCCCCCNC(=O)C 1626a_100000747528_100015343762 [1,1,0,0,0,0|1,0,0]=3 2167 B10R0.4 COCCCCCNC(=O)C 240690a_100000747528_100015343762 [1,1,0,0,0,0|1,0,0]=3 2168 B10R0.4 COCCCCCNC(=O)C 527a_100000747528_100103153847 [1,1,0,0,0,0|1,0,0]=3 2169 B10R0.4 COCCCCCOC(=O)C 34a_100138415774_100000033007 [1,1,0,0,0,0|0,0,0]=2 2170 B10R0.4 COCCCCOCC(=O)C 34a_100000211253_100000755781 [1,1,0,0,0,0|1,0,0]=3 2171 B10R0.4 COCCCCOCC(=O)N 34a_100000740925_100000187820 [1,1,0,0,0,0|2,0,0]=4 2172 B10R0.4 COCCCCOCC(=O)[O-] 34a_100000740925_100020667443 [1,1,0,0,0,0|2,0,0]=4 2173 B10R0.4 COCCCNCOC(=O)C 34a_100150723488_100009813279 [1,1,0,0,0,0|1,0,0]=3 2174 B10R0.4 COCCCOCCC(=O)C 34a_100000759926_100000740836 [1,1,0,0,0,0|2,0,0]=4 2175 B10R0.4 COCCCOCCC(=O)C 7a_100000759926_100000740836 [1,1,0,0,0,0|2,0,0]=4 2176 B10R0.4 COCCCOCOC(=O)C 34a_100000740835_100009813279 [1,1,0,0,0,0|1,0,0]=3 2177 B10R0.4 COCCCSCCC(=O)C 62a_100000053229_100000709357 [1,1,0,0,0,0|2,0,0]=4 2178 B10R0.4 COCCCSCCC(=O)C 62a_100000709357_100000053229 [1,1,0,0,0,0|2,0,0]=4 2179 B10R0.4 COCCCSCOC(=O)C 62a_100000076356_100000709357 [1,1,0,0,0,0|1,0,0]=3 2180 B10R0.4 COCCCSCOC(=O)C 62a_100000709357_100000076356 [1,1,0,0,0,0|1,0,0]=3 2181 B10R0.4 COCCNCCNC(=O)C 2230a_100000209853_100011201679 [1,1,0,0,0,0|2,0,0]=4 2182 B10R0.4 COCCNCCNC(=O)C 2230a_100000209980_100000189650 [1,1,0,0,0,0|2,0,0]=4 2183 B10R0.4 COCCOCCCC(=O)C 1458a_100000070787_100011216529 [1,1,0,0,0,0|2,0,0]=4 2184 B10R0.4 COCCOCCCC(=O)C 34a_100000210237_100000685027 [1,1,0,0,0,0|2,0,0]=4 2185 B10R0.4 COCCOCCCC(=O)C 34a_100000759063_100011201679 [1,1,0,0,0,0|2,0,0]=4 2186 B10R0.4 COCCOCCCC(=O)C 7a_100000759063_100000233755 [1,1,0,0,0,0|2,0,0]=4 2187 B10R0.4 COCCOCCNC(=O)C 11a_100000745349_100015343762 [1,1,0,0,0,0|2,0,0]=4 2188 B10R0.4 COCCOCCNC(=O)C 1626a_100000745349_100015343762 [1,1,0,0,0,0|2,0,0]=4 2189 B10R0.4 COCCOCCNC(=O)C 240690a_100000745349_100015343762 [1,1,0,0,0,0|2,0,0]=4 2190 B10R0.4 COCCOCCNC(=O)C 34a_100000158858_100011201679 [1,1,0,0,0,0|2,0,0]=4 2191 B10R0.4 COCCOCCNC(=O)C 527a_100000745349_100103153847 [1,1,0,0,0,0|2,0,0]=4 2192 B10R0.4 COCCOCCOC(=O)C 34a_100000210237_100009814007 [1,1,0,0,0,0|1,0,0]=3 2193 B10R0.4 COCCOCCOC(=O)C 34a_100138415774_200000083610 [1,1,0,0,0,0|1,0,0]=3 2194 B10R0.4 COCCOCCOC(=O)N 34a_100000210237_200011214921 [1,1,0,0,0,0|2,0,0]=4 2195 B10R0.4 COCCOCCOC(=O)N 7a_100000766696_100000233755 [1,1,0,0,0,0|2,0,0]=4 2196 B10R0.4 COCCSCCCC(=O)C 62a_100000233755_100011215641 [1,1,0,0,0,0|2,0,0]=4 2197 B10R0.4 COCCSCCCC(=O)C 62a_100011215641_100000233755 [1,1,0,0,0,0|2,0,0]=4 2198 B10R0.4 COCCSCCNC(=O)C 62a_100000189650_100000233755 [1,1,0,0,0,0|2,0,0]=4 2199 B10R0.4 COCCSCCNC(=O)C 62a_100000233755_100000189650 [1,1,0,0,0,0|2,0,0]=4 2200 B10R0.4 COCCSCCOC(=O)C 62a_100000233755_100009814007 [1,1,0,0,0,0|1,0,0]=3 2201 B10R0.4 COCCSCCOC(=O)C 62a_100009814007_100000233755 [1,1,0,0,0,0|1,0,0]=3 2202 B10R0.4 COCCSCCOC(=O)N 62a_100000233755_200011214921 [1,1,0,0,0,0|2,0,0]=4 2203 B10R0.4 COCCSCCOC(=O)N 62a_200011214921_100000233755 [1,1,0,0,0,0|2,0,0]=4 2204 B10R0.4 COCSCCCCC(=O)C 62a_100000735457_100000766300 [1,1,0,0,0,0|2,0,0]=4 2205 B10R0.4 COCSCCCCC(=O)C 62a_100000766300_100000735457 [1,1,0,0,0,0|2,0,0]=4 2206 B10R0.4 COCSCCCOC(=O)C 62a_100000042594_100000766300 [1,1,0,0,0,0|1,0,0]=3 2207 B10R0.4 COCSCCCOC(=O)C 62a_100000766300_100000042594 [1,1,0,0,0,0|1,0,0]=3 2208 B10R0.4 COCSCCCOC(=S)C 62a_100000766300_200135323944 [1,1,0,0,0,0|1,1,0]=4 2209 B10R0.4 COCSCCCOC(=S)C 62a_200135323944_100000766300 [1,1,0,0,0,0|1,1,0]=4 2210 B10R0.4 COCSCCCSC(=O)C 62a_100000038929_100000766300 [1,1,0,0,0,0|1,1,0]=4 2211 B10R0.4 COCSCCCSC(=O)C 62a_100000766300_100000038929 [1,1,0,0,0,0|1,1,0]=4 2212 B10R0.4 CSCCCCCOC(=O)C 62a_100000033007_200000210301 [1,1,0,0,0,0|0,0,0]=2 2213 B10R0.4 CSCCCCCOC(=O)C 62a_200000210301_100000033007 [1,1,0,0,0,0|0,0,0]=2 2214 B10R0.4 CSCCCCOCC(=O)N 34a_100011217163_100000187820 [1,1,0,0,0,0|2,0,0]=4 2215 B10R0.4 CSCCCCOCC(=O)N 7a_100011217163_100000187820 [1,1,0,0,0,0|2,0,0]=4 2216 B10R0.4 CSCCCCOCC(=O)[O-] 34a_100011217163_100020667443 [1,1,0,0,0,0|2,0,0]=4 2217 B10R0.4 CSCCCOCCC(=O)C 7a_100000690336_100000053229 [1,1,0,0,0,0|2,0,0]=4 2218 B10R0.4 CSCCCOCOC(=O)C 34a_100000690336_100009813279 [1,1,0,0,0,0|1,0,0]=3 2219 B10R0.4 CSCCNCCNC(=O)C 2230a_100000209853_100000751147 [1,1,0,0,0,0|2,0,0]=4 2220 B10R0.4 CSCCNCCNC(=O)C 2230a_100020590264_100000189650 [1,1,0,0,0,0|2,0,0]=4 2221 B10R0.4 CSCCOCCCC(=O)C 34a_100000230434_100000685027 [1,1,0,0,0,0|2,0,0]=4 2222 B10R0.4 CSCCOCCCC(=O)C 34a_100000759063_100000212216 [1,1,0,0,0,0|2,0,0]=4 2223 B10R0.4 CSCCOCCCC(=O)C 7a_100000230434_100011215641 [1,1,0,0,0,0|2,0,0]=4 2224 B10R0.4 CSCCOCCCC(=O)C 7a_100000759063_100000212216 [1,1,0,0,0,0|2,0,0]=4 2225 B10R0.4 CSCCOCCNC(=O)C 34a_100000158858_100000212216 [1,1,0,0,0,0|2,0,0]=4 2226 B10R0.4 CSCCOCCNC(=O)C 7a_100000230434_100000189650 [1,1,0,0,0,0|2,0,0]=4 2227 B10R0.4 CSCCOCCOC(=O)C 34a_100000230434_100009814007 [1,1,0,0,0,0|1,0,0]=3 2228 B10R0.4 CSCCOCCOC(=O)C 62a_200000083610_200000210301 [1,1,0,0,0,0|1,0,0]=3 2229 B10R0.4 CSCCOCCOC(=O)C 62a_200000210301_200000083610 [1,1,0,0,0,0|1,0,0]=3 2230 B10R0.4 CSCCOCCOC(=O)C 7a_100000230434_100009814007 [1,1,0,0,0,0|1,0,0]=3 2231 B10R0.4 CSCCOCCOC(=O)N 34a_100000230434_200011214921 [1,1,0,0,0,0|2,0,0]=4 2232 B10R0.4 CSCCOCCOC(=O)N 7a_100000230434_200011214921 [1,1,0,0,0,0|2,0,0]=4 2233 B10R0.4 CSCCOCCOC(=O)N 7a_100000766696_100000212216 [1,1,0,0,0,0|2,0,0]=4 2234 B10R0.4 CSCCSCCCC(=O)C 62a_100000212216_100011215641 [1,1,0,0,0,0|2,0,0]=4 2235 B10R0.4 CSCCSCCCC(=O)C 62a_100011215641_100000751147 [1,1,0,0,0,0|2,0,0]=4 2236 B10R0.4 CSCCSCCNC(=O)C 62a_100000189650_100000751147 [1,1,0,0,0,0|2,0,0]=4 2237 B10R0.4 CSCCSCCNC(=O)C 62a_100000212216_100000189650 [1,1,0,0,0,0|2,0,0]=4 2238 B10R0.4 CSCCSCCOC(=O)C 62a_100000212216_100009814007 [1,1,0,0,0,0|1,0,0]=3 2239 B10R0.4 CSCCSCCOC(=O)C 62a_100009814007_100000751147 [1,1,0,0,0,0|1,0,0]=3 2240 B10R0.4 CSCCSCCOC(=O)N 62a_100000212216_200011214921 [1,1,0,0,0,0|2,0,0]=4 2241 B10R0.4 CSCCSCCOC(=O)N 62a_200011214921_100000751147 [1,1,0,0,0,0|2,0,0]=4 2242 B10R0.4 CSCNCCCNC(=O)C 34a_100000736810_100011218213 [1,1,0,0,0,0|2,0,0]=4 2243 B10R0.4 CSCOCCCNC(=O)C 34a_100000752032_100011218213 [1,1,0,0,0,0|2,0,0]=4 2244 B10R0.4 CSCSCCCCC(=O)C 62a_100000735457_100011218213 [1,1,0,0,0,0|2,0,0]=4 2245 B10R0.4 CSCSCCCCC(=O)C 62a_100011218213_100000735457 [1,1,0,0,0,0|2,0,0]=4 2246 B10R0.4 CSCSCCCOC(=O)C 62a_100000042594_100011218213 [1,1,0,0,0,0|1,0,0]=3 2247 B10R0.4 CSCSCCCOC(=O)C 62a_100011218213_100000042594 [1,1,0,0,0,0|1,0,0]=3 2248 B10R0.4 CSCSCCCOC(=S)C 62a_100011218213_200135323944 [1,1,0,0,0,0|1,1,0]=4 2249 B10R0.4 CSCSCCCOC(=S)C 62a_200135323944_100011218213 [1,1,0,0,0,0|1,1,0]=4 2250 B10R0.4 CSCSCCCSC(=O)C 62a_100000038929_100011218213 [1,1,0,0,0,0|1,1,0]=4 2251 B10R0.4 CSCSCCCSC(=O)C 62a_100011218213_100000038929 [1,1,0,0,0,0|1,1,0]=4 2252 B10R0.4 NC(=O)COCCCCCBr 34a_100000746331_100000187820 [1,1,0,0,0,0|2,0,0]=4 2253 B10R0.4 NC(=O)COCCCCCBr 7a_100000746331_100000187820 [1,1,0,0,0,0|2,0,0]=4 2254 B10R0.4 NC(=O)COCCCCCCl 34a_100000746330_100000187820 [1,1,0,0,0,0|2,0,0]=4 2255 B10R0.4 NC(=O)COCCCCCCl 7a_100000746330_100000187820 [1,1,0,0,0,0|2,0,0]=4 2256 B10R0.4 NC(=O)COCCCCCI 34a_200012148887_100000187820 [1,1,0,0,0,0|2,0,0]=4 2257 B10R0.4 NC(=O)COCCCCCI 7a_200012148887_100000187820 [1,1,0,0,0,0|2,0,0]=4 2258 B10R0.4 NC(=O)OCCNCCCF 34a_100015189416_200011214921 [1,1,0,0,0,0|2,0,0]=4 2259 B10R0.4 NC(=O)OCCOCCCBr 34a_100011217188_200011214921 [1,1,0,0,0,0|2,0,0]=4 2260 B10R0.4 NC(=O)OCCOCCCCl 34a_100000230001_200011214921 [1,1,0,0,0,0|2,0,0]=4 2261 B10R0.4 NC(=O)OCCOCCCF 34a_100000759539_200011214921 [1,1,0,0,0,0|2,0,0]=4 2262 B10R0.4 NC(=O)OCCOCCCF 7a_100000766696_100011934791 [1,1,0,0,0,0|2,0,0]=4 2263 B10R0.4 NC(=O)OCCOCCCO 7a_100000766696_100011215043 [1,1,0,0,0,0|2,0,0]=4 2264 B10R0.4 NC(=O)OCCSCCCF 62a_100011934791_200011214921 [1,1,0,0,0,0|2,0,0]=4 2265 B10R0.4 NC(=O)OCCSCCCF 62a_200011214921_100011934791 [1,1,0,0,0,0|2,0,0]=4 2266 B10R0.4 NC(=O)OCCSCCCO 62a_100011215043_200011214921 [1,1,0,0,0,0|2,0,0]=4 2267 B10R0.4 NC(=O)OCCSCCCO 62a_200011214921_100011215043 [1,1,0,0,0,0|2,0,0]=4 2268 B10R0.4 NCCCCCOCC(=O)N 34a_100000762737_100000187820 [1,1,0,0,0,0|2,0,0]=4 2269 B10R0.4 NCCCCCOCC(=O)[O-] 34a_100000762737_100020667443 [1,1,0,0,0,0|2,0,0]=4 2270 B10R0.4 NCCCOCCOC(=O)N 34a_100000182051_200011214921 [1,1,0,0,0,0|2,0,0]=4 2271 B10R0.4 O=C([O-])COCCCCCBr 34a_100000746331_100020667443 [1,1,0,0,0,0|2,0,0]=4 2272 B10R0.4 O=C([O-])COCCCCCCl 34a_100000746330_100020667443 [1,1,0,0,0,0|2,0,0]=4 2273 B10R0.4 O=C([O-])COCCCCCI 34a_200012148887_100020667443 [1,1,0,0,0,0|2,0,0]=4 2274 B10R0.4 [13CH3]C(=O)CCCCCCCO 1458a_100011219782_200025704644 [1,1,0,0,0,0|1,0,0]=3 2275 B10R0.4 [13CH3]C(=O)COCCOCCO 1458a_106645077154_200025704644 [1,1,0,0,0,0|2,0,0]=4 2276 B10R0.6 CC(=O)OC(C)SCCCF 62a_100009818208_100011934791 [1,1,0,0,0,0|2,0,0]=4 2277 B10R0.6 CC(=O)OC(C)SCCCF 62a_100011934791_100009818208 [1,1,0,0,0,0|2,0,0]=4 2278 B10R0.6 CC(=O)OC(C)SCCCO 62a_100009818208_100011215043 [1,1,0,0,0,0|2,0,0]=4 2279 B10R0.6 CC(=O)OC(C)SCCCO 62a_100011215043_100009818208 [1,1,0,0,0,0|2,0,0]=4 2280 B10R0.6 CCCCCC(=O)CC(=O)C 1458a_100000070787_200012276598 [1,1,0,0,0,0|1,0,1]=4 2281 B10R0.6 CCCCCC(C)NC(=O)C 11a_100000211957_100015343762 [1,1,0,0,0,0|1,0,0]=3 2282 B10R0.6 CCCCCC(C)NC(=O)C 1626a_100000211957_100015343762 [1,1,0,0,0,0|1,0,0]=3 2283 B10R0.6 CCCCCC(C)NC(=O)C 240690a_100000211957_100015343762 [1,1,0,0,0,0|1,0,0]=3 2284 B10R0.6 CCCCCC(C)NC(=O)C 527a_100000211957_100103153847 [1,1,0,0,0,0|1,0,0]=3 2285 B10R0.6 CCCCCC(C)OC(C)C 34a_100000212225_200011218191 [1,1,0,0,0,0|1,0,1]=4 2286 B10R0.6 CCCCCC(C)OC(C)C 34a_100011215632_100000210206 [1,1,0,0,0,0|1,0,1]=4 2287 B10R0.6 CCCCCC(C)OC(C)C 7a_100011215632_100000210206 [1,1,0,0,0,0|1,0,1]=4 2288 B10R0.6 CCCCSC(C)OC(=O)C 62a_100000210211_100009818208 [1,1,0,0,0,0|1,0,0]=3 2289 B10R0.6 CCCCSC(C)OC(=O)C 62a_100009818208_100000210210 [1,1,0,0,0,0|1,0,0]=3 2290 B10R0.6 CCOCSC(C)OC(=O)C 62a_100000739092_100009818208 [1,1,0,0,0,0|2,0,0]=4 2291 B10R0.6 CCOCSC(C)OC(=O)C 62a_100009818208_100000739092 [1,1,0,0,0,0|2,0,0]=4 2292 B10R0.6 COCCSC(C)OC(=O)C 62a_100000233755_100009818208 [1,1,0,0,0,0|2,0,0]=4 2293 B10R0.6 COCCSC(C)OC(=O)C 62a_100009818208_100000233755 [1,1,0,0,0,0|2,0,0]=4 2294 B10R0.6 CSCCSC(C)OC(=O)C 62a_100000212216_100009818208 [1,1,0,0,0,0|2,0,0]=4 2295 B10R0.6 CSCCSC(C)OC(=O)C 62a_100009818208_100000751147 [1,1,0,0,0,0|2,0,0]=4 2296 B10R0.22 CCCCCCNS(=O)(=O)C 40a_100000210581_100000738038 [1,1,0,0,0,0|2,0,0]=4 2297 B10R0.22 CCCCCCOC(C)(C)C 34a_100000210259_100000210625 [1,1,0,0,0,0|1,0,1]=4 2298 B10R0.22 CCCCCCOC(C)(C)C 34a_100015890283_100000210314 [1,1,0,0,0,0|1,0,1]=4 2299 B10R0.22 CCCCCCOC(C)(C)C 7a_100015890283_100000210314 [1,1,0,0,0,0|1,0,1]=4 2300 B10R0.22 CCCOCCOS(=O)(=O)C 34a_100000210258_200000036756 [1,1,0,0,0,0|2,0,0]=4 2301 B10R0.22 CCCSCCOS(=O)(=O)C 62a_100000210303_200000036756 [1,1,0,0,0,0|2,0,0]=4 2302 B10R0.22 CCCSCCOS(=O)(=O)C 62a_200000036756_100000210303 [1,1,0,0,0,0|2,0,0]=4 2303 B10R0.55 CC(=O)OCCCC(=O)CO 1458a_100000210174_100000042594 [1,1,0,0,0,0|1,0,1]=4 2304 B10R0.55 CC(=O)OCCOC(C)CF 34a_100016041109_100009814007 [1,1,0,0,0,0|2,0,0]=4 2305 B10R0.55 CC(=O)OCCOC(C)CF 7a_100016041109_100009814007 [1,1,0,0,0,0|2,0,0]=4 2306 B10R0.55 CC(=O)OCCOC(C)CN 34a_100000210904_100009814007 [1,1,0,0,0,0|2,0,0]=4 2307 B10R0.55 CC(=O)OCCSC(C)CO 62a_100012180447_100009814007 [1,1,0,0,0,0|2,0,0]=4 2308 B10R0.55 CC(=O)OCCS[C@H](C)CO 62a_100009814007_100016084084 [1,1,0,0,0,0|2,0,0]=4 2309 B10R0.55 CC(=O)OCCS[C@H](C)CO 62a_100016084084_100009814007 [1,1,0,0,0,0|2,0,0]=4 2310 B10R0.55 CC(=O)OCNCC(C)CO 34a_100000744482_100009813279 [1,1,0,0,0,0|2,0,0]=4 2311 B10R0.55 CC(=O)OCNC[C@@H](F)CO 34a_100015665980_100009813279 [1,1,0,0,0,0|2,0,0]=4 2312 B10R0.55 CC(=O)OCOCC(C)CN 34a_100000744482_100009813279 [1,1,0,0,0,0|2,0,0]=4 2313 B10R0.55 CC(=O)OCOCC(Cl)CCl 34a_100000033668_100009813279 [1,1,0,0,0,0|2,0,0]=4 2314 B10R0.55 CC(=O)OCOC[C@H](F)CN 34a_100015665980_100009813279 [1,1,0,0,0,0|2,0,0]=4 2315 B10R0.55 CC(=O)OCSCC(O)CO 62a_100000076356_100011219619 [1,1,0,0,0,0|2,0,0]=4 2316 B10R0.55 CC(=O)OCSCC(O)CO 62a_100011219619_100000076356 [1,1,0,0,0,0|2,0,0]=4 2317 B10R0.55 CC(=O)OCSC[C@@H](C)CO 62a_100000059175_100000076356 [1,1,0,0,0,0|2,0,0]=4 2318 B10R0.55 CC(=O)OCSC[C@@H](C)CO 62a_100000076356_100000059175 [1,1,0,0,0,0|2,0,0]=4 2319 B10R0.55 CC(=O)OCSC[C@@H](O)CF 62a_100000076356_100015614560 [1,1,0,0,0,0|2,0,0]=4 2320 B10R0.55 CC(=O)OCSC[C@@H](O)CF 62a_100015614560_100000076356 [1,1,0,0,0,0|2,0,0]=4 2321 B10R0.55 CC(=O)OCSC[C@@H](O)CO 62a_100000076356_100009815848 [1,1,0,0,0,0|2,0,0]=4 2322 B10R0.55 CC(=O)OCSC[C@@H](O)CO 62a_100009815848_100000076356 [1,1,0,0,0,0|2,0,0]=4 2323 B10R0.55 CCC(=O)CCCCC(=O)C 1458a_100000210414_100000735457 [1,1,0,0,0,0|1,0,1]=4 2324 B10R0.55 CCC(=O)CCCNC(=O)C 1458a_100000194741_100000210202 [1,1,0,0,0,0|1,0,1]=4 2325 B10R0.55 CCC(=O)CCCOC(=O)C 1458a_100000210414_100000042594 [1,1,0,0,0,0|0,0,1]=3 2326 B10R0.55 CCC(=O)CCCOC(=S)C 1458a_100000210414_200135323944 [1,1,0,0,0,0|0,1,1]=4 2327 B10R0.55 CCC(=O)CCCSC(=O)C 1458a_100000210414_100000038929 [1,1,0,0,0,0|0,1,1]=4 2328 B10R0.55 CCC(=O)COCOC(=O)C 34a_100000725409_100009813279 [1,1,0,0,0,0|1,0,1]=4 2329 B10R0.55 CCC(=O)CSCOC(=O)C 62a_100000076356_100000747405 [1,1,0,0,0,0|1,0,1]=4 2330 B10R0.55 CCC(=O)CSCOC(=O)C 62a_100000747405_100000076356 [1,1,0,0,0,0|1,0,1]=4 2331 B10R0.55 CCC(=O)NCCOC(=O)C 11a_100000724843_100000210414 [1,1,0,0,0,0|1,0,1]=4 2332 B10R0.55 CCC(=O)NCCOC(=O)C 240690a_100000724843_100000210414 [1,1,0,0,0,0|1,0,1]=4 2333 B10R0.55 CCC(=O)NCCOC(=O)C 527a_100000724843_100000210414 [1,1,0,0,0,0|1,0,1]=4 2334 B10R0.55 CCC(C)CCCOC(C)C 7a_100011216074_100000210206 [1,1,0,0,0,0|1,0,1]=4 2335 B10R0.55 CCC(C)COCCC(=O)C 34a_100000759926_100000748023 [1,1,0,0,0,0|2,0,0]=4 2336 B10R0.55 CCC(C)COCCC(=O)C 7a_100000759926_100000748023 [1,1,0,0,0,0|2,0,0]=4 2337 B10R0.55 CCC(C)CSCCC(=O)C 62a_100000053229_100000748023 [1,1,0,0,0,0|2,0,0]=4 2338 B10R0.55 CCC(C)CSCCC(=O)C 62a_100000748023_100000053229 [1,1,0,0,0,0|2,0,0]=4 2339 B10R0.55 CCC(C)CSCOC(=O)C 62a_100000076356_100000748023 [1,1,0,0,0,0|1,0,0]=3 2340 B10R0.55 CCC(C)CSCOC(=O)C 62a_100000748023_100000076356 [1,1,0,0,0,0|1,0,0]=3 2341 B10R0.55 CCC(C)NCCNC(=O)C 2230a_100000209853_100000758301 [1,1,0,0,0,0|2,0,0]=4 2342 B10R0.55 CCC(C)NCCNC(=O)C 2230a_100000209981_100000189650 [1,1,0,0,0,0|2,0,0]=4 2343 B10R0.55 CCC(C)OCCCC(=O)C 34a_100000759063_100011215416 [1,1,0,0,0,0|2,0,0]=4 2344 B10R0.55 CCC(C)OCCCC(=O)C 7a_100000210228_100011215641 [1,1,0,0,0,0|2,0,0]=4 2345 B10R0.55 CCC(C)OCCCC(=O)C 7a_100000759063_100000758301 [1,1,0,0,0,0|2,0,0]=4 2346 B10R0.55 CCC(C)OCCNC(=O)C 34a_100000158858_100011215416 [1,1,0,0,0,0|2,0,0]=4 2347 B10R0.55 CCC(C)OCCNC(=O)C 7a_100000210228_100000189650 [1,1,0,0,0,0|2,0,0]=4 2348 B10R0.55 CCC(C)OCCOC(=O)C 7a_100000210228_100009814007 [1,1,0,0,0,0|1,0,0]=3 2349 B10R0.55 CCC(C)OCCOC(=O)N 7a_100000210228_200011214921 [1,1,0,0,0,0|2,0,0]=4 2350 B10R0.55 CCC(C)OCCOC(=O)N 7a_100000766696_100000758301 [1,1,0,0,0,0|2,0,0]=4 2351 B10R0.55 CCC(C)SCCCC(=O)C 62a_100000758301_100011215641 [1,1,0,0,0,0|2,0,0]=4 2352 B10R0.55 CCC(C)SCCCC(=O)C 62a_100011215641_100000758301 [1,1,0,0,0,0|2,0,0]=4 2353 B10R0.55 CCC(C)SCCNC(=O)C 62a_100000189650_100000758301 [1,1,0,0,0,0|2,0,0]=4 2354 B10R0.55 CCC(C)SCCNC(=O)C 62a_100000758301_100000189650 [1,1,0,0,0,0|2,0,0]=4 2355 B10R0.55 CCC(C)SCCOC(=O)C 62a_100000758301_100009814007 [1,1,0,0,0,0|1,0,0]=3 2356 B10R0.55 CCC(C)SCCOC(=O)C 62a_100009814007_100000758301 [1,1,0,0,0,0|1,0,0]=3 2357 B10R0.55 CCC(C)SCCOC(=O)N 62a_100000758301_200011214921 [1,1,0,0,0,0|2,0,0]=4 2358 B10R0.55 CCC(C)SCCOC(=O)N 62a_200011214921_100000758301 [1,1,0,0,0,0|2,0,0]=4 2359 B10R0.55 CCC(O)COCCC(=O)C 34a_100000759926_100011218378 [1,1,0,0,0,0|2,0,0]=4 2360 B10R0.55 CCC(O)COCCC(=O)C 7a_100000759926_100011218378 [1,1,0,0,0,0|2,0,0]=4 2361 B10R0.55 CCC(O)CSCCC(=O)C 62a_100000053229_100011218378 [1,1,0,0,0,0|2,0,0]=4 2362 B10R0.55 CCC(O)CSCCC(=O)C 62a_100011218378_100000053229 [1,1,0,0,0,0|2,0,0]=4 2363 B10R0.55 CCC(O)CSCOC(=O)C 62a_100000076356_100011218378 [1,1,0,0,0,0|1,0,0]=3 2364 B10R0.55 CCC(O)CSCOC(=O)C 62a_100011218378_100000076356 [1,1,0,0,0,0|1,0,0]=3 2365 B10R0.55 CCN(C)CCCCC(=O)C 269982a_100000225621_100000735457 [1,1,0,0,0,0|2,0,0]=4 2366 B10R0.55 CCN(C)CCCOC(=O)C 269982a_100000225621_100000042594 [1,1,0,0,0,0|1,0,0]=3 2367 B10R0.55 CCN(C)CCCOC(=S)C 2230a_100000225621_200135323944 [1,1,0,0,0,0|1,1,0]=4 2368 B10R0.55 CCN(C)CCCOC(=S)C 269982a_100000225621_200135323944 [1,1,0,0,0,0|1,1,0]=4 2369 B10R0.55 CCN(C)CCCSC(=O)C 2230a_100000225621_100000038929 [1,1,0,0,0,0|1,1,0]=4 2370 B10R0.55 CCN(C)CCCSC(=O)C 269982a_100000225621_100000038929 [1,1,0,0,0,0|1,1,0]=4 2371 B10R0.55 CC[C@H](C)COCCC(=O)C 34a_100000759926_100009816398 [1,1,0,0,0,0|2,0,0]=4 2372 B10R0.55 CC[C@H](C)COCCC(=O)C 7a_100000759926_100009816398 [1,1,0,0,0,0|2,0,0]=4 2373 B10R0.55 CC[C@H](C)COCCC(=O)C 7a_100009816381_100000053229 [1,1,0,0,0,0|2,0,0]=4 2374 B10R0.55 CC[C@H](C)CSCCC(=O)C 62a_100000053229_100009816398 [1,1,0,0,0,0|2,0,0]=4 2375 B10R0.55 CC[C@H](C)CSCCC(=O)C 62a_100009816398_100000053229 [1,1,0,0,0,0|2,0,0]=4 2376 B10R0.55 CC[C@H](C)CSCOC(=O)C 62a_100000076356_100009816398 [1,1,0,0,0,0|1,0,0]=3 2377 B10R0.55 CC[C@H](C)CSCOC(=O)C 62a_100009816398_100000076356 [1,1,0,0,0,0|1,0,0]=3 2378 B10R0.55 COC(C)COCOC(=O)C 34a_100000690652_100009813279 [1,1,0,0,0,0|2,0,0]=4 2379 B10R0.55 COC(C)SCCOC(=O)C 62a_100009814007_100009879195 [1,1,0,0,0,0|2,0,0]=4 2380 B10R0.55 COC(C)SCCOC(=O)C 62a_100009879195_100009814007 [1,1,0,0,0,0|2,0,0]=4 2381 B10R0.74 C#CC(=O)CCCCCCC 1458a_100000211873_100000210614 [1,1,0,0,0,0|1,0,1]=4 2382 B10R0.74 C#CC(C)OCCCCCC 34a_100000210259_200000035995 [1,1,0,0,0,0|1,0,1]=4 2383 B10R0.74 C#C[C@@H](C)OCCCCCC 34a_100009815206_100000210314 [1,1,0,0,0,0|1,0,1]=4 2384 B10R0.74 C#C[C@@H](C)OCCCCCC 7a_100009815206_100000210314 [1,1,0,0,0,0|1,0,1]=4 2385 B10R0.74 C=CC(=O)CCCCCCC 1458a_100000185746_100000210614 [1,1,0,0,0,0|1,0,1]=4 2386 B10R0.74 C=CC(=O)NCCCCCC 1626a_100000210581_100000185746 [1,1,0,0,0,0|1,0,1]=4 2387 B10R0.74 C=CC(=O)NCCCCCC 240690a_100000210581_200121576911 [1,1,0,0,0,0|1,0,1]=4 2388 B10R0.74 C=CC(=O)OCCOCCC 34a_100000210258_100009813456 [1,1,0,0,0,0|1,0,1]=4 2389 B10R0.74 C=CC(=O)OCCSCCC 62a_100000210303_100009813456 [1,1,0,0,0,0|1,0,1]=4 2390 B10R0.74 C=CC(=O)OCCSCCC 62a_100009813456_100000210303 [1,1,0,0,0,0|1,0,1]=4 2391 B10R0.74 C=CC(C)OCCCCCC 34a_100000695699_100000210314 [1,1,0,0,0,0|1,0,1]=4 2392 B10R0.74 CCC(=O)CCCCCCF 1458a_100000210414_100015922095 [1,1,0,0,0,0|2,0,0]=4 2393 B10R0.74 CCC(=O)CCCCCCO 1458a_100000210414_100000766143 [1,1,0,0,0,0|2,0,0]=4 2394 B10R0.74 CCC(=O)CCCCCCO 1458a_100011996774_100000210202 [1,1,0,0,0,0|2,0,0]=4 2395 B10R0.74 CCC(=O)CCCCCOC 1458a_100011935119_100000210202 [1,1,0,0,0,0|2,0,0]=4 2396 B10R0.74 CCC(=O)NCCCCCO 240690a_100000762737_100000210414 [1,1,0,0,0,0|2,0,0]=4 2397 B10R0.74 CCC(=O)OCCOCCF 7a_200000031056_100011217306 [1,1,0,0,0,0|2,0,0]=4 2398 B10R0.74 CCC(=O)OCCOCCO 7a_200000031056_100000211926 [1,1,0,0,0,0|2,0,0]=4 2399 B10R0.74 CCCCCC#CC(=O)CC 1458a_100011215388_100000210202 [1,1,0,0,0,0|1,0,1]=4 2400 B10R0.74 CCCCCC#CC(=O)CF 1458a_100011215388_100015361967 [1,1,0,0,0,0|1,0,1]=4 2401 B10R0.74 CCCCCC#CC(=O)NC 240690a_100102657272_100011215388 [1,1,0,0,0,0|1,0,1]=4 2402 B10R0.74 CCCCCC=CC(=O)CC 1458a_100016263427_100000210202 [1,1,0,0,0,0|1,0,1]=4 2403 B10R0.74 CCCCCC=CC(=O)CF 1458a_100016263427_100015361967 [1,1,0,0,0,0|1,0,1]=4 2404 B10R0.74 CCCCCC=CC(=O)NC 11a_106832991635_100016263427 [1,1,0,0,0,0|1,0,1]=4 2405 B10R0.74 CCCCCC=CC(=O)NC 1626a_100102657272_100016263427 [1,1,0,0,0,0|1,0,1]=4 2406 B10R0.74 CCCCCC=CC(=O)NC 240690a_100102657272_100016263427 [1,1,0,0,0,0|1,0,1]=4 2407 B10R0.74 CCCCCCCC(=O)CC 1458a_100000210414_100000210614 [1,1,0,0,0,0|1,0,0]=3 2408 B10R0.74 CCCCCCCC(=O)CC 1458a_100000211969_100000210202 [1,1,0,0,0,0|1,0,0]=3 2409 B10R0.74 CCCCCCCC(=O)CF 1458a_100000211969_100015361967 [1,1,0,0,0,0|1,0,0]=3 2410 B10R0.74 CCCCCCCC(=O)CO 1458a_100000210174_100000210614 [1,1,0,0,0,0|1,0,0]=3 2411 B10R0.74 CCCCCCCC(=O)NC 11a_106832991635_100000211969 [1,1,0,0,0,0|1,0,0]=3 2412 B10R0.74 CCCCCCCC(=O)NC 1626a_100102657272_100000211969 [1,1,0,0,0,0|1,0,0]=3 2413 B10R0.74 CCCCCCCC(=O)NC 240690a_100102657272_100000211969 [1,1,0,0,0,0|1,0,0]=3 2414 B10R0.74 CCCCCCCC(=O)NC 527a_100102657272_100000211969 [1,1,0,0,0,0|1,0,0]=3 2415 B10R0.74 CCCCCCNC(=O)CC 11a_100000210581_100000210414 [1,1,0,0,0,0|1,0,0]=3 2416 B10R0.74 CCCCCCNC(=O)CC 1626a_100000210581_100000210414 [1,1,0,0,0,0|1,0,0]=3 2417 B10R0.74 CCCCCCNC(=O)CC 240690a_100000210581_100000210414 [1,1,0,0,0,0|1,0,0]=3 2418 B10R0.74 CCCCCCNC(=O)CC 527a_100000210581_100000210414 [1,1,0,0,0,0|1,0,0]=3 2419 B10R0.74 CCCCCCNC(=O)CO 240690a_100000210581_100000210174 [1,1,0,0,0,0|1,0,0]=3 2420 B10R0.74 CCCCCCNC(=O)CO 527a_100000210581_100000210174 [1,1,0,0,0,0|1,0,0]=3 2421 B10R0.74 CCCCCCNC(=O)NC 2708a_100000210581_106832991635 [1,1,0,0,0,0|1,0,0]=3 2422 B10R0.74 CCCCCCNC(=O)NC 2708a_100102657272_100000210581 [1,1,0,0,0,0|1,0,0]=3 2423 B10R0.74 CCCCCCNC(=O)NC 273464a_100000210581_100102657272 [1,1,0,0,0,0|1,0,0]=3 2424 B10R0.74 CCCCCCNC(=O)NC 273464a_100102657272_100000210581 [1,1,0,0,0,0|1,0,0]=3 2425 B10R0.74 CCCCCCNC(=O)NC 512a_100000210581_100102657272 [1,1,0,0,0,0|1,0,0]=3 2426 B10R0.74 CCCCCCNC(=O)NC 512a_106832991638_100000210581 [1,1,0,0,0,0|1,0,0]=3 2427 B10R0.74 CCCCCCOC(C)C#N 34a_100011218135_100000210314 [1,1,0,0,0,0|1,0,1]=4 2428 B10R0.74 CCCCCCOC(C)C#N 7a_100000210259_100000703298 [1,1,0,0,0,0|1,0,1]=4 2429 B10R0.74 CCCCCCOC(C)CC 34a_100000210259_100011215416 [1,1,0,0,0,0|1,0,1]=4 2430 B10R0.74 CCCCCCOC(C)CC 7a_100000210228_100000210314 [1,1,0,0,0,0|1,0,1]=4 2431 B10R0.74 CCCCCCOC(C)CC 7a_100000210259_100000758301 [1,1,0,0,0,0|1,0,1]=4 2432 B10R0.74 CCCCCCOC(C)CF 34a_100016041109_100000210314 [1,1,0,0,0,0|1,0,1]=4 2433 B10R0.74 CCCCCCOC(C)CF 7a_100016041109_100000210314 [1,1,0,0,0,0|1,0,1]=4 2434 B10R0.74 CCCCCCOC(C)CN 34a_100000210904_100000210314 [1,1,0,0,0,0|1,0,1]=4 2435 B10R0.74 CCCCCCOC(C)CO 34a_100000210259_100012180447 [1,1,0,0,0,0|0,0,2]=4 2436 B10R0.74 CCCCCCOC(C)CO 7a_100000210259_100012180447 [1,1,0,0,0,0|0,0,2]=4 2437 B10R0.74 CCCCCNCC(=O)NC 2230a_100000209983_100000183359 [1,1,0,0,0,0|2,0,0]=4 2438 B10R0.74 CCCCCNCC(=O)NC 2230a_100000693194_100000210326 [1,1,0,0,0,0|2,0,0]=4 2439 B10R0.74 CCCCCNCC(=O)OC 2230a_100000209983_100000747449 [1,1,0,0,0,0|2,0,0]=4 2440 B10R0.74 CCCCCNNC(=O)CC 22a_100000694160_100000210414 [1,1,0,0,0,0|2,0,0]=4 2441 B10R0.74 CCCCCNNC(=O)CO 22a_100000694160_100000210174 [1,1,0,0,0,0|2,0,0]=4 2442 B10R0.74 CCCCCNNC(=O)NC 273464a_100102657272_100000694160 [1,1,0,0,0,0|2,0,0]=4 2443 B10R0.74 CCCCCNNC(=O)NC 512a_100000694160_100102657272 [1,1,0,0,0,0|2,0,0]=4 2444 B10R0.74 CCCCCNNC(=O)NC 512a_106832991638_100000694160 [1,1,0,0,0,0|2,0,0]=4 2445 B10R0.74 CCCCCOCC(=O)CC 34a_100000725409_100000718602 [1,1,0,0,0,0|2,0,0]=4 2446 B10R0.74 CCCCCOCC(=O)CC 7a_100000210253_100000747405 [1,1,0,0,0,0|2,0,0]=4 2447 B10R0.74 CCCCCOCC(=O)NC 34a_100000210253_100000183359 [1,1,0,0,0,0|2,0,0]=4 2448 B10R0.74 CCCCCOCC(=O)NC 34a_100000750040_100000718602 [1,1,0,0,0,0|2,0,0]=4 2449 B10R0.74 CCCCCOCC(=O)NC 7a_100000210253_100000183359 [1,1,0,0,0,0|2,0,0]=4 2450 B10R0.74 CCCCCOCC(=O)OC 34a_100000210253_100000747449 [1,1,0,0,0,0|2,0,0]=4 2451 B10R0.74 CCCCCOCC(=O)OC 7a_100000210253_100000747449 [1,1,0,0,0,0|2,0,0]=4 2452 B10R0.74 CCCCCSCC(=O)CC 62a_100000210326_100000747405 [1,1,0,0,0,0|2,0,0]=4 2453 B10R0.74 CCCCCSCC(=O)CC 62a_100000747405_100000210326 [1,1,0,0,0,0|2,0,0]=4 2454 B10R0.74 CCCCCSCC(=O)NC 62a_100000183359_100000210326 [1,1,0,0,0,0|2,0,0]=4 2455 B10R0.74 CCCCCSCC(=O)NC 62a_100000210326_100000183359 [1,1,0,0,0,0|2,0,0]=4 2456 B10R0.74 CCCCCSCC(=O)OC 62a_100000210326_100000747449 [1,1,0,0,0,0|2,0,0]=4 2457 B10R0.74 CCCCCSCC(=O)OC 62a_100000747449_100000210326 [1,1,0,0,0,0|2,0,0]=4 2458 B10R0.74 CCCCNCCC(=O)NC 2230a_100000102301_100000737683 [1,1,0,0,0,0|2,0,0]=4 2459 B10R0.74 CCCCNCCC(=O)NC 2230a_100000738227_100000210211 [1,1,0,0,0,0|2,0,0]=4 2460 B10R0.74 CCCCNCCC(=O)NC 34a_100000738227_100000210210 [1,1,0,0,0,0|2,0,0]=4 2461 B10R0.74 CCCCNCCC(=O)NC 7a_106832991798_100000737683 [1,1,0,0,0,0|2,0,0]=4 2462 B10R0.74 CCCCNCCC(=O)OC 2230a_100000102301_100000204255 [1,1,0,0,0,0|2,0,0]=4 2463 B10R0.74 CCCCNCCC(=O)OC 7a_106832991798_100000204255 [1,1,0,0,0,0|2,0,0]=4 2464 B10R0.74 CCCCOCCC(=O)CC 1458a_100000210414_100000743108 [1,1,0,0,0,0|2,0,0]=4 2465 B10R0.74 CCCCOCCC(=O)CO 1458a_100000210174_100000743108 [1,1,0,0,0,0|2,0,0]=4 2466 B10R0.74 CCCCOCCC(=O)NC 34a_100000210227_100012179268 [1,1,0,0,0,0|2,0,0]=4 2467 B10R0.74 CCCCOCCC(=O)NC 34a_100000754576_100000210210 [1,1,0,0,0,0|2,0,0]=4 2468 B10R0.74 CCCCOCCC(=O)NC 7a_100000210227_100000737683 [1,1,0,0,0,0|2,0,0]=4 2469 B10R0.74 CCCCOCCC(=O)OC 34a_100000210227_100000742370 [1,1,0,0,0,0|2,0,0]=4 2470 B10R0.74 CCCCOCCC(=O)OC 7a_100000210227_100000204255 [1,1,0,0,0,0|2,0,0]=4 2471 B10R0.74 CCCCSCCC(=O)NC 62a_100000210211_100000737683 [1,1,0,0,0,0|2,0,0]=4 2472 B10R0.74 CCCCSCCC(=O)NC 62a_100000737683_100000210210 [1,1,0,0,0,0|2,0,0]=4 2473 B10R0.74 CCCCSCCC(=O)OC 62a_100000204255_100000210210 [1,1,0,0,0,0|2,0,0]=4 2474 B10R0.74 CCCCSCCC(=O)OC 62a_100000210211_100000204255 [1,1,0,0,0,0|2,0,0]=4 2475 B10R0.74 CCCCSCOC(=O)OC 62a_100000210211_100000139417 [1,1,0,0,0,0|1,0,0]=3 2476 B10R0.74 CCCNCCCC(=O)NC 2230a_100000740002_100000210303 [1,1,0,0,0,0|2,0,0]=4 2477 B10R0.74 CCCNCCCC(=O)NC 34a_100000740002_100000210303 [1,1,0,0,0,0|2,0,0]=4 2478 B10R0.74 CCCNCCNC(=O)CC 34a_100132302217_100000210303 [1,1,0,0,0,0|2,0,0]=4 2479 B10R0.74 CCCNCCNC(=O)NC 34a_100015205895_100000210303 [1,1,0,0,0,0|2,0,0]=4 2480 B10R0.74 CCCOCCCC(=O)NC 34a_100000210258_100000741757 [1,1,0,0,0,0|2,0,0]=4 2481 B10R0.74 CCCOCCCC(=O)OC 34a_100000210258_100000742333 [1,1,0,0,0,0|2,0,0]=4 2482 B10R0.74 CCCOCCNC(=O)CC 1626a_100161115042_100000210414 [1,1,0,0,0,0|2,0,0]=4 2483 B10R0.74 CCCOCCNC(=O)CC 240690a_100161115042_100000210414 [1,1,0,0,0,0|2,0,0]=4 2484 B10R0.74 CCCOCCNC(=O)CC 34a_200000158885_100000210303 [1,1,0,0,0,0|2,0,0]=4 2485 B10R0.74 CCCOCCNC(=O)CC 527a_100161115042_100000210414 [1,1,0,0,0,0|2,0,0]=4 2486 B10R0.74 CCCOCCNC(=O)CC 7a_200000158885_100000210303 [1,1,0,0,0,0|2,0,0]=4 2487 B10R0.74 CCCOCCNC(=O)CO 240690a_100161115042_100000210174 [1,1,0,0,0,0|2,0,0]=4 2488 B10R0.74 CCCOCCNC(=O)CO 527a_100161115042_100000210174 [1,1,0,0,0,0|2,0,0]=4 2489 B10R0.74 CCCOCCNC(=O)NC 2708a_100102657272_100161115042 [1,1,0,0,0,0|2,0,0]=4 2490 B10R0.74 CCCOCCNC(=O)NC 2708a_100161115042_106832991635 [1,1,0,0,0,0|2,0,0]=4 2491 B10R0.74 CCCOCCNC(=O)NC 273464a_100102657272_100161115042 [1,1,0,0,0,0|2,0,0]=4 2492 B10R0.74 CCCOCCNC(=O)NC 273464a_100161115042_100102657272 [1,1,0,0,0,0|2,0,0]=4 2493 B10R0.74 CCCOCCNC(=O)NC 512a_100161115042_100102657272 [1,1,0,0,0,0|2,0,0]=4 2494 B10R0.74 CCCOCCNC(=O)NC 512a_106832991638_100161115042 [1,1,0,0,0,0|2,0,0]=4 2495 B10R0.74 CCCOCCNC(=O)OC 34a_100000757965_100000210303 [1,1,0,0,0,0|2,0,0]=4 2496 B10R0.74 CCCOCCOC(=O)CC 7a_200000031056_100000210303 [1,1,0,0,0,0|1,0,0]=3 2497 B10R0.74 CCCOCCOC(=O)NC 34a_100000210258_200011997002 [1,1,0,0,0,0|1,0,0]=3 2498 B10R0.74 CCCOCCOC(=O)OC 34a_100010262106_100000210303 [1,1,0,0,0,0|1,0,0]=3 2499 B10R0.74 CCCSCCCC(=O)NC 62a_100000210303_100000741757 [1,1,0,0,0,0|2,0,0]=4 2500 B10R0.74 CCCSCCCC(=O)NC 62a_100000741757_100000210303 [1,1,0,0,0,0|2,0,0]=4 2501 B10R0.74 CCCSCCCC(=O)OC 62a_100000210303_100011218270 [1,1,0,0,0,0|2,0,0]=4 2502 B10R0.74 CCCSCCCC(=O)OC 62a_100011218270_100000210303 [1,1,0,0,0,0|2,0,0]=4 2503 B10R0.74 CCCSCCNC(=O)CC 11a_100020603323_100000210414 [1,1,0,0,0,0|2,0,0]=4 2504 B10R0.74 CCCSCCNC(=O)CC 240690a_100020603323_100000210414 [1,1,0,0,0,0|2,0,0]=4 2505 B10R0.74 CCCSCCNC(=O)CC 527a_100020603323_100000210414 [1,1,0,0,0,0|2,0,0]=4 2506 B10R0.74 CCCSCCNC(=O)CO 240690a_100020603323_100000210174 [1,1,0,0,0,0|2,0,0]=4 2507 B10R0.74 CCCSCCNC(=O)CO 527a_100020603323_100000210174 [1,1,0,0,0,0|2,0,0]=4 2508 B10R0.74 CCCSCCNC(=O)NC 2708a_100020603323_106832991635 [1,1,0,0,0,0|2,0,0]=4 2509 B10R0.74 CCCSCCNC(=O)NC 2708a_100102657272_100020603323 [1,1,0,0,0,0|2,0,0]=4 2510 B10R0.74 CCCSCCNC(=O)NC 273464a_100020603323_100102657272 [1,1,0,0,0,0|2,0,0]=4 2511 B10R0.74 CCCSCCNC(=O)NC 273464a_100102657272_100020603323 [1,1,0,0,0,0|2,0,0]=4 2512 B10R0.74 CCCSCCNC(=O)NC 512a_100020603323_100102657272 [1,1,0,0,0,0|2,0,0]=4 2513 B10R0.74 CCCSCCNC(=O)NC 512a_106832991638_100020603323 [1,1,0,0,0,0|2,0,0]=4 2514 B10R0.74 CCCSCCOC(=O)NC 62a_100000210303_200011997002 [1,1,0,0,0,0|1,0,0]=3 2515 B10R0.74 CCCSCCOC(=O)NC 62a_200011997002_100000210303 [1,1,0,0,0,0|1,0,0]=3 2516 B10R0.74 CCNCCCCC(=O)OC 2230a_100015525214_100000204269 [1,1,0,0,0,0|2,0,0]=4 2517 B10R0.74 CCOCCCCC(=O)OC 34a_100000059025_100000210202 [1,1,0,0,0,0|2,0,0]=4 2518 B10R0.74 CCOCCCCC(=O)OC 34a_100121572206_100000204269 [1,1,0,0,0,0|2,0,0]=4 2519 B10R0.74 CCOCCCCC(=O)OC 7a_100000059025_100000210202 [1,1,0,0,0,0|2,0,0]=4 2520 B10R0.74 CCOCCCNC(=O)CC 11a_100000210961_100000210414 [1,1,0,0,0,0|2,0,0]=4 2521 B10R0.74 CCOCCCNC(=O)CC 1626a_100000210961_100000210414 [1,1,0,0,0,0|2,0,0]=4 2522 B10R0.74 CCOCCCNC(=O)CC 240690a_100000210961_100000210414 [1,1,0,0,0,0|2,0,0]=4 2523 B10R0.74 CCOCCCNC(=O)CC 527a_100000210961_100000210414 [1,1,0,0,0,0|2,0,0]=4 2524 B10R0.74 CCOCCCNC(=O)CO 240690a_100000210961_100000210174 [1,1,0,0,0,0|2,0,0]=4 2525 B10R0.74 CCOCCCNC(=O)CO 527a_100000210961_100000210174 [1,1,0,0,0,0|2,0,0]=4 2526 B10R0.74 CCOCCCNC(=O)NC 2708a_100000210961_106832991635 [1,1,0,0,0,0|2,0,0]=4 2527 B10R0.74 CCOCCCNC(=O)NC 2708a_100102657272_100000210961 [1,1,0,0,0,0|2,0,0]=4 2528 B10R0.74 CCOCCCNC(=O)NC 273464a_100000210961_100102657272 [1,1,0,0,0,0|2,0,0]=4 2529 B10R0.74 CCOCCCNC(=O)NC 273464a_100102657272_100000210961 [1,1,0,0,0,0|2,0,0]=4 2530 B10R0.74 CCOCCCNC(=O)NC 512a_100000210961_100102657272 [1,1,0,0,0,0|2,0,0]=4 2531 B10R0.74 CCOCCCNC(=O)NC 512a_106832991638_100000210961 [1,1,0,0,0,0|2,0,0]=4 2532 B10R0.74 CCOCSCOC(=O)OC 62a_100000739092_100000139417 [1,1,0,0,0,0|2,0,0]=4 2533 B10R0.74 CCSCCCCC(=O)OC 62a_100000204269_100000210202 [1,1,0,0,0,0|2,0,0]=4 2534 B10R0.74 CCSCCCCC(=O)OC 62a_100000210202_100000204269 [1,1,0,0,0,0|2,0,0]=4 2535 B10R0.74 CNC(=O)CCCCCCO 240690a_100102657272_100011996774 [1,1,0,0,0,0|2,0,0]=4 2536 B10R0.74 CNC(=O)CCCCCOC 11a_106832991635_100011935119 [1,1,0,0,0,0|2,0,0]=4 2537 B10R0.74 CNC(=O)CCCCCOC 1626a_100102657272_100011935119 [1,1,0,0,0,0|2,0,0]=4 2538 B10R0.74 CNC(=O)CCCCCOC 240690a_100102657272_100011935119 [1,1,0,0,0,0|2,0,0]=4 2539 B10R0.74 CNC(=O)CCCCCOC 527a_100102657272_100011935119 [1,1,0,0,0,0|2,0,0]=4 2540 B10R0.74 CNC(=O)NCCCCCO 2708a_100102657272_100000762737 [1,1,0,0,0,0|2,0,0]=4 2541 B10R0.74 CNC(=O)NCCCCCO 273464a_100000762737_100102657272 [1,1,0,0,0,0|2,0,0]=4 2542 B10R0.74 CNC(=O)NCCCCCO 273464a_100102657272_100000762737 [1,1,0,0,0,0|2,0,0]=4 2543 B10R0.74 CNC(=O)NCCCCCO 512a_100000762737_100102657272 [1,1,0,0,0,0|2,0,0]=4 2544 B10R0.74 CNC(=O)NCCCCCO 512a_106832991638_100000762737 [1,1,0,0,0,0|2,0,0]=4 2545 B10R0.74 CNC(=O)OCCNCCF 34a_100000724931_200011997002 [1,1,0,0,0,0|2,0,0]=4 2546 B10R0.74 CNC(=O)OCCNCCO 34a_100016990907_200011997002 [1,1,0,0,0,0|2,0,0]=4 2547 B10R0.74 CNC(=O)OCCOCCBr 34a_100000211926_200011997002 [1,1,0,0,0,0|2,0,0]=4 2548 B10R0.74 CNC(=O)OCCOCCN 34a_100000210304_200011997002 [1,1,0,0,0,0|2,0,0]=4 2549 B10R0.74 CNC(=O)OCCSCCF 62a_100011217306_200011997002 [1,1,0,0,0,0|2,0,0]=4 2550 B10R0.74 CNC(=O)OCCSCCF 62a_200011997002_100011217306 [1,1,0,0,0,0|2,0,0]=4 2551 B10R0.74 CNC(=O)OCCSCCO 62a_100000211926_200011997002 [1,1,0,0,0,0|2,0,0]=4 2552 B10R0.74 CNC(=O)OCCSCCO 62a_200011997002_100000211926 [1,1,0,0,0,0|2,0,0]=4 2553 B10R0.74 CNC(=O)OCCSCOC 62a_100000766300_200011997002 [1,1,0,0,0,0|2,0,0]=4 2554 B10R0.74 CNC(=O)OCCSCOC 62a_200011997002_100000766300 [1,1,0,0,0,0|2,0,0]=4 2555 B10R0.74 CNC(=O)OCCSCSC 62a_100011218213_200011997002 [1,1,0,0,0,0|2,0,0]=4 2556 B10R0.74 CNC(=O)OCCSCSC 62a_200011997002_100011218213 [1,1,0,0,0,0|2,0,0]=4 2557 B10R0.74 CNCCCCCC(=O)OC 2230a_106832991635_100009816466 [1,1,0,0,0,0|2,0,0]=4 2558 B10R0.74 CNCCCCCC(=O)OC 34a_100102657272_100009816466 [1,1,0,0,0,0|2,0,0]=4 2559 B10R0.74 CNCCCCCC(=O)OC 7a_106832991635_100009816466 [1,1,0,0,0,0|2,0,0]=4 2560 B10R0.74 COC(=O)CCCCCO[13CH3] 34a_100000074720_200025704644 [1,1,0,0,0,0|2,0,0]=4 2561 B10R0.74 COC(=O)CCCCCO[13CH3] 7a_100000074720_200025704644 [1,1,0,0,0,0|2,0,0]=4 2562 B10R0.74 COC(=O)CCCCCSC 62a_100009816466_200000210301 [1,1,0,0,0,0|2,0,0]=4 2563 B10R0.74 COC(=O)CCCCCSC 62a_200000210301_100009816466 [1,1,0,0,0,0|2,0,0]=4 2564 B10R0.74 COC(=O)CCCCCS[13CH3] 62a_100009816466_200025704644 [1,1,0,0,0,0|2,0,0]=4 2565 B10R0.74 COC(=O)CCCCCS[13CH3] 62a_200025704644_100009816466 [1,1,0,0,0,0|2,0,0]=4 2566 B10R0.74 COC(=O)OCCOCCF 34a_100010262106_100011217306 [1,1,0,0,0,0|2,0,0]=4 2567 B10R0.74 COC(=O)OCCOCCO 34a_100010262106_100000211926 [1,1,0,0,0,0|2,0,0]=4 2568 B10R0.74 COC(=O)OCCOCSC 34a_100010262106_100011218213 [1,1,0,0,0,0|2,0,0]=4 2569 B10R0.74 COC(=O)OCSCCCF 62a_100011934791_100000139417 [1,1,0,0,0,0|2,0,0]=4 2570 B10R0.74 COC(=O)OCSCCCO 62a_100011215043_100000139417 [1,1,0,0,0,0|2,0,0]=4 2571 B10R0.74 COC(=O)OCSCCSC 62a_100000212216_100000139417 [1,1,0,0,0,0|2,0,0]=4 2572 B10R0.74 COCCCCCC(=O)CF 1458a_100011935119_100015361967 [1,1,0,0,0,0|2,0,0]=4 2573 B10R0.74 COCCCCCC(=O)OC 34a_100000074720_200000210301 [1,1,0,0,0,0|2,0,0]=4 2574 B10R0.74 COCCCCCC(=O)OC 34a_100138415774_100009816466 [1,1,0,0,0,0|2,0,0]=4 2575 B10R0.74 COCCCCCC(=O)OC 7a_100000074720_200000210301 [1,1,0,0,0,0|2,0,0]=4 2576 B10R0.74 COCCSCOC(=O)OC 62a_100000233755_100000139417 [1,1,0,0,0,0|2,0,0]=4 2577 B10R0.74 O=C(CF)CCCCCCO 1458a_100011996774_100015361967 [1,1,0,0,0,0|2,0,0]=4 2578 B10R0.74 O=C(CO)CCCCCCF 1458a_100000210174_100015922095 [1,1,0,0,0,0|2,0,0]=4 2579 B10R0.74 O=C(CO)CCCCCCO 1458a_100000210174_100000766143 [1,1,0,0,0,0|2,0,0]=4 2580 B10R0.74 O=C(CO)NCCCCCO 240690a_100000762737_100000210174 [1,1,0,0,0,0|2,0,0]=4 2581 B10R0.75 C=C(C)C(=O)CCCCCC 1458a_100000185857_100000210757 [1,1,0,0,0,0|2,0,0]=4 2582 B10R0.75 CC(=O)N(C)CCCCCO 240690a_100000722520_100015343762 [1,1,0,0,0,0|2,0,0]=4 2583 B10R0.75 CCCCCCC(C)C(=O)C 1458a_100000070787_100011215978 [1,1,0,0,0,0|1,0,0]=3 2584 B10R0.75 CCCCCCC(O)C(=O)C 1458a_100011215828_200000210301 [1,1,0,0,0,0|1,0,0]=3 2585 B10R0.75 CCCCCCC(O)C(=O)[13CH3] 1458a_100011215828_200025704644 [1,1,0,0,0,0|1,0,0]=3 2586 B10R0.75 CCCCCCN(C)C(=O)C 11a_106256046315_100015343762 [1,1,0,0,0,0|1,0,0]=3 2587 B10R0.75 CCCCCCN(C)C(=O)C 1626a_106256046315_100015343762 [1,1,0,0,0,0|1,0,0]=3 2588 B10R0.75 CCCCCCN(C)C(=O)C 240690a_106256046315_100015343762 [1,1,0,0,0,0|1,0,0]=3 2589 B10R0.75 CCCCCCN(C)C(=O)C 527a_106256046315_100103153847 [1,1,0,0,0,0|1,0,0]=3 2590 B10R0.75 CCCCCNC(C)C(=O)C 2230a_100000209983_100009814033 [1,1,0,0,0,0|2,0,0]=4 2591 B10R0.75 CCCCCOC(C)C(=O)C 34a_100000212229_100000718602 [1,1,0,0,0,0|2,0,0]=4 2592 B10R0.75 CCCCCOC(C)C(=O)C 7a_100000210253_100000179758 [1,1,0,0,0,0|2,0,0]=4 2593 B10R0.75 CCCCCSC(C)C(=O)C 62a_100000210326_100009814033 [1,1,0,0,0,0|2,0,0]=4 2594 B10R0.75 CCCCCSC(C)C(=O)C 62a_100009814033_100000210326 [1,1,0,0,0,0|2,0,0]=4 2595 B10R0.75 CCCCOCC(=O)C(=O)C 34a_100000210227_100011261029 [1,1,0,0,0,0|2,0,0]=4 2596 B10R0.75 CCCCOCC(C)C(=O)C 34a_100000032740_100000210210 [1,1,0,0,0,0|2,0,0]=4 2597 B10R0.75 CCCCOCC(C)C(=O)C 7a_100000032740_100000210211 [1,1,0,0,0,0|2,0,0]=4 2598 B10R0.75 CCCCSCC(=O)C(=O)C 62a_100000210211_100011261029 [1,1,0,0,0,0|2,0,0]=4 2599 B10R0.75 CCCCSCC(=O)C(=O)C 62a_100011261029_100000210210 [1,1,0,0,0,0|2,0,0]=4 2600 B10R0.78 CC(=O)NC[C@H](C)CCCO 240690a_100160569302_100015343762 [1,1,0,0,0,0|2,0,0]=4 2601 B10R0.78 CC(=O)NC[C@H](C)CCCO 527a_100160569302_100103153847 [1,1,0,0,0,0|2,0,0]=4 2602 B10R0.78 CC(=O)OCC(=O)CCCF 1458a_100000183556_100011934791 [1,1,0,0,0,0|1,0,1]=4 2603 B10R0.78 CC(=O)OCC(=O)CCCO 1458a_100000183556_100011215043 [1,1,0,0,0,0|1,0,1]=4 2604 B10R0.78 CC(=O)OCC(C)NCCO 270004a_100000210304_100000000629 [1,1,0,0,0,0|2,0,0]=4 2605 B10R0.78 CC(=O)OCC(O)CSCF 62a_100015361967_200000139349 [1,1,0,0,0,0|2,0,0]=4 2606 B10R0.78 CC(=O)OCC(O)CSCF 62a_200000139349_100015361967 [1,1,0,0,0,0|2,0,0]=4 2607 B10R0.78 CC(=O)OCN(C)CCCO 269982a_100000213112_100000076356 [1,1,0,0,0,0|2,0,0]=4 2608 B10R0.78 CCCCC(=O)CNC(=O)C 1458a_100000194580_100000210211 [1,1,0,0,0,0|1,0,1]=4 2609 B10R0.78 CCCCC(=O)COC(=O)C 1458a_100000183556_100000210211 [1,1,0,0,0,0|0,0,1]=3 2610 B10R0.78 CCCCC(=O)CSC(=O)C 1458a_100000049016_100000210211 [1,1,0,0,0,0|0,1,1]=4 2611 B10R0.78 CCCCC(C)CCC(=O)C 1458a_100000033779_200000210301 [1,1,0,0,0,0|1,0,0]=3 2612 B10R0.78 CCCCC(C)CCC(=O)[13CH3] 1458a_100000033779_200025704644 [1,1,0,0,0,0|1,0,0]=3 2613 B10R0.78 CCCCC(C)COC(C)C 34a_100011995851_100000210206 [1,1,0,0,0,0|1,0,1]=4 2614 B10R0.78 CCCCC(C)COC(C)C 7a_100011995851_100000210206 [1,1,0,0,0,0|1,0,1]=4 2615 B10R0.78 CCCCC(C)OCC(=O)C 34a_100000211253_200011215066 [1,1,0,0,0,0|2,0,0]=4 2616 B10R0.78 CCCCN(C)CCC(=O)C 269982a_100000207549_100000053229 [1,1,0,0,0,0|2,0,0]=4 2617 B10R0.78 CCCCN(C)COC(=O)C 269982a_100000207549_100000076356 [1,1,0,0,0,0|1,0,0]=3 2618 B10R0.78 CCCC[C@H](N)COC(C)C 34a_100011934283_100000210206 [1,1,0,0,0,0|1,0,1]=4 2619 B10R0.78 CCCNC(=O)COC(=O)C 1626a_100020643023_100000183556 [1,1,0,0,0,0|1,0,1]=4 2620 B10R0.78 CCCNC(=O)COC(=O)C 240690a_100020643023_100000183556 [1,1,0,0,0,0|1,0,1]=4 2621 B10R0.78 CCCNC(=O)COC(=O)C 527a_100020643023_100000183556 [1,1,0,0,0,0|1,0,1]=4 2622 B10R0.78 CCCNC(C)COC(=O)C 270004a_100020643023_100000000629 [1,1,0,0,0,0|1,0,0]=3 2623 B10R0.78 CCCOC(C)CNC(=O)C 11a_100015185124_100015343762 [1,1,0,0,0,0|2,0,0]=4 2624 B10R0.78 CCCOC(C)CNC(=O)C 1626a_100015185124_100015343762 [1,1,0,0,0,0|2,0,0]=4 2625 B10R0.78 CCCOC(C)CNC(=O)C 240690a_100015185124_100015343762 [1,1,0,0,0,0|2,0,0]=4 2626 B10R0.78 CCCOC(C)CNC(=O)C 527a_100015185124_100103153847 [1,1,0,0,0,0|2,0,0]=4 2627 B10R0.78 CCNCC(C)CSC(=O)C 2230a_100015525214_200000116872 [1,1,0,0,0,0|1,1,0]=4 2628 B10R0.78 CCOCC(=O)COC(=O)C 34a_100121572206_100000036994 [1,1,0,0,0,0|1,0,1]=4 2629 B10R0.78 CCOCC(C)CSC(=O)C 34a_100121572206_200000116872 [1,1,0,0,0,0|1,1,0]=4 2630 B10R0.78 CCOCC(O)CNC(=O)C 240690a_102515437182_100015343762 [1,1,0,0,0,0|2,0,0]=4 2631 B10R0.78 CCOCC(O)CNC(=O)C 527a_102515437182_100103153847 [1,1,0,0,0,0|2,0,0]=4 2632 B10R0.78 CCOCC(O)COC(=O)C 34a_100121572206_200000139349 [1,1,0,0,0,0|1,0,0]=3 2633 B10R0.78 CCSCC(=O)COC(=O)C 62a_100000036994_100000210202 [1,1,0,0,0,0|1,0,1]=4 2634 B10R0.78 CCSCC(=O)COC(=O)C 62a_100000210202_100000036994 [1,1,0,0,0,0|1,0,1]=4 2635 B10R0.78 CCSCC(C)CSC(=O)C 62a_100000210202_200000116872 [1,1,0,0,0,0|1,1,0]=4 2636 B10R0.78 CCSCC(C)CSC(=O)C 62a_200000116872_100000210202 [1,1,0,0,0,0|1,1,0]=4 2637 B10R0.78 CCSCC(O)COC(=O)C 62a_100000210202_200000139349 [1,1,0,0,0,0|1,0,0]=3 2638 B10R0.78 CCSCC(O)COC(=O)C 62a_200000139349_100000210202 [1,1,0,0,0,0|1,0,0]=3 2639 B10R0.78 COCCC(=O)COC(=O)C 1458a_100000183556_100000233755 [1,1,0,0,0,0|1,0,1]=4 2640 B10R0.78 COCCN(C)COC(=O)C 269982a_100000743101_100000076356 [1,1,0,0,0,0|2,0,0]=4 2641 B10R0.78 CSCCC(=O)COC(=O)C 1458a_100000183556_100000751147 [1,1,0,0,0,0|1,0,1]=4 2642 B10R0.78 CSCCN(C)COC(=O)C 269982a_100000686725_100000076356 [1,1,0,0,0,0|2,0,0]=4 2643 B10R0.97 C=C(C)CCOCOC(=O)C 34a_100000764851_100009813279 [1,1,0,0,0,0|1,0,1]=4 2644 B10R0.97 C=C(C)CCSCOC(=O)C 62a_100000076356_100000730704 [1,1,0,0,0,0|1,0,1]=4 2645 B10R0.97 C=C(C)CCSCOC(=O)C 62a_100000730704_100000076356 [1,1,0,0,0,0|1,0,1]=4 2646 B10R0.97 C=C(C)COCCOC(=O)C 34a_100000210245_100009814007 [1,1,0,0,0,0|1,0,1]=4 2647 B10R0.97 C=C(C)CSCCOC(=O)C 62a_100000748629_100009814007 [1,1,0,0,0,0|1,0,1]=4 2648 B10R0.97 C=C(C)CSCCOC(=O)C 62a_100009814007_100000211660 [1,1,0,0,0,0|1,0,1]=4 2649 B10R0.97 CC(=O)CCCCCC(C)C 1458a_100000070787_100000210682 [1,1,0,0,0,0|1,0,0]=3 2650 B10R0.97 CC(=O)CCCCCC(C)C 1458a_100000766313_200000210301 [1,1,0,0,0,0|1,0,0]=3 2651 B10R0.97 CC(=O)CCCCNC(C)C 34a_100138425928_100009817362 [1,1,0,0,0,0|2,0,0]=4 2652 B10R0.97 CC(=O)CCCCOC(=O)C 1458a_100000070787_100000033659 [1,1,0,0,0,0|0,0,1]=3 2653 B10R0.97 CC(=O)CCCCOC(C)C 34a_100000212225_100009817362 [1,1,0,0,0,0|2,0,0]=4 2654 B10R0.97 CC(=O)CCCCSC(=O)C 1458a_100000070787_200010402107 [1,1,0,0,0,0|0,1,1]=4 2655 B10R0.97 CC(=O)CCCCSC(C)C 62a_100000210206_100000735457 [1,1,0,0,0,0|2,0,0]=4 2656 B10R0.97 CC(=O)CCCCSC(C)C 62a_100000735457_100000210206 [1,1,0,0,0,0|2,0,0]=4 2657 B10R0.97 CC(=O)CCCNCC(C)C 34a_100000210953_100000685027 [1,1,0,0,0,0|2,0,0]=4 2658 B10R0.97 CC(=O)CCCNCC(C)O 34a_100000210904_100000685027 [1,1,0,0,0,0|2,0,0]=4 2659 B10R0.97 CC(=O)CCCOCC(C)Br 34a_100012180447_100000685027 [1,1,0,0,0,0|2,0,0]=4 2660 B10R0.97 CC(=O)CCCOCC(C)C 34a_100000210257_100000685027 [1,1,0,0,0,0|2,0,0]=4 2661 B10R0.97 CC(=O)CCCOCC(C)C 34a_100000759063_100000210624 [1,1,0,0,0,0|2,0,0]=4 2662 B10R0.97 CC(=O)CCCOCC(C)C 7a_100000759063_100000210760 [1,1,0,0,0,0|2,0,0]=4 2663 B10R0.97 CC(=O)CCCOCC(C)F 34a_100015925927_100000685027 [1,1,0,0,0,0|2,0,0]=4 2664 B10R0.97 CC(=O)CCCOCC(C)O 34a_100000759063_100011218427 [1,1,0,0,0,0|2,0,0]=4 2665 B10R0.97 CC(=O)CCCOCC(C)O 7a_100000759063_100011218427 [1,1,0,0,0,0|2,0,0]=4 2666 B10R0.97 CC(=O)CCCOC[C@@H](C)Cl 34a_100016084084_100000685027 [1,1,0,0,0,0|2,0,0]=4 2667 B10R0.97 CC(=O)CCCOC[C@@H](C)N 34a_100000737577_100000685027 [1,1,0,0,0,0|2,0,0]=4 2668 B10R0.97 CC(=O)CCCOC[C@@H](C)O 34a_100000759063_100009817552 [1,1,0,0,0,0|2,0,0]=4 2669 B10R0.97 CC(=O)CCCOC[C@@H](C)O 7a_100000759063_100009817552 [1,1,0,0,0,0|2,0,0]=4 2670 B10R0.97 CC(=O)CCCSCC(C)C 62a_100000210624_100011215641 [1,1,0,0,0,0|2,0,0]=4 2671 B10R0.97 CC(=O)CCCSCC(C)C 62a_100011215641_100000210760 [1,1,0,0,0,0|2,0,0]=4 2672 B10R0.97 CC(=O)CCCSCC(C)O 62a_100011215641_100011218427 [1,1,0,0,0,0|2,0,0]=4 2673 B10R0.97 CC(=O)CCCSCC(C)O 62a_100011218427_100011215641 [1,1,0,0,0,0|2,0,0]=4 2674 B10R0.97 CC(=O)CCCSC[C@@H](C)O 62a_100009817552_100011215641 [1,1,0,0,0,0|2,0,0]=4 2675 B10R0.97 CC(=O)CCCSC[C@@H](C)O 62a_100011215641_100009817552 [1,1,0,0,0,0|2,0,0]=4 2676 B10R0.97 CC(=O)CCOCCC(C)C 34a_100000759926_100000210312 [1,1,0,0,0,0|2,0,0]=4 2677 B10R0.97 CC(=O)CCOCCC(C)C 7a_100000210254_100000053229 [1,1,0,0,0,0|2,0,0]=4 2678 B10R0.97 CC(=O)CCOCCC(C)C 7a_100000759926_100000210626 [1,1,0,0,0,0|2,0,0]=4 2679 B10R0.97 CC(=O)CCOCCC(C)O 34a_100000759926_100012276601 [1,1,0,0,0,0|2,0,0]=4 2680 B10R0.97 CC(=O)CCOCCC(C)O 7a_100000759926_100012276601 [1,1,0,0,0,0|2,0,0]=4 2681 B10R0.97 CC(=O)CCOCOC(=O)C 34a_100000759926_100009813279 [1,1,0,0,0,0|1,0,1]=4 2682 B10R0.97 CC(=O)CCSCCC(C)C 62a_100000053229_100000210312 [1,1,0,0,0,0|2,0,0]=4 2683 B10R0.97 CC(=O)CCSCCC(C)C 62a_100000210312_100000053229 [1,1,0,0,0,0|2,0,0]=4 2684 B10R0.97 CC(=O)CCSCCC(C)O 62a_100000053229_100012276601 [1,1,0,0,0,0|2,0,0]=4 2685 B10R0.97 CC(=O)CCSCCC(C)O 62a_100012276601_100000053229 [1,1,0,0,0,0|2,0,0]=4 2686 B10R0.97 CC(=O)CCSCOC(=O)C 62a_100000053229_100000076356 [1,1,0,0,0,0|1,0,1]=4 2687 B10R0.97 CC(=O)CCSCOC(=O)C 62a_100000076356_100000053229 [1,1,0,0,0,0|1,0,1]=4 2688 B10R0.97 CC(=O)COCCCC(C)C 34a_100000211253_100011214892 [1,1,0,0,0,0|2,0,0]=4 2689 B10R0.97 CC(=O)COCCCC(C)O 34a_100000211253_200000718107 [1,1,0,0,0,0|2,0,0]=4 2690 B10R0.97 CC(=O)COCCOC(=O)C 34a_100000211253_100009814007 [1,1,0,0,0,0|1,0,1]=4 2691 B10R0.97 CC(=O)NCCCCN(C)C 240690a_100025707445_100015343762 [1,1,0,0,0,0|2,0,0]=4 2692 B10R0.97 CC(=O)NCCCNC(C)C 34a_100000736810_100000210206 [1,1,0,0,0,0|2,0,0]=4 2693 B10R0.97 CC(=O)NCCCOC(C)C 11a_100000737246_100015343762 [1,1,0,0,0,0|2,0,0]=4 2694 B10R0.97 CC(=O)NCCCOC(C)C 1626a_100000737246_100015343762 [1,1,0,0,0,0|2,0,0]=4 2695 B10R0.97 CC(=O)NCCCOC(C)C 240690a_100000737246_100015343762 [1,1,0,0,0,0|2,0,0]=4 2696 B10R0.97 CC(=O)NCCCOC(C)C 34a_100000752032_100000210206 [1,1,0,0,0,0|2,0,0]=4 2697 B10R0.97 CC(=O)NCCCOC(C)C 527a_100000737246_100103153847 [1,1,0,0,0,0|2,0,0]=4 2698 B10R0.97 CC(=O)NCCNCC(C)C 2230a_100000209853_100000210760 [1,1,0,0,0,0|2,0,0]=4 2699 B10R0.97 CC(=O)NCCNCC(C)C 2230a_100000210953_100000189650 [1,1,0,0,0,0|2,0,0]=4 2700 B10R0.97 CC(=O)NCCNCC(C)O 2230a_100000209853_100011218427 [1,1,0,0,0,0|2,0,0]=4 2701 B10R0.97 CC(=O)NCCNCC(C)O 2230a_100000210904_100000189650 [1,1,0,0,0,0|2,0,0]=4 2702 B10R0.97 CC(=O)NCCNC[C@@H](C)O 2230a_100000209853_100009817552 [1,1,0,0,0,0|2,0,0]=4 2703 B10R0.97 CC(=O)NCCOCC(C)C 34a_100000158858_100000210624 [1,1,0,0,0,0|2,0,0]=4 2704 B10R0.97 CC(=O)NCCOCC(C)O 34a_100000158858_100011218427 [1,1,0,0,0,0|2,0,0]=4 2705 B10R0.97 CC(=O)NCCOC[C@@H](C)O 34a_100000158858_100009817552 [1,1,0,0,0,0|2,0,0]=4 2706 B10R0.97 CC(=O)NCCSCC(C)C 62a_100000189650_100000210760 [1,1,0,0,0,0|2,0,0]=4 2707 B10R0.97 CC(=O)NCCSCC(C)C 62a_100000210624_100000189650 [1,1,0,0,0,0|2,0,0]=4 2708 B10R0.97 CC(=O)NCCSCC(C)O 62a_100000189650_100011218427 [1,1,0,0,0,0|2,0,0]=4 2709 B10R0.97 CC(=O)NCCSCC(C)O 62a_100011218427_100000189650 [1,1,0,0,0,0|2,0,0]=4 2710 B10R0.97 CC(=O)NCCSC[C@@H](C)O 62a_100000189650_100009817552 [1,1,0,0,0,0|2,0,0]=4 2711 B10R0.97 CC(=O)NCCSC[C@@H](C)O 62a_100009817552_100000189650 [1,1,0,0,0,0|2,0,0]=4 2712 B10R0.97 CC(=O)OCCCCN(C)C 269982a_100102631434_100000033659 [1,1,0,0,0,0|1,0,0]=3 2713 B10R0.97 CC(=O)OCCCNC(C)C 34a_100138425928_100000042594 [1,1,0,0,0,0|1,0,0]=3 2714 B10R0.97 CC(=O)OCCCOC(C)C 34a_100000212225_100000042594 [1,1,0,0,0,0|1,0,0]=3 2715 B10R0.97 CC(=O)OCCCSC(C)C 62a_100000042594_100000210206 [1,1,0,0,0,0|1,0,0]=3 2716 B10R0.97 CC(=O)OCCCSC(C)C 62a_100000210206_100000042594 [1,1,0,0,0,0|1,0,0]=3 2717 B10R0.97 CC(=O)OCCNCC(C)C 34a_100000210953_100009814007 [1,1,0,0,0,0|1,0,0]=3 2718 B10R0.97 CC(=O)OCCNCC(C)O 34a_100000210904_100009814007 [1,1,0,0,0,0|1,0,0]=3 2719 B10R0.97 CC(=O)OCCNCC(F)F 34a_100000765723_100009814007 [1,1,0,0,0,0|2,0,0]=4 2720 B10R0.97 CC(=O)OCCOCC(C)Br 34a_100012180447_100009814007 [1,1,0,0,0,0|1,0,0]=3 2721 B10R0.97 CC(=O)OCCOCC(C)C 34a_100000210257_100009814007 [1,1,0,0,0,0|1,0,0]=3 2722 B10R0.97 CC(=O)OCCOCC(C)F 34a_100015925927_100009814007 [1,1,0,0,0,0|1,0,0]=3 2723 B10R0.97 CC(=O)OCCOCC(F)F 34a_100000743014_100009814007 [1,1,0,0,0,0|2,0,0]=4 2724 B10R0.97 CC(=O)OCCOCN(C)C 269982a_100102631434_100000076355 [1,1,0,0,0,0|2,0,0]=4 2725 B10R0.97 CC(=O)OCCOC[C@@H](C)Cl 34a_100016084084_100009814007 [1,1,0,0,0,0|1,0,0]=3 2726 B10R0.97 CC(=O)OCCOC[C@@H](C)N 34a_100000737577_100009814007 [1,1,0,0,0,0|1,0,0]=3 2727 B10R0.97 CC(=O)OCCSCC(C)C 62a_100000210624_100009814007 [1,1,0,0,0,0|1,0,0]=3 2728 B10R0.97 CC(=O)OCCSCC(C)C 62a_100009814007_100000210760 [1,1,0,0,0,0|1,0,0]=3 2729 B10R0.97 CC(=O)OCCSCC(C)O 62a_100009814007_100011218427 [1,1,0,0,0,0|1,0,0]=3 2730 B10R0.97 CC(=O)OCCSCC(C)O 62a_100011218427_100009814007 [1,1,0,0,0,0|1,0,0]=3 2731 B10R0.97 CC(=O)OCCSCC(F)F 62a_100009814007_100011934356 [1,1,0,0,0,0|2,0,0]=4 2732 B10R0.97 CC(=O)OCCSCC(F)F 62a_100011934356_100009814007 [1,1,0,0,0,0|2,0,0]=4 2733 B10R0.97 CC(=O)OCCSC[C@@H](C)O 62a_100009814007_100009817552 [1,1,0,0,0,0|1,0,0]=3 2734 B10R0.97 CC(=O)OCCSC[C@@H](C)O 62a_100009817552_100009814007 [1,1,0,0,0,0|1,0,0]=3 2735 B10R0.97 CC(=O)OCOCCC(C)Br 34a_100009893172_100009813279 [1,1,0,0,0,0|1,0,0]=3 2736 B10R0.97 CC(=O)OCOCCC(C)C 34a_100000210254_100009813279 [1,1,0,0,0,0|1,0,0]=3 2737 B10R0.97 CC(=O)OCOCCC(F)F 34a_100103093639_100009813279 [1,1,0,0,0,0|2,0,0]=4 2738 B10R0.97 CC(=O)OCOCC[C@@H](C)N 34a_100000706166_100009813279 [1,1,0,0,0,0|1,0,0]=3 2739 B10R0.97 CC(=O)OCSCCC(C)C 62a_100000076356_100000210312 [1,1,0,0,0,0|1,0,0]=3 2740 B10R0.97 CC(=O)OCSCCC(C)C 62a_100000210312_100000076356 [1,1,0,0,0,0|1,0,0]=3 2741 B10R0.97 CC(=O)OCSCCC(C)O 62a_100000076356_100012276601 [1,1,0,0,0,0|1,0,0]=3 2742 B10R0.97 CC(=O)OCSCCC(C)O 62a_100012276601_100000076356 [1,1,0,0,0,0|1,0,0]=3 2743 B10R0.97 CC(=O)OCSCCN(C)C 62a_100000076356_100000755713 [1,1,0,0,0,0|2,0,0]=4 2744 B10R0.97 CC(=O)OCSCOC(C)C 62a_100000076356_100000709892 [1,1,0,0,0,0|2,0,0]=4 2745 B10R0.97 CC(=O)OCSCOC(C)C 62a_100000709892_100000076356 [1,1,0,0,0,0|2,0,0]=4 2746 B10R0.97 CC(=O)SCCCCN(C)C 2230a_100102631434_200010402107 [1,1,0,0,0,0|1,1,0]=4 2747 B10R0.97 CC(=O)SCCCCN(C)C 269982a_100102631434_200010402107 [1,1,0,0,0,0|1,1,0]=4 2748 B10R0.97 CC(=O)SCCCNC(C)C 2230a_100138425928_100000038929 [1,1,0,0,0,0|1,1,0]=4 2749 B10R0.97 CC(=O)SCCCNC(C)C 34a_100138425928_100000038929 [1,1,0,0,0,0|1,1,0]=4 2750 B10R0.97 CC(=O)SCCCOC(C)C 34a_100000212225_100000038929 [1,1,0,0,0,0|1,1,0]=4 2751 B10R0.97 CC(=O)SCCCSC(C)C 62a_100000038929_100000210206 [1,1,0,0,0,0|1,1,0]=4 2752 B10R0.97 CC(=O)SCCCSC(C)C 62a_100000210206_100000038929 [1,1,0,0,0,0|1,1,0]=4 2753 B10R0.97 CC(=S)OCCCNC(C)C 2230a_100138425928_200135323944 [1,1,0,0,0,0|1,1,0]=4 2754 B10R0.97 CC(=S)OCCCNC(C)C 34a_100138425928_200135323944 [1,1,0,0,0,0|1,1,0]=4 2755 B10R0.97 CC(=S)OCCCOC(C)C 34a_100000212225_200135323944 [1,1,0,0,0,0|1,1,0]=4 2756 B10R0.97 CC(=S)OCCCSC(C)C 62a_100000210206_200135323944 [1,1,0,0,0,0|1,1,0]=4 2757 B10R0.97 CC(=S)OCCCSC(C)C 62a_200135323944_100000210206 [1,1,0,0,0,0|1,1,0]=4 2758 B10R0.97 CC(Br)COCCOC(=O)N 34a_100012180447_200011214921 [1,1,0,0,0,0|2,0,0]=4 2759 B10R0.97 CC(C)CCCCCC(=O)[13CH3] 1458a_100000766313_200025704644 [1,1,0,0,0,0|1,0,0]=3 2760 B10R0.97 CC(C)CCCCOC(C)C 34a_100000212225_100011216152 [1,1,0,0,0,0|1,0,1]=4 2761 B10R0.97 CC(C)CCCCOC(C)C 34a_100011214890_100000210206 [1,1,0,0,0,0|1,0,1]=4 2762 B10R0.97 CC(C)CCCCOC(C)C 7a_100011214890_100000210206 [1,1,0,0,0,0|1,0,1]=4 2763 B10R0.97 CC(C)CNCCOC(=O)N 34a_100000210953_200011214921 [1,1,0,0,0,0|2,0,0]=4 2764 B10R0.97 CC(C)COCCOC(=O)N 34a_100000210257_200011214921 [1,1,0,0,0,0|2,0,0]=4 2765 B10R0.97 CC(C)COCCOC(=O)N 7a_100000766696_100000210760 [1,1,0,0,0,0|2,0,0]=4 2766 B10R0.97 CC(C)CSCCOC(=O)N 62a_100000210624_200011214921 [1,1,0,0,0,0|2,0,0]=4 2767 B10R0.97 CC(C)CSCCOC(=O)N 62a_200011214921_100000210760 [1,1,0,0,0,0|2,0,0]=4 2768 B10R0.97 CC(F)COCCOC(=O)N 34a_100015925927_200011214921 [1,1,0,0,0,0|2,0,0]=4 2769 B10R0.97 CC(O)CNCCOC(=O)N 34a_100000210904_200011214921 [1,1,0,0,0,0|2,0,0]=4 2770 B10R0.97 CC(O)COCCOC(=O)N 7a_100000766696_100011218427 [1,1,0,0,0,0|2,0,0]=4 2771 B10R0.97 CC(O)CSCCOC(=O)N 62a_100011218427_200011214921 [1,1,0,0,0,0|2,0,0]=4 2772 B10R0.97 CC(O)CSCCOC(=O)N 62a_200011214921_100011218427 [1,1,0,0,0,0|2,0,0]=4 2773 B10R0.97 C[C@@H](Cl)COCCOC(=O)N 34a_100016084084_200011214921 [1,1,0,0,0,0|2,0,0]=4 2774 B10R0.97 C[C@@H](N)COCCOC(=O)N 34a_100000737577_200011214921 [1,1,0,0,0,0|2,0,0]=4 2775 B10R0.97 C[C@@H](O)COCCOC(=O)N 7a_100000766696_100009817552 [1,1,0,0,0,0|2,0,0]=4 2776 B10R0.97 C[C@@H](O)CSCCOC(=O)N 62a_100009817552_200011214921 [1,1,0,0,0,0|2,0,0]=4 2777 B10R0.97 C[C@@H](O)CSCCOC(=O)N 62a_200011214921_100009817552 [1,1,0,0,0,0|2,0,0]=4 2778 B10R0.1 C/C=C/CCOC(C)CCC 34a_100016278192_100000766640 [1,1,0,0,0,0|2,0,0]=4 2779 B10R0.1 C/C=C/COCC(C)CCC 34a_100000688023_100102629194 [1,1,0,0,0,0|2,0,0]=4 2780 B10R0.1 C/C=C/COCC(C)CCC 34a_100016270725_100011216630 [1,1,0,0,0,0|2,0,0]=4 2781 B10R0.1 C/C=C/COCC(C)CCC 7a_100000688023_100102629194 [1,1,0,0,0,0|2,0,0]=4 2782 B10R0.1 C/C=C/COC[C@@H](N)CCC 34a_100000732646_100102629194 [1,1,0,0,0,0|2,0,0]=4 2783 B10R0.1 C/C=C/CSCC(C)CCC 62a_100011216630_100102629194 [1,1,0,0,0,0|2,0,0]=4 2784 B10R0.1 C/C=C/CSCC(C)CCC 62a_100102629194_100011216630 [1,1,0,0,0,0|2,0,0]=4 2785 B10R0.1 C=CCOCCC(C)CCC 34a_100011217855_100015514636 [1,1,0,0,0,0|1,0,1]=4 2786 B10R0.1 C=CCOCCC(C)CCC 7a_100011217855_100015514636 [1,1,0,0,0,0|1,0,1]=4 2787 B10R0.1 C=CCOCC[C@@H](N)CCC 34a_100015193777_100015514636 [1,1,0,0,0,0|1,0,1]=4 2788 B10R0.1 C=COCCNC(C)CCC 2230a_100000741246_100000039644 [1,1,0,0,0,0|1,0,1]=4 2789 B10R0.1 C=COCCOC(C)CCC 34a_100000033082_100000766640 [1,1,0,0,0,0|1,0,1]=4 2790 B10R0.1 C=COCCOC(C)CCC 34a_100000764384_100000039644 [1,1,0,0,0,0|1,0,1]=4 2791 B10R0.1 C=COCCOC(C)CCC 7a_100000764384_100000039644 [1,1,0,0,0,0|1,0,1]=4 2792 B10R0.1 C=COCCSC(C)CCC 62a_100000039644_100000766640 [1,1,0,0,0,0|1,0,1]=4 2793 B10R0.1 C=COCCSC(C)CCC 62a_100000766640_100000039644 [1,1,0,0,0,0|1,0,1]=4 2794 B10R0.1 CC=CCOCC(C)CCC 34a_100000688023_100000070051 [1,1,0,0,0,0|2,0,0]=4 2795 B10R0.1 CC=CCOCC(C)CCC 7a_100000688023_100000070051 [1,1,0,0,0,0|2,0,0]=4 2796 B10R0.1 CC=CCOC[C@@H](N)CCC 34a_100000732646_100000070051 [1,1,0,0,0,0|2,0,0]=4 2797 B10R0.1 CC=CCSCC(C)CCC 62a_100000070051_100011216630 [1,1,0,0,0,0|2,0,0]=4 2798 B10R0.1 CC=CCSCC(C)CCC 62a_100011216630_100000070051 [1,1,0,0,0,0|2,0,0]=4 2799 B10R0.1 CCCC(C)CCCOCC 34a_100011713154_100000210202 [1,1,0,0,0,0|1,0,1]=4 2800 B10R0.1 CCCC(C)CCCOCC 7a_100011713154_100000210202 [1,1,0,0,0,0|1,0,1]=4 2801 B10R0.1 CCCC(C)CCOCC=O 34a_100011217855_200009817547 [1,1,0,0,0,0|1,0,0]=3 2802 B10R0.1 CCCC(C)CCOCC=O 7a_100011217855_200015260668 [1,1,0,0,0,0|1,0,0]=3 2803 B10R0.1 CCCC(C)CCOCCF 34a_100011217855_100011217306 [1,1,0,0,0,0|1,0,1]=4 2804 B10R0.1 CCCC(C)CCOCCF 7a_100011217855_100011217306 [1,1,0,0,0,0|1,0,1]=4 2805 B10R0.1 CCCC(C)CCOCCO 34a_100011217855_100000211926 [1,1,0,0,0,0|1,0,1]=4 2806 B10R0.1 CCCC(C)CCOCCO 7a_100011217855_100000211926 [1,1,0,0,0,0|1,0,1]=4 2807 B10R0.1 CCCC(C)CCOCSC 34a_100011217855_100011218213 [1,1,0,0,0,0|1,0,1]=4 2808 B10R0.1 CCCC(C)CSCOCC 62a_100000739092_100011216630 [1,1,0,0,0,0|1,0,1]=4 2809 B10R0.1 CCCC(C)CSCOCC 62a_100011216630_100000739092 [1,1,0,0,0,0|1,0,1]=4 2810 B10R0.1 CCCC(C)NCCCC=O 2230a_100000741246_200011292268 [1,1,0,0,0,0|2,0,0]=4 2811 B10R0.1 CCCC(C)NCCOCC 2230a_100000741246_100011215890 [1,1,0,0,0,0|1,0,1]=4 2812 B10R0.1 CCCC(C)NCCOCC 2230a_102516460346_100000766640 [1,1,0,0,0,0|1,0,1]=4 2813 B10R0.1 CCCC(C)NCCOCC 270004a_102516460346_100000211909 [1,1,0,0,0,0|1,0,1]=4 2814 B10R0.1 CCCC(C)NCCOCC 34a_102516460346_100000766640 [1,1,0,0,0,0|1,0,1]=4 2815 B10R0.1 CCCC(C)OCCCC=O 7a_100000764384_200011292268 [1,1,0,0,0,0|2,0,0]=4 2816 B10R0.1 CCCC(C)OCCOCC 34a_100000210136_100000766640 [1,1,0,0,0,0|1,0,1]=4 2817 B10R0.1 CCCC(C)OCCOCC 34a_100000764384_100000210147 [1,1,0,0,0,0|1,0,1]=4 2818 B10R0.1 CCCC(C)OCCOCC 7a_100000210136_100000766640 [1,1,0,0,0,0|1,0,1]=4 2819 B10R0.1 CCCC(C)OCCOCC 7a_100000764384_100011215890 [1,1,0,0,0,0|1,0,1]=4 2820 B10R0.1 CCCC(C)SCCCC=O 62a_100000766640_200011292268 [1,1,0,0,0,0|2,0,0]=4 2821 B10R0.1 CCCC(C)SCCCC=O 62a_200011292268_100000766640 [1,1,0,0,0,0|2,0,0]=4 2822 B10R0.1 CCCC(C)SCCOCC 62a_100000210147_100000766640 [1,1,0,0,0,0|1,0,1]=4 2823 B10R0.1 CCCC(C)SCCOCC 62a_100000766640_100011215890 [1,1,0,0,0,0|1,0,1]=4 2824 B10R0.1 CCCOCCC(C)CCC 34a_100011217855_100000210303 [1,1,0,0,0,0|1,0,1]=4 2825 B10R0.1 CCCOCCC(C)CCC 7a_100011217855_100000210303 [1,1,0,0,0,0|1,0,1]=4 2826 B10R0.1 CCCOCC[C@@H](N)CCC 34a_100015193777_100000210303 [1,1,0,0,0,0|1,0,1]=4 2827 B10R0.1 CCC[C@H](N)CCOCC=O 34a_100015193777_200009817547 [1,1,0,0,0,0|1,0,0]=3 2828 B10R0.1 CCC[C@H](N)CCOCCF 34a_100015193777_100011217306 [1,1,0,0,0,0|1,0,1]=4 2829 B10R0.1 CCC[C@H](N)CCOCCO 34a_100015193777_100000211926 [1,1,0,0,0,0|1,0,1]=4 2830 B10R0.1 CCC[C@H](N)CCOCSC 34a_100015193777_100011218213 [1,1,0,0,0,0|1,0,1]=4 2831 B10R0.24 CCCC(CCOCC)SC 34a_100000032865_100000210202 [1,1,0,0,0,0|0,0,1]=3 2832 B10R0.24 CCCC(CCOCC)SC 7a_100000032865_100000210202 [1,1,0,0,0,0|0,0,1]=3 2833 B10R0.24 CCCC(CCOCF)SC 34a_100000032865_100015361967 [1,1,0,0,0,0|1,0,1]=4 2834 B10R0.24 CCCC(CCOCF)SC 7a_100000032865_100015361967 [1,1,0,0,0,0|1,0,1]=4 2835 B10R0.91 CCCNC(C)CCOCC 270004a_100020643023_200011216536 [1,1,0,0,0,0|1,0,1]=4 2836 B10R0.26 CCCC(C)NC(C)C(=O)C 2230a_100000741246_100009814033 [0,1,0,0,1,0|2,0,0]=4 2837 B10R0.26 CCCC(C)OC(C)C(=O)C 34a_100000212229_100000766640 [0,1,0,0,1,0|2,0,0]=4 2838 B10R0.26 CCCC(C)OC(C)C(=O)C 7a_100000764384_100000179758 [0,1,0,0,1,0|2,0,0]=4 2839 B10R0.26 CCCC(C)SC(C)C(=O)C 62a_100000766640_100009814033 [0,1,0,0,1,0|2,0,0]=4 2840 B10R0.26 CCCC(C)SC(C)C(=O)C 62a_100009814033_100000766640 [0,1,0,0,1,0|2,0,0]=4 2841 B10R0.27 CCCN(CC)CCC(=O)C 269982a_100000226822_100000053229 [0,1,0,0,1,0|2,0,0]=4 2842 B10R0.27 CCCN(CC)COC(=O)C 269982a_100000226822_100000076356 [0,1,0,0,1,0|2,0,0]=4 2843 B10R0.27 CCOC(CCl)COC(=O)C 7a_200000139349_100000210202 [0,1,0,0,1,0|2,0,0]=4 2844 B10R0.32 CCCC(=O)C(C)OC(=O)C 1458a_100000211992_100009818208 [0,1,0,0,1,0|0,1,1]=4 2845 B10R0.32 CCCC(=O)[C@H](C)OC(=O)C 1458a_100009816467_100000210303 [0,1,0,0,1,0|0,1,1]=4 2846 B10R0.32 CCCN(C)C(C)OC(=O)C 269982a_100000747261_100009818208 [0,1,0,0,1,0|2,0,0]=4 2847 B10R0.96 CC(=O)CCN(C)CC(C)C 269982a_100000747067_100000053229 [0,1,0,0,1,0|2,0,0]=4 2848 B10R0.96 CC(=O)CCN(C)CC(C)O 269982a_100000227577_100000053229 [0,1,0,0,1,0|2,0,0]=4 2849 B10R0.96 CC(=O)COC(C)CC(C)C 34a_100000211253_100000731052 [0,1,0,0,1,0|2,0,0]=4 2850 B10R0.96 CC(=O)OCC(=O)CC(C)C 1458a_100000183556_100000210624 [0,1,0,0,1,0|0,1,1]=4 2851 B10R0.96 CC(=O)OCC(=O)CC(C)O 1458a_100000183556_100011218427 [0,1,0,0,1,0|0,1,1]=4 2852 B10R0.96 CC(=O)OCC(O)CN(C)C 269982a_100102631434_200000139349 [0,1,0,0,1,0|1,1,0]=4 2853 B10R0.96 CC(=O)OCN(C)CC(C)C 269982a_100000747067_100000076356 [0,1,0,0,1,0|2,0,0]=4 2854 B10R0.96 CC(=O)OCN(C)CC(C)O 269982a_100000227577_100000076356 [0,1,0,0,1,0|2,0,0]=4 2855 B12R0.54 CC(=O)OCCN(C)C(C)CCO 269982a_100000731037_100009814007 [0,1,0,0,0,1|2,0,0]=4 2856 B12R0.54 CCCC(C)C(=O)CCCC(=O)C 1458a_100000210906_100011215641 [0,1,0,0,0,1|2,0,0]=4 2857 B12R0.54 CCCC(C)C(=O)CCNC(=O)C 1458a_100000183196_100000766640 [0,1,0,0,0,1|2,0,0]=4 2858 B12R0.54 CCCC(C)C(=O)CCNC(=O)C 1458a_100000210906_100000189650 [0,1,0,0,0,1|2,0,0]=4 2859 B12R0.54 CCCC(C)C(=O)CCOC(=O)C 1458a_100000210906_100009814007 [0,1,0,0,0,1|1,0,0]=3 2860 B12R0.54 CCCC(C)C(=O)CCOC(=O)N 1458a_100000210906_200011214921 [0,1,0,0,0,1|2,0,0]=4 2861 B12R0.54 CCCC(C)C(=O)CCSC(=O)C 1458a_100000048949_100000766640 [0,1,0,0,0,1|1,1,0]=4 2862 B12R0.54 CCCC(C)C(C)OCCC(=O)C 7a_100000708338_100000053229 [0,1,0,0,0,1|2,0,0]=4 2863 B12R0.54 CCCC(C)C(C)OCOC(=O)C 34a_100000708338_100009813279 [0,1,0,0,0,1|1,0,0]=3 2864 B12R0.54 CCC[C@H](O)C(=O)CCCC(=O)C 1458a_100009822183_100011215641 [0,1,0,0,0,1|1,1,0]=4 2865 B12R0.54 CCC[C@H](O)C(=O)CCNC(=O)C 1458a_100009822183_100000189650 [0,1,0,0,0,1|1,1,0]=4 2866 B12R0.54 CCC[C@H](O)C(=O)CCOC(=O)C 1458a_100009822183_100009814007 [0,1,0,0,0,1|0,1,0]=3 2867 B12R0.54 CCC[C@H](O)C(=O)CCOC(=O)N 1458a_100009822183_200011214921 [0,1,0,0,0,1|1,1,0]=4 2868 B12R0.54 CCOC(C)C(=O)CCOC(=O)C 1458a_100000739345_100009814007 [0,1,0,0,0,1|2,0,0]=4 2869 B12R0.54 CCSC(C)C(=O)CCOC(=O)C 1458a_100000230601_100009814007 [0,1,0,0,0,1|2,0,0]=4 2870 B12R0.54 COCC(C)C(=O)CCOC(=O)C 1458a_100000751857_100009814007 [0,1,0,0,0,1|2,0,0]=4 2871 B12R0.54 CSCC(C)C(=O)CCOC(=O)C 1458a_100000753918_100009814007 [0,1,0,0,0,1|2,0,0]=4 2872 B12R0.72 CCCC(C)NCCOS(=O)(=O)C 2230a_100000741246_200000036756 [0,1,0,0,0,1|2,0,0]=4 2873 B12R0.72 CCCC(C)OCCOS(=O)(=O)C 34a_100000764384_200000036756 [0,1,0,0,0,1|2,0,0]=4 2874 B12R0.72 CCCC(C)OCCOS(=O)(=O)C 7a_100000764384_200000036756 [0,1,0,0,0,1|2,0,0]=4 2875 B12R0.72 CCCC(C)SCCOS(=O)(=O)C 62a_100000766640_200000036756 [0,1,0,0,0,1|2,0,0]=4 2876 B12R0.72 CCCC(C)SCCOS(=O)(=O)C 62a_200000036756_100000766640 [0,1,0,0,0,1|2,0,0]=4 2877 B12R0.86 CCC(=O)C(C)SCCOC(=O)C 62a_100000742827_100009814007 [0,1,0,0,0,1|1,0,1]=4 2878 B12R0.86 CCC(=O)C(C)SCCOC(=O)C 62a_100009814007_100000742827 [0,1,0,0,0,1|1,0,1]=4 2879 B12R0.86 CCC(C)C(=O)CCCOC(=O)C 1458a_100011192722_100000042594 [0,1,0,0,0,1|0,1,1]=4 2880 B12R0.86 CCC(C)C(=O)NCCOC(=O)C 11a_100000724843_100011192722 [0,1,0,0,0,1|0,1,1]=4 2881 B12R0.86 CCC(C)C(=O)NCCOC(=O)C 240690a_100000724843_100011192722 [0,1,0,0,0,1|0,1,1]=4 2882 B12R0.86 CCC(C)C(=O)NCCOC(=O)C 527a_100000724843_100011192722 [0,1,0,0,0,1|0,1,1]=4 2883 B12R0.86 CCC(C)C(C)NCCNC(=O)C 269862a_100000209853_100000210599 [0,1,0,0,0,1|2,0,0]=4 2884 B12R0.86 CCC(C)C(C)NCCSC(=O)C 269862a_100020647217_100000210599 [0,1,0,0,0,1|1,1,0]=4 2885 B12R0.86 CCC(C)C(C)OCCCC(=O)C 7a_100011215189_100011215641 [0,1,0,0,0,1|2,0,0]=4 2886 B12R0.86 CCC(C)C(C)OCCNC(=O)C 7a_100011215189_100000189650 [0,1,0,0,0,1|2,0,0]=4 2887 B12R0.86 CCC(C)C(C)OCCOC(=O)C 7a_100011215189_100009814007 [0,1,0,0,0,1|1,0,0]=3 2888 B12R0.86 CCC(C)C(C)OCCOC(=O)N 7a_100011215189_200011214921 [0,1,0,0,0,1|2,0,0]=4 2889 B12R0.86 CCC(C)N(C)CCCOC(=O)C 269982a_100000741768_100000042594 [0,1,0,0,0,1|2,0,0]=4 2890 B12R0.86 CCC(O)C(=O)CCCOC(=O)C 1458a_100011196387_100000042594 [0,1,0,0,0,1|0,1,1]=4 2891 B12R0.86 CCC(O)C(=O)NCCOC(=O)C 240690a_100000724843_100011196387 [0,1,0,0,0,1|0,1,1]=4 2892 B12R0.95 C=CCCC(C)OCCOC(=O)C 34a_100000765329_100009814007 [0,1,0,0,0,1|1,0,1]=4 2893 B12R0.95 C=CCCC(C)OCCOC(=O)C 7a_100000765329_100009814007 [0,1,0,0,0,1|1,0,1]=4 2894 B12R0.95 CC(=O)CCCOC(C)CCCCl 34a_200000718107_100000685027 [0,1,0,0,0,1|2,0,0]=4 2895 B12R0.95 CC(=O)CCCOC(C)CCCCl 7a_200000718107_100011215641 [0,1,0,0,0,1|2,0,0]=4 2896 B12R0.95 CC(=O)NCCOC(C)CCCCl 7a_200000718107_100000189650 [0,1,0,0,0,1|2,0,0]=4 2897 B12R0.95 CC(=O)OCCCN(C)CCCO 269982a_100000213112_100000042594 [0,1,0,0,0,1|2,0,0]=4 2898 B12R0.95 CC(=O)OCCOC(C)CCCCl 34a_200000718107_100009814007 [0,1,0,0,0,1|1,0,0]=3 2899 B12R0.95 CC(=O)OCCOC(C)CCCCl 7a_200000718107_100009814007 [0,1,0,0,0,1|1,0,0]=3 2900 B12R0.95 CC(=O)OCNC[C@H](C)CCCO 34a_100160569302_100009813279 [0,1,0,0,0,1|1,0,0]=3 2901 B12R0.95 CC(CCCCl)OCCOC(=O)N 34a_200000718107_200011214921 [0,1,0,0,0,1|2,0,0]=4 2902 B12R0.95 CC(CCCCl)OCCOC(=O)N 7a_200000718107_200011214921 [0,1,0,0,0,1|2,0,0]=4 2903 B12R0.95 CCC#CC(C)OCCOC(=O)C 34a_100000033903_100009814007 [0,1,0,0,0,1|1,0,1]=4 2904 B12R0.95 CCC#CC(C)OCCOC(=O)C 7a_100000033903_100009814007 [0,1,0,0,0,1|1,0,1]=4 2905 B12R0.95 CCCCC(=O)CCCOC(=O)C 1458a_100000210183_100000042594 [0,1,0,0,0,1|0,1,1]=4 2906 B12R0.95 CCCCC(=O)NCCOC(=O)C 11a_100000724843_100000210183 [0,1,0,0,0,1|0,1,1]=4 2907 B12R0.95 CCCCC(=O)NCCOC(=O)C 240690a_100000724843_100000210183 [0,1,0,0,0,1|0,1,1]=4 2908 B12R0.95 CCCCC(=O)NCCOC(=O)C 527a_100000724843_100000210183 [0,1,0,0,0,1|0,1,1]=4 2909 B12R0.95 CCCCC(C)COCCC(=O)C 7a_100011995851_100000053229 [0,1,0,0,0,1|2,0,0]=4 2910 B12R0.95 CCCCC(C)COCOC(=O)C 34a_100011995851_100009813279 [0,1,0,0,0,1|1,0,0]=3 2911 B12R0.95 CCCCC(C)NCCNC(=O)C 2230a_100000126638_100000189650 [0,1,0,0,0,1|2,0,0]=4 2912 B12R0.95 CCCCC(C)NCCNC(=O)C 2230a_100000209853_200011215066 [0,1,0,0,0,1|2,0,0]=4 2913 B12R0.95 CCCCC(C)OCCCC(=O)C 34a_100000687866_100000685027 [0,1,0,0,0,1|2,0,0]=4 2914 B12R0.95 CCCCC(C)OCCCC(=O)C 34a_100000759063_200011215066 [0,1,0,0,0,1|2,0,0]=4 2915 B12R0.95 CCCCC(C)OCCCC(=O)C 7a_100000687866_100011215641 [0,1,0,0,0,1|2,0,0]=4 2916 B12R0.95 CCCCC(C)OCCCC(=O)C 7a_100000759063_200011215066 [0,1,0,0,0,1|2,0,0]=4 2917 B12R0.95 CCCCC(C)OCCNC(=O)C 34a_100000158858_200011215066 [0,1,0,0,0,1|2,0,0]=4 2918 B12R0.95 CCCCC(C)OCCNC(=O)C 7a_100000687866_100000189650 [0,1,0,0,0,1|2,0,0]=4 2919 B12R0.95 CCCCC(C)OCCOC(=O)C 34a_100000687866_100009814007 [0,1,0,0,0,1|1,0,0]=3 2920 B12R0.95 CCCCC(C)OCCOC(=O)C 7a_100000687866_100009814007 [0,1,0,0,0,1|1,0,0]=3 2921 B12R0.95 CCCCC(C)OCCOC(=O)N 34a_100000687866_200011214921 [0,1,0,0,0,1|2,0,0]=4 2922 B12R0.95 CCCCC(C)OCCOC(=O)N 7a_100000687866_200011214921 [0,1,0,0,0,1|2,0,0]=4 2923 B12R0.95 CCCCC(C)OCCOC(=O)N 7a_100000766696_200011215066 [0,1,0,0,0,1|2,0,0]=4 2924 B12R0.95 CCCCC(C)SCCCC(=O)C 62a_100011215641_200011215066 [0,1,0,0,0,1|2,0,0]=4 2925 B12R0.95 CCCCC(C)SCCCC(=O)C 62a_200011215066_100011215641 [0,1,0,0,0,1|2,0,0]=4 2926 B12R0.95 CCCCC(C)SCCNC(=O)C 62a_100000189650_200011215066 [0,1,0,0,0,1|2,0,0]=4 2927 B12R0.95 CCCCC(C)SCCNC(=O)C 62a_200011215066_100000189650 [0,1,0,0,0,1|2,0,0]=4 2928 B12R0.95 CCCCC(C)SCCOC(=O)C 62a_100009814007_200011215066 [0,1,0,0,0,1|1,0,0]=3 2929 B12R0.95 CCCCC(C)SCCOC(=O)C 62a_200011215066_100009814007 [0,1,0,0,0,1|1,0,0]=3 2930 B12R0.95 CCCCC(C)SCCOC(=O)N 62a_200011214921_200011215066 [0,1,0,0,0,1|2,0,0]=4 2931 B12R0.95 CCCCC(C)SCCOC(=O)N 62a_200011215066_200011214921 [0,1,0,0,0,1|2,0,0]=4 2932 B12R0.95 CCCCN(C)CCCOC(=O)C 269982a_100000207549_100000042594 [0,1,0,0,0,1|2,0,0]=4 2933 B12R0.95 CCCC[C@H](N)COCOC(=O)C 34a_100011934283_100009813279 [0,1,0,0,0,1|1,0,0]=3 2934 B12R0.95 CCCNC(=O)CSCOC(=O)C 62a_100000076356_100000183358 [0,1,0,0,0,1|0,1,1]=4 2935 B12R0.95 CCCNC(=O)CSCOC(=O)C 62a_100000183358_100000076356 [0,1,0,0,0,1|0,1,1]=4 2936 B12R0.95 CCCNC(=O)NCCOC(=O)C 2708a_100020643023_100000724843 [0,1,0,0,0,1|0,1,1]=4 2937 B12R0.95 CCCNC(=O)NCCOC(=O)C 273464a_100000724843_100020643023 [0,1,0,0,0,1|0,1,1]=4 2938 B12R0.95 CCCNC(=O)NCCOC(=O)C 273464a_100020643023_100000724843 [0,1,0,0,0,1|0,1,1]=4 2939 B12R0.95 CCCNC(=O)NCCOC(=O)C 512a_100000724843_100020643023 [0,1,0,0,0,1|0,1,1]=4 2940 B12R0.95 CCCNC(=O)NCCOC(=O)C 512a_100020643023_100000724843 [0,1,0,0,0,1|0,1,1]=4 2941 B12R0.95 CCCOC(=O)CSCOC(=O)C 62a_100000076356_200011215008 [0,1,0,0,0,1|0,1,1]=4 2942 B12R0.95 CCCOC(=O)CSCOC(=O)C 62a_200011215008_100000076356 [0,1,0,0,0,1|0,1,1]=4 2943 B12R0.95 CCCOC(C)CNCOC(=O)C 34a_100015185124_100009813279 [0,1,0,0,0,1|1,0,0]=3 2944 B12R0.95 CCOCC(=O)CCCOC(=O)C 1458a_100000211967_100000042594 [0,1,0,0,0,1|0,1,1]=4 2945 B12R0.95 CCOCC(=O)NCCOC(=O)C 11a_100000724843_100000211967 [0,1,0,0,0,1|0,1,1]=4 2946 B12R0.95 CCOCC(=O)NCCOC(=O)C 240690a_100000724843_100000211967 [0,1,0,0,0,1|0,1,1]=4 2947 B12R0.95 CCOCC(=O)NCCOC(=O)C 527a_100000724843_100000211967 [0,1,0,0,0,1|0,1,1]=4 2948 B12R0.95 CCOCC(C)OCCCC(=O)C 34a_100000718985_100000685027 [0,1,0,0,0,1|2,0,0]=4 2949 B12R0.95 CCOCC(C)OCCCC(=O)C 7a_100000718985_100011215641 [0,1,0,0,0,1|2,0,0]=4 2950 B12R0.95 CCOCC(C)OCCNC(=O)C 7a_100000718985_100000189650 [0,1,0,0,0,1|2,0,0]=4 2951 B12R0.95 CCOCC(C)OCCOC(=O)C 34a_100000718985_100009814007 [0,1,0,0,0,1|1,0,0]=3 2952 B12R0.95 CCOCC(C)OCCOC(=O)C 7a_100000718985_100009814007 [0,1,0,0,0,1|1,0,0]=3 2953 B12R0.95 CCOCC(C)OCCOC(=O)N 34a_100000718985_200011214921 [0,1,0,0,0,1|2,0,0]=4 2954 B12R0.95 CCOCC(C)OCCOC(=O)N 7a_100000718985_200011214921 [0,1,0,0,0,1|2,0,0]=4 2955 B12R0.95 CCOCC(O)CNCOC(=O)C 34a_102515437182_100009813279 [0,1,0,0,0,1|0,1,0]=3 2956 B12R0.95 CCSCC(=O)CCCOC(=O)C 1458a_100000230394_100000042594 [0,1,0,0,0,1|0,1,1]=4 2957 B12R0.95 CCSCC(=O)NCCOC(=O)C 11a_100000724843_100000230394 [0,1,0,0,0,1|0,1,1]=4 2958 B12R0.95 CCSCC(=O)NCCOC(=O)C 240690a_100000724843_100000230394 [0,1,0,0,0,1|0,1,1]=4 2959 B12R0.95 CCSCC(=O)NCCOC(=O)C 527a_100000724843_100000230394 [0,1,0,0,0,1|0,1,1]=4 2960 B12R0.95 COCCC(=O)CCCOC(=O)C 1458a_100000749529_100000042594 [0,1,0,0,0,1|0,1,1]=4 2961 B12R0.95 COCCC(=O)NCCOC(=O)C 11a_100000724843_100000749529 [0,1,0,0,0,1|0,1,1]=4 2962 B12R0.95 COCCC(=O)NCCOC(=O)C 240690a_100000724843_100000749529 [0,1,0,0,0,1|0,1,1]=4 2963 B12R0.95 COCCC(=O)NCCOC(=O)C 527a_100000724843_100000749529 [0,1,0,0,0,1|0,1,1]=4 2964 B12R0.95 COCCN(C)CCCOC(=O)C 269982a_100000743101_100000042594 [0,1,0,0,0,1|2,0,0]=4 2965 B12R0.95 COCO[C@H](C)COCOC(=O)C 34a_100016172286_100009813279 [0,1,0,0,0,1|2,0,0]=4 2966 B12R0.95 CSCCC(=O)CCCOC(=O)C 1458a_100000174002_100000042594 [0,1,0,0,0,1|0,1,1]=4 2967 B12R0.95 CSCCC(=O)NCCOC(=O)C 11a_100000724843_100000174002 [0,1,0,0,0,1|0,1,1]=4 2968 B12R0.95 CSCCC(=O)NCCOC(=O)C 240690a_100000724843_100000174002 [0,1,0,0,0,1|0,1,1]=4 2969 B12R0.95 CSCCC(=O)NCCOC(=O)C 527a_100000724843_100000174002 [0,1,0,0,0,1|0,1,1]=4 2970 B12R0.95 CSCCN(C)CCCOC(=O)C 269982a_100000686725_100000042594 [0,1,0,0,0,1|2,0,0]=4 2971 B12R0.95 CSCC[C@H](N)COCOC(=O)C 34a_100011827619_100009813279 [0,1,0,0,0,1|1,0,0]=3 2972 B12R0.172 CC(=O)OCCOC(C)(C)CCBr 7a_100000702414_100009814007 [0,1,0,0,0,1|2,0,0]=4 2973 B12R0.172 CCCC(C)(C)COCCC(=O)C 7a_100011995695_100000053229 [0,1,0,0,0,1|2,0,0]=4 2974 B12R0.172 CCCC(C)(C)OCCCC(=O)C 7a_100000748436_100011215641 [0,1,0,0,0,1|2,0,0]=4 2975 B12R0.172 CCCC(C)(C)OCCNC(=O)C 7a_100000748436_100000189650 [0,1,0,0,0,1|2,0,0]=4 2976 B12R0.172 CCCC(C)(C)OCCOC(=O)C 7a_100000748436_100009814007 [0,1,0,0,0,1|1,0,0]=3 2977 B12R0.172 CCCC(C)(C)OCCOC(=O)N 7a_100000748436_200011214921 [0,1,0,0,0,1|2,0,0]=4 2978 B12R0.172 CCCS(=O)(=O)NCCOC(=O)C 270084a_100000724843_100000211391 [0,1,0,0,0,1|1,1,0]=4 2979 B12R0.172 CCCS(=O)(=O)NCCOC(=O)C 274078a_100000724843_100000211391 [0,1,0,0,0,1|1,1,0]=4 2980 B12R0.172 CCCS(=O)(=O)NCCOC(=O)C 40a_100000724843_100000054278 [0,1,0,0,0,1|1,1,0]=4 2981 B12R0.172 CSCC(C)(C)NCCOC(=O)C 7a_100000759623_100009814007 [0,1,0,0,0,1|2,0,0]=4 2982 B12R0.224 C#CC(CCC)OCCCC(=O)C 34a_200011217317_100000685027 [0,1,0,0,0,1|2,0,0]=4 2983 B12R0.224 C#CC(CCC)OCCCC(=O)C 7a_200011217317_100011215641 [0,1,0,0,0,1|2,0,0]=4 2984 B12R0.224 C#CC(CCC)OCCNC(=O)C 7a_200011217317_100000189650 [0,1,0,0,0,1|2,0,0]=4 2985 B12R0.224 C#CC(CCC)OCCOC(=O)C 34a_200011217317_100009814007 [0,1,0,0,0,1|1,0,0]=3 2986 B12R0.224 C#CC(CCC)OCCOC(=O)C 7a_200011217317_100009814007 [0,1,0,0,0,1|1,0,0]=3 2987 B12R0.224 C#CC(CCC)OCCOC(=O)N 34a_200011217317_200011214921 [0,1,0,0,0,1|2,0,0]=4 2988 B12R0.224 C#CC(CCC)OCCOC(=O)N 7a_200011217317_200011214921 [0,1,0,0,0,1|2,0,0]=4 2989 B12R0.224 C=C(C)COCCC(CCC)SC 34a_100000032865_100000748629 [0,1,0,0,0,1|1,0,0]=3 2990 B12R0.224 C=C(C)COCCC(CCC)SC 7a_100000032865_100000748629 [0,1,0,0,0,1|1,0,0]=3 2991 B12R0.224 C=C(F)COCCC(CCC)SC 34a_100000032865_100009893438 [0,1,0,0,0,1|1,0,1]=4 2992 B12R0.224 C=C(F)COCCC(CCC)SC 7a_100000032865_100000042424 [0,1,0,0,0,1|1,0,1]=4 2993 B12R0.224 C=CC(CCC)OCCCC(=O)C 34a_100011216692_100000685027 [0,1,0,0,0,1|2,0,0]=4 2994 B12R0.224 C=CC(CCC)OCCCC(=O)C 7a_100011216692_100011215641 [0,1,0,0,0,1|2,0,0]=4 2995 B12R0.224 C=CC(CCC)OCCNC(=O)C 7a_100011216692_100000189650 [0,1,0,0,0,1|2,0,0]=4 2996 B12R0.224 C=CC(CCC)OCCOC(=O)C 34a_100011216692_100009814007 [0,1,0,0,0,1|1,0,0]=3 2997 B12R0.224 C=CC(CCC)OCCOC(=O)C 7a_100011216692_100009814007 [0,1,0,0,0,1|1,0,0]=3 2998 B12R0.224 C=CC(CCC)OCCOC(=O)N 34a_100011216692_200011214921 [0,1,0,0,0,1|2,0,0]=4 2999 B12R0.224 C=CC(CCC)OCCOC(=O)N 7a_100011216692_200011214921 [0,1,0,0,0,1|2,0,0]=4 3000 B12R0.224 CCC(COC)OCCOC(=O)C 7a_200011214946_100009814007 [0,1,0,0,0,1|2,0,0]=4 3001 B12R0.224 CCCC(C#N)OCCCC(=O)C 34a_100000686963_100000685027 [0,1,0,0,0,1|2,0,0]=4 3002 B12R0.224 CCCC(C#N)OCCCC(=O)C 7a_100000686963_100011215641 [0,1,0,0,0,1|2,0,0]=4 3003 B12R0.224 CCCC(C#N)OCCNC(=O)C 7a_100000686963_100000189650 [0,1,0,0,0,1|2,0,0]=4 3004 B12R0.224 CCCC(C#N)OCCOC(=O)C 34a_100000686963_100009814007 [0,1,0,0,0,1|1,0,0]=3 3005 B12R0.224 CCCC(C#N)OCCOC(=O)C 7a_100000686963_100009814007 [0,1,0,0,0,1|1,0,0]=3 3006 B12R0.224 CCCC(C#N)OCCOC(=O)N 34a_100000686963_200011214921 [0,1,0,0,0,1|2,0,0]=4 3007 B12R0.224 CCCC(C#N)OCCOC(=O)N 7a_100000686963_200011214921 [0,1,0,0,0,1|2,0,0]=4 3008 B12R0.224 CCCC(CC)NCCNC(=O)C 2230a_100000747048_100000189650 [0,1,0,0,0,1|2,0,0]=4 3009 B12R0.224 CCCC(CC)OCCCC(=O)C 34a_100000687864_100000685027 [0,1,0,0,0,1|2,0,0]=4 3010 B12R0.224 CCCC(CC)OCCCC(=O)C 7a_100000687864_100011215641 [0,1,0,0,0,1|2,0,0]=4 3011 B12R0.224 CCCC(CC)OCCCC(=O)C 7a_100000759063_100011219200 [0,1,0,0,0,1|2,0,0]=4 3012 B12R0.224 CCCC(CC)OCCNC(=O)C 7a_100000687864_100000189650 [0,1,0,0,0,1|2,0,0]=4 3013 B12R0.224 CCCC(CC)OCCOC(=O)C 34a_100000687864_100009814007 [0,1,0,0,0,1|1,0,0]=3 3014 B12R0.224 CCCC(CC)OCCOC(=O)C 7a_100000687864_100009814007 [0,1,0,0,0,1|1,0,0]=3 3015 B12R0.224 CCCC(CC)OCCOC(=O)N 34a_100000687864_200011214921 [0,1,0,0,0,1|2,0,0]=4 3016 B12R0.224 CCCC(CC)OCCOC(=O)N 7a_100000687864_200011214921 [0,1,0,0,0,1|2,0,0]=4 3017 B12R0.224 CCCC(CC)OCCOC(=O)N 7a_100000766696_100011219200 [0,1,0,0,0,1|2,0,0]=4 3018 B12R0.224 CCCC(CC)SCCCC(=O)C 62a_100011215641_100011219200 [0,1,0,0,0,1|2,0,0]=4 3019 B12R0.224 CCCC(CC)SCCCC(=O)C 62a_100011219200_100011215641 [0,1,0,0,0,1|2,0,0]=4 3020 B12R0.224 CCCC(CC)SCCNC(=O)C 62a_100000189650_100011219200 [0,1,0,0,0,1|2,0,0]=4 3021 B12R0.224 CCCC(CC)SCCNC(=O)C 62a_100011219200_100000189650 [0,1,0,0,0,1|2,0,0]=4 3022 B12R0.224 CCCC(CC)SCCOC(=O)C 62a_100009814007_100011219200 [0,1,0,0,0,1|1,0,0]=3 3023 B12R0.224 CCCC(CC)SCCOC(=O)C 62a_100011219200_100009814007 [0,1,0,0,0,1|1,0,0]=3 3024 B12R0.224 CCCC(CC)SCCOC(=O)N 62a_100011219200_200011214921 [0,1,0,0,0,1|2,0,0]=4 3025 B12R0.224 CCCC(CC)SCCOC(=O)N 62a_200011214921_100011219200 [0,1,0,0,0,1|2,0,0]=4 3026 B12R0.224 CCCC(CCOCC(=O)N)SC 34a_100000032865_100000187820 [0,1,0,0,0,1|1,0,0]=3 3027 B12R0.224 CCCC(CCOCC(=O)N)SC 7a_100000032865_100000187820 [0,1,0,0,0,1|1,0,0]=3 3028 B12R0.224 CCCC(CCOCC(=O)[O-])SC 34a_100000032865_100020667443 [0,1,0,0,0,1|1,0,0]=3 3029 B12R0.224 CCCC(CCOCC(C)C)SC 34a_100000032865_100000210624 [0,1,0,0,0,1|1,0,1]=4 3030 B12R0.224 CCCC(CCOCC(C)C)SC 7a_100000032865_100000210760 [0,1,0,0,0,1|1,0,1]=4 3031 B12R0.224 CCCC(CCOCC(C)O)SC 34a_100000032865_100011218427 [0,1,0,0,0,1|0,0,2]=4 3032 B12R0.224 CCCC(CCOCC(C)O)SC 7a_100000032865_100011218427 [0,1,0,0,0,1|0,0,2]=4 3033 B12R0.224 CCCC(CCOC[C@@H](C)O)SC 34a_100000032865_100009817552 [0,1,0,0,0,1|0,0,2]=4 3034 B12R0.224 CCCC(CCOC[C@@H](C)O)SC 7a_100000032865_100009817552 [0,1,0,0,0,1|0,0,2]=4 3035 B12R0.224 CCCC(CCOC[N+](=O)[O-])SC 34a_100000032865_100000761209 [0,1,0,0,0,1|2,0,0]=4 3036 B12R0.224 CCCN(CC)CCCOC(=O)C 269982a_100000226822_100000042594 [0,1,0,0,0,1|2,0,0]=4 3037 B12R0.224 CCC[C@@H](CO)NCCCC(=O)C 34a_100000732646_100000685027 [0,1,0,0,0,1|1,1,0]=4 3038 B12R0.224 CCC[C@@H](CO)NCCNC(=O)C 2230a_100000732646_100000189650 [0,1,0,0,0,1|1,1,0]=4 3039 B12R0.224 CCC[C@@H](CO)NCCOC(=O)C 34a_100000732646_100009814007 [0,1,0,0,0,1|0,1,0]=3 3040 B12R0.224 CCC[C@@H](CO)NCCOC(=O)N 34a_100000732646_200011214921 [0,1,0,0,0,1|1,1,0]=4 3041 B12R0.224 CCOC(CC)CNCOC(=O)C 34a_100015183923_100009813279 [0,1,0,0,0,1|2,0,0]=4 3042 B12R0.224 COCC(CCl)OCCOC(=O)C 34a_100011215053_100009814007 [0,1,0,0,0,1|2,0,0]=4 3043 B12R0.224 COCC(CN)OCCOC(=O)C 34a_100000756049_100009814007 [0,1,0,0,0,1|2,0,0]=4 3044 B12R0.224 COCC(CO)NCCOC(=O)C 34a_100000724102_100009814007 [0,1,0,0,0,1|1,1,0]=4 3045 B12R0.270 C=C(C)COCC[C@@H](N)CC(C)C 34a_100161151251_100000748629 [0,1,0,0,0,1|2,0,0]=4 3046 B12R0.270 CC(=O)CCCOC(C)CC(C)C 34a_100000211805_100000685027 [0,1,0,0,0,1|2,0,0]=4 3047 B12R0.270 CC(=O)CCCOC(C)CC(C)C 34a_100000759063_100000731052 [0,1,0,0,0,1|2,0,0]=4 3048 B12R0.270 CC(=O)CCCOC(C)CC(C)C 7a_100000211805_100011215641 [0,1,0,0,0,1|2,0,0]=4 3049 B12R0.270 CC(=O)CCCOC(C)CC(C)C 7a_100000759063_100000731052 [0,1,0,0,0,1|2,0,0]=4 3050 B12R0.270 CC(=O)CCCSC(C)CC(C)C 62a_100000731052_100011215641 [0,1,0,0,0,1|2,0,0]=4 3051 B12R0.270 CC(=O)CCCSC(C)CC(C)C 62a_100011215641_100000731052 [0,1,0,0,0,1|2,0,0]=4 3052 B12R0.270 CC(=O)NCCNC(C)CC(C)C 2230a_100000209853_100000731052 [0,1,0,0,0,1|2,0,0]=4 3053 B12R0.270 CC(=O)NCCNC(C)CC(C)C 2230a_100000692259_100000189650 [0,1,0,0,0,1|2,0,0]=4 3054 B12R0.270 CC(=O)NCCOC(C)CC(C)C 34a_100000158858_100000731052 [0,1,0,0,0,1|2,0,0]=4 3055 B12R0.270 CC(=O)NCCOC(C)CC(C)C 7a_100000211805_100000189650 [0,1,0,0,0,1|2,0,0]=4 3056 B12R0.270 CC(=O)NCCSC(C)CC(C)C 62a_100000189650_100000731052 [0,1,0,0,0,1|2,0,0]=4 3057 B12R0.270 CC(=O)NCCSC(C)CC(C)C 62a_100000731052_100000189650 [0,1,0,0,0,1|2,0,0]=4 3058 B12R0.270 CC(=O)OCCCC(=O)CC(C)C 1458a_100000210554_100000042594 [0,1,0,0,0,1|0,1,1]=4 3059 B12R0.270 CC(=O)OCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000042594 [0,1,0,0,0,1|0,1,1]=4 3060 B12R0.270 CC(=O)OCCCN(C)CC(C)C 269982a_100000747067_100000042594 [0,1,0,0,0,1|2,0,0]=4 3061 B12R0.270 CC(=O)OCCCN(C)CC(C)O 269982a_100000227577_100000042594 [0,1,0,0,0,1|2,0,0]=4 3062 B12R0.270 CC(=O)OCCNC(=O)CC(C)C 11a_100000724843_100000210554 [0,1,0,0,0,1|0,1,1]=4 3063 B12R0.270 CC(=O)OCCNC(=O)CC(C)C 240690a_100000724843_100000210554 [0,1,0,0,0,1|0,1,1]=4 3064 B12R0.270 CC(=O)OCCNC(=O)CC(C)C 527a_100000724843_100000210554 [0,1,0,0,0,1|0,1,1]=4 3065 B12R0.270 CC(=O)OCCNC(=O)C[C@@H](C)O 240690a_100000724843_100011933948 [0,1,0,0,0,1|0,1,1]=4 3066 B12R0.270 CC(=O)OCCOC(C)CC(C)C 34a_100000211805_100009814007 [0,1,0,0,0,1|1,0,0]=3 3067 B12R0.270 CC(=O)OCCOC(C)CC(C)C 7a_100000211805_100009814007 [0,1,0,0,0,1|1,0,0]=3 3068 B12R0.270 CC(=O)OCCSC(C)CC(C)C 62a_100000731052_100009814007 [0,1,0,0,0,1|1,0,0]=3 3069 B12R0.270 CC(=O)OCCSC(C)CC(C)C 62a_100009814007_100000731052 [0,1,0,0,0,1|1,0,0]=3 3070 B12R0.270 CC(=O)OCCSC(C)CN(C)C 62a_100009814007_100020606517 [0,1,0,0,0,1|2,0,0]=4 3071 B12R0.270 CC(=O)OCCSC(C)CN(C)C 62a_100020606517_100009814007 [0,1,0,0,0,1|2,0,0]=4 3072 B12R0.270 CC(=O)OCOC[C@@H](N)CC(C)C 34a_100011830311_100009813279 [0,1,0,0,0,1|1,0,0]=3 3073 B12R0.270 CC(=O)OCSCC(C)CN(C)C 62a_100000076356_100015348159 [0,1,0,0,0,1|2,0,0]=4 3074 B12R0.270 CC(=O)OCSCC(C)CN(C)C 62a_100015348159_100000076356 [0,1,0,0,0,1|2,0,0]=4 3075 B12R0.270 CC(C)CC(C)OCCOC(=O)N 34a_100000211805_200011214921 [0,1,0,0,0,1|2,0,0]=4 3076 B12R0.270 CC(C)CC(C)OCCOC(=O)N 7a_100000211805_200011214921 [0,1,0,0,0,1|2,0,0]=4 3077 B12R0.270 CC(C)CC(C)OCCOC(=O)N 7a_100000766696_100000731052 [0,1,0,0,0,1|2,0,0]=4 3078 B12R0.270 CC(C)CC(C)SCCOC(=O)N 62a_100000731052_200011214921 [0,1,0,0,0,1|2,0,0]=4 3079 B12R0.270 CC(C)CC(C)SCCOC(=O)N 62a_200011214921_100000731052 [0,1,0,0,0,1|2,0,0]=4 3080 B12R0.270 CC(C)C[C@H](N)CCOCC(=O)N 34a_100161151251_100000187820 [0,1,0,0,0,1|2,0,0]=4 3081 B12R0.270 CC(C)C[C@H](N)CCOCC(=O)[O-] 34a_100161151251_100020667443 [0,1,0,0,0,1|2,0,0]=4 3082 B12R0.272 CCCC(=O)CSC(C)OC(=O)C 62a_100000747444_100009818208 [0,1,0,0,0,1|0,1,1]=4 3083 B12R0.272 CCCC(=O)CSC(C)OC(=O)C 62a_100009818208_100000747444 [0,1,0,0,0,1|0,1,1]=4 3084 B12R0.272 CCCC(C)CSC(C)OC(=O)C 62a_100009818208_100011216630 [0,1,0,0,0,1|1,0,0]=3 3085 B12R0.272 CCCC(C)CSC(C)OC(=O)C 62a_100011216630_100009818208 [0,1,0,0,0,1|1,0,0]=3 3086 B12R0.272 COCC(O)CSC(C)OC(=O)C 62a_100009818208_100011215053 [0,1,0,0,0,1|1,1,0]=4 3087 B12R0.272 COCC(O)CSC(C)OC(=O)C 62a_100011215053_100009818208 [0,1,0,0,0,1|1,1,0]=4 3088 B12R0.276 C=CC(=O)OCCNC(C)CCC 2230a_100000741246_100009813456 [0,1,0,0,0,1|1,0,1]=4 3089 B12R0.276 C=CC(=O)OCCOC(C)CCC 34a_100000764384_100009813456 [0,1,0,0,0,1|1,0,1]=4 3090 B12R0.276 C=CC(=O)OCCOC(C)CCC 7a_100000764384_100009813456 [0,1,0,0,0,1|1,0,1]=4 3091 B12R0.276 C=CC(=O)OCCSC(C)CCC 62a_100000766640_100009813456 [0,1,0,0,0,1|1,0,1]=4 3092 B12R0.276 C=CC(=O)OCCSC(C)CCC 62a_100009813456_100000766640 [0,1,0,0,0,1|1,0,1]=4 3093 B12R0.276 CCC(=O)OCCOC(C)CCO 7a_200000031056_100009893172 [0,1,0,0,0,1|2,0,0]=4 3094 B12R0.276 CCC(=O)OCCOC(C)COC 7a_200000031056_100000765312 [0,1,0,0,0,1|2,0,0]=4 3095 B12R0.276 CCCC(=O)CCOCC(=O)OC 1458a_100000211992_100000090808 [0,1,0,0,0,1|0,1,1]=4 3096 B12R0.276 CCCC(=O)CSCOC(=O)OC 62a_100000747444_100000139417 [0,1,0,0,0,1|0,1,1]=4 3097 B12R0.276 CCCC(C)CCOCC(=O)CC 7a_100011217855_100000747405 [0,1,0,0,0,1|1,0,0]=3 3098 B12R0.276 CCCC(C)CCOCC(=O)NC 34a_100011217855_100000183359 [0,1,0,0,0,1|1,0,0]=3 3099 B12R0.276 CCCC(C)CCOCC(=O)NC 7a_100011217855_100000183359 [0,1,0,0,0,1|1,0,0]=3 3100 B12R0.276 CCCC(C)CCOCC(=O)OC 34a_100011217855_100000747449 [0,1,0,0,0,1|1,0,0]=3 3101 B12R0.276 CCCC(C)CCOCC(=O)OC 7a_100011217855_100000747449 [0,1,0,0,0,1|1,0,0]=3 3102 B12R0.276 CCCC(C)CNCCC(=O)NC 2230a_100000738227_100011216630 [0,1,0,0,0,1|2,0,0]=4 3103 B12R0.276 CCCC(C)CNCCC(=O)NC 270004a_100000738227_100000243154 [0,1,0,0,0,1|2,0,0]=4 3104 B12R0.276 CCCC(C)CNCCC(=O)NC 34a_100000738227_100011216630 [0,1,0,0,0,1|2,0,0]=4 3105 B12R0.276 CCCC(C)COCCC(=O)NC 34a_100000688023_100012179268 [0,1,0,0,0,1|2,0,0]=4 3106 B12R0.276 CCCC(C)COCCC(=O)NC 34a_100000754576_100011216630 [0,1,0,0,0,1|2,0,0]=4 3107 B12R0.276 CCCC(C)COCCC(=O)NC 7a_100000688023_100000737683 [0,1,0,0,0,1|2,0,0]=4 3108 B12R0.276 CCCC(C)COCCC(=O)OC 34a_100000688023_100000742370 [0,1,0,0,0,1|2,0,0]=4 3109 B12R0.276 CCCC(C)COCCC(=O)OC 7a_100000688023_100000204255 [0,1,0,0,0,1|2,0,0]=4 3110 B12R0.276 CCCC(C)CSCCC(=O)NC 62a_100000737683_100011216630 [0,1,0,0,0,1|2,0,0]=4 3111 B12R0.276 CCCC(C)CSCCC(=O)NC 62a_100011216630_100000737683 [0,1,0,0,0,1|2,0,0]=4 3112 B12R0.276 CCCC(C)CSCCC(=O)OC 62a_100000204255_100011216630 [0,1,0,0,0,1|2,0,0]=4 3113 B12R0.276 CCCC(C)CSCCC(=O)OC 62a_100011216630_100000204255 [0,1,0,0,0,1|2,0,0]=4 3114 B12R0.276 CCCC(C)CSCOC(=O)OC 62a_100011216630_100000139417 [0,1,0,0,0,1|1,0,0]=3 3115 B12R0.276 CCCC(C)NCCCC(=O)NC 2230a_100000740002_100000766640 [0,1,0,0,0,1|2,0,0]=4 3116 B12R0.276 CCCC(C)NCCCC(=O)NC 2230a_100000741246_100000741757 [0,1,0,0,0,1|2,0,0]=4 3117 B12R0.276 CCCC(C)NCCCC(=O)NC 270004a_100000740002_100000211909 [0,1,0,0,0,1|2,0,0]=4 3118 B12R0.276 CCCC(C)NCCCC(=O)NC 34a_100000740002_100000766640 [0,1,0,0,0,1|2,0,0]=4 3119 B12R0.276 CCCC(C)NCCCC(=O)OC 2230a_100000741246_100011218270 [0,1,0,0,0,1|2,0,0]=4 3120 B12R0.276 CCCC(C)NCCNC(=O)CC 270004a_100132302217_100000211909 [0,1,0,0,0,1|2,0,0]=4 3121 B12R0.276 CCCC(C)NCCNC(=O)CC 34a_100132302217_100000766640 [0,1,0,0,0,1|2,0,0]=4 3122 B12R0.276 CCCC(C)NCCNC(=O)NC 34a_100015205895_100000766640 [0,1,0,0,0,1|2,0,0]=4 3123 B12R0.276 CCCC(C)OCCCC(=O)NC 34a_100000764384_100000741757 [0,1,0,0,0,1|2,0,0]=4 3124 B12R0.276 CCCC(C)OCCCC(=O)NC 7a_100000764384_100000741757 [0,1,0,0,0,1|2,0,0]=4 3125 B12R0.276 CCCC(C)OCCCC(=O)OC 34a_100000764384_100000742333 [0,1,0,0,0,1|2,0,0]=4 3126 B12R0.276 CCCC(C)OCCCC(=O)OC 7a_100000764384_100011218270 [0,1,0,0,0,1|2,0,0]=4 3127 B12R0.276 CCCC(C)OCCNC(=O)CC 34a_200000158885_100000766640 [0,1,0,0,0,1|2,0,0]=4 3128 B12R0.276 CCCC(C)OCCNC(=O)CC 7a_200000158885_100000766640 [0,1,0,0,0,1|2,0,0]=4 3129 B12R0.276 CCCC(C)OCCNC(=O)OC 34a_100000757965_100000766640 [0,1,0,0,0,1|2,0,0]=4 3130 B12R0.276 CCCC(C)OCCOC(=O)CC 7a_200000031056_100000766640 [0,1,0,0,0,1|1,0,0]=3 3131 B12R0.276 CCCC(C)OCCOC(=O)NC 34a_100000764384_200011997002 [0,1,0,0,0,1|1,0,0]=3 3132 B12R0.276 CCCC(C)OCCOC(=O)NC 7a_100000764384_200011997002 [0,1,0,0,0,1|1,0,0]=3 3133 B12R0.276 CCCC(C)OCCOC(=O)OC 34a_100010262106_100000766640 [0,1,0,0,0,1|1,0,0]=3 3134 B12R0.276 CCCC(C)SCCCC(=O)NC 62a_100000741757_100000766640 [0,1,0,0,0,1|2,0,0]=4 3135 B12R0.276 CCCC(C)SCCCC(=O)NC 62a_100000766640_100000741757 [0,1,0,0,0,1|2,0,0]=4 3136 B12R0.276 CCCC(C)SCCCC(=O)OC 62a_100000766640_100011218270 [0,1,0,0,0,1|2,0,0]=4 3137 B12R0.276 CCCC(C)SCCCC(=O)OC 62a_100011218270_100000766640 [0,1,0,0,0,1|2,0,0]=4 3138 B12R0.276 CCCC(C)SCCOC(=O)NC 62a_100000766640_200011997002 [0,1,0,0,0,1|1,0,0]=3 3139 B12R0.276 CCCC(C)SCCOC(=O)NC 62a_200011997002_100000766640 [0,1,0,0,0,1|1,0,0]=3 3140 B12R0.276 CCCN(C)CCOCC(=O)OC 2230a_100000747261_100000090808 [0,1,0,0,0,1|2,0,0]=4 3141 B12R0.276 CCC[C@H](N)CCOCC(=O)NC 34a_100015193777_100000183359 [0,1,0,0,0,1|1,0,0]=3 3142 B12R0.276 CCC[C@H](N)CCOCC(=O)OC 34a_100015193777_100000747449 [0,1,0,0,0,1|1,0,0]=3 3143 B12R0.276 CCC[C@H](N)COCCC(=O)NC 34a_100000732646_100012179268 [0,1,0,0,0,1|2,0,0]=4 3144 B12R0.276 CCC[C@H](N)COCCC(=O)OC 34a_100000732646_100000742370 [0,1,0,0,0,1|2,0,0]=4 3145 B12R0.276 CNC(=O)OCCN[C@H](C)CCO 34a_100000706166_200011997002 [0,1,0,0,0,1|2,0,0]=4 3146 B12R0.276 CNC(=O)OCCOC(C)CCBr 34a_100012276601_200011997002 [0,1,0,0,0,1|2,0,0]=4 3147 B12R0.276 CNC(=O)OCCO[C@H](C)COC 34a_100011934205_200011997002 [0,1,0,0,0,1|2,0,0]=4 3148 B12R0.276 CNC(=O)OCCSC(C)CCO 62a_100009893172_200011997002 [0,1,0,0,0,1|2,0,0]=4 3149 B12R0.276 CNC(=O)OCCSC(C)CCO 62a_200011997002_100009893172 [0,1,0,0,0,1|2,0,0]=4 3150 B12R0.276 CNC(=O)OCCSC(C)COC 62a_100000765312_200011997002 [0,1,0,0,0,1|2,0,0]=4 3151 B12R0.276 CNC(=O)OCCSC(C)COC 62a_200011997002_100000765312 [0,1,0,0,0,1|2,0,0]=4 3152 B12R0.276 COC(=O)OCCOC(C)CCO 34a_100010262106_100009893172 [0,1,0,0,0,1|2,0,0]=4 3153 B12R0.276 COCC(C)OCCOC(=O)OC 34a_100010262106_100000765312 [0,1,0,0,0,1|2,0,0]=4 3154 B12R0.276 COCC(O)CSCOC(=O)OC 62a_100011215053_100000139417 [0,1,0,0,0,1|1,1,0]=4 3155 B12R0.279 CCCC(C)CCOC(C)C(=O)C 7a_100011217855_100000179758 [0,1,0,0,0,1|1,0,0]=3 3156 B12R0.279 CCCC(C)CCOC(C)C(=O)N 34a_100011217855_100000702099 [0,1,0,0,0,1|2,0,0]=4 3157 B12R0.279 CCCC(C)CCOC(C)C(=O)N 7a_100011217855_100000702099 [0,1,0,0,0,1|2,0,0]=4 3158 B12R0.279 CCCC(C)CCOC(F)C(=O)N 34a_100011217855_100009813875 [0,1,0,0,0,1|2,0,0]=4 3159 B12R0.279 CCCC(C)CCOC(F)C(=O)N 7a_100011217855_100009813875 [0,1,0,0,0,1|2,0,0]=4 3160 B12R0.279 CCCC(C)CCOC(F)C(=O)[O-] 34a_100011217855_100020610796 [0,1,0,0,0,1|2,0,0]=4 3161 B12R0.279 CCCC(C)COCC(=O)C(=O)C 34a_100000688023_100011261029 [0,1,0,0,0,1|2,0,0]=4 3162 B12R0.279 CCCC(C)COCC(C)C(=O)C 34a_100000032740_100011216630 [0,1,0,0,0,1|2,0,0]=4 3163 B12R0.279 CCCC(C)COCC(C)C(=O)C 7a_100000032740_100011216630 [0,1,0,0,0,1|2,0,0]=4 3164 B12R0.279 CCCC(C)CSCC(=O)C(=O)C 62a_100011216630_100011261029 [0,1,0,0,0,1|2,0,0]=4 3165 B12R0.279 CCCC(C)CSCC(=O)C(=O)C 62a_100011261029_100011216630 [0,1,0,0,0,1|2,0,0]=4 3166 B12R0.279 CCC[C@H](N)CCOC(C)C(=O)N 34a_100015193777_100000702099 [0,1,0,0,0,1|2,0,0]=4 3167 B12R0.279 CCC[C@H](N)CCOC(F)C(=O)N 34a_100015193777_100009813875 [0,1,0,0,0,1|2,0,0]=4 3168 B12R0.279 CCC[C@H](N)CCOC(F)C(=O)[O-] 34a_100015193777_100020610796 [0,1,0,0,0,1|2,0,0]=4 3169 B12R0.279 CCC[C@H](N)COCC(=O)C(=O)C 34a_100000732646_100011261029 [0,1,0,0,0,1|2,0,0]=4 3170 B12R0.283 CC(=O)OCC(C)N[C@H](C)CCO 270004a_100000706166_100000000629 [0,1,0,0,0,1|2,0,0]=4 3171 B12R0.283 CCCC(=O)CC(=O)COC(=O)C 1458a_100000183556_100000747444 [0,1,0,0,0,1|0,1,1]=4 3172 B12R0.283 CCCC(C)CC(=O)CNC(=O)C 1458a_100000194580_100011216630 [0,1,0,0,0,1|2,0,0]=4 3173 B12R0.283 CCCC(C)CC(=O)COC(=O)C 1458a_100000183556_100011216630 [0,1,0,0,0,1|1,0,0]=3 3174 B12R0.283 CCCC(C)CC(=O)CSC(=O)C 1458a_100000049016_100011216630 [0,1,0,0,0,1|1,1,0]=4 3175 B12R0.283 CCCC(C)NC(=O)COC(=O)C 1626a_100000741246_100000183556 [0,1,0,0,0,1|1,0,1]=4 3176 B12R0.283 CCCC(C)NC(=O)COC(=O)C 240690a_100000741246_100000183556 [0,1,0,0,0,1|1,0,1]=4 3177 B12R0.283 CCCC(C)NC(=O)COC(=O)C 527a_100000741246_100000183556 [0,1,0,0,0,1|1,0,1]=4 3178 B12R0.283 CCCC(C)NC(C)COC(=O)C 270004a_100000741246_100000000629 [0,1,0,0,0,1|1,0,0]=3 3179 B12R0.283 CCCN(C)CC(=O)COC(=O)C 269982a_100000747261_100000036994 [0,1,0,0,0,1|2,0,0]=4 3180 B12R0.283 CCCN(C)CC(O)COC(=O)C 269982a_100000747261_200000139349 [0,1,0,0,0,1|2,0,0]=4 3181 B12R0.283 COCC(O)CN(C)COC(=O)C 269982a_100000739405_100000076356 [0,1,0,0,0,1|1,1,0]=4 3182 B12R0.283 COC[C@@H](C)NC(C)COC(=O)C 270004a_100000764878_100000000629 [0,1,0,0,0,1|2,0,0]=4 3183 B12R0.2 CCCCC(C)SC(C)OC(=O)C 62a_100009818208_200011215066 [0,2,0,0,0,0|2,0,0]=4 3184 B12R0.2 CCCCC(C)SC(C)OC(=O)C 62a_200011215066_100009818208 [0,2,0,0,0,0|2,0,0]=4 3185 B12R0.3 CC(=O)OC(C)SC(C)CC(C)C 62a_100000731052_100009818208 [0,2,0,0,0,0|2,0,0]=4 3186 B12R0.3 CC(=O)OC(C)SC(C)CC(C)C 62a_100009818208_100000731052 [0,2,0,0,0,0|2,0,0]=4 3187 B12R0.191 CCCC(C)C(=O)C(C)OC(=O)C 1458a_100000210906_100009818208 [0,2,0,0,0,0|1,0,1]=4 3188 B12R0.191 CCCC(C)C(=O)[C@H](C)OC(=O)C 1458a_100009816467_100000766640 [0,2,0,0,0,0|1,0,1]=4 3189 B12R0.191 CCC[C@H](O)C(=O)C(C)OC(=O)C 1458a_100009822183_100009818208 [0,2,0,0,0,0|0,1,1]=4 3190 B12R0.297 CCCC(CC)SC(C)OC(=O)C 62a_100009818208_100011219200 [0,2,0,0,0,0|2,0,0]=4 3191 B12R0.297 CCCC(CC)SC(C)OC(=O)C 62a_100011219200_100009818208 [0,2,0,0,0,0|2,0,0]=4 3192 B12R0.428 CCOC(C)(C)CC(C)OC(=O)C 7a_100103282973_100000210202 [0,2,0,0,0,0|2,0,0]=4 3193 B12R0.140 CC(=O)OCCC(=O)CC(C)(C)C 1458a_100000211214_100009814007 [0,2,0,0,0,0|0,1,1]=4 3194 B12R0.140 CC(=O)OCCC(=O)CC(C)(C)O 1458a_100000693243_100009814007 [0,2,0,0,0,0|0,1,1]=4 3195 B12R0.140 CC(=O)OCCN(C)CC(C)(C)C 269982a_100000742839_100009814007 [0,2,0,0,0,0|2,0,0]=4 3196 B12R0.140 CC(=O)OCCN(C)CC(C)(C)O 269982a_100000755907_100009814007 [0,2,0,0,0,0|2,0,0]=4 3197 B12R0.240 C=CC(C)CC(=O)CCOC(=O)C 1458a_100011934298_100009814007 [0,2,0,0,0,0|0,1,1]=4 3198 B12R0.240 CC(=O)OCCN(C)CC(O)CO 269982a_100011216503_100009814007 [0,2,0,0,0,0|2,0,0]=4 3199 B12R0.240 CCC(C)CC(=O)CCOC(=O)C 1458a_100000708755_100009814007 [0,2,0,0,0,0|0,1,1]=4 3200 B12R0.240 CCC(C)CN(C)CCOC(=O)C 269982a_100000753921_100009814007 [0,2,0,0,0,0|2,0,0]=4 3201 B12R0.240 CCC(O)CC(=O)CCOC(=O)C 1458a_100011667805_100009814007 [0,2,0,0,0,0|0,1,1]=4 3202 B12R0.240 CCN(C)CC(=O)CCOC(=O)C 1458a_100116209913_100009814007 [0,2,0,0,0,0|0,1,1]=4 3203 B12R0.241 CNC(=O)OCCC(=O)CC(C)C 1458a_100000210554_200011997002 [0,2,0,0,0,0|0,1,1]=4 3204 B12R0.241 CNC(=O)OCCC(=O)C[C@@H](C)O 1458a_100011933948_200011997002 [0,2,0,0,0,0|0,1,1]=4 3205 B12R0.241 CNC(=O)OCCN(C)CC(C)C 269982a_100000747067_200011997002 [0,2,0,0,0,0|2,0,0]=4 3206 B12R0.241 CNC(=O)OCCN(C)CC(C)O 269982a_100000227577_200011997002 [0,2,0,0,0,0|2,0,0]=4 3207 B12R0.241 COC(=O)OCSC(C)CC(C)C 62a_100000731052_100000139417 [0,2,0,0,0,0|2,0,0]=4 3208 B12R0.258 CC(=O)OCC(=O)C(C)CC(C)C 1458a_100000183556_100000731052 [0,2,0,0,0,0|1,0,1]=4 3209 B12R0.258 CC(=O)OCC(C)N(C)CC(C)C 270004a_100000747067_100000000629 [0,2,0,0,0,0|2,0,0]=4 3210 B12R0.258 CC(=O)OCC(C)N(C)CC(C)O 270004a_100000227577_100000000629 [0,2,0,0,0,0|2,0,0]=4 3211 B12R0.258 CC(=O)OCN(C)C(C)CC(C)C 269982a_100000745462_100000076356 [0,2,0,0,0,0|2,0,0]=4 3212 B12R0.535 C#CC(CC(C)C)OCOC(=O)C 34a_100011215986_100009813279 [0,2,0,0,0,0|2,0,0]=4 3213 B12R0.535 C=CC(CC(C)C)OCOC(=O)C 34a_100012186643_100009813279 [0,2,0,0,0,0|2,0,0]=4 3214 B12R0.535 CC(=O)OCN[C@H](CO)CC(C)C 34a_100011830311_100009813279 [0,2,0,0,0,0|1,1,0]=4 3215 B12R0.535 CC(=O)OCOC(C#N)CC(C)C 34a_200011294978_100009813279 [0,2,0,0,0,0|2,0,0]=4 3216 B12R0.535 CCN(CCOC(=O)C)CC(C)C 269982a_100000738554_100009814007 [0,2,0,0,0,0|2,0,0]=4 3217 B12R0.535 CCN(CCOC(=O)C)C[C@H](C)O 269982a_100000729506_100009814007 [0,2,0,0,0,0|2,0,0]=4 3218 B12R0.686 CC(=O)OCCC(=O)C(C)C(C)C 1458a_100000755409_100009814007 [0,2,0,0,0,0|0,1,1]=4 3219 B12R0.686 CC(=O)OCCC(=O)[C@H](O)C(C)C 1458a_100000691806_100009814007 [0,2,0,0,0,0|0,1,1]=4 3220 B12R0.686 CC(=O)OCCN(C)C(C)C(C)C 269982a_100000228512_100009814007 [0,2,0,0,0,0|2,0,0]=4 3221 B12R0.30 CCCC(CC)C(=O)COC(=O)C 1458a_100000183556_100011219200 [0,2,0,0,0,0|1,0,1]=4 3222 B12R0.30 CCCN(CC)C(C)COC(=O)C 270004a_100000226822_100000000629 [0,2,0,0,0,0|2,0,0]=4 3223 B12R0.164 C/C=C/C(CCC)OCOC(=O)C 34a_200016264281_100009813279 [0,2,0,0,0,0|2,0,0]=4 3224 B12R0.164 C=CCC(CCC)OCOC(=O)C 34a_100011215139_100009813279 [0,2,0,0,0,0|2,0,0]=4 3225 B12R0.164 CCCC(CCC)NCOC(=O)C 34a_100011207992_100009813279 [0,2,0,0,0,0|2,0,0]=4 3226 B12R0.164 CCCC(CCC)OCOC(=O)C 34a_200011218534_100009813279 [0,2,0,0,0,0|2,0,0]=4 3227 B12R0.164 CCCC(CCC)SCOC(=O)C 62a_100000076356_200011218217 [0,2,0,0,0,0|2,0,0]=4 3228 B12R0.164 CCCC(CCC)SCOC(=O)C 62a_200011218217_100000076356 [0,2,0,0,0,0|2,0,0]=4 3229 B12R0.164 CCCN(CCC)CCOC(=O)C 269982a_100000210455_100009814007 [0,2,0,0,0,0|2,0,0]=4 3230 B12R0.164 CCCN(CCO)CCOC(=O)C 269982a_100000211420_100009814007 [0,2,0,0,0,0|1,1,0]=4 3231 B12R0.164 CCC[C@@H](CCO)NCOC(=O)C 34a_100015193777_100009813279 [0,2,0,0,0,0|1,1,0]=4 3232 B12R0.188 CCC(C)N(CC)CCOC(=O)C 269982a_100000732650_100009814007 [0,2,0,0,0,0|2,0,0]=4 3233 B12R0.229 C#CC(C)OCCC(CCC)SC 34a_100000032865_200000035995 [0,2,0,0,0,0|1,0,1]=4 3234 B12R0.229 CCCC(CC)SCOC(=O)OC 62a_100011219200_100000139417 [0,2,0,0,0,0|2,0,0]=4 3235 B12R0.229 CCCC(CCOC(C)C#N)SC 7a_100000032865_100000703298 [0,2,0,0,0,0|1,0,1]=4 3236 B12R0.229 CCCC(CCOC(C)CC)SC 34a_100000032865_100011215416 [0,2,0,0,0,0|1,0,1]=4 3237 B12R0.229 CCCC(CCOC(C)CC)SC 7a_100000032865_100000758301 [0,2,0,0,0,0|1,0,1]=4 3238 B12R0.229 CCCC(CCOC(C)CO)SC 34a_100000032865_100012180447 [0,2,0,0,0,0|0,0,2]=4 3239 B12R0.229 CCCC(CCOC(C)CO)SC 7a_100000032865_100012180447 [0,2,0,0,0,0|0,0,2]=4 3240 B12R0.229 CCCN(CC)CCOC(=O)NC 269982a_100000226822_200011997002 [0,2,0,0,0,0|2,0,0]=4 3241 B12R0.230 CCCC(CCOC(C)(C)C)SC 34a_100000032865_100000210625 [0,2,0,0,0,0|1,0,1]=4 3242 B12R0.254 C#CC(CCCC)OCOC(=O)C 34a_200011217967_100009813279 [0,2,0,0,0,0|2,0,0]=4 3243 B12R0.254 C=CC(CCCC)OCOC(=O)C 34a_200011215037_100009813279 [0,2,0,0,0,0|2,0,0]=4 3244 B12R0.254 CCCCC(CC)OCOC(=O)C 34a_100011215227_100009813279 [0,2,0,0,0,0|2,0,0]=4 3245 B12R0.254 CCCCC(CC)SCOC(=O)C 62a_100000076356_200011216223 [0,2,0,0,0,0|2,0,0]=4 3246 B12R0.254 CCCCC(CC)SCOC(=O)C 62a_200011216223_100000076356 [0,2,0,0,0,0|2,0,0]=4 3247 B12R0.254 CCCCN(CC)CCOC(=O)C 269982a_100000207695_100009814007 [0,2,0,0,0,0|2,0,0]=4 3248 B12R0.254 CCCC[C@@H](CO)NCOC(=O)C 34a_100011934283_100009813279 [0,2,0,0,0,0|1,1,0]=4 3249 B12R0.254 CCN(CCOC)CCOC(=O)C 269982a_100000731262_100009814007 [0,2,0,0,0,0|2,0,0]=4 3250 B12R0.254 CCOCC(CN)OCOC(=O)C 34a_102515437182_100009813279 [0,2,0,0,0,0|2,0,0]=4 3251 B12R0.282 CCCC(C)(CC)SCOC(=O)C 62a_100000076356_200000040151 [0,2,0,0,0,0|2,0,0]=4 3252 B12R0.282 CCCC(C)(CC)SCOC(=O)C 62a_200000040151_100000076356 [0,2,0,0,0,0|2,0,0]=4 3253 B12R0.397 CCCC(OCOC(=O)C)C(=O)N 34a_100011626294_100009813279 [0,2,0,0,0,0|1,1,0]=4 3254 B12R0.397 CCCC(OCOC(=O)C)C(C)C 34a_200011215069_100009813279 [0,2,0,0,0,0|2,0,0]=4 3255 B12R0.397 CCCN(CCOC(=O)C)C(C)C 269982a_106256033942_100009814007 [0,2,0,0,0,0|2,0,0]=4 3256 B12R0.397 CCC[C@H](NCOC(=O)C)C(=O)N 34a_100000729256_100009813279 [0,2,0,0,0,0|1,1,0]=4 3257 B12R0.397 CCC[C@H](NCOC(=O)C)C(=O)O 269956a_100000750406_100000076356 [0,2,0,0,0,0|1,1,0]=4 3258 B12R0.88 CCC(C)N(C)C(C)COC(=O)C 270004a_100000741768_100000000629 [0,2,0,0,0,0|2,0,0]=4 3259 B12R0.98 CC(=O)OCC(C)N(C)CCCO 270004a_100000213112_100000000629 [0,2,0,0,0,0|2,0,0]=4 3260 B12R0.98 CCCCC(C)C(=O)COC(=O)C 1458a_100000183556_200011215066 [0,2,0,0,0,0|1,0,1]=4 3261 B12R0.98 CCCCN(C)C(C)COC(=O)C 270004a_100000207549_100000000629 [0,2,0,0,0,0|2,0,0]=4 3262 B12R0.98 COCCN(C)C(C)COC(=O)C 270004a_100000743101_100000000629 [0,2,0,0,0,0|2,0,0]=4 3263 B12R0.98 CSCCN(C)C(C)COC(=O)C 270004a_100000686725_100000000629 [0,2,0,0,0,0|2,0,0]=4 3264 B12R0.331 CCCNS(=O)(=O)CCOC(=O)C 270084a_100020643023_200000119425 [0,2,0,0,0,0|1,1,0]=4 3265 B12R0.331 CCCNS(=O)(=O)CCOC(=O)C 274078a_100020643023_200000119425 [0,2,0,0,0,0|1,1,0]=4 3266 B12R0.156 CCC(C)C(=O)CCOC(=O)NC 1458a_100011192722_200011997002 [0,2,0,0,0,0|0,1,1]=4 3267 B12R0.156 CCC(C)N(C)CCOC(=O)NC 269982a_100000741768_200011997002 [0,2,0,0,0,0|2,0,0]=4 3268 B12R0.156 CCC(O)C(=O)CCOC(=O)NC 1458a_100011196387_200011997002 [0,2,0,0,0,0|0,1,1]=4 3269 B12R0.349 CCC(C)(C)C(=O)CCOC(=O)C 1458a_100000749717_100009814007 [0,2,0,0,0,0|0,1,1]=4 3270 B12R0.349 CCC(C)(C)N(C)CCOC(=O)C 269982a_200000755171_100009814007 [0,2,0,0,0,0|2,0,0]=4 3271 B12R0.349 CCC(C)(O)C(=O)CCOC(=O)C 1458a_100011219770_100009814007 [0,2,0,0,0,0|0,1,1]=4 3272 B12R0.349 CCC(F)(F)C(=O)CCOC(=O)C 1458a_100000061896_100009814007 [0,2,0,0,0,0|0,1,1]=4 3273 B12R0.677 CCC(CC)C(=O)CCOC(=O)C 1458a_100000211163_100009814007 [0,2,0,0,0,0|0,1,1]=4 3274 B12R0.677 CCC(CC)N(C)CCOC(=O)C 269982a_100000737045_100009814007 [0,2,0,0,0,0|2,0,0]=4 3275 B12R0.677 CCC(OC)C(=O)CCOC(=O)C 1458a_100000747056_100009814007 [0,2,0,0,0,0|0,1,1]=4 3276 B12R0.44 C=C(C)CCC(=O)CCOC(=O)C 1458a_200000688413_100009814007 [0,2,0,0,0,0|0,1,1]=4 3277 B12R0.44 CC(=O)OCCC(=O)CCC(C)C 1458a_100000181311_100009814007 [0,2,0,0,0,0|0,1,1]=4 3278 B12R0.44 CC(=O)OCCC(=O)CC[S+](C)C 1458a_100009452791_100009814007 [0,2,0,0,0,0|0,1,1]=4 3279 B12R0.44 CC(=O)OCCC(=O)COC(C)C 1458a_100000745533_100009814007 [0,2,0,0,0,0|0,1,1]=4 3280 B12R0.44 CC(=O)OCCC(=O)CSC(C)C 1458a_100000241585_100009814007 [0,2,0,0,0,0|0,1,1]=4 3281 B12R0.44 CC(=O)OCCN(C)CCC(C)C 269982a_100000742789_100009814007 [0,2,0,0,0,0|2,0,0]=4 3282 B12R0.44 CC(=O)OCCN(C)CCN(C)C 269982a_100000225618_100009814007 [0,2,0,0,0,0|2,0,0]=4 3283 B12R0.44 CC(=O)OCOC(C)CCC(C)C 34a_100011215350_100009813279 [0,2,0,0,0,0|2,0,0]=4 3284 B12R0.44 CC(=O)OCSC(C)CCC(C)C 62a_100000076356_100011261404 [0,2,0,0,0,0|2,0,0]=4 3285 B12R0.44 CC(=O)OCSC(C)CCC(C)C 62a_100011261404_100000076356 [0,2,0,0,0,0|2,0,0]=4 3286 B12R0.102 CCCCC(=O)CCOC(=O)NC 1458a_100000210183_200011997002 [0,2,0,0,0,0|0,1,1]=4 3287 B12R0.102 CCCCC(C)SCOC(=O)OC 62a_200011215066_100000139417 [0,2,0,0,0,0|2,0,0]=4 3288 B12R0.102 CCCCN(C)CCOC(=O)NC 269982a_100000207549_200011997002 [0,2,0,0,0,0|2,0,0]=4 3289 B12R0.102 CCOCC(=O)CCOC(=O)NC 1458a_100000211967_200011997002 [0,2,0,0,0,0|0,1,1]=4 3290 B12R0.102 CCSCC(=O)CCOC(=O)NC 1458a_100000230394_200011997002 [0,2,0,0,0,0|0,1,1]=4 3291 B12R0.102 CNC(=O)OCCC(=O)CCOC 1458a_100000749529_200011997002 [0,2,0,0,0,0|0,1,1]=4 3292 B12R0.102 CNC(=O)OCCC(=O)CCSC 1458a_100000174002_200011997002 [0,2,0,0,0,0|0,1,1]=4 3293 B12R0.102 CNC(=O)OCCN(C)CCCO 269982a_100000213112_200011997002 [0,2,0,0,0,0|2,0,0]=4 3294 B12R0.102 CNC(=O)OCCN(C)CCOC 269982a_100000743101_200011997002 [0,2,0,0,0,0|2,0,0]=4 3295 B12R0.102 CNC(=O)OCCN(C)CCSC 269982a_100000686725_200011997002 [0,2,0,0,0,0|2,0,0]=4 3296 B12R0.233 C#CCCCC(=O)CCOC(=O)C 1458a_100000690238_100009814007 [0,2,0,0,0,0|0,1,1]=4 3297 B12R0.233 C=CCCCC(=O)CCOC(=O)C 1458a_100000766728_100009814007 [0,2,0,0,0,0|0,1,1]=4 3298 B12R0.233 CC(=O)OCCC(=O)CCCC#N 1458a_100000075515_100009814007 [0,2,0,0,0,0|0,1,1]=4 3299 B12R0.233 CC(=O)OCCC(=O)CCCCO 1458a_100000695505_100009814007 [0,2,0,0,0,0|0,1,1]=4 3300 B12R0.233 CC(=O)OCCC(=O)COCCO 1458a_100000708028_100009814007 [0,2,0,0,0,0|0,1,1]=4 3301 B12R0.233 CC(=O)OCCN(C)CCCCO 269982a_100000717598_100009814007 [0,2,0,0,0,0|2,0,0]=4 3302 B12R0.233 CC/C=C/CC(=O)CCOC(=O)C 1458a_100016274230_100009814007 [0,2,0,0,0,0|0,1,1]=4 3303 B12R0.233 CCC#CCC(C)OCOC(=O)C 34a_200000035118_100009813279 [0,2,0,0,0,0|2,0,0]=4 3304 B12R0.233 CCCC#CC(=O)CCOC(=O)C 1458a_200011218047_100009814007 [0,2,0,0,0,0|0,1,1]=4 3305 B12R0.233 CCCC=CC(=O)CCOC(=O)C 1458a_100000212230_100009814007 [0,2,0,0,0,0|0,1,1]=4 3306 B12R0.233 CCCCCC(=O)CCOC(=O)C 1458a_100000212188_100009814007 [0,2,0,0,0,0|0,1,1]=4 3307 B12R0.233 CCCCCC(C)OCOC(=O)C 34a_100011215632_100009813279 [0,2,0,0,0,0|2,0,0]=4 3308 B12R0.233 CCCCCC(C)SCOC(=O)C 62a_100000076356_200011218191 [0,2,0,0,0,0|2,0,0]=4 3309 B12R0.233 CCCCCC(C)SCOC(=O)C 62a_200011218191_100000076356 [0,2,0,0,0,0|2,0,0]=4 3310 B12R0.233 CCCCCN(C)CCOC(=O)C 269982a_100000223495_100009814007 [0,2,0,0,0,0|2,0,0]=4 3311 B12R0.233 CCCOCC(=O)CCOC(=O)C 1458a_100000745993_100009814007 [0,2,0,0,0,0|0,1,1]=4 3312 B12R0.233 CCCSCC(=O)CCOC(=O)C 1458a_100000217233_100009814007 [0,2,0,0,0,0|0,1,1]=4 3313 B12R0.233 CCOCCC(=O)CCOC(=O)C 1458a_100000749530_100009814007 [0,2,0,0,0,0|0,1,1]=4 3314 B12R0.233 CCSCCC(=O)CCOC(=O)C 1458a_100000230768_100009814007 [0,2,0,0,0,0|0,1,1]=4 3315 B12R0.233 COCCCC(=O)CCOC(=O)C 1458a_100000741012_100009814007 [0,2,0,0,0,0|0,1,1]=4 3316 B12R0.233 COCCCC(C)OCOC(=O)C 34a_200011539412_100009813279 [0,2,0,0,0,0|2,0,0]=4 3317 B12R0.233 COCCCN(C)CCOC(=O)C 269982a_100000224831_100009814007 [0,2,0,0,0,0|2,0,0]=4 3318 B12R0.233 CSCCCC(=O)CCOC(=O)C 1458a_100000173376_100009814007 [0,2,0,0,0,0|0,1,1]=4 3319 B12R0.285 CCCC(=O)OCNC(C)CCC 2230a_100000741246_100000034017 [0,2,0,0,0,0|2,0,0]=4 3320 B12R0.285 CCCC(=O)OCOC(C)CCC 34a_100000764384_100000034017 [0,2,0,0,0,0|2,0,0]=4 3321 B12R0.285 CCCC(=O)OCSC(C)CCC 62a_100000766640_100000034017 [0,2,0,0,0,0|2,0,0]=4 3322 B12R0.285 CCCC(C)SCOC(=O)OCC 62a_100000766640_100000075025 [0,2,0,0,0,0|2,0,0]=4 3323 B10R1.13 CC(=O)C1CCC(CC1)C 1458a_100000070787_200011216234 [1,0,0,1,0,0|2,0,0]=4 3324 B10R1.13 CC(=O)C1CCC(CC1)O 1458a_100000743365_200000210301 [1,0,0,1,0,0|1,1,0]=4 3325 B10R1.13 CC(=O)N1CCC(CC1)C 240690a_100000188429_100015343762 [1,0,0,1,0,0|2,0,0]=4 3326 B10R1.13 CC(=O)N1CCC(CC1)C 527a_100000188429_100103153847 [1,0,0,1,0,0|2,0,0]=4 3327 B10R1.13 CC(=O)N1CCC(CC1)F 11a_100015193889_100015343762 [1,0,0,1,0,0|2,0,0]=4 3328 B10R1.13 CC(=O)N1CCC(CC1)F 1626a_100015193889_100015343762 [1,0,0,1,0,0|2,0,0]=4 3329 B10R1.13 CC(=O)N1CCC(CC1)F 240690a_100015193889_100015343762 [1,0,0,1,0,0|2,0,0]=4 3330 B10R1.13 CC(=O)N1CCC(CC1)F 527a_100015193889_100103153847 [1,0,0,1,0,0|2,0,0]=4 3331 B10R1.13 CC(=O)N1CCC(CC1)O 240690a_100025773856_100015343762 [1,0,0,1,0,0|1,1,0]=4 3332 B10R1.13 CC(=O)N1CCC(CC1)O 527a_100025773856_100103153847 [1,0,0,1,0,0|1,1,0]=4 3333 B10R1.13 CC(=O)[C@H]1CC[C@@H](CC1)C 1458a_100009815934_200000210301 [1,0,0,1,0,0|2,0,0]=4 3334 B10R1.13 C[C@H]1CC[C@@H](CC1)C(=O)[13CH3] 1458a_100009815934_200025704644 [1,0,0,1,0,0|2,0,0]=4 3335 B10R1.13 [13CH3]C(=O)C1CCC(CC1)O 1458a_100000743365_200025704644 [1,0,0,1,0,0|1,1,0]=4 3336 B10R1.54 CC(=O)N[C@H]1CC[C@H](C1)O 1626a_100015195300_100015343762 [1,0,0,1,0,0|1,1,0]=4 3337 B10R1.54 CC(=O)N[C@H]1CC[C@H](C1)O 240690a_100015195300_100015343762 [1,0,0,1,0,0|1,1,0]=4 3338 B10R1.117 CC(=O)OCN1CCC1C 269982a_100000755817_100000076356 [1,0,0,1,0,0|2,0,0]=4 3339 B10R1.117 CC(=O)OCN1CCC1C 34a_100000755817_100009813279 [1,0,0,1,0,0|2,0,0]=4 3340 B10R1.127 CC(=O)OCCN1CCC1 269982a_100000754969_100009814007 [1,0,0,1,0,0|2,0,0]=4 3341 B10R1.127 CC(=O)OCNC1CCC1 34a_100000749019_100009813279 [1,0,0,1,0,0|2,0,0]=4 3342 B10R1.127 CC(=O)OCOC1CCC1 34a_100000748187_100009813279 [1,0,0,1,0,0|2,0,0]=4 3343 B10R1.127 CC(=O)OCSC1CCC1 62a_100000076356_100000749161 [1,0,0,1,0,0|2,0,0]=4 3344 B10R1.168 CCN1CC(C1)OC(=O)C 269982a_100016994906_100000204670 [1,0,0,1,0,0|2,0,0]=4 3345 B10R1.10 CCCN1CCNC(=O)C1 2230a_100000184651_100000210303 [1,0,0,1,0,0|2,0,0]=4 3346 B10R1.10 CCCN1CCOC(=O)C1 2230a_100000131268_100000210303 [1,0,0,1,0,0|1,0,0]=3 3347 B10R1.10 CCNC1CCNC(=O)C1 2230a_100016994916_100000210202 [1,0,0,1,0,0|2,0,0]=4 3348 B10R1.10 CCNC1CCNC(=O)C1 34a_100016994916_100000210202 [1,0,0,1,0,0|2,0,0]=4 3349 B10R1.10 CCOC1CCCC(=O)C1 34a_100012613340_100000210202 [1,0,0,1,0,0|2,0,0]=4 3350 B10R1.10 CCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210202 [1,0,0,1,0,0|2,0,0]=4 3351 B10R1.10 COCC1CCNC(=O)C1 34a_100009886756_200000210301 [1,0,0,1,0,0|2,0,0]=4 3352 B10R1.10 COCN1CCOC(=O)C1 2230a_100000131268_100000766300 [1,0,0,1,0,0|2,0,0]=4 3353 B10R1.10 CSCN1CCOC(=O)C1 2230a_100000131268_100011218213 [1,0,0,1,0,0|2,0,0]=4 3354 B10R1.10 O=C1CN(CCO1)CCF 2230a_100000131268_100011217306 [1,0,0,1,0,0|2,0,0]=4 3355 B10R1.10 O=C1CN(CCO1)CCO 2230a_100000131268_100000211926 [1,0,0,1,0,0|2,0,0]=4 3356 B10R1.10 [13CH3]OCC1CCNC(=O)C1 34a_100009886756_200025704644 [1,0,0,1,0,0|2,0,0]=4 3357 B10R1.16 CCCCN1CNC(=O)C1 2230a_200000708111_100000210211 [1,0,0,1,0,0|2,0,0]=4 3358 B10R1.16 CCCNC1CNC(=O)C1 2230a_100000697751_100000210303 [1,0,0,1,0,0|2,0,0]=4 3359 B10R1.16 CCCOC1CCC(=O)C1 34a_100012614533_100000210303 [1,0,0,1,0,0|2,0,0]=4 3360 B10R1.16 CCCOC1CNC(=O)C1 34a_100000690082_100000210303 [1,0,0,1,0,0|2,0,0]=4 3361 B10R1.16 CCCOC1COC(=O)O1 34a_100000210258_100000032252 [1,0,0,1,0,0|2,0,0]=4 3362 B10R1.16 CCCSC1COC(=O)O1 62a_100000210303_100000032252 [1,0,0,1,0,0|2,0,0]=4 3363 B10R1.16 CCNCC1CNC(=O)C1 2230a_100016993742_100000210202 [1,0,0,1,0,0|2,0,0]=4 3364 B10R1.16 CCNCC1CNC(=O)C1 34a_100016993742_100000210202 [1,0,0,1,0,0|2,0,0]=4 3365 B10R1.16 CCNC[C@H]1COC(=O)N1 2230a_100015525214_100015307671 [1,0,0,1,0,0|2,0,0]=4 3366 B10R1.16 CCOCC1CNC(=O)C1 34a_100016041077_100000210202 [1,0,0,1,0,0|2,0,0]=4 3367 B10R1.16 CCOCC1COC(=O)O1 34a_100121572206_100000073702 [1,0,0,1,0,0|2,0,0]=4 3368 B10R1.16 CCOC[C@H]1COC(=O)N1 34a_100121572206_100015307671 [1,0,0,1,0,0|2,0,0]=4 3369 B10R1.16 CCSCC1COC(=O)O1 62a_100000073702_100000210202 [1,0,0,1,0,0|2,0,0]=4 3370 B10R1.16 CCSCC1COC(=O)O1 62a_100000210202_100000073702 [1,0,0,1,0,0|2,0,0]=4 3371 B10R1.16 CCSC[C@H]1COC(=O)N1 62a_100000210202_100015307671 [1,0,0,1,0,0|2,0,0]=4 3372 B10R1.16 CCSC[C@H]1COC(=O)N1 62a_100015307671_100000210202 [1,0,0,1,0,0|2,0,0]=4 3373 B10R1.18 CC(=O)C=C1CCCCC1 1458a_100000743792_200000210301 [1,0,0,1,0,0|1,0,1]=4 3374 B10R1.18 CC(=O)CC1CCCCC1 1458a_100000070787_100000211423 [1,0,0,1,0,0|1,0,0]=3 3375 B10R1.18 CC(=O)CC1CCCCC1 1458a_100000211666_200000210301 [1,0,0,1,0,0|1,0,0]=3 3376 B10R1.18 CC(=O)CC1CCCCO1 1458a_100000070787_100000211543 [1,0,0,1,0,0|2,0,0]=4 3377 B10R1.18 CC(=O)CC1CCCCO1 1458a_100000238585_200000210301 [1,0,0,1,0,0|2,0,0]=4 3378 B10R1.18 CC(=O)CC1CCCOC1 1458a_100000070787_100000741521 [1,0,0,1,0,0|2,0,0]=4 3379 B10R1.18 CC(=O)CC1CCCOC1 1458a_100000741523_200000210301 [1,0,0,1,0,0|2,0,0]=4 3380 B10R1.18 CC(=O)CC1CCOCC1 1458a_100000070787_100000754603 [1,0,0,1,0,0|2,0,0]=4 3381 B10R1.18 CC(=O)CC1CCOCC1 1458a_100000757261_200000210301 [1,0,0,1,0,0|2,0,0]=4 3382 B10R1.18 CC(=O)CN1CCCCC1 1458a_100000740322_200000210301 [1,0,0,1,0,0|2,0,0]=4 3383 B10R1.18 CC(=O)NC1CCCCC1 11a_100000182618_100015343762 [1,0,0,1,0,0|1,0,0]=3 3384 B10R1.18 CC(=O)NC1CCCCC1 1626a_100000182618_100015343762 [1,0,0,1,0,0|1,0,0]=3 3385 B10R1.18 CC(=O)NC1CCCCC1 240690a_100000182618_100015343762 [1,0,0,1,0,0|1,0,0]=3 3386 B10R1.18 CC(=O)NC1CCCCC1 527a_100000182618_100103153847 [1,0,0,1,0,0|1,0,0]=3 3387 B10R1.18 CC(=O)NC1CCCOC1 11a_100000719290_100015343762 [1,0,0,1,0,0|2,0,0]=4 3388 B10R1.18 CC(=O)NC1CCCOC1 1626a_100000719290_100015343762 [1,0,0,1,0,0|2,0,0]=4 3389 B10R1.18 CC(=O)NC1CCCOC1 240690a_100000719290_100015343762 [1,0,0,1,0,0|2,0,0]=4 3390 B10R1.18 CC(=O)NC1CCCOC1 527a_100000719290_100103153847 [1,0,0,1,0,0|2,0,0]=4 3391 B10R1.18 CC(=O)NC1CCOCC1 11a_100000741149_100015343762 [1,0,0,1,0,0|2,0,0]=4 3392 B10R1.18 CC(=O)NC1CCOCC1 1626a_100000741149_100015343762 [1,0,0,1,0,0|2,0,0]=4 3393 B10R1.18 CC(=O)NC1CCOCC1 240690a_100000741149_100015343762 [1,0,0,1,0,0|2,0,0]=4 3394 B10R1.18 CC(=O)NC1CCOCC1 527a_100000741149_100103153847 [1,0,0,1,0,0|2,0,0]=4 3395 B10R1.18 CC(=O)NC1CCSCC1 11a_100000748639_100015343762 [1,0,0,1,0,0|2,0,0]=4 3396 B10R1.18 CC(=O)NC1CCSCC1 1626a_100000748639_100015343762 [1,0,0,1,0,0|2,0,0]=4 3397 B10R1.18 CC(=O)NC1CCSCC1 240690a_100000748639_100015343762 [1,0,0,1,0,0|2,0,0]=4 3398 B10R1.18 CC(=O)NC1CCSCC1 527a_100000748639_100103153847 [1,0,0,1,0,0|2,0,0]=4 3399 B10R1.18 CC(C)OC1CCCCC1 34a_100000210231_100000210206 [1,0,0,1,0,0|1,0,1]=4 3400 B10R1.18 CC(C)OC1CCCCC1 34a_100000212225_100000210327 [1,0,0,1,0,0|1,0,1]=4 3401 B10R1.18 CC(C)OC1CCCCC1 7a_100000210231_100000210206 [1,0,0,1,0,0|1,0,1]=4 3402 B10R1.18 [13CH3]C(=O)C=C1CCCCC1 1458a_100000743792_200025704644 [1,0,0,1,0,0|1,0,1]=4 3403 B10R1.18 [13CH3]C(=O)CC1CCCCC1 1458a_100000211666_200025704644 [1,0,0,1,0,0|1,0,0]=3 3404 B10R1.18 [13CH3]C(=O)CC1CCCCO1 1458a_100000238585_200025704644 [1,0,0,1,0,0|2,0,0]=4 3405 B10R1.18 [13CH3]C(=O)CC1CCCOC1 1458a_100000741523_200025704644 [1,0,0,1,0,0|2,0,0]=4 3406 B10R1.18 [13CH3]C(=O)CC1CCOCC1 1458a_100000757261_200025704644 [1,0,0,1,0,0|2,0,0]=4 3407 B10R1.18 [13CH3]C(=O)CN1CCCCC1 1458a_100000740322_200025704644 [1,0,0,1,0,0|2,0,0]=4 3408 B10R1.24 CCCCSC1CC(=O)C1 62a_100009894365_100000210210 [1,0,0,1,0,0|2,0,0]=4 3409 B10R1.24 CCCOCC1CC(=O)C1 34a_100000101936_100000210303 [1,0,0,1,0,0|2,0,0]=4 3410 B10R1.24 CCCSCC1CC(=O)C1 62a_100000210303_100009874392 [1,0,0,1,0,0|2,0,0]=4 3411 B10R1.24 CCCSCC1CC(=O)C1 62a_100009874392_100000210303 [1,0,0,1,0,0|2,0,0]=4 3412 B10R1.39 CC(=O)N1CCC[C@@H]1CO 240690a_100000745186_100015343762 [1,0,0,1,0,0|2,0,0]=4 3413 B10R1.39 CC(=O)N1CCC[C@@H]1CO 527a_100000745186_100103153847 [1,0,0,1,0,0|2,0,0]=4 3414 B10R1.39 CCC1CCCN1C(=O)C 11a_100000754278_100015343762 [1,0,0,1,0,0|1,0,0]=3 3415 B10R1.39 CCC1CCCN1C(=O)C 1626a_100000754278_100015343762 [1,0,0,1,0,0|1,0,0]=3 3416 B10R1.39 CCC1CCCN1C(=O)C 240690a_100000754278_100015343762 [1,0,0,1,0,0|1,0,0]=3 3417 B10R1.39 CCC1CCCN1C(=O)C 527a_100000754278_100103153847 [1,0,0,1,0,0|1,0,0]=3 3418 B10R1.39 CCN1CCCC1C(=O)C 1458a_106256033941_200000210301 [1,0,0,1,0,0|2,0,0]=4 3419 B10R1.39 CCN1CCCC1C(=O)[13CH3] 1458a_106256033941_200025704644 [1,0,0,1,0,0|2,0,0]=4 3420 B10R1.61 CC(=O)C1CCCCC1C 1458a_100011215568_200000210301 [1,0,0,1,0,0|1,0,0]=3 3421 B10R1.61 CC(=O)C1CCCCC1O 1458a_100011803323_200000210301 [1,0,0,1,0,0|2,0,0]=4 3422 B10R1.61 CC(=O)N1CCCCC1C 11a_100000211376_100015343762 [1,0,0,1,0,0|1,0,0]=3 3423 B10R1.61 CC(=O)N1CCCCC1C 1626a_100000211376_100015343762 [1,0,0,1,0,0|1,0,0]=3 3424 B10R1.61 CC(=O)N1CCCCC1C 240690a_100000211376_100015343762 [1,0,0,1,0,0|1,0,0]=3 3425 B10R1.61 CC(=O)N1CCCCC1C 527a_100000211376_100103153847 [1,0,0,1,0,0|1,0,0]=3 3426 B10R1.61 CC(=O)N1CCOC[C@@H]1C 11a_100009815349_100015343762 [1,0,0,1,0,0|2,0,0]=4 3427 B10R1.61 CC(=O)N1CCOC[C@@H]1C 240690a_100009815349_100015343762 [1,0,0,1,0,0|2,0,0]=4 3428 B10R1.61 CC(=O)N1CCOC[C@@H]1C 527a_100009815349_100103153847 [1,0,0,1,0,0|2,0,0]=4 3429 B10R1.61 CC(=O)[C@H]1CCCCN1C 1458a_100000767060_200000210301 [1,0,0,1,0,0|2,0,0]=4 3430 B10R1.61 CC1CCCCC1C(=O)[13CH3] 1458a_100011215568_200025704644 [1,0,0,1,0,0|1,0,0]=3 3431 B10R1.61 CN1CCCC[C@@H]1C(=O)[13CH3] 1458a_100000767060_200025704644 [1,0,0,1,0,0|2,0,0]=4 3432 B10R1.61 [13CH3]C(=O)C1CCCCC1O 1458a_100011803323_200025704644 [1,0,0,1,0,0|2,0,0]=4 3433 B10R1.64 CC(=O)N[C@H]1CCC[C@@H]1O 11a_100000748460_100015343762 [1,0,0,1,0,0|2,0,0]=4 3434 B10R1.64 CC(=O)N[C@H]1CCC[C@@H]1O 240690a_100000748460_100015343762 [1,0,0,1,0,0|2,0,0]=4 3435 B10R1.64 CC(C)OC1CCCC1C 34a_100011216460_100000210206 [1,0,0,1,0,0|1,0,1]=4 3436 B10R1.64 CC(C)OC1CCCC1C 7a_100011216460_100000210206 [1,0,0,1,0,0|1,0,1]=4 3437 B10R1.66 CC(=O)CCC1CCCC1 1458a_100000070787_100000760354 [1,0,0,1,0,0|1,0,0]=3 3438 B10R1.66 CC(=O)CCC1CCCC1 1458a_100000211120_200000210301 [1,0,0,1,0,0|1,0,0]=3 3439 B10R1.66 CC(=O)CCC1CCCO1 1458a_100011247709_200000210301 [1,0,0,1,0,0|2,0,0]=4 3440 B10R1.66 CC(=O)CCN1CCCC1 1458a_100000070787_100000004467 [1,0,0,1,0,0|2,0,0]=4 3441 B10R1.66 CC(=O)CCN1CCCC1 1458a_100000738983_200000210301 [1,0,0,1,0,0|2,0,0]=4 3442 B10R1.66 CC(=O)CCN1CCCC1 269982a_100000188435_100000053229 [1,0,0,1,0,0|2,0,0]=4 3443 B10R1.66 CC(=O)COC1CCCC1 1458a_100000741352_200000210301 [1,0,0,1,0,0|2,0,0]=4 3444 B10R1.66 CC(=O)COC1CCCC1 34a_100000211253_100000179811 [1,0,0,1,0,0|2,0,0]=4 3445 B10R1.66 CC(=O)NCC1CCCC1 11a_100000737975_100015343762 [1,0,0,1,0,0|1,0,0]=3 3446 B10R1.66 CC(=O)NCC1CCCC1 1626a_100000737975_100015343762 [1,0,0,1,0,0|1,0,0]=3 3447 B10R1.66 CC(=O)NCC1CCCC1 240690a_100000737975_100015343762 [1,0,0,1,0,0|1,0,0]=3 3448 B10R1.66 CC(=O)NCC1CCCC1 527a_100000737975_100103153847 [1,0,0,1,0,0|1,0,0]=3 3449 B10R1.66 CC(=O)NCC1CCOC1 11a_100000737293_100015343762 [1,0,0,1,0,0|2,0,0]=4 3450 B10R1.66 CC(=O)NCC1CCOC1 1626a_100000737293_100015343762 [1,0,0,1,0,0|2,0,0]=4 3451 B10R1.66 CC(=O)NCC1CCOC1 240690a_100000737293_100015343762 [1,0,0,1,0,0|2,0,0]=4 3452 B10R1.66 CC(=O)NCC1CCOC1 527a_100000737293_100103153847 [1,0,0,1,0,0|2,0,0]=4 3453 B10R1.66 CC(=O)NC[C@@H]1CCCO1 11a_100020590478_100015343762 [1,0,0,1,0,0|2,0,0]=4 3454 B10R1.66 CC(=O)NC[C@@H]1CCCO1 1626a_100020590478_100015343762 [1,0,0,1,0,0|2,0,0]=4 3455 B10R1.66 CC(=O)NC[C@@H]1CCCO1 240690a_100020590478_100015343762 [1,0,0,1,0,0|2,0,0]=4 3456 B10R1.66 CC(=O)NC[C@@H]1CCCO1 527a_100020590478_100103153847 [1,0,0,1,0,0|2,0,0]=4 3457 B10R1.66 CC(=O)NNC1CCCC1 22a_100000737850_100000070787 [1,0,0,1,0,0|2,0,0]=4 3458 B10R1.66 CC(=O)OCN1CCCC1 269982a_100000188435_100000076356 [1,0,0,1,0,0|1,0,0]=3 3459 B10R1.66 CC(=O)OCN1CCSC1 269982a_100011215254_100000076356 [1,0,0,1,0,0|2,0,0]=4 3460 B10R1.66 CC(C)OCC1CCCC1 34a_100000212225_100000740388 [1,0,0,1,0,0|1,0,1]=4 3461 B10R1.66 CC(C)OCC1CCCC1 34a_100000742336_100000210206 [1,0,0,1,0,0|1,0,1]=4 3462 B10R1.66 CC(C)OCC1CCCC1 7a_100000742336_100000210206 [1,0,0,1,0,0|1,0,1]=4 3463 B10R1.66 [13CH3]C(=O)CCC1CCCC1 1458a_100000211120_200025704644 [1,0,0,1,0,0|1,0,0]=3 3464 B10R1.66 [13CH3]C(=O)CCC1CCCO1 1458a_100011247709_200025704644 [1,0,0,1,0,0|2,0,0]=4 3465 B10R1.66 [13CH3]C(=O)CCN1CCCC1 1458a_100000738983_200025704644 [1,0,0,1,0,0|2,0,0]=4 3466 B10R1.66 [13CH3]C(=O)COC1CCCC1 1458a_100000741352_200025704644 [1,0,0,1,0,0|2,0,0]=4 3467 B10R1.86 COCC1CCN1C(=O)C 11a_100015195929_100015343762 [1,0,0,1,0,0|2,0,0]=4 3468 B10R1.86 COCC1CCN1C(=O)C 1626a_100015195929_100015343762 [1,0,0,1,0,0|2,0,0]=4 3469 B10R1.86 COCC1CCN1C(=O)C 240690a_100015195929_100015343762 [1,0,0,1,0,0|2,0,0]=4 3470 B10R1.86 COCC1CCN1C(=O)C 527a_100015195929_100103153847 [1,0,0,1,0,0|2,0,0]=4 3471 B10R1.126 CC(=O)CCCNC1CC1 34a_100000212008_100000685027 [1,0,0,1,0,0|2,0,0]=4 3472 B10R1.126 CC(=O)CCCOC1CC1 34a_100000759063_100000211595 [1,0,0,1,0,0|2,0,0]=4 3473 B10R1.126 CC(=O)CCCSC1CC1 62a_100011215641_100000211595 [1,0,0,1,0,0|2,0,0]=4 3474 B10R1.126 CC(=O)CCOCC1CC1 34a_100000759926_100000742324 [1,0,0,1,0,0|2,0,0]=4 3475 B10R1.126 CC(=O)CCOCC1CC1 7a_100000759926_100000742324 [1,0,0,1,0,0|2,0,0]=4 3476 B10R1.126 CC(=O)CCSCC1CC1 62a_100000053229_100000742324 [1,0,0,1,0,0|2,0,0]=4 3477 B10R1.126 CC(=O)CCSCC1CC1 62a_100000756562_100000053229 [1,0,0,1,0,0|2,0,0]=4 3478 B10R1.126 CC(=O)COCCC1CC1 34a_100000211253_100000694398 [1,0,0,1,0,0|2,0,0]=4 3479 B10R1.126 CC(=O)NCCOC1CC1 34a_100000158858_100000211595 [1,0,0,1,0,0|2,0,0]=4 3480 B10R1.126 CC(=O)NCCSC1CC1 62a_100000189650_100000211595 [1,0,0,1,0,0|2,0,0]=4 3481 B10R1.126 CC(=O)OCCNC1CC1 34a_100000212008_100009814007 [1,0,0,1,0,0|1,0,0]=3 3482 B10R1.126 CC(=O)OCCSC1CC1 62a_100009814007_100000211595 [1,0,0,1,0,0|1,0,0]=3 3483 B10R1.126 CC(=O)OCNCC1CC1 34a_100000735609_100009813279 [1,0,0,1,0,0|1,0,0]=3 3484 B10R1.126 CC(=O)OCOCC1CC1 34a_100000211283_100009813279 [1,0,0,1,0,0|1,0,0]=3 3485 B10R1.126 CC(=O)OCOC[C@@H]1CO1 34a_100000757423_100009813279 [1,0,0,1,0,0|2,0,0]=4 3486 B10R1.126 CC(=O)OCSCC1CC1 62a_100000076356_100000742324 [1,0,0,1,0,0|1,0,0]=3 3487 B10R1.126 CC(=O)OCSCC1CC1 62a_100000756562_100000076356 [1,0,0,1,0,0|1,0,0]=3 3488 B10R1.126 CC(=O)OCSCC1CO1 62a_100000076356_102125554688 [1,0,0,1,0,0|2,0,0]=4 3489 B10R1.126 CC(=O)OCSCC1CO1 62a_102125554688_100000076356 [1,0,0,1,0,0|2,0,0]=4 3490 B10R1.126 CC(=O)OCSCC1CS1 62a_100000031435_100000076356 [1,0,0,1,0,0|2,0,0]=4 3491 B10R1.126 CC(=O)OCSCC1CS1 62a_100000076356_100000031435 [1,0,0,1,0,0|2,0,0]=4 3492 B10R1.126 CC(=O)OCSC[C@@H]1CO1 62a_100000076356_100000745022 [1,0,0,1,0,0|2,0,0]=4 3493 B10R1.126 CC(=O)OCSC[C@@H]1CO1 62a_100000745022_100000076356 [1,0,0,1,0,0|2,0,0]=4 3494 B10R1.126 NC(=O)OCCNC1CC1 34a_100000212008_200011214921 [1,0,0,1,0,0|2,0,0]=4 3495 B10R1.126 NC(=O)OCCSC1CC1 62a_200011214921_100000211595 [1,0,0,1,0,0|2,0,0]=4 3496 B10R1.162 CCN1CCCNC(=O)C1 2230a_100015190381_100000210202 [1,0,0,1,0,0|2,0,0]=4 3497 B10R1.177 CCCCCCOC1CC1 34a_100000210259_100000211595 [1,0,0,1,0,0|1,0,1]=4 3498 B10R1.348 CC(=O)C1CCCCCC1 1458a_100000070787_100011217769 [1,0,0,1,0,0|1,0,0]=3 3499 B10R1.348 CC(=O)C1CCCCCC1 1458a_100000749507_200000210301 [1,0,0,1,0,0|1,0,0]=3 3500 B10R1.348 CC(=O)N1CCCCCC1 11a_100000185865_100015343762 [1,0,0,1,0,0|1,0,0]=3 3501 B10R1.348 CC(=O)N1CCCCCC1 1626a_100000185865_100015343762 [1,0,0,1,0,0|1,0,0]=3 3502 B10R1.348 CC(=O)N1CCCCCC1 240690a_100000185865_100015343762 [1,0,0,1,0,0|1,0,0]=3 3503 B10R1.348 CC(=O)N1CCCCCC1 527a_100000185865_100103153847 [1,0,0,1,0,0|1,0,0]=3 3504 B10R1.348 CC(=O)N1CCCOCC1 11a_100000685342_100015343762 [1,0,0,1,0,0|2,0,0]=4 3505 B10R1.348 CC(=O)N1CCCOCC1 1626a_100000685342_100015343762 [1,0,0,1,0,0|2,0,0]=4 3506 B10R1.348 CC(=O)N1CCCOCC1 240690a_100000685342_100015343762 [1,0,0,1,0,0|2,0,0]=4 3507 B10R1.348 CC(=O)N1CCCOCC1 527a_100000685342_100103153847 [1,0,0,1,0,0|2,0,0]=4 3508 B10R1.348 [13CH3]C(=O)C1CCCCCC1 1458a_100000749507_200025704644 [1,0,0,1,0,0|1,0,0]=3 3509 B10R1.21 CCOCCC1CCCC1 34a_100000749090_100000210202 [1,0,0,1,0,0|1,0,1]=4 3510 B10R1.21 CCOCCC1CCCC1 34a_100121572206_100000760354 [1,0,0,1,0,0|1,0,1]=4 3511 B10R1.21 CCOCCC1CCCC1 7a_100000749090_100000210202 [1,0,0,1,0,0|1,0,1]=4 3512 B10R1.1 CCOC1CCC(=O)CC1 34a_100000764474_100000210202 [0,0,0,1,1,0|2,0,0]=4 3513 B10R1.1 CCOC1CCC(=O)CC1 7a_100000764474_100000210202 [0,0,0,1,1,0|2,0,0]=4 3514 B10R1.1 COCC1CCC(=O)CC1 34a_100000062911_200000210301 [0,0,0,1,1,0|2,0,0]=4 3515 B10R1.1 [13CH3]OCC1CCC(=O)CC1 34a_100000062911_200025704644 [0,0,0,1,1,0|2,0,0]=4 3516 B10R1.59 CC(=O)[C@@H]1C[C@H](CN1C)O 1458a_100015191551_200000210301 [0,0,0,1,1,0|1,1,0]=4 3517 B10R1.59 CN1C[C@@H](C[C@H]1C(=O)[13CH3])O 1458a_100015191551_200025704644 [0,0,0,1,1,0|1,1,0]=4 3518 B10R1.82 CC(=O)CCN1CC(C1)C 269982a_100000702820_100000053229 [0,0,0,1,1,0|2,0,0]=4 3519 B10R1.82 CC(=O)OCN1CC(C1)C 269982a_100000702820_100000076356 [0,0,0,1,1,0|2,0,0]=4 3520 B10R1.82 CC(=O)OCN1CC(C1)C 34a_100000702820_100009813279 [0,0,0,1,1,0|2,0,0]=4 3521 B10R1.93 COCC1CC(C1)C(=O)C 1458a_100000138301_200000210301 [0,0,0,1,1,0|2,0,0]=4 3522 B10R1.93 COCC1CC(C1)C(=O)[13CH3] 1458a_100000138301_200025704644 [0,0,0,1,1,0|2,0,0]=4 3523 B10R1.113 CC(=O)C1CCCC(C1)C 1458a_100011215569_200000210301 [0,0,0,1,1,0|1,0,0]=3 3524 B10R1.113 CC(=O)C1CCCC(C1)O 1458a_100000707227_200000210301 [0,0,0,1,1,0|0,1,0]=3 3525 B10R1.113 CC(=O)C1CCCN(C1)C 1458a_100015257587_200000210301 [0,0,0,1,1,0|2,0,0]=4 3526 B10R1.113 CC(=O)N1CCCC(C1)F 11a_100000697950_100015343762 [0,0,0,1,1,0|2,0,0]=4 3527 B10R1.113 CC(=O)N1CCCC(C1)F 1626a_100000697950_100015343762 [0,0,0,1,1,0|2,0,0]=4 3528 B10R1.113 CC(=O)N1CCCC(C1)F 240690a_100000697950_100015343762 [0,0,0,1,1,0|2,0,0]=4 3529 B10R1.113 CC(=O)N1CCCC(C1)F 527a_100000697950_100103153847 [0,0,0,1,1,0|2,0,0]=4 3530 B10R1.113 CC(=O)N1CCCC(C1)O 240690a_100000211013_100015343762 [0,0,0,1,1,0|1,1,0]=4 3531 B10R1.113 CC(=O)N1CCCC(C1)O 527a_100000211013_100103153847 [0,0,0,1,1,0|1,1,0]=4 3532 B10R1.113 CC(=O)N1CCC[C@@H](C1)C 11a_100000717927_100015343762 [0,0,0,1,1,0|2,0,0]=4 3533 B10R1.113 CC(=O)N1CCC[C@@H](C1)C 240690a_100000717927_100015343762 [0,0,0,1,1,0|2,0,0]=4 3534 B10R1.113 CC(=O)N1CCC[C@@H](C1)C 527a_100000717927_100103153847 [0,0,0,1,1,0|2,0,0]=4 3535 B10R1.113 CC1CCCC(C1)C(=O)[13CH3] 1458a_100011215569_200025704644 [0,0,0,1,1,0|1,0,0]=3 3536 B10R1.113 CN1CCCC(C1)C(=O)[13CH3] 1458a_100015257587_200025704644 [0,0,0,1,1,0|2,0,0]=4 3537 B10R1.113 [13CH3]C(=O)C1CCCC(C1)O 1458a_100000707227_200025704644 [0,0,0,1,1,0|0,1,0]=3 3538 B10R1.140 CCCN(C)C1CC(=O)C1 269982a_100000747261_100009894365 [0,0,0,1,1,0|2,0,0]=4 3539 B10R1.211 CC(=O)CCN(C)C1CC1 269982a_100000226674_100000053229 [0,0,0,1,1,0|2,0,0]=4 3540 B10R1.211 CC(=O)COC(C)C1CC1 1458a_200000137917_200000210301 [0,0,0,1,1,0|2,0,0]=4 3541 B10R1.211 CC(=O)NCC(O)C1CC1 11a_100000751198_100015343762 [0,0,0,1,1,0|1,1,0]=4 3542 B10R1.211 CC(=O)NCC(O)C1CC1 240690a_100000751198_100015343762 [0,0,0,1,1,0|1,1,0]=4 3543 B10R1.211 CC(=O)NCC(O)C1CC1 527a_100000751198_100103153847 [0,0,0,1,1,0|1,1,0]=4 3544 B10R1.211 CC(=O)OCN(C)C1CC1 269982a_100000226674_100000076356 [0,0,0,1,1,0|2,0,0]=4 3545 B10R1.211 CC(OCC(=O)[13CH3])C1CC1 1458a_200000137917_200025704644 [0,0,0,1,1,0|2,0,0]=4 3546 B10R1.353 CC(=O)NCC1(CCC1)C 11a_100000706607_100015343762 [0,0,0,1,1,0|2,0,0]=4 3547 B10R1.353 CC(=O)NCC1(CCC1)C 1626a_100000706607_100015343762 [0,0,0,1,1,0|2,0,0]=4 3548 B10R1.353 CC(=O)NCC1(CCC1)C 240690a_100000706607_100015343762 [0,0,0,1,1,0|2,0,0]=4 3549 B10R1.353 CC(=O)NCC1(CCC1)C 527a_100000706607_100103153847 [0,0,0,1,1,0|2,0,0]=4 3550 B10R1.353 CC(=O)NCC1(CCC1)O 11a_100000752638_100015343762 [0,0,0,1,1,0|1,1,0]=4 3551 B10R1.353 CC(=O)NCC1(CCC1)O 1626a_100000752638_100015343762 [0,0,0,1,1,0|1,1,0]=4 3552 B10R1.353 CC(=O)NCC1(CCC1)O 240690a_100000752638_100015343762 [0,0,0,1,1,0|1,1,0]=4 3553 B10R1.353 CC(=O)NCC1(CCC1)O 527a_100000752638_100103153847 [0,0,0,1,1,0|1,1,0]=4 3554 B12R1.17 CC(CCO)N1CCOC(=O)C1 2230a_100000131268_100009893172 [0,0,0,1,0,1|2,0,0]=4 3555 B12R1.17 CCCC(=O)N1CCOC(=O)C1 11a_100000131268_100000211992 [0,0,0,1,0,1|0,1,1]=4 3556 B12R1.17 CCCC(=O)N1CCOC(=O)C1 240690a_100000131268_100000211992 [0,0,0,1,0,1|0,1,1]=4 3557 B12R1.17 CCCC(=O)N1CCOC(=O)C1 527a_100000131268_100000211992 [0,0,0,1,0,1|0,1,1]=4 3558 B12R1.17 CCCC(C)N1CCNC(=O)C1 2230a_100000184651_100000766640 [0,0,0,1,0,1|2,0,0]=4 3559 B12R1.17 CCCC(C)N1CCNC(=O)C1 270004a_100000184651_100000211909 [0,0,0,1,0,1|2,0,0]=4 3560 B12R1.17 CCCC(C)N1CCOC(=O)C1 2230a_100000131268_100000766640 [0,0,0,1,0,1|1,0,0]=3 3561 B12R1.17 CCCC(C)N1CCOC(=O)C1 270004a_100000131268_100000211909 [0,0,0,1,0,1|1,0,0]=3 3562 B12R1.17 COCC(C)N1CCOC(=O)C1 2230a_100000131268_100000765312 [0,0,0,1,0,1|2,0,0]=4 3563 B12R1.17 COCC(C)N1CCOC(=O)C1 270004a_100000131268_100000749346 [0,0,0,1,0,1|2,0,0]=4 3564 B12R1.17 CSCC(C)N1CCOC(=O)C1 270004a_100000131268_100011216314 [0,0,0,1,0,1|2,0,0]=4 3565 B12R1.31 CCCC(C)CN1CNC(=O)C1 2230a_200000708111_100011216630 [0,0,0,1,0,1|2,0,0]=4 3566 B12R1.31 CCCC(C)NC1CNC(=O)C1 2230a_100000697751_100000766640 [0,0,0,1,0,1|2,0,0]=4 3567 B12R1.31 CCCC(C)OC1CCC(=O)C1 34a_100012614533_100000766640 [0,0,0,1,0,1|2,0,0]=4 3568 B12R1.31 CCCC(C)OC1CNC(=O)C1 34a_100000690082_100000766640 [0,0,0,1,0,1|2,0,0]=4 3569 B12R1.31 CCCC(C)OC1COC(=O)O1 34a_100000764384_100000032252 [0,0,0,1,0,1|2,0,0]=4 3570 B12R1.31 CCCC(C)SC1COC(=O)O1 62a_100000766640_100000032252 [0,0,0,1,0,1|2,0,0]=4 3571 B12R1.130 CC(=O)CCCN1CCC[C@@H]1C 269982a_100020605311_100011215641 [0,0,0,1,0,1|2,0,0]=4 3572 B12R1.130 CC(=O)CCCN1CCC[C@H]1C 269982a_100015189458_100011215641 [0,0,0,1,0,1|2,0,0]=4 3573 B12R1.130 CC(=O)CCCN1CCC[C@H]1C 34a_100015189458_100000685027 [0,0,0,1,0,1|2,0,0]=4 3574 B12R1.130 CC(=O)CCOC1CCCC1C 7a_100011216460_100000053229 [0,0,0,1,0,1|2,0,0]=4 3575 B12R1.130 CC(=O)CCS[C@@H]1CCC[C@H]1O 62a_100000053229_200016002552 [0,0,0,1,0,1|1,1,0]=4 3576 B12R1.130 CC(=O)CCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000053229 [0,0,0,1,0,1|1,1,0]=4 3577 B12R1.130 CC(=O)NCCN1CCC[C@@H]1C 2230a_100020605311_100000189650 [0,0,0,1,0,1|2,0,0]=4 3578 B12R1.130 CC(=O)NCCN1CCC[C@@H]1C 269982a_100020605311_100000189650 [0,0,0,1,0,1|2,0,0]=4 3579 B12R1.130 CC(=O)NCCN1CCC[C@H]1C 2230a_100015189458_100000189650 [0,0,0,1,0,1|2,0,0]=4 3580 B12R1.130 CC(=O)NCCN1CCC[C@H]1C 269982a_100015189458_100000189650 [0,0,0,1,0,1|2,0,0]=4 3581 B12R1.130 CC(=O)OCCN1CCC[C@@H]1C 269982a_100020605311_100009814007 [0,0,0,1,0,1|1,0,0]=3 3582 B12R1.130 CC(=O)OCCN1CCC[C@H]1C 269982a_100015189458_100009814007 [0,0,0,1,0,1|1,0,0]=3 3583 B12R1.130 CC(=O)OCCN1CCC[C@H]1C 34a_100015189458_100009814007 [0,0,0,1,0,1|1,0,0]=3 3584 B12R1.130 CC(=O)OCCN1CCSC1C 269982a_200011216479_100009814007 [0,0,0,1,0,1|2,0,0]=4 3585 B12R1.130 CC(=O)OCCN1CCSC1C 34a_200011216479_100009814007 [0,0,0,1,0,1|2,0,0]=4 3586 B12R1.130 CC(=O)OCOC1CCCC1=O 34a_200000719330_100009813279 [0,0,0,1,0,1|0,1,1]=4 3587 B12R1.130 CC(=O)OCOC1CCCC1C 34a_100011216460_100009813279 [0,0,0,1,0,1|1,0,0]=3 3588 B12R1.130 CC(=O)OCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100009813279 [0,0,0,1,0,1|1,0,0]=3 3589 B12R1.130 CC(=O)OCO[C@H]1CCC[C@@H]1N 34a_100000748460_100009813279 [0,0,0,1,0,1|1,0,0]=3 3590 B12R1.130 CC(=O)OCO[C@H]1CNC[C@H]1C 34a_200015306588_100009813279 [0,0,0,1,0,1|2,0,0]=4 3591 B12R1.130 CC(=O)OCO[C@H]1COC[C@@H]1N 34a_100015191717_100009813279 [0,0,0,1,0,1|2,0,0]=4 3592 B12R1.130 CC(=O)OCSC1CCCC1=O 62a_100000076356_100000211823 [0,0,0,1,0,1|0,1,1]=4 3593 B12R1.130 CC(=O)OCSC1CCCC1=O 62a_100000211823_100000076356 [0,0,0,1,0,1|0,1,1]=4 3594 B12R1.130 CC(=O)OCSC1COCC1O 62a_100000076356_200000725654 [0,0,0,1,0,1|1,1,0]=4 3595 B12R1.130 CC(=O)OCSC1COCC1O 62a_200000725654_100000076356 [0,0,0,1,0,1|1,1,0]=4 3596 B12R1.130 CC(=O)OCS[C@@H]1CCC[C@H]1O 62a_100000076356_200016002552 [0,0,0,1,0,1|0,1,0]=3 3597 B12R1.130 CC(=O)OCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000076356 [0,0,0,1,0,1|0,1,0]=3 3598 B12R1.130 C[C@@H]1CCCN1CCOC(=O)N 269982a_100015189458_200011214921 [0,0,0,1,0,1|2,0,0]=4 3599 B12R1.130 C[C@@H]1CCCN1CCOC(=O)N 34a_100015189458_200011214921 [0,0,0,1,0,1|2,0,0]=4 3600 B12R1.130 C[C@H]1CCCN1CCOC(=O)N 269982a_100020605311_200011214921 [0,0,0,1,0,1|2,0,0]=4 3601 B12R1.175 CCOC1CN(C1)COC(=O)C 269982a_100000732654_100000076356 [0,0,0,1,0,1|2,0,0]=4 3602 B12R1.175 CCOC1CN(C1)COC(=O)C 34a_100000732654_100009813279 [0,0,0,1,0,1|2,0,0]=4 3603 B12R1.175 COCC1CN(C1)COC(=O)C 269982a_100016993750_100000076356 [0,0,0,1,0,1|2,0,0]=4 3604 B12R1.175 COCC1CN(C1)COC(=O)C 34a_100016993750_100009813279 [0,0,0,1,0,1|2,0,0]=4 3605 B12R1.220 CC(=O)OCCCN1CC(C1)C 269982a_100000702820_100000042594 [0,0,0,1,0,1|2,0,0]=4 3606 B12R1.220 CC(=O)OCCCN1CC(C1)C 34a_100000702820_100000042594 [0,0,0,1,0,1|2,0,0]=4 3607 B12R1.220 CC(=O)OCOCC1CC(C1)Cl 34a_100009874164_100009813279 [0,0,0,1,0,1|2,0,0]=4 3608 B12R1.226 C=C(C)COC1CCCC(C1)C 34a_100000211399_100000748629 [0,0,0,1,0,1|2,0,0]=4 3609 B12R1.226 CC(=O)CCN1CCCC(C1)C 1458a_100000070787_100000766211 [0,0,0,1,0,1|2,0,0]=4 3610 B12R1.226 CC(=O)CCN1CCCC(C1)C 1458a_200000177587_200000210301 [0,0,0,1,0,1|2,0,0]=4 3611 B12R1.226 CC(=O)CCN1CCCC(C1)F 269982a_100000697950_100000053229 [0,0,0,1,0,1|2,0,0]=4 3612 B12R1.226 CC(=O)CCN1CCCC(C1)O 269982a_100000211013_100000053229 [0,0,0,1,0,1|1,1,0]=4 3613 B12R1.226 CC(=O)CCN1CCC[C@@H](C1)C 269982a_100000717927_100000053229 [0,0,0,1,0,1|2,0,0]=4 3614 B12R1.226 CC(=O)NCC1CCCC(C1)O 1626a_100011254705_100015343762 [0,0,0,1,0,1|1,1,0]=4 3615 B12R1.226 CC(=O)NCC1CCCC(C1)O 240690a_100011254705_100015343762 [0,0,0,1,0,1|1,1,0]=4 3616 B12R1.226 CC(=O)NCC1CCCC(C1)O 527a_100011254705_100103153847 [0,0,0,1,0,1|1,1,0]=4 3617 B12R1.226 CC(=O)OCC1CCCN(C1)C 2230a_100025751563_200000210301 [0,0,0,1,0,1|2,0,0]=4 3618 B12R1.226 CC(=O)OCC1CCCN(C1)C 269982a_100025751563_200000210301 [0,0,0,1,0,1|2,0,0]=4 3619 B12R1.226 CC(=O)OCC1CCCN(C1)[13CH3] 2230a_100025751563_200025704644 [0,0,0,1,0,1|2,0,0]=4 3620 B12R1.226 CC(=O)OCC1CCCN(C1)[13CH3] 269982a_100025751563_200025704644 [0,0,0,1,0,1|2,0,0]=4 3621 B12R1.226 CC(=O)OCN1CCCC(C1)F 269982a_100000697950_100000076356 [0,0,0,1,0,1|1,0,0]=3 3622 B12R1.226 CC(=O)OCN1CCCC(C1)F 34a_100000697950_100009813279 [0,0,0,1,0,1|1,0,0]=3 3623 B12R1.226 CC(=O)OCN1CCCC(C1)O 269982a_100000211013_100000076356 [0,0,0,1,0,1|0,1,0]=3 3624 B12R1.226 CC(=O)OCN1CCC[C@@H](C1)C 269982a_100000717927_100000076356 [0,0,0,1,0,1|1,0,0]=3 3625 B12R1.226 CC(=O)OCN1CCC[C@@H](C1)C 34a_100000717927_100009813279 [0,0,0,1,0,1|1,0,0]=3 3626 B12R1.226 CC(=O)OCN1CCOC(C1)C 269982a_100000729577_100000076356 [0,0,0,1,0,1|2,0,0]=4 3627 B12R1.226 CC(=O)OCN1CCOC(C1)C 34a_100000729577_100009813279 [0,0,0,1,0,1|2,0,0]=4 3628 B12R1.226 CC(=O)OCN1CCOC(C1)O 269982a_100000688207_100000076356 [0,0,0,1,0,1|1,1,0]=4 3629 B12R1.226 CC1CCCC(C1)OCC(=O)N 34a_100000211399_100000187820 [0,0,0,1,0,1|2,0,0]=4 3630 B12R1.226 CC1CCCC(C1)OCC(=O)[O-] 34a_100000211399_100020667443 [0,0,0,1,0,1|2,0,0]=4 3631 B12R1.226 CC1CCCN(C1)CCC(=O)[13CH3] 1458a_200000177587_200025704644 [0,0,0,1,0,1|2,0,0]=4 3632 B12R1.255 C=C(C)COCCC1CCCC1 34a_100000210245_100000760354 [0,0,0,1,0,1|2,0,0]=4 3633 B12R1.255 C=C(C)COCCC1CCCC1 34a_100000749090_100000748629 [0,0,0,1,0,1|2,0,0]=4 3634 B12R1.255 C=C(C)COCCC1CCCC1 7a_100000749090_100000748629 [0,0,0,1,0,1|2,0,0]=4 3635 B12R1.255 CC(=O)CCCC[C@@H]1CCSS1 1458a_100009816572_200000210301 [0,0,0,1,0,1|2,0,0]=4 3636 B12R1.255 CC(=O)CCCNC1CCCC1 34a_100000211070_100000685027 [0,0,0,1,0,1|2,0,0]=4 3637 B12R1.255 CC(=O)CCCOC1CCCC1 34a_100000210269_100000685027 [0,0,0,1,0,1|2,0,0]=4 3638 B12R1.255 CC(=O)CCCOC1CCCC1 34a_100000759063_100000179811 [0,0,0,1,0,1|2,0,0]=4 3639 B12R1.255 CC(=O)CCCOC1CCCC1 7a_100000210269_100011215641 [0,0,0,1,0,1|2,0,0]=4 3640 B12R1.255 CC(=O)CCCOC1CCCC1 7a_100000759063_100000179811 [0,0,0,1,0,1|2,0,0]=4 3641 B12R1.255 CC(=O)CCCOC1CCCO1 34a_100000085407_100000685027 [0,0,0,1,0,1|1,1,0]=4 3642 B12R1.255 CC(=O)CCCSC1CCCC1 62a_100011215641_100000179811 [0,0,0,1,0,1|2,0,0]=4 3643 B12R1.255 CC(=O)CCCSC1CCCC1 62a_100011217020_100011215641 [0,0,0,1,0,1|2,0,0]=4 3644 B12R1.255 CC(=O)CCOCC1CCCC1 34a_100000759926_100000740388 [0,0,0,1,0,1|2,0,0]=4 3645 B12R1.255 CC(=O)CCOCC1CCCC1 7a_100000742336_100000053229 [0,0,0,1,0,1|2,0,0]=4 3646 B12R1.255 CC(=O)CCOCC1CCCC1 7a_100000759926_100000740388 [0,0,0,1,0,1|2,0,0]=4 3647 B12R1.255 CC(=O)CCOCC1CCCO1 7a_100000210270_100000053229 [0,0,0,1,0,1|1,1,0]=4 3648 B12R1.255 CC(=O)CCOCC1CCCO1 7a_100000759926_100000203698 [0,0,0,1,0,1|1,1,0]=4 3649 B12R1.255 CC(=O)CCSCC1CCCC1 62a_100000053229_100000740388 [0,0,0,1,0,1|2,0,0]=4 3650 B12R1.255 CC(=O)CCSCC1CCCC1 62a_100000740388_100000053229 [0,0,0,1,0,1|2,0,0]=4 3651 B12R1.255 CC(=O)CCSCC1CCCO1 62a_100000053229_100000203698 [0,0,0,1,0,1|1,1,0]=4 3652 B12R1.255 CC(=O)CCSCC1CCCO1 62a_100000203698_100000053229 [0,0,0,1,0,1|1,1,0]=4 3653 B12R1.255 CC(=O)COCCC1CCCC1 34a_100000211253_100000760354 [0,0,0,1,0,1|1,0,0]=3 3654 B12R1.255 CC(=O)COCCC1OCCO1 34a_100000211253_100000740749 [0,0,0,1,0,1|1,1,0]=4 3655 B12R1.255 CC(=O)NCCCC1CCCC1 11a_100000736752_100015343762 [0,0,0,1,0,1|2,0,0]=4 3656 B12R1.255 CC(=O)NCCCC1CCCC1 1626a_100000736752_100015343762 [0,0,0,1,0,1|2,0,0]=4 3657 B12R1.255 CC(=O)NCCCC1CCCC1 240690a_100000736752_100015343762 [0,0,0,1,0,1|2,0,0]=4 3658 B12R1.255 CC(=O)NCCCC1CCCC1 527a_100000736752_100103153847 [0,0,0,1,0,1|2,0,0]=4 3659 B12R1.255 CC(=O)NCCNC1CCCC1 2230a_100000209853_100000179811 [0,0,0,1,0,1|2,0,0]=4 3660 B12R1.255 CC(=O)NCCNC1CCCC1 2230a_100000211070_100000189650 [0,0,0,1,0,1|2,0,0]=4 3661 B12R1.255 CC(=O)NCCOC1CCCC1 11a_100000741755_100015343762 [0,0,0,1,0,1|2,0,0]=4 3662 B12R1.255 CC(=O)NCCOC1CCCC1 1626a_100000741755_100015343762 [0,0,0,1,0,1|2,0,0]=4 3663 B12R1.255 CC(=O)NCCOC1CCCC1 240690a_100000741755_100015343762 [0,0,0,1,0,1|2,0,0]=4 3664 B12R1.255 CC(=O)NCCOC1CCCC1 34a_100000158858_100000179811 [0,0,0,1,0,1|2,0,0]=4 3665 B12R1.255 CC(=O)NCCOC1CCCC1 527a_100000741755_100103153847 [0,0,0,1,0,1|2,0,0]=4 3666 B12R1.255 CC(=O)NCCOC1CCCC1 7a_100000210269_100000189650 [0,0,0,1,0,1|2,0,0]=4 3667 B12R1.255 CC(=O)NCCSC1CCCC1 62a_100000189650_100000179811 [0,0,0,1,0,1|2,0,0]=4 3668 B12R1.255 CC(=O)NCCSC1CCCC1 62a_100011217020_100000189650 [0,0,0,1,0,1|2,0,0]=4 3669 B12R1.255 CC(=O)OCCCN1CCCC1 269982a_100000188435_100000042594 [0,0,0,1,0,1|2,0,0]=4 3670 B12R1.255 CC(=O)OCCNC1CCCC1 34a_100000211070_100009814007 [0,0,0,1,0,1|1,0,0]=3 3671 B12R1.255 CC(=O)OCCN[C@H]1CCOC1 34a_100015188467_100009814007 [0,0,0,1,0,1|2,0,0]=4 3672 B12R1.255 CC(=O)OCCOC1CCCC1 34a_100000210269_100009814007 [0,0,0,1,0,1|1,0,0]=3 3673 B12R1.255 CC(=O)OCCOC1CCCC1 7a_100000210269_100009814007 [0,0,0,1,0,1|1,0,0]=3 3674 B12R1.255 CC(=O)OCCOC1CCCO1 34a_100000085407_100009814007 [0,0,0,1,0,1|0,1,0]=3 3675 B12R1.255 CC(=O)OCCOC1CCSC1 7a_100011232664_100009814007 [0,0,0,1,0,1|2,0,0]=4 3676 B12R1.255 CC(=O)OCCO[C@H]1CCOC1 34a_100000717292_100009814007 [0,0,0,1,0,1|2,0,0]=4 3677 B12R1.255 CC(=O)OCCSC1CCCC1 62a_100009814007_100000179811 [0,0,0,1,0,1|1,0,0]=3 3678 B12R1.255 CC(=O)OCCSC1CCCC1 62a_100011217020_100009814007 [0,0,0,1,0,1|1,0,0]=3 3679 B12R1.255 CC(=O)OCCSC1CCOC1 62a_100009814007_100000690089 [0,0,0,1,0,1|2,0,0]=4 3680 B12R1.255 CC(=O)OCNCC1CCCC1 34a_100000737975_100009813279 [0,0,0,1,0,1|1,0,0]=3 3681 B12R1.255 CC(=O)OCNCC1CCOC1 34a_100000737293_100009813279 [0,0,0,1,0,1|2,0,0]=4 3682 B12R1.255 CC(=O)OCNCC1OCCO1 34a_100000036311_100009813279 [0,0,0,1,0,1|1,1,0]=4 3683 B12R1.255 CC(=O)OCNC[C@@H]1CCCO1 34a_100020590478_100009813279 [0,0,0,1,0,1|0,1,0]=3 3684 B12R1.255 CC(=O)OCOCC1CCCC1 34a_100000742336_100009813279 [0,0,0,1,0,1|1,0,0]=3 3685 B12R1.255 CC(=O)OCOCC1CCCO1 34a_100000210270_100009813279 [0,0,0,1,0,1|0,1,0]=3 3686 B12R1.255 CC(=O)OCOCC1CCNC1 34a_100000748654_100009813279 [0,0,0,1,0,1|2,0,0]=4 3687 B12R1.255 CC(=O)OCOCC1CCOC1 34a_100000740260_100009813279 [0,0,0,1,0,1|2,0,0]=4 3688 B12R1.255 CC(=O)OCOCC1COCO1 34a_100011216627_100009813279 [0,0,0,1,0,1|1,1,0]=4 3689 B12R1.255 CC(=O)OCOCC1OCCO1 34a_100000087154_100009813279 [0,0,0,1,0,1|1,1,0]=4 3690 B12R1.255 CC(=O)OCOC[C@H]1CCCN1 34a_100000745186_100009813279 [0,0,0,1,0,1|1,0,0]=3 3691 B12R1.255 CC(=O)OCSCC1CCCC1 62a_100000076356_100000740388 [0,0,0,1,0,1|1,0,0]=3 3692 B12R1.255 CC(=O)OCSCC1CCCC1 62a_100000740388_100000076356 [0,0,0,1,0,1|1,0,0]=3 3693 B12R1.255 CC(=O)OCSCC1CCCO1 62a_100000076356_100000203698 [0,0,0,1,0,1|0,1,0]=3 3694 B12R1.255 CC(=O)OCSCC1CCCO1 62a_100000203698_100000076356 [0,0,0,1,0,1|0,1,0]=3 3695 B12R1.255 CC(=O)OCSCC1CCOC1 62a_100000076356_100000702531 [0,0,0,1,0,1|2,0,0]=4 3696 B12R1.255 CC(=O)OCSCC1CCOC1 62a_100000702531_100000076356 [0,0,0,1,0,1|2,0,0]=4 3697 B12R1.255 CC(=O)OCSCC1OCCO1 62a_100000076356_100000755774 [0,0,0,1,0,1|1,1,0]=4 3698 B12R1.255 CC(=O)OCSCC1OCCO1 62a_100000755774_100000076356 [0,0,0,1,0,1|1,1,0]=4 3699 B12R1.255 NC(=O)COCCC1CCCC1 34a_100000749090_100000187820 [0,0,0,1,0,1|2,0,0]=4 3700 B12R1.255 NC(=O)COCCC1CCCC1 7a_100000749090_100000187820 [0,0,0,1,0,1|2,0,0]=4 3701 B12R1.255 NC(=O)OCCNC1CCCC1 34a_100000211070_200011214921 [0,0,0,1,0,1|2,0,0]=4 3702 B12R1.255 NC(=O)OCCOC1CCCC1 34a_100000210269_200011214921 [0,0,0,1,0,1|2,0,0]=4 3703 B12R1.255 NC(=O)OCCOC1CCCC1 7a_100000210269_200011214921 [0,0,0,1,0,1|2,0,0]=4 3704 B12R1.255 NC(=O)OCCOC1CCCC1 7a_100000766696_100000179811 [0,0,0,1,0,1|2,0,0]=4 3705 B12R1.255 NC(=O)OCCOC1CCCO1 34a_100000085407_200011214921 [0,0,0,1,0,1|1,1,0]=4 3706 B12R1.255 NC(=O)OCCSC1CCCC1 62a_100011217020_200011214921 [0,0,0,1,0,1|2,0,0]=4 3707 B12R1.255 NC(=O)OCCSC1CCCC1 62a_200011214921_100000179811 [0,0,0,1,0,1|2,0,0]=4 3708 B12R1.255 O=C([O-])COCCC1CCCC1 34a_100000749090_100020667443 [0,0,0,1,0,1|2,0,0]=4 3709 B12R1.255 [13CH3]C(=O)CCCC[C@@H]1CCSS1 1458a_100009816572_200025704644 [0,0,0,1,0,1|2,0,0]=4 3710 B12R1.467 CCCC(C)CSC1CC(=O)C1 62a_100009894365_100011216630 [0,0,0,1,0,1|2,0,0]=4 3711 B12R1.467 CCCC(C)NCC1CC(=O)C1 2230a_100000741246_100009874392 [0,0,0,1,0,1|2,0,0]=4 3712 B12R1.467 CCCC(C)OCC1CC(=O)C1 34a_100000101936_100000766640 [0,0,0,1,0,1|2,0,0]=4 3713 B12R1.467 CCCC(C)OCC1CC(=O)C1 7a_100000764384_100009874392 [0,0,0,1,0,1|2,0,0]=4 3714 B12R1.467 CCCC(C)SCC1CC(=O)C1 62a_100000766640_100009874392 [0,0,0,1,0,1|2,0,0]=4 3715 B12R1.467 CCCC(C)SCC1CC(=O)C1 62a_100009874392_100000766640 [0,0,0,1,0,1|2,0,0]=4 3716 B12R1.1356 CC(=O)CCCNC(C)C1CC1 34a_100000700016_100000685027 [0,0,0,1,0,1|2,0,0]=4 3717 B12R1.1356 CC(=O)CCCOC(C)C1CC1 34a_100000744524_100000685027 [0,0,0,1,0,1|2,0,0]=4 3718 B12R1.1356 CC(=O)CCCOC(C)C1CC1 7a_100000744524_100011215641 [0,0,0,1,0,1|2,0,0]=4 3719 B12R1.1356 CC(=O)NCCNC(C)C1CC1 2230a_100000700016_100000189650 [0,0,0,1,0,1|2,0,0]=4 3720 B12R1.1356 CC(=O)NCCNC(C)C1CC1 269862a_100000209853_100000210639 [0,0,0,1,0,1|2,0,0]=4 3721 B12R1.1356 CC(=O)NCCOC(C)C1CC1 7a_100000744524_100000189650 [0,0,0,1,0,1|2,0,0]=4 3722 B12R1.1356 CC(=O)OCCCC(=O)C1CC1 1458a_100000210395_100000042594 [0,0,0,1,0,1|0,1,1]=4 3723 B12R1.1356 CC(=O)OCCCN(C)C1CC1 269982a_100000226674_100000042594 [0,0,0,1,0,1|2,0,0]=4 3724 B12R1.1356 CC(=O)OCCNC(=O)C1CC1 11a_100000724843_100000210395 [0,0,0,1,0,1|0,1,1]=4 3725 B12R1.1356 CC(=O)OCCNC(=O)C1CC1 240690a_100000724843_100000210395 [0,0,0,1,0,1|0,1,1]=4 3726 B12R1.1356 CC(=O)OCCNC(=O)C1CC1 527a_100000724843_100000210395 [0,0,0,1,0,1|0,1,1]=4 3727 B12R1.1356 CC(=O)OCCNC(C)C1CC1 34a_100000700016_100009814007 [0,0,0,1,0,1|1,0,0]=3 3728 B12R1.1356 CC(=O)OCCOC(C)C1CC1 34a_100000744524_100009814007 [0,0,0,1,0,1|1,0,0]=3 3729 B12R1.1356 CC(=O)OCCOC(C)C1CC1 7a_100000744524_100009814007 [0,0,0,1,0,1|1,0,0]=3 3730 B12R1.1356 CC(=O)OCNCC(O)C1CC1 34a_100000751198_100009813279 [0,0,0,1,0,1|0,1,0]=3 3731 B12R1.1356 CC(=O)OCOCC(=O)C1CC1 34a_100000686663_100009813279 [0,0,0,1,0,1|0,1,1]=4 3732 B12R1.1356 CC(=O)OCOC[C@H](N)C1CC1 34a_100020623730_100009813279 [0,0,0,1,0,1|1,0,0]=3 3733 B12R1.1356 CC(=O)OCSCC(=O)C1CC1 62a_100000076356_100000746382 [0,0,0,1,0,1|0,1,1]=4 3734 B12R1.1356 CC(=O)OCSCC(=O)C1CC1 62a_100000746382_100000076356 [0,0,0,1,0,1|0,1,1]=4 3735 B12R1.1356 CC(=O)SCCNC(C)C1CC1 269862a_100020647217_100000210639 [0,0,0,1,0,1|1,1,0]=4 3736 B12R1.1356 CC(NCCOC(=O)N)C1CC1 34a_100000700016_200011214921 [0,0,0,1,0,1|2,0,0]=4 3737 B12R1.1356 CC(OCCOC(=O)N)C1CC1 34a_100000744524_200011214921 [0,0,0,1,0,1|2,0,0]=4 3738 B12R1.1356 CC(OCCOC(=O)N)C1CC1 7a_100000744524_200011214921 [0,0,0,1,0,1|2,0,0]=4 3739 B12R1.2795 CC(=O)CCCNC1(CCC1)C 34a_100000692455_100000685027 [0,0,0,1,0,1|2,0,0]=4 3740 B12R1.2795 CC(=O)CCCOC1(CCC1)C 34a_100000759064_100000685027 [0,0,0,1,0,1|2,0,0]=4 3741 B12R1.2795 CC(=O)CCCOC1(CCC1)C 7a_100000759064_100011215641 [0,0,0,1,0,1|2,0,0]=4 3742 B12R1.2795 CC(=O)CCOCC1(CCC1)C 34a_100000759926_100000726658 [0,0,0,1,0,1|2,0,0]=4 3743 B12R1.2795 CC(=O)CCOCC1(CCC1)C 7a_100000759926_100000726658 [0,0,0,1,0,1|2,0,0]=4 3744 B12R1.2795 CC(=O)CCSCC1(CCC1)C 62a_100000053229_100000726658 [0,0,0,1,0,1|2,0,0]=4 3745 B12R1.2795 CC(=O)CCSCC1(CCC1)C 62a_100000726658_100000053229 [0,0,0,1,0,1|2,0,0]=4 3746 B12R1.2795 CC(=O)NCCNC1(CCC1)C 2230a_100000692455_100000189650 [0,0,0,1,0,1|2,0,0]=4 3747 B12R1.2795 CC(=O)NCCOC1(CCC1)C 7a_100000759064_100000189650 [0,0,0,1,0,1|2,0,0]=4 3748 B12R1.2795 CC(=O)OCCNC1(CCC1)C 34a_100000692455_100009814007 [0,0,0,1,0,1|1,0,0]=3 3749 B12R1.2795 CC(=O)OCCOC1(CCC1)C 34a_100000759064_100009814007 [0,0,0,1,0,1|1,0,0]=3 3750 B12R1.2795 CC(=O)OCCOC1(CCC1)C 7a_100000759064_100009814007 [0,0,0,1,0,1|1,0,0]=3 3751 B12R1.2795 CC(=O)OCCOC1(CSC1)C 7a_100016018533_100009814007 [0,0,0,1,0,1|2,0,0]=4 3752 B12R1.2795 CC(=O)OCOCC1(CSC1)C 34a_100000732658_100009813279 [0,0,0,1,0,1|2,0,0]=4 3753 B12R1.2795 CC(=O)OCSCC1(CCC1)C 62a_100000076356_100000726658 [0,0,0,1,0,1|1,0,0]=3 3754 B12R1.2795 CC(=O)OCSCC1(CCC1)C 62a_100000726658_100000076356 [0,0,0,1,0,1|1,0,0]=3 3755 B12R1.2795 CC(=O)OCSCC1(COC1)C 62a_100000076356_100009817586 [0,0,0,1,0,1|2,0,0]=4 3756 B12R1.2795 CC(=O)OCSCC1(COC1)C 62a_100009817586_100000076356 [0,0,0,1,0,1|2,0,0]=4 3757 B12R1.2795 CC1(CCC1)NCCOC(=O)N 34a_100000692455_200011214921 [0,0,0,1,0,1|2,0,0]=4 3758 B12R1.2795 CC1(CCC1)OCCOC(=O)N 34a_100000759064_200011214921 [0,0,0,1,0,1|2,0,0]=4 3759 B12R1.2795 CC1(CCC1)OCCOC(=O)N 7a_100000759064_200011214921 [0,0,0,1,0,1|2,0,0]=4 3760 B12R1.144 CC(=O)OC(C)N1CCC[C@@H]1C 269982a_100020605311_100009818208 [0,1,0,1,0,0|2,0,0]=4 3761 B12R1.144 CC(=O)OC(C)N1CCC[C@H]1C 269982a_100015189458_100009818208 [0,1,0,1,0,0|2,0,0]=4 3762 B12R1.260 CC(=O)OC(C)SC1CCCC1 62a_100009818208_100000179811 [0,1,0,1,0,0|2,0,0]=4 3763 B12R1.260 CC(=O)OC(C)SC1CCCC1 62a_100011217020_100009818208 [0,1,0,1,0,0|2,0,0]=4 3764 B12R1.105 CC(=O)OCCN1CCC(C1)O 269982a_100011215560_100009814007 [0,1,0,1,0,0|2,0,0]=4 3765 B12R1.105 CC(=O)OCCN1CC[C@@H](C1)F 269982a_100015203821_100009814007 [0,1,0,1,0,0|2,0,0]=4 3766 B12R1.105 CC(=O)OCCN1CC[C@@H](C1)F 34a_100015203821_100009814007 [0,1,0,1,0,0|2,0,0]=4 3767 B12R1.105 CC(=O)OCCN1CC[C@H](C1)C 269982a_100016987628_100009814007 [0,1,0,1,0,0|2,0,0]=4 3768 B12R1.105 CC(=O)OCCN1CC[C@H](C1)C 34a_100016987628_100009814007 [0,1,0,1,0,0|2,0,0]=4 3769 B12R1.105 CC(=O)OCOC1CCC(C1)C 34a_100000698185_100009813279 [0,1,0,1,0,0|2,0,0]=4 3770 B12R1.105 CC(=O)OCSC1CCN(C1)C 62a_100000076356_200012183744 [0,1,0,1,0,0|2,0,0]=4 3771 B12R1.1238 CC(=O)OCCC(=O)C1CC1C 1458a_100000211227_100009814007 [0,1,0,1,0,0|0,1,1]=4 3772 B12R1.1238 CC(=O)OCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100009814007 [0,1,0,1,0,0|0,1,1]=4 3773 B12R1.1280 CC(=O)N1CCC(CC1(C)C)O 1626a_100102422732_100015343762 [0,1,0,1,0,0|1,1,0]=4 3774 B12R1.1280 CC(=O)N1CCC(CC1(C)C)O 240690a_100102422732_100015343762 [0,1,0,1,0,0|1,1,0]=4 3775 B12R1.1359 CC(=O)OCCC(=O)CC1CC1 1458a_100000738066_100009814007 [0,1,0,1,0,0|0,1,1]=4 3776 B12R1.1359 CC(=O)OCCN(C)CC1CC1 269982a_100000741881_100009814007 [0,1,0,1,0,0|2,0,0]=4 3777 B12R1.1394 CC(=O)OC1CN(C1)CC(C)C 269982a_100016994906_100000210624 [0,1,0,1,0,0|2,0,0]=4 3778 B12R1.1394 CC(=O)OC1CN(C1)CC(C)C 270004a_100016994906_100000210432 [0,1,0,1,0,0|2,0,0]=4 3779 B12R1.1394 CC(=O)OC1CN(C1)CC(C)O 269982a_100016994906_100011218427 [0,1,0,1,0,0|2,0,0]=4 3780 B12R1.1394 CC(=O)OC1CN(C1)C[C@@H](C)O 269982a_100016994906_100009817552 [0,1,0,1,0,0|2,0,0]=4 3781 B12R1.1810 CC(=O)OCCN1CC(C1)(C)C 269982a_100000753659_100009814007 [0,1,0,1,0,0|2,0,0]=4 3782 B12R1.1810 CC(=O)OCCN1CC(C1)(C)F 269982a_100000696199_100009814007 [0,1,0,1,0,0|2,0,0]=4 3783 B12R1.1810 CC(=O)OCCN1CC(C1)(C)O 269982a_100000718560_100009814007 [0,1,0,1,0,0|2,0,0]=4 3784 B12R1.81 CC(=O)OCN1CCC[C@@H]1C#N 269982a_106645074975_100000076356 [0,1,0,1,0,0|2,0,0]=4 3785 B12R1.81 CC(=O)OCN1CCC[C@@H]1CO 269982a_100000745186_100000076356 [0,1,0,1,0,0|1,1,0]=4 3786 B12R1.81 CC(=O)OCN1CCC[C@@H]1CO 34a_100000745186_100009813279 [0,1,0,1,0,0|1,1,0]=4 3787 B12R1.81 CCC1CCCN1COC(=O)C 269982a_100000754278_100000076356 [0,1,0,1,0,0|2,0,0]=4 3788 B12R1.81 CCC1CCCN1COC(=O)C 34a_100000754278_100009813279 [0,1,0,1,0,0|2,0,0]=4 3789 B12R1.113 CCCC1CCN(CC1)C(=O)C 1626a_100015355601_100015343762 [0,1,0,1,0,0|2,0,0]=4 3790 B12R1.113 CCCC1CCN(CC1)C(=O)C 240690a_100015355601_100015343762 [0,1,0,1,0,0|2,0,0]=4 3791 B12R1.113 CCCC1CCN(CC1)C(=O)C 527a_100015355601_100103153847 [0,1,0,1,0,0|2,0,0]=4 3792 B12R1.113 CCC[C@H]1CC[C@@H](CC1)C(=O)C 1458a_100009815004_200000210301 [0,1,0,1,0,0|2,0,0]=4 3793 B12R1.113 CCC[C@H]1CC[C@@H](CC1)C(=O)[13CH3] 1458a_100009815004_200025704644 [0,1,0,1,0,0|2,0,0]=4 3794 B12R1.138 CCCC(CCOC1CC1)SC 34a_100000032865_100000211595 [0,1,0,1,0,0|1,0,1]=4 3795 B12R1.252 CC(=O)CCCC1CCCCC1 1458a_100000070787_100011713725 [0,1,0,1,0,0|2,0,0]=4 3796 B12R1.252 CC(=O)CCCC1CCCCC1 1458a_100000211478_200000210301 [0,1,0,1,0,0|2,0,0]=4 3797 B12R1.252 CC(=O)CCOC1CCCSC1 7a_100015962668_100000053229 [0,1,0,1,0,0|2,0,0]=4 3798 B12R1.252 CC(=O)NCCC1CCCCC1 11a_100000738074_100015343762 [0,1,0,1,0,0|2,0,0]=4 3799 B12R1.252 CC(=O)NCCC1CCCCC1 1626a_100000738074_100015343762 [0,1,0,1,0,0|2,0,0]=4 3800 B12R1.252 CC(=O)NCCC1CCCCC1 240690a_100000738074_100015343762 [0,1,0,1,0,0|2,0,0]=4 3801 B12R1.252 CC(=O)NCCC1CCCCC1 527a_100000738074_100103153847 [0,1,0,1,0,0|2,0,0]=4 3802 B12R1.252 CC(=O)NCCC1CCCCO1 11a_100015183643_100015343762 [0,1,0,1,0,0|1,1,0]=4 3803 B12R1.252 CC(=O)NCCC1CCCCO1 1626a_100015183643_100015343762 [0,1,0,1,0,0|1,1,0]=4 3804 B12R1.252 CC(=O)NCCC1CCCCO1 240690a_100015183643_100015343762 [0,1,0,1,0,0|1,1,0]=4 3805 B12R1.252 CC(=O)NCCC1CCCCO1 527a_100015183643_100103153847 [0,1,0,1,0,0|1,1,0]=4 3806 B12R1.252 CC(=O)NCCC1CCOCC1 11a_100000755988_100015343762 [0,1,0,1,0,0|2,0,0]=4 3807 B12R1.252 CC(=O)NCCC1CCOCC1 1626a_100000755988_100015343762 [0,1,0,1,0,0|2,0,0]=4 3808 B12R1.252 CC(=O)NCCC1CCOCC1 240690a_100000755988_100015343762 [0,1,0,1,0,0|2,0,0]=4 3809 B12R1.252 CC(=O)NCCC1CCOCC1 527a_100000755988_100103153847 [0,1,0,1,0,0|2,0,0]=4 3810 B12R1.252 CC(=O)OCCN1CCCOC1 269982a_100000131196_100009814007 [0,1,0,1,0,0|1,1,0]=4 3811 B12R1.252 CC(=O)OCCN1CCCOC1 34a_100000131196_100009814007 [0,1,0,1,0,0|1,1,0]=4 3812 B12R1.252 CC(=O)OCCN1CCOCC1 269982a_100015191051_100009814007 [0,1,0,1,0,0|2,0,0]=4 3813 B12R1.252 CC(=O)OCCN1CCOCC1 34a_100015191051_100009814007 [0,1,0,1,0,0|2,0,0]=4 3814 B12R1.252 CC(=O)OCCN1CCSCC1 269982a_100000737611_100009814007 [0,1,0,1,0,0|2,0,0]=4 3815 B12R1.252 CC(=O)OCNC1CCCCC1 34a_100000182618_100009813279 [0,1,0,1,0,0|2,0,0]=4 3816 B12R1.252 CC(=O)OCNC1CCCOC1 34a_100000719290_100009813279 [0,1,0,1,0,0|1,1,0]=4 3817 B12R1.252 CC(=O)OCNC1CCOCC1 34a_100000741149_100009813279 [0,1,0,1,0,0|2,0,0]=4 3818 B12R1.252 CC(=O)OCNC1CCSCC1 34a_100000748639_100009813279 [0,1,0,1,0,0|2,0,0]=4 3819 B12R1.252 CC(=O)OCOC1C=CCCC1 34a_100011215024_100009813279 [0,1,0,1,0,0|2,0,0]=4 3820 B12R1.252 CC(=O)OCOC1CCCCC1 34a_100000210231_100009813279 [0,1,0,1,0,0|2,0,0]=4 3821 B12R1.252 CC(=O)OCOC1CCCCO1 34a_100000033831_100009813279 [0,1,0,1,0,0|1,1,0]=4 3822 B12R1.252 CC(=O)OCOC1CCCOC1 34a_100000754041_100009813279 [0,1,0,1,0,0|1,1,0]=4 3823 B12R1.252 CC(=O)OCOC1CCOCC1 34a_100000744328_100009813279 [0,1,0,1,0,0|2,0,0]=4 3824 B12R1.252 CC(=O)OCOC1CCSCC1 34a_100000731022_100009813279 [0,1,0,1,0,0|2,0,0]=4 3825 B12R1.252 CC(=O)OCSC1C=CCCC1 62a_100000076356_100000751183 [0,1,0,1,0,0|2,0,0]=4 3826 B12R1.252 CC(=O)OCSC1C=CCCC1 62a_100000751183_100000076356 [0,1,0,1,0,0|2,0,0]=4 3827 B12R1.252 CC(=O)OCSC1CCCCC1 62a_100000076356_100000210327 [0,1,0,1,0,0|2,0,0]=4 3828 B12R1.252 CC(=O)OCSC1CCCCC1 62a_100000210327_100000076356 [0,1,0,1,0,0|2,0,0]=4 3829 B12R1.252 CC(=O)OCSC1CCCOC1 62a_100000076356_100000693364 [0,1,0,1,0,0|1,1,0]=4 3830 B12R1.252 CC(=O)OCSC1CCOCC1 62a_100000076356_100011324220 [0,1,0,1,0,0|2,0,0]=4 3831 B12R1.252 CC(=O)OCSC1CCSCC1 62a_100000076356_100000069128 [0,1,0,1,0,0|2,0,0]=4 3832 B12R1.252 CC(C)OCCC1SCCCS1 34a_200011025297_100000210206 [0,1,0,1,0,0|1,0,1]=4 3833 B12R1.252 CC(C)OCCC1SCCCS1 7a_200011025297_100000210206 [0,1,0,1,0,0|1,0,1]=4 3834 B12R1.252 [13CH3]C(=O)CCCC1CCCCC1 1458a_100000211478_200025704644 [0,1,0,1,0,0|2,0,0]=4 3835 B12R1.1891 CCC1CCCN(CC1)C(=O)C 11a_100000757272_100015343762 [0,1,0,1,0,0|2,0,0]=4 3836 B12R1.1891 CCC1CCCN(CC1)C(=O)C 1626a_100000757272_100015343762 [0,1,0,1,0,0|2,0,0]=4 3837 B12R1.1891 CCC1CCCN(CC1)C(=O)C 240690a_100000757272_100015343762 [0,1,0,1,0,0|2,0,0]=4 3838 B12R1.1891 CCC1CCCN(CC1)C(=O)C 527a_100000757272_100103153847 [0,1,0,1,0,0|2,0,0]=4 3839 B12R1.1891 COC1CCCN(CC1)C(=O)C 11a_100016993962_100015343762 [0,1,0,1,0,0|1,1,0]=4 3840 B12R1.1891 COC1CCCN(CC1)C(=O)C 1626a_100016993962_100015343762 [0,1,0,1,0,0|1,1,0]=4 3841 B12R1.1891 COC1CCCN(CC1)C(=O)C 240690a_100016993962_100015343762 [0,1,0,1,0,0|1,1,0]=4 3842 B12R1.1891 COC1CCCN(CC1)C(=O)C 527a_100016993962_100103153847 [0,1,0,1,0,0|1,1,0]=4 3843 B12R1.2372 CC(=O)OCNC1(CCC1)C#N 34a_100000739455_100009813279 [0,1,0,1,0,0|2,0,0]=4 3844 B12R1.3756 CC(=O)OCN[C@@H](CO)C1CC1 34a_100020623730_100009813279 [0,1,0,1,0,0|1,1,0]=4 3845 B12R1.3756 CC(=O)OCOC(CN)C1CC1 34a_100000751198_100009813279 [0,1,0,1,0,0|2,0,0]=4 3846 B12R1.3756 CCC(NCOC(=O)C)C1CC1 34a_100025715781_100009813279 [0,1,0,1,0,0|2,0,0]=4 3847 B12R1.3756 CCC(OCOC(=O)C)C1CC1 34a_100011351122_100009813279 [0,1,0,1,0,0|2,0,0]=4 3848 B12R1.3756 CCN(CCOC(=O)C)C1CC1 269982a_100000738653_100009814007 [0,1,0,1,0,0|2,0,0]=4 3849 B12R1.54 CC(=O)OCC(=O)C1CCCC1 1458a_100000183556_100000179811 [0,1,0,1,0,0|1,0,1]=4 3850 B12R1.54 CC(=O)OCC(C)N1CCCC1 270004a_100000188435_100000000629 [0,1,0,1,0,0|2,0,0]=4 3851 B12R1.54 CC(=O)OCN(C)C1CCCC1 269982a_100000207505_100000076356 [0,1,0,1,0,0|2,0,0]=4 3852 B12R1.54 CC(=O)OCN(C)C1CCCC1 34a_100000207505_100009813279 [0,1,0,1,0,0|2,0,0]=4 3853 B12R1.125 CC(=O)NCC1CCCCC1O 240690a_100011216029_100015343762 [0,1,0,1,0,0|1,1,0]=4 3854 B12R1.125 CC(=O)NCC1CCCCC1O 527a_100011216029_100103153847 [0,1,0,1,0,0|1,1,0]=4 3855 B12R1.125 CC(=O)OCN1CCCCC1C 269982a_100000211376_100000076356 [0,1,0,1,0,0|2,0,0]=4 3856 B12R1.125 CC(=O)OCN1CCCCC1C 34a_100000211376_100009813279 [0,1,0,1,0,0|2,0,0]=4 3857 B12R1.125 CC(=O)OCN1CCOC[C@@H]1C 269982a_100009815349_100000076356 [0,1,0,1,0,0|2,0,0]=4 3858 B12R1.125 CC(=O)OCN1CCOC[C@@H]1C 34a_100009815349_100009813279 [0,1,0,1,0,0|2,0,0]=4 3859 B12R1.221 CC(=O)OCC(C)N1CC(C1)C 270004a_100000702820_100000000629 [0,1,0,1,0,0|2,0,0]=4 3860 B12R1.224 CC(=O)NC1CCCC(C1C)C 11a_100000211273_100015343762 [0,1,0,1,0,0|2,0,0]=4 3861 B12R1.224 CC(=O)NC1CCCC(C1C)C 1626a_100000211273_100015343762 [0,1,0,1,0,0|2,0,0]=4 3862 B12R1.224 CC(=O)NC1CCCC(C1C)C 240690a_100000211273_100015343762 [0,1,0,1,0,0|2,0,0]=4 3863 B12R1.224 CC(=O)NC1CCCC(C1C)C 527a_100000211273_100103153847 [0,1,0,1,0,0|2,0,0]=4 3864 B12R1.1812 CC(=O)OCC(C)N(C)C1CC1 270004a_100000226674_100000000629 [0,1,0,1,0,0|2,0,0]=4 3865 B12R1.924 CC(=O)OCN1CCCC1(C)C 269982a_100000761399_100000076356 [0,1,0,1,0,0|2,0,0]=4 3866 B12R1.924 CC(=O)OCN1CCCC1(C)C 34a_100000761399_100009813279 [0,1,0,1,0,0|2,0,0]=4 3867 B12R1.1809 CC(=O)NCCC1(CCCC1)O 11a_100000719956_100015343762 [0,1,0,1,0,0|1,1,0]=4 3868 B12R1.1809 CC(=O)NCCC1(CCCC1)O 1626a_100000719956_100015343762 [0,1,0,1,0,0|1,1,0]=4 3869 B12R1.1809 CC(=O)NCCC1(CCCC1)O 240690a_100000719956_100015343762 [0,1,0,1,0,0|1,1,0]=4 3870 B12R1.1809 CC(=O)NCCC1(CCCC1)O 527a_100000719956_100103153847 [0,1,0,1,0,0|1,1,0]=4 3871 B12R1.1809 CC(=O)OCOC1(CCCC1)C 34a_100000751722_100009813279 [0,1,0,1,0,0|2,0,0]=4 3872 B12R1.3092 CC(=O)N1CCCC(CC1)(C)O 11a_100000723723_100015343762 [0,1,0,1,0,0|1,1,0]=4 3873 B12R1.3092 CC(=O)N1CCCC(CC1)(C)O 1626a_100000723723_100015343762 [0,1,0,1,0,0|1,1,0]=4 3874 B12R1.3092 CC(=O)N1CCCC(CC1)(C)O 240690a_100000723723_100015343762 [0,1,0,1,0,0|1,1,0]=4 3875 B12R1.3092 CC(=O)N1CCCC(CC1)(C)O 527a_100000723723_100103153847 [0,1,0,1,0,0|1,1,0]=4 3876 B12R1.3092 CC(=O)N1CCCC(CC1)(F)F 11a_100020621504_100015343762 [0,1,0,1,0,0|2,0,0]=4 3877 B12R1.3092 CC(=O)N1CCCC(CC1)(F)F 1626a_100020621504_100015343762 [0,1,0,1,0,0|2,0,0]=4 3878 B12R1.3092 CC(=O)N1CCCC(CC1)(F)F 240690a_100020621504_100015343762 [0,1,0,1,0,0|2,0,0]=4 3879 B12R1.3092 CC(=O)N1CCCC(CC1)(F)F 527a_100020621504_100103153847 [0,1,0,1,0,0|2,0,0]=4 3880 B12R1.1357 CC(=O)OCCC(=O)C1CCC1 1458a_100000209988_100009814007 [0,1,0,1,0,0|0,1,1]=4 3881 B12R1.1357 CC(=O)OCCC(=O)C1CCO1 1458a_100000089072_100009814007 [0,1,0,1,0,0|0,1,1]=4 3882 B12R1.1357 CC(=O)OCCC(=O)C1COC1 1458a_100000758290_100009814007 [0,1,0,1,0,0|0,1,1]=4 3883 B12R1.1357 CC(=O)OCCN(C)C1CCC1 269982a_100000758072_100009814007 [0,1,0,1,0,0|2,0,0]=4 3884 B12R1.1357 CC(=O)OCCN(C)C1CCC1 34a_100000758072_100009814007 [0,1,0,1,0,0|2,0,0]=4 3885 B12R1.1357 CC(=O)OCCN(C)C1COC1 269982a_100102693430_100009814007 [0,1,0,1,0,0|2,0,0]=4 3886 B12R1.1357 CC(=O)OCNC(C)C1CCC1 34a_100016994624_100009813279 [0,1,0,1,0,0|2,0,0]=4 3887 B12R1.1357 CC(=O)OCOC(C)C1CCC1 34a_100000766398_100009813279 [0,1,0,1,0,0|2,0,0]=4 3888 B12R1.1358 CC(=O)OCCC(=O)C1(CC1)C 1458a_100000756474_100009814007 [0,1,0,1,0,0|0,1,1]=4 3889 B12R1.1358 CC(=O)OCCC(=O)C1(CC1)F 1458a_100000055089_100009814007 [0,1,0,1,0,0|0,1,1]=4 3890 B12R1.1358 CC(=O)OCCC(=O)C1(CC1)O 1458a_100000241761_100009814007 [0,1,0,1,0,0|0,1,1]=4 3891 B12R1.1658 CC1CCCN(CC1)C(=O)CO 240690a_100025706717_100000210174 [0,1,0,1,0,0|2,0,0]=4 3892 B12R1.1658 CC1CCCN(CC1)C(=O)CO 527a_100025706717_100000210174 [0,1,0,1,0,0|2,0,0]=4 3893 B12R1.1658 CCC(=O)N1CCCC(CC1)C 11a_100025706717_100000210414 [0,1,0,1,0,0|2,0,0]=4 3894 B12R1.1658 CCC(=O)N1CCCC(CC1)C 1626a_100025706717_100000210414 [0,1,0,1,0,0|2,0,0]=4 3895 B12R1.1658 CCC(=O)N1CCCC(CC1)C 240690a_100025706717_100000210414 [0,1,0,1,0,0|2,0,0]=4 3896 B12R1.1658 CCC(=O)N1CCCC(CC1)C 527a_100025706717_100000210414 [0,1,0,1,0,0|2,0,0]=4 3897 B12R1.1658 CCC(=O)N1CCCC(CC1)O 240690a_100015186869_100000210414 [0,1,0,1,0,0|1,1,0]=4 3898 B12R1.1658 CCC(=O)N1CCCC(CC1)O 527a_100015186869_100000210414 [0,1,0,1,0,0|1,1,0]=4 3899 B12R1.1658 CNC(=O)N1CCCC(CC1)C 2708a_100102657272_100025706717 [0,1,0,1,0,0|2,0,0]=4 3900 B12R1.1658 CNC(=O)N1CCCC(CC1)C 273464a_100102657272_100025706717 [0,1,0,1,0,0|2,0,0]=4 3901 B12R1.1658 CNC(=O)N1CCCC(CC1)O 2708a_100102657272_100015186869 [0,1,0,1,0,0|1,1,0]=4 3902 B12R1.1658 CNC(=O)N1CCCC(CC1)O 273464a_100102657272_100015186869 [0,1,0,1,0,0|1,1,0]=4 3903 B12R1.1658 O=C(CO)N1CCCC(CC1)O 240690a_100015186869_100000210174 [0,1,0,1,0,0|1,1,0]=4 3904 B12R1.1658 O=C(CO)N1CCCC(CC1)O 527a_100015186869_100000210174 [0,1,0,1,0,0|1,1,0]=4 3905 B12R1.1663 CCC(C)N1CC(C1)OC(=O)C 269982a_100016994906_100000758301 [0,1,0,1,0,0|2,0,0]=4 3906 B12R1.332 CC(=O)OC1CN(C1)CCCF 269982a_100016994906_100011934791 [0,1,0,1,0,0|2,0,0]=4 3907 B12R1.332 CC(=O)OC1CN(C1)CCCO 269982a_100016994906_100011215043 [0,1,0,1,0,0|2,0,0]=4 3908 B12R1.332 CCCCN1CC(C1)OC(=O)C 269982a_100016994906_100000210211 [0,1,0,1,0,0|2,0,0]=4 3909 B12R1.332 CCOCN1CC(C1)OC(=O)C 269982a_100016994906_100000739092 [0,1,0,1,0,0|2,0,0]=4 3910 B12R1.332 COCCN1CC(C1)OC(=O)C 269982a_100016994906_100000233755 [0,1,0,1,0,0|2,0,0]=4 3911 B12R1.332 CSCCN1CC(C1)OC(=O)C 269982a_100016994906_100000212216 [0,1,0,1,0,0|2,0,0]=4 3912 B12R1.337 CCCNC1CCN(C1)C(=O)C 2230a_100000705975_100000210303 [0,1,0,1,0,0|2,0,0]=4 3913 B12R1.337 CCCO[C@H]1CCN(C1)C(=O)C 7a_100012000934_100000210303 [0,1,0,1,0,0|2,0,0]=4 3914 B12R1.430 CC(=O)OCCN1CC(C1)CF 269982a_100010363649_100009814007 [0,1,0,1,0,0|2,0,0]=4 3915 B12R1.430 CC(=O)OCCN1CC(C1)CF 34a_100010363649_100009814007 [0,1,0,1,0,0|2,0,0]=4 3916 B12R1.430 CC(=O)OCCN1CC(C1)CO 269982a_100016987283_100009814007 [0,1,0,1,0,0|2,0,0]=4 3917 B12R1.430 CC(=O)OCCN1CC(C1)CO 34a_100016987283_100009814007 [0,1,0,1,0,0|2,0,0]=4 3918 B12R1.430 CC(=O)OCSC1CC(C1)CO 62a_100000076356_100009874164 [0,1,0,1,0,0|2,0,0]=4 3919 B12R1.430 CC(=O)OCSC1CC(C1)CO 62a_100009874164_100000076356 [0,1,0,1,0,0|2,0,0]=4 3920 B12R1.430 CCC1CN(C1)CCOC(=O)C 269982a_100015205115_100009814007 [0,1,0,1,0,0|2,0,0]=4 3921 B12R1.430 COC1CN(C1)CCOC(=O)C 269982a_100000755009_100009814007 [0,1,0,1,0,0|2,0,0]=4 3922 B12R1.430 CSC1CN(C1)CCOC(=O)C 269982a_100016990038_100009814007 [0,1,0,1,0,0|2,0,0]=4 3923 B12R1.895 CC(=O)OCN1C(CCC1C)C 269982a_100000687148_100000076356 [0,1,0,1,0,0|2,0,0]=4 3924 B12R1.895 CC(=O)OCN1C(CCC1C)C 34a_100000687148_100009813279 [0,1,0,1,0,0|2,0,0]=4 3925 B12R1.50 CC1CCCC(C1)CC(=O)CF 1458a_100000748788_100015361967 [0,1,0,1,0,0|2,0,0]=4 3926 B12R1.50 CC1CCCC(C1)NC(=O)CO 240690a_100011194320_100000210174 [0,1,0,1,0,0|2,0,0]=4 3927 B12R1.50 CC1CCCC(C1)NC(=O)CO 527a_100011194320_100000210174 [0,1,0,1,0,0|2,0,0]=4 3928 B12R1.50 CCC(=O)CC1CCCC(C1)C 1458a_100000748788_100000210202 [0,1,0,1,0,0|2,0,0]=4 3929 B12R1.50 CCC(=O)NC1CCCC(C1)C 11a_100011194320_100000210414 [0,1,0,1,0,0|2,0,0]=4 3930 B12R1.50 CCC(=O)NC1CCCC(C1)C 1626a_100011194320_100000210414 [0,1,0,1,0,0|2,0,0]=4 3931 B12R1.50 CCC(=O)NC1CCCC(C1)C 240690a_100011194320_100000210414 [0,1,0,1,0,0|2,0,0]=4 3932 B12R1.50 CCC(=O)NC1CCCC(C1)C 527a_100011194320_100000210414 [0,1,0,1,0,0|2,0,0]=4 3933 B12R1.50 CCC(=O)NC1CCCC(C1)O 1626a_100015190357_100000210414 [0,1,0,1,0,0|1,1,0]=4 3934 B12R1.50 CCC(=O)NC1CCCC(C1)O 240690a_100015190357_100000210414 [0,1,0,1,0,0|1,1,0]=4 3935 B12R1.50 CNC(=O)CC1CCCC(C1)C 11a_106832991635_100000748788 [0,1,0,1,0,0|2,0,0]=4 3936 B12R1.50 CNC(=O)CC1CCCC(C1)C 1626a_100102657272_100000748788 [0,1,0,1,0,0|2,0,0]=4 3937 B12R1.50 CNC(=O)CC1CCCC(C1)C 240690a_100102657272_100000748788 [0,1,0,1,0,0|2,0,0]=4 3938 B12R1.50 CNC(=O)CC1CCCC(C1)C 527a_100102657272_100000748788 [0,1,0,1,0,0|2,0,0]=4 3939 B12R1.50 CNC(=O)NC1CCCC(C1)C 2708a_100011194320_106832991635 [0,1,0,1,0,0|2,0,0]=4 3940 B12R1.50 CNC(=O)NC1CCCC(C1)C 2708a_100102657272_100011194320 [0,1,0,1,0,0|2,0,0]=4 3941 B12R1.50 CNC(=O)NC1CCCC(C1)C 273464a_100011194320_100102657272 [0,1,0,1,0,0|2,0,0]=4 3942 B12R1.50 CNC(=O)NC1CCCC(C1)C 273464a_100102657272_100011194320 [0,1,0,1,0,0|2,0,0]=4 3943 B12R1.50 CNC(=O)NC1CCCC(C1)C 512a_100011194320_100102657272 [0,1,0,1,0,0|2,0,0]=4 3944 B12R1.50 CNC(=O)NC1CCCC(C1)C 512a_106832991638_100011194320 [0,1,0,1,0,0|2,0,0]=4 3945 B12R1.50 CNC(=O)NC1CCCC(C1)O 2708a_100102657272_100015190357 [0,1,0,1,0,0|1,1,0]=4 3946 B12R1.50 CNC(=O)NC1CCCC(C1)O 273464a_100015190357_100102657272 [0,1,0,1,0,0|1,1,0]=4 3947 B12R1.50 CNC(=O)NC1CCCC(C1)O 273464a_100102657272_100015190357 [0,1,0,1,0,0|1,1,0]=4 3948 B12R1.50 CNC(=O)NC1CCCC(C1)O 512a_100015190357_100102657272 [0,1,0,1,0,0|1,1,0]=4 3949 B12R1.50 CNC(=O)NC1CCCC(C1)O 512a_106832991638_100015190357 [0,1,0,1,0,0|1,1,0]=4 3950 B12R1.50 O=C(CO)NC1CCCC(C1)O 240690a_100015190357_100000210174 [0,1,0,1,0,0|1,1,0]=4 3951 B12R1.394 CNC(=O)OCCN1CC(C1)C 269982a_100000702820_200011997002 [0,1,0,1,0,0|2,0,0]=4 3952 B12R1.394 CNC(=O)OCCN1CC(C1)C 34a_100000702820_200011997002 [0,1,0,1,0,0|2,0,0]=4 3953 B12R1.477 CCC(=O)CCCC1CCCC1 1458a_100000210414_100011713738 [0,1,0,1,0,0|2,0,0]=4 3954 B12R1.477 CCC(=O)NCCC1CCCC1 11a_100000739158_100000210414 [0,1,0,1,0,0|2,0,0]=4 3955 B12R1.477 CCC(=O)NCCC1CCCC1 1626a_100000739158_100000210414 [0,1,0,1,0,0|2,0,0]=4 3956 B12R1.477 CCC(=O)NCCC1CCCC1 240690a_100000739158_100000210414 [0,1,0,1,0,0|2,0,0]=4 3957 B12R1.477 CCC(=O)NCCC1CCCC1 527a_100000739158_100000210414 [0,1,0,1,0,0|2,0,0]=4 3958 B12R1.477 CNC(=O)NCCC1CCCC1 2708a_100000739158_106832991635 [0,1,0,1,0,0|2,0,0]=4 3959 B12R1.477 CNC(=O)NCCC1CCCC1 2708a_100102657272_100000739158 [0,1,0,1,0,0|2,0,0]=4 3960 B12R1.477 CNC(=O)NCCC1CCCC1 273464a_100000739158_100102657272 [0,1,0,1,0,0|2,0,0]=4 3961 B12R1.477 CNC(=O)NCCC1CCCC1 273464a_100102657272_100000739158 [0,1,0,1,0,0|2,0,0]=4 3962 B12R1.477 CNC(=O)NCCC1CCCC1 512a_100000739158_100102657272 [0,1,0,1,0,0|2,0,0]=4 3963 B12R1.477 CNC(=O)NCCC1CCCC1 512a_106832991638_100000739158 [0,1,0,1,0,0|2,0,0]=4 3964 B12R1.477 CNC(=O)OCCN1CCCC1 269982a_100000188435_200011997002 [0,1,0,1,0,0|2,0,0]=4 3965 B12R1.477 COC(=O)OCSC1CCCC1 62a_100011217020_100000139417 [0,1,0,1,0,0|2,0,0]=4 3966 B12R1.477 O=C(CO)CCCC1CCCC1 1458a_100000210174_100011713738 [0,1,0,1,0,0|2,0,0]=4 3967 B12R1.477 O=C(CO)NCCC1CCCC1 240690a_100000739158_100000210174 [0,1,0,1,0,0|2,0,0]=4 3968 B12R1.477 O=C(CO)NCCC1CCCC1 527a_100000739158_100000210174 [0,1,0,1,0,0|2,0,0]=4 3969 B12R1.1689 CNC(=O)OCCC(=O)C1CC1 1458a_100000210395_200011997002 [0,1,0,1,0,0|0,1,1]=4 3970 B12R1.1689 CNC(=O)OCCN(C)C1CC1 269982a_100000226674_200011997002 [0,1,0,1,0,0|2,0,0]=4 3971 B12R2.252 CC(=O)N1C[C@H]2CCC[C@H]2C1 1626a_100102946302_100015343762 [0,0,0,2,0,0|2,0,0]=4 3972 B12R2.252 CC(=O)N1C[C@H]2CCC[C@H]2C1 240690a_100102946302_100015343762 [0,0,0,2,0,0|2,0,0]=4 3973 B12R2.1369 CC(=O)OC1CN(C1)C2CC2 269982a_100016994906_100000211595 [0,0,0,2,0,0|2,0,0]=4 3974 B12R2.3156 CC(=O)NC1CC2(C1)CCC2 11a_100016994570_100015343762 [0,0,0,2,0,0|2,0,0]=4 3975 B12R2.3156 CC(=O)NC1CC2(C1)CCC2 1626a_100016994570_100015343762 [0,0,0,2,0,0|2,0,0]=4 3976 B12R2.3156 CC(=O)NC1CC2(C1)CCC2 240690a_100016994570_100015343762 [0,0,0,2,0,0|2,0,0]=4 3977 B12R2.3156 CC(=O)NC1CC2(C1)CCC2 527a_100016994570_100103153847 [0,0,0,2,0,0|2,0,0]=4 3978 B12R2.251 CC(=O)N1CCC(C1)C2CC2 11a_100000695110_100015343762 [0,0,0,2,0,0|2,0,0]=4 3979 B12R2.251 CC(=O)N1CCC(C1)C2CC2 1626a_100000695110_100015343762 [0,0,0,2,0,0|2,0,0]=4 3980 B12R2.251 CC(=O)N1CCC(C1)C2CC2 240690a_100000695110_100015343762 [0,0,0,2,0,0|2,0,0]=4 3981 B12R2.251 CC(=O)N1CCC(C1)C2CC2 527a_100000695110_100103153847 [0,0,0,2,0,0|2,0,0]=4 3982 B12R2.3197 CC(=O)N1CCC2(C1)CCC2 11a_100000686913_100015343762 [0,0,0,2,0,0|2,0,0]=4 3983 B12R2.3197 CC(=O)N1CCC2(C1)CCC2 1626a_100000686913_100015343762 [0,0,0,2,0,0|2,0,0]=4 3984 B12R2.3197 CC(=O)N1CCC2(C1)CCC2 240690a_100000686913_100015343762 [0,0,0,2,0,0|2,0,0]=4 3985 B12R2.3197 CC(=O)N1CCC2(C1)CCC2 527a_100000686913_100103153847 [0,0,0,2,0,0|2,0,0]=4 3986 B12R2.1661 CC(=O)CC1CC2CCC1C2 1458a_100000211222_200000210301 [0,0,0,2,0,0|2,0,0]=4 3987 B12R2.1661 CC(=O)NC1CC2CCC1C2 11a_100000758229_100015343762 [0,0,0,2,0,0|2,0,0]=4 3988 B12R2.1661 CC(=O)NC1CC2CCC1C2 1626a_100000758229_100015343762 [0,0,0,2,0,0|2,0,0]=4 3989 B12R2.1661 CC(=O)NC1CC2CCC1C2 240690a_100000758229_100015343762 [0,0,0,2,0,0|2,0,0]=4 3990 B12R2.1661 CC(=O)NC1CC2CCC1C2 527a_100000758229_100103153847 [0,0,0,2,0,0|2,0,0]=4 3991 B12R2.1661 [13CH3]C(=O)CC1CC2CCC1C2 1458a_100000211222_200025704644 [0,0,0,2,0,0|2,0,0]=4 3992 B8R0.9 CCC(=O)COC(=O)C 1458a_100000183556_100000210202 [1,0,0,0,1,0|0,1,1]=4 3993 B8R0.9 CCC(C)CCC(=O)C 1458a_100000701222_200000210301 [1,0,0,0,1,0|1,0,0]=3 3994 B8R0.9 CCC(C)CCC(=O)[13CH3] 1458a_100000701222_200025704644 [1,0,0,0,1,0|1,0,0]=3 3995 B8R0.9 CCC(C)CNC(=O)C 11a_100020588543_100015343762 [1,0,0,0,1,0|2,0,0]=4 3996 B8R0.9 CCC(C)CNC(=O)C 1626a_100020588543_100015343762 [1,0,0,0,1,0|2,0,0]=4 3997 B8R0.9 CCC(C)CNC(=O)C 240690a_100020588543_100015343762 [1,0,0,0,1,0|2,0,0]=4 3998 B8R0.9 CCC(C)CNC(=O)C 527a_100020588543_100103153847 [1,0,0,0,1,0|2,0,0]=4 3999 B8R0.9 CCC(C)OCC(=O)C 34a_100000211253_100011215416 [1,0,0,0,1,0|2,0,0]=4 4000 B8R0.9 CCC(O)CNC(=O)C 11a_100011218483_100015343762 [1,0,0,0,1,0|1,1,0]=4 4001 B8R0.9 CCC(O)CNC(=O)C 240690a_100011218483_100015343762 [1,0,0,0,1,0|1,1,0]=4 4002 B8R0.9 CCC(O)CNC(=O)C 527a_100011218483_100103153847 [1,0,0,0,1,0|1,1,0]=4 4003 B8R0.9 CCN(C)CCC(=O)C 1458a_100000755305_200000210301 [1,0,0,0,1,0|2,0,0]=4 4004 B8R0.9 CCN(C)CCC(=O)C 269982a_100000225621_100000053229 [1,0,0,0,1,0|2,0,0]=4 4005 B8R0.9 CCN(C)CCC(=O)[13CH3] 1458a_100000755305_200025704644 [1,0,0,0,1,0|2,0,0]=4 4006 B8R0.9 CCN(C)COC(=O)C 269982a_100000225621_100000076356 [1,0,0,0,1,0|2,0,0]=4 4007 B8R0.9 CCS(=O)CCC(=O)C 1458a_100011387550_200000210301 [1,0,0,0,1,0|1,1,0]=4 4008 B8R0.9 CCS(=O)CCC(=O)[13CH3] 1458a_100011387550_200025704644 [1,0,0,0,1,0|1,1,0]=4 4009 B8R0.9 CNC(C)COC(=O)C 270004a_106832991635_100000000629 [1,0,0,0,1,0|2,0,0]=4 4010 B8R0.5 C=C(CCC)CC(=O)C 1458a_100000138376_200000210301 [0,0,0,0,2,0|1,0,1]=4 4011 B8R0.5 C=C(CCC)CC(=O)[13CH3] 1458a_100000138376_200025704644 [0,0,0,0,2,0|1,0,1]=4 4012 B8R0.5 CCCC(=O)CC(=O)C 1458a_100000070787_100000747444 [0,0,0,0,2,0|0,1,1]=4 4013 B8R0.5 CCCC(C)CC(=O)C 1458a_100000070787_100011216630 [0,0,0,0,2,0|1,0,0]=3 4014 B8R0.5 CCCC(C)CC(=O)C 1458a_100000748435_200000210301 [0,0,0,0,2,0|1,0,0]=3 4015 B8R0.5 CCCC(C)CC(=O)[13CH3] 1458a_100000748435_200025704644 [0,0,0,0,2,0|1,0,0]=3 4016 B8R0.5 CCCC(C)NC(=O)C 11a_100000741246_100015343762 [0,0,0,0,2,0|2,0,0]=4 4017 B8R0.5 CCCC(C)NC(=O)C 1626a_100000741246_100015343762 [0,0,0,0,2,0|2,0,0]=4 4018 B8R0.5 CCCC(C)NC(=O)C 240690a_100000741246_100015343762 [0,0,0,0,2,0|2,0,0]=4 4019 B8R0.5 CCCC(C)NC(=O)C 527a_100000741246_100103153847 [0,0,0,0,2,0|2,0,0]=4 4020 B8R0.5 CCCS(=O)CC(=O)C 1458a_100011387404_200000210301 [0,0,0,0,2,0|1,1,0]=4 4021 B8R0.5 CCCS(=O)CC(=O)[13CH3] 1458a_100011387404_200025704644 [0,0,0,0,2,0|1,1,0]=4 4022 B8R0.5 CCSC(C)CC(=O)C 1458a_200011311441_200000210301 [0,0,0,0,2,0|2,0,0]=4 4023 B8R0.5 CCSC(C)CC(=O)[13CH3] 1458a_200011311441_200025704644 [0,0,0,0,2,0|2,0,0]=4 4024 B8R0.5 CCSC(C)OC(=O)C 62a_100000210202_100009818208 [0,0,0,0,2,0|2,0,0]=4 4025 B8R0.5 CCSC(C)OC(=O)C 62a_100009818208_100000210202 [0,0,0,0,2,0|2,0,0]=4 4026 B12R0.277 C=C(C)CCOCCC(C)CCC 34a_100011217855_100000730704 [0,0,0,0,0,2|2,0,0]=4 4027 B12R0.277 C=C(C)CCOCCC(C)CCC 7a_100011217855_100000730704 [0,0,0,0,0,2|2,0,0]=4 4028 B12R0.277 C=C(C)CCOCC[C@@H](N)CCC 34a_100015193777_100000730704 [0,0,0,0,0,2|2,0,0]=4 4029 B12R0.277 C=C(C)COCCCC(C)CCC 34a_100011713154_100000748629 [0,0,0,0,0,2|2,0,0]=4 4030 B12R0.277 C=C(C)COCCCC(C)CCC 7a_100011713154_100000748629 [0,0,0,0,0,2|2,0,0]=4 4031 B12R0.277 CC(=O)OCCCN[C@H](C)CCO 34a_100000706166_100000042594 [0,0,0,0,0,2|2,0,0]=4 4032 B12R0.277 CC(=O)OCCCOC(C)CCBr 34a_100012276601_100000042594 [0,0,0,0,0,2|2,0,0]=4 4033 B12R0.277 CC(=O)OCCCSC(C)CCO 62a_100000042594_100009893172 [0,0,0,0,0,2|2,0,0]=4 4034 B12R0.277 CC(=O)OCCCSC(C)CCO 62a_100009893172_100000042594 [0,0,0,0,0,2|2,0,0]=4 4035 B12R0.277 CC(=O)OCCOCC(C)CCN 34a_106354213184_100009814007 [0,0,0,0,0,2|2,0,0]=4 4036 B12R0.277 CCCC(=O)CCCCOC(=O)C 1458a_100000211992_100000033659 [0,0,0,0,0,2|0,1,1]=4 4037 B12R0.277 CCCC(=O)CSCCOC(=O)C 62a_100000747444_100009814007 [0,0,0,0,0,2|0,1,1]=4 4038 B12R0.277 CCCC(=O)CSCCOC(=O)C 62a_100009814007_100000747444 [0,0,0,0,0,2|0,1,1]=4 4039 B12R0.277 CCCC(=O)OCSCOC(=O)C 62a_100000076356_100000034017 [0,0,0,0,0,2|0,1,1]=4 4040 B12R0.277 CCCC(C)CCCOCC(=O)N 34a_100011713154_100000187820 [0,0,0,0,0,2|2,0,0]=4 4041 B12R0.277 CCCC(C)CCCOCC(=O)N 7a_100011713154_100000187820 [0,0,0,0,0,2|2,0,0]=4 4042 B12R0.277 CCCC(C)CCCOCC(=O)[O-] 34a_100011713154_100020667443 [0,0,0,0,0,2|2,0,0]=4 4043 B12R0.277 CCCC(C)CCOCC=C(C)C 34a_100011217855_100000761012 [0,0,0,0,0,2|2,0,0]=4 4044 B12R0.277 CCCC(C)CCOCC=C(C)C 7a_100011217855_100000761012 [0,0,0,0,0,2|2,0,0]=4 4045 B12R0.277 CCCC(C)CCOCCC(=O)C 7a_100011217855_100000053229 [0,0,0,0,0,2|1,0,0]=3 4046 B12R0.277 CCCC(C)CCOCCC(=O)N 34a_100011217855_100000731001 [0,0,0,0,0,2|2,0,0]=4 4047 B12R0.277 CCCC(C)CCOCCC(=O)N 7a_100011217855_100000744528 [0,0,0,0,0,2|2,0,0]=4 4048 B12R0.277 CCCC(C)CCOCOC(=O)C 34a_100011217855_100009813279 [0,0,0,0,0,2|1,0,0]=3 4049 B12R0.277 CCCC(C)CNCCNC(=O)C 2230a_100000209853_100011216630 [0,0,0,0,0,2|2,0,0]=4 4050 B12R0.277 CCCC(C)COCCCC(=O)C 34a_100000688023_100000685027 [0,0,0,0,0,2|2,0,0]=4 4051 B12R0.277 CCCC(C)COCCCC(=O)C 34a_100000759063_100011216630 [0,0,0,0,0,2|2,0,0]=4 4052 B12R0.277 CCCC(C)COCCCC(=O)C 7a_100000688023_100011215641 [0,0,0,0,0,2|2,0,0]=4 4053 B12R0.277 CCCC(C)COCCCC(=O)C 7a_100000759063_100011216630 [0,0,0,0,0,2|2,0,0]=4 4054 B12R0.277 CCCC(C)COCCNC(=O)C 34a_100000158858_100011216630 [0,0,0,0,0,2|2,0,0]=4 4055 B12R0.277 CCCC(C)COCCNC(=O)C 7a_100000688023_100000189650 [0,0,0,0,0,2|2,0,0]=4 4056 B12R0.277 CCCC(C)COCCOC(=O)C 34a_100000688023_100009814007 [0,0,0,0,0,2|1,0,0]=3 4057 B12R0.277 CCCC(C)COCCOC(=O)C 7a_100000688023_100009814007 [0,0,0,0,0,2|1,0,0]=3 4058 B12R0.277 CCCC(C)COCCOC(=O)N 34a_100000688023_200011214921 [0,0,0,0,0,2|2,0,0]=4 4059 B12R0.277 CCCC(C)COCCOC(=O)N 7a_100000688023_200011214921 [0,0,0,0,0,2|2,0,0]=4 4060 B12R0.277 CCCC(C)COCCOC(=O)N 7a_100000766696_100011216630 [0,0,0,0,0,2|2,0,0]=4 4061 B12R0.277 CCCC(C)CSCCCC(=O)C 62a_100011215641_100011216630 [0,0,0,0,0,2|2,0,0]=4 4062 B12R0.277 CCCC(C)CSCCCC(=O)C 62a_100011216630_100011215641 [0,0,0,0,0,2|2,0,0]=4 4063 B12R0.277 CCCC(C)CSCCNC(=O)C 62a_100000189650_100011216630 [0,0,0,0,0,2|2,0,0]=4 4064 B12R0.277 CCCC(C)CSCCNC(=O)C 62a_100011216630_100000189650 [0,0,0,0,0,2|2,0,0]=4 4065 B12R0.277 CCCC(C)CSCCOC(=O)C 62a_100009814007_100011216630 [0,0,0,0,0,2|1,0,0]=3 4066 B12R0.277 CCCC(C)CSCCOC(=O)C 62a_100011216630_100009814007 [0,0,0,0,0,2|1,0,0]=3 4067 B12R0.277 CCCC(C)CSCCOC(=O)N 62a_100011216630_200011214921 [0,0,0,0,0,2|2,0,0]=4 4068 B12R0.277 CCCC(C)CSCCOC(=O)N 62a_200011214921_100011216630 [0,0,0,0,0,2|2,0,0]=4 4069 B12R0.277 CCCC(C)NCCCNC(=O)C 270004a_100000736810_100000211909 [0,0,0,0,0,2|2,0,0]=4 4070 B12R0.277 CCCC(C)NCCCNC(=O)C 34a_100000736810_100000766640 [0,0,0,0,0,2|2,0,0]=4 4071 B12R0.277 CCCC(C)NCCCOC(=S)C 2230a_100000741246_200135323944 [0,0,0,0,0,2|1,1,0]=4 4072 B12R0.277 CCCC(C)NCCCSC(=O)C 2230a_100000741246_100000038929 [0,0,0,0,0,2|1,1,0]=4 4073 B12R0.277 CCCC(C)NCCOCC(=O)N 2230a_100000741246_100000076697 [0,0,0,0,0,2|2,0,0]=4 4074 B12R0.277 CCCC(C)NCCOCC(=O)O 269956a_100000700818_100000766640 [0,0,0,0,0,2|2,0,0]=4 4075 B12R0.277 CCCC(C)OCCCCC(=O)C 34a_100000764384_100009817362 [0,0,0,0,0,2|2,0,0]=4 4076 B12R0.277 CCCC(C)OCCCCC(=O)C 7a_100000764384_100000735457 [0,0,0,0,0,2|2,0,0]=4 4077 B12R0.277 CCCC(C)OCCCNC(=O)C 34a_100000752032_100000766640 [0,0,0,0,0,2|2,0,0]=4 4078 B12R0.277 CCCC(C)OCCCOC(=O)C 34a_100000764384_100000042594 [0,0,0,0,0,2|1,0,0]=3 4079 B12R0.277 CCCC(C)OCCCOC(=O)C 7a_100000764384_100000042594 [0,0,0,0,0,2|1,0,0]=3 4080 B12R0.277 CCCC(C)OCCCOC(=S)C 34a_100000764384_200135323944 [0,0,0,0,0,2|1,1,0]=4 4081 B12R0.277 CCCC(C)OCCCOC(=S)C 7a_100000764384_200135323944 [0,0,0,0,0,2|1,1,0]=4 4082 B12R0.277 CCCC(C)OCCCSC(=O)C 34a_100000764384_100000038929 [0,0,0,0,0,2|1,1,0]=4 4083 B12R0.277 CCCC(C)OCCCSC(=O)C 7a_100000764384_100000038929 [0,0,0,0,0,2|1,1,0]=4 4084 B12R0.277 CCCC(C)OCCOCC(=O)N 34a_100000764384_100000076697 [0,0,0,0,0,2|2,0,0]=4 4085 B12R0.277 CCCC(C)OCCOCC(=O)N 7a_100000764384_100000076697 [0,0,0,0,0,2|2,0,0]=4 4086 B12R0.277 CCCC(C)SCCCCC(=O)C 62a_100000735457_100000766640 [0,0,0,0,0,2|2,0,0]=4 4087 B12R0.277 CCCC(C)SCCCCC(=O)C 62a_100000766640_100000735457 [0,0,0,0,0,2|2,0,0]=4 4088 B12R0.277 CCCC(C)SCCCOC(=O)C 62a_100000042594_100000766640 [0,0,0,0,0,2|1,0,0]=3 4089 B12R0.277 CCCC(C)SCCCOC(=O)C 62a_100000766640_100000042594 [0,0,0,0,0,2|1,0,0]=3 4090 B12R0.277 CCCC(C)SCCCOC(=S)C 62a_100000766640_200135323944 [0,0,0,0,0,2|1,1,0]=4 4091 B12R0.277 CCCC(C)SCCCOC(=S)C 62a_200135323944_100000766640 [0,0,0,0,0,2|1,1,0]=4 4092 B12R0.277 CCCC(C)SCCCSC(=O)C 62a_100000038929_100000766640 [0,0,0,0,0,2|1,1,0]=4 4093 B12R0.277 CCCC(C)SCCCSC(=O)C 62a_100000766640_100000038929 [0,0,0,0,0,2|1,1,0]=4 4094 B12R0.277 CCCC(C)SCCOCC(=O)N 62a_100000076697_100000766640 [0,0,0,0,0,2|2,0,0]=4 4095 B12R0.277 CCCC(C)SCCOCC(=O)N 62a_100000766640_100000076697 [0,0,0,0,0,2|2,0,0]=4 4096 B12R0.277 CCCN(C)CCCCOC(=O)C 269982a_100000747261_100000033659 [0,0,0,0,0,2|2,0,0]=4 4097 B12R0.277 CCCN(C)COCCOC(=O)C 269982a_100000747261_100000076355 [0,0,0,0,0,2|2,0,0]=4 4098 B12R0.277 CCC[C@H](N)CCOCC=C(C)C 34a_100015193777_100000761012 [0,0,0,0,0,2|2,0,0]=4 4099 B12R0.277 CCC[C@H](N)CCOCCC(=O)N 34a_100015193777_100000731001 [0,0,0,0,0,2|2,0,0]=4 4100 B12R0.277 CCC[C@H](N)CCOCOC(=O)C 34a_100015193777_100009813279 [0,0,0,0,0,2|1,0,0]=3 4101 B12R0.277 CCC[C@H](N)COCCCC(=O)C 34a_100000732646_100000685027 [0,0,0,0,0,2|2,0,0]=4 4102 B12R0.277 CCC[C@H](N)COCCOC(=O)C 34a_100000732646_100009814007 [0,0,0,0,0,2|1,0,0]=3 4103 B12R0.277 CCC[C@H](N)COCCOC(=O)N 34a_100000732646_200011214921 [0,0,0,0,0,2|2,0,0]=4 4104 B12R0.277 COCC(C)SCCCOC(=O)C 62a_100000042594_100000765312 [0,0,0,0,0,2|2,0,0]=4 4105 B12R0.277 COCC(C)SCCCOC(=O)C 62a_100000765312_100000042594 [0,0,0,0,0,2|2,0,0]=4 4106 B12R0.277 COCC(N)COCCOC(=O)C 34a_100000724102_100009814007 [0,0,0,0,0,2|2,0,0]=4 4107 B12R0.277 COCC(O)CNCCOC(=O)C 34a_100000756049_100009814007 [0,0,0,0,0,2|1,1,0]=4 4108 B12R0.277 COCC(O)CSCCOC(=O)C 62a_100009814007_100011215053 [0,0,0,0,0,2|1,1,0]=4 4109 B12R0.277 COCC(O)CSCCOC(=O)C 62a_100011215053_100009814007 [0,0,0,0,0,2|1,1,0]=4 4110 B12R0.277 COC[C@@H](C)OCCCOC(=O)C 34a_100011934205_100000042594 [0,0,0,0,0,2|2,0,0]=4