0 B9R0.1 C#CC(=O)CCC=C(C)C 1458a_100000211873_100011217483 [0,0,0,0,0,0|2,0,2]=4 1 B9R0.1 C#CC(C)NCC=C(C)C 2230a_100000707721_100000761012 [0,0,0,0,0,0|2,0,1]=3 2 B9R0.1 C#CC(C)NCC=C(C)C 34a_100000707721_100000761012 [0,0,0,0,0,0|2,0,1]=3 3 B9R0.1 C#CC(C)NCC=C(C)C 34a_100000718196_200000035995 [0,0,0,0,0,0|2,0,1]=3 4 B9R0.1 C#CC(C)OCC=C(C)C 34a_100000753907_200000035995 [0,0,0,0,0,0|2,0,1]=3 5 B9R0.1 C#CC(C)SCC=C(C)C 62a_200000035995_100000761012 [0,0,0,0,0,0|2,0,1]=3 6 B9R0.1 C#C[C@@H](C)OCC=C(C)C 34a_100009815206_100000761012 [0,0,0,0,0,0|2,0,1]=3 7 B9R0.1 C#C[C@@H](C)OCC=C(C)C 7a_100009815206_100000761012 [0,0,0,0,0,0|2,0,1]=3 8 B9R0.1 C=C(C)C=NNC(C)CC 4a_100000718999_100000210575 [0,0,0,0,0,0|3,0,1]=4 9 B9R0.1 C=C(C)CCNC(C)CC 2230a_100000209981_100000730704 [0,0,0,0,0,0|2,0,2]=4 10 B9R0.1 C=C(C)CCOC(C)CC 34a_100000764851_100011215416 [0,0,0,0,0,0|2,0,2]=4 11 B9R0.1 C=C(C)CCOC(C)CC 7a_100000210228_100000730704 [0,0,0,0,0,0|2,0,2]=4 12 B9R0.1 C=C(C)CCSC(C)CC 62a_100000730704_100000758301 [0,0,0,0,0,0|2,0,2]=4 13 B9R0.1 C=C(C)CCSC(C)CC 62a_100000758301_100000730704 [0,0,0,0,0,0|2,0,2]=4 14 B9R0.1 C=C(C)CCSC(C)OC 62a_100000730704_100009879195 [0,0,0,0,0,0|2,0,2]=4 15 B9R0.1 C=C(C)CCSC(C)OC 62a_100009879195_100000730704 [0,0,0,0,0,0|2,0,2]=4 16 B9R0.1 C=C(C)CNCC(C)CC 2230a_100020588543_100000748629 [0,0,0,0,0,0|2,0,2]=4 17 B9R0.1 C=C(C)CNC[C@@H](C)OC 2230a_100020591295_100000748629 [0,0,0,0,0,0|2,0,2]=4 18 B9R0.1 C=C(C)COCC(C)CC 34a_100000210245_100000748023 [0,0,0,0,0,0|2,0,2]=4 19 B9R0.1 C=C(C)COCC(C)OC 34a_100000690652_100000748629 [0,0,0,0,0,0|2,0,2]=4 20 B9R0.1 C=C(C)COC[C@@H](C)CC 34a_100000210245_100009816398 [0,0,0,0,0,0|2,0,2]=4 21 B9R0.1 C=C(C)COC[C@@H](C)CC 7a_100009816381_100000748629 [0,0,0,0,0,0|2,0,2]=4 22 B9R0.1 C=C(C)CSCC(C)CC 62a_100000748023_100000211660 [0,0,0,0,0,0|2,0,2]=4 23 B9R0.1 C=C(C)CSCC(C)CC 62a_100000748629_100000748023 [0,0,0,0,0,0|2,0,2]=4 24 B9R0.1 C=C(C)CSC[C@@H](C)CC 62a_100000748629_100009816398 [0,0,0,0,0,0|2,0,2]=4 25 B9R0.1 C=C(C)CSC[C@@H](C)CC 62a_100009816398_100000211660 [0,0,0,0,0,0|2,0,2]=4 26 B9R0.1 C=CC(=O)CCC=C(C)C 1458a_100000185746_100011217483 [0,0,0,0,0,0|2,0,2]=4 27 B9R0.1 C=CC(C)OCC=C(C)C 34a_100000695699_100000761012 [0,0,0,0,0,0|2,0,1]=3 28 B9R0.1 C=CC(C)SCC=C(C)C 62a_100011215867_100000761012 [0,0,0,0,0,0|2,0,1]=3 29 B9R0.1 CC(=CCCC(=O)CO)C 1458a_100000210174_100011217483 [0,0,0,0,0,0|3,0,1]=4 30 B9R0.1 CC(=CCCC(C)O[13CH3])C 34a_100102619829_200025704644 [0,0,0,0,0,0|1,0,0]=1 31 B9R0.1 CC(=CCCC(C)O[13CH3])C 7a_100102619829_200025704644 [0,0,0,0,0,0|1,0,0]=1 32 B9R0.1 CC(=CCNC(C)C#N)C 2230a_100000737613_100000761012 [0,0,0,0,0,0|3,0,0]=3 33 B9R0.1 CC(=CCNC(C)CO)C 34a_100000718196_100012180447 [0,0,0,0,0,0|3,0,0]=3 34 B9R0.1 CC(=CCN[C@H](C)CO)C 2230a_100000737577_100000761012 [0,0,0,0,0,0|3,0,0]=3 35 B9R0.1 CC(=CCOC(C)C#N)C 34a_100011218135_100000761012 [0,0,0,0,0,0|3,0,0]=3 36 B9R0.1 CC(=CCOC(C)CF)C 34a_100016041109_100000761012 [0,0,0,0,0,0|3,0,0]=3 37 B9R0.1 CC(=CCOC(C)CF)C 7a_100016041109_100000761012 [0,0,0,0,0,0|3,0,0]=3 38 B9R0.1 CC(=CCOC(C)CN)C 34a_100000210904_100000761012 [0,0,0,0,0,0|3,0,0]=3 39 B9R0.1 CC(=CCOC(C)CO)C 34a_100000753907_100012180447 [0,0,0,0,0,0|3,0,0]=3 40 B9R0.1 CC(=CCSC(C)C#N)C 62a_100000703298_100000761012 [0,0,0,0,0,0|3,0,0]=3 41 B9R0.1 CC(=CCSC(C)C#N)C 62a_100000761012_100000703298 [0,0,0,0,0,0|3,0,0]=3 42 B9R0.1 CC(=CCSC(C)CO)C 62a_100012180447_100000761012 [0,0,0,0,0,0|3,0,0]=3 43 B9R0.1 CC(=CCSC(F)C#N)C 62a_100000761012_200000117898 [0,0,0,0,0,0|4,0,0]=4 44 B9R0.1 CC(=CCSC(F)C#N)C 62a_200000117898_100000761012 [0,0,0,0,0,0|4,0,0]=4 45 B9R0.1 CC(=CCS[C@H](C)CO)C 62a_100000761012_100016084084 [0,0,0,0,0,0|3,0,0]=3 46 B9R0.1 CC(=CCS[C@H](C)CO)C 62a_100016084084_100000761012 [0,0,0,0,0,0|3,0,0]=3 47 B9R0.1 CC(=O)NCCC(C)CO 240690a_106354213184_100015343762 [0,0,0,0,0,0|4,0,0]=4 48 B9R0.1 CC(=O)NCCC(C)CO 527a_106354213184_100103153847 [0,0,0,0,0,0|4,0,0]=4 49 B9R0.1 CC(C)CCCC(C)N[13CH3] 2230a_100000210607_200025704644 [0,0,0,0,0,0|0,0,2]=2 50 B9R0.1 CC(C)CCCC(C)O[13CH3] 34a_200011218570_200025704644 [0,0,0,0,0,0|1,0,2]=3 51 B9R0.1 CC(C)CCCC(C)O[13CH3] 7a_200011218570_200025704644 [0,0,0,0,0,0|1,0,2]=3 52 B9R0.1 CC(CCCC(=O)[O-])O[13CH3] 7a_100000761597_200025704644 [0,0,0,0,0,0|3,0,1]=4 53 B9R0.1 CC(CO)CCNC(C)C 2230a_106354213184_100000210206 [0,0,0,0,0,0|3,0,1]=4 54 B9R0.1 CC(CO)CCNC(C)C 34a_106354213184_100000210206 [0,0,0,0,0,0|3,0,1]=4 55 B9R0.1 CCC(=O)CCC=C(C)C 1458a_100000210414_100011217483 [0,0,0,0,0,0|2,0,1]=3 56 B9R0.1 CCC(=O)NCC=C(C)C 11a_100000718196_100000210414 [0,0,0,0,0,0|3,0,1]=4 57 B9R0.1 CCC(=O)NCC=C(C)C 1626a_100000718196_100000210414 [0,0,0,0,0,0|3,0,1]=4 58 B9R0.1 CCC(=O)NCC=C(C)C 527a_100000718196_100000210414 [0,0,0,0,0,0|3,0,1]=4 59 B9R0.1 CCC(C)CCNC(=O)C 11a_100020591266_100015343762 [0,0,0,0,0,0|3,0,0]=3 60 B9R0.1 CCC(C)CCNC(=O)C 1626a_100020591266_100015343762 [0,0,0,0,0,0|3,0,0]=3 61 B9R0.1 CCC(C)CCNC(=O)C 240690a_100020591266_100015343762 [0,0,0,0,0,0|3,0,0]=3 62 B9R0.1 CCC(C)CCNC(=O)C 527a_100020591266_100103153847 [0,0,0,0,0,0|3,0,0]=3 63 B9R0.1 CCC(C)CCNC(C)C 2230a_100020591266_100000210206 [0,0,0,0,0,0|2,0,1]=3 64 B9R0.1 CCC(C)CCOC(C)C 7a_100011215188_100000210206 [0,0,0,0,0,0|2,0,1]=3 65 B9R0.1 CCC(C)CNCC(C)C 2230a_100000210953_100000748023 [0,0,0,0,0,0|2,0,2]=4 66 B9R0.1 CCC(C)CNCC(C)C 2230a_100020588543_100000210760 [0,0,0,0,0,0|2,0,2]=4 67 B9R0.1 CCC(C)CNCC(C)C 270004a_100000210953_100000243153 [0,0,0,0,0,0|2,0,2]=4 68 B9R0.1 CCC(C)CNCC(C)C 270004a_100020588543_100000210432 [0,0,0,0,0,0|2,0,2]=4 69 B9R0.1 CCC(C)CNCC(C)C 34a_100000210953_100000748023 [0,0,0,0,0,0|2,0,2]=4 70 B9R0.1 CCC(C)COCC(=O)C 34a_100000211253_100000748023 [0,0,0,0,0,0|3,0,1]=4 71 B9R0.1 CCC(C)COCC(C)C 34a_100000210257_100000748023 [0,0,0,0,0,0|2,0,2]=4 72 B9R0.1 CCC(C)CSCC(C)C 62a_100000210624_100000748023 [0,0,0,0,0,0|2,0,2]=4 73 B9R0.1 CCC(C)CSCC(C)C 62a_100000748023_100000210760 [0,0,0,0,0,0|2,0,2]=4 74 B9R0.1 CCC(C)NCC=C(C)C 2230a_100000209981_100000761012 [0,0,0,0,0,0|2,0,0]=2 75 B9R0.1 CCC(C)NCC=C(C)C 34a_100000718196_100011215416 [0,0,0,0,0,0|2,0,0]=2 76 B9R0.1 CCC(C)NCCC(C)C 2230a_100000209981_100000210312 [0,0,0,0,0,0|2,0,2]=4 77 B9R0.1 CCC(C)NCCC(C)C 269862a_100000209981_100000185833 [0,0,0,0,0,0|2,0,2]=4 78 B9R0.1 CCC(C)NCOC(C)C 2230a_100000209981_100000709892 [0,0,0,0,0,0|3,0,1]=4 79 B9R0.1 CCC(C)NN=CC(C)C 4a_100000718999_100000210432 [0,0,0,0,0,0|3,0,1]=4 80 B9R0.1 CCC(C)OCC=C(C)C 34a_100000753907_100011215416 [0,0,0,0,0,0|2,0,0]=2 81 B9R0.1 CCC(C)OCC=C(C)C 7a_100000210228_100000761012 [0,0,0,0,0,0|2,0,0]=2 82 B9R0.1 CCC(C)OCCC(=O)C 34a_100000759926_100011215416 [0,0,0,0,0,0|3,0,1]=4 83 B9R0.1 CCC(C)OCCC(=O)C 7a_100000210228_100000053229 [0,0,0,0,0,0|3,0,1]=4 84 B9R0.1 CCC(C)OCCC(=O)C 7a_100000759926_100000758301 [0,0,0,0,0,0|3,0,1]=4 85 B9R0.1 CCC(C)OCCC(C)C 34a_100000210254_100011215416 [0,0,0,0,0,0|2,0,2]=4 86 B9R0.1 CCC(C)OCCC(C)C 7a_100000210228_100000210626 [0,0,0,0,0,0|2,0,2]=4 87 B9R0.1 CCC(C)OCCC(C)C 7a_100000210254_100000758301 [0,0,0,0,0,0|2,0,2]=4 88 B9R0.1 CCC(C)OCCN(C)C 7a_100000210228_100000755713 [0,0,0,0,0,0|3,0,1]=4 89 B9R0.1 CCC(C)SCC=C(C)C 62a_100000758301_100000761012 [0,0,0,0,0,0|2,0,0]=2 90 B9R0.1 CCC(C)SCC=C(C)C 62a_100000761012_100000758301 [0,0,0,0,0,0|2,0,0]=2 91 B9R0.1 CCC(C)SCCC(=O)C 62a_100000053229_100000758301 [0,0,0,0,0,0|3,0,1]=4 92 B9R0.1 CCC(C)SCCC(=O)C 62a_100000758301_100000053229 [0,0,0,0,0,0|3,0,1]=4 93 B9R0.1 CCC(C)SCCC(C)C 62a_100000210312_100000758301 [0,0,0,0,0,0|2,0,2]=4 94 B9R0.1 CCC(C)SCCC(C)C 62a_100000758301_100000210312 [0,0,0,0,0,0|2,0,2]=4 95 B9R0.1 CCC(C)SCCN(C)C 62a_100000758301_100000755713 [0,0,0,0,0,0|3,0,1]=4 96 B9R0.1 CCC(C)SCOC(=O)C 62a_100000076356_100000758301 [0,0,0,0,0,0|4,0,0]=4 97 B9R0.1 CCC(C)SCOC(=O)C 62a_100000758301_100000076356 [0,0,0,0,0,0|4,0,0]=4 98 B9R0.1 CCC(C)SCOC(C)C 62a_100000709892_100000758301 [0,0,0,0,0,0|3,0,1]=4 99 B9R0.1 CCC(C)SCOC(C)C 62a_100000758301_100000709892 [0,0,0,0,0,0|3,0,1]=4 100 B9R0.1 CCN(C)CCC=C(C)C 2230a_100000225621_100011217483 [0,0,0,0,0,0|2,0,0]=2 101 B9R0.1 CCN(C)CCC=C(C)C 269982a_100000225621_100011217483 [0,0,0,0,0,0|2,0,0]=2 102 B9R0.1 CCN(C)CCC=C(F)F 2230a_100000225621_200009816681 [0,0,0,0,0,0|4,0,0]=4 103 B9R0.1 CCN(C)CCC=C(F)F 269982a_100000225621_200009816681 [0,0,0,0,0,0|4,0,0]=4 104 B9R0.1 CCN(C)CCCC(=O)C 1458a_100000070787_100015186262 [0,0,0,0,0,0|3,0,1]=4 105 B9R0.1 CCN(C)CCCC(=O)C 269982a_100000225621_100011215641 [0,0,0,0,0,0|3,0,1]=4 106 B9R0.1 CCN(C)CCCC(C)C 2230a_100000225621_100011214892 [0,0,0,0,0,0|2,0,2]=4 107 B9R0.1 CCN(C)CCCC(C)C 269982a_100000225621_100011214892 [0,0,0,0,0,0|2,0,2]=4 108 B9R0.1 CCN(C)CCCN(C)C 2230a_100102631434_100015186262 [0,0,0,0,0,0|3,0,1]=4 109 B9R0.1 CCN(C)CCCN(C)C 269982a_100000225621_100000757444 [0,0,0,0,0,0|3,0,1]=4 110 B9R0.1 CCN(C)CCCN(C)C 269982a_100000225831_100000204670 [0,0,0,0,0,0|3,0,1]=4 111 B9R0.1 CCN(C)CCCN(C)C 269982a_100000225837_200000210301 [0,0,0,0,0,0|3,0,1]=4 112 B9R0.1 CCN(C)CCCN(C)C 269982a_100102631434_100015186262 [0,0,0,0,0,0|3,0,1]=4 113 B9R0.1 CCN(C)CCNC(=O)C 2230a_100000225621_100000189650 [0,0,0,0,0,0|4,0,0]=4 114 B9R0.1 CCN(C)CCNC(=O)C 269982a_100000225621_100000189650 [0,0,0,0,0,0|4,0,0]=4 115 B9R0.1 CCN(C)CCOC(=O)C 269982a_100000225621_100009814007 [0,0,0,0,0,0|4,0,0]=4 116 B9R0.1 CCN(C)CCOC(C)C 2230a_100000225621_100000211751 [0,0,0,0,0,0|3,0,1]=4 117 B9R0.1 CCN(C)CCOC(C)C 269982a_100000225621_100000211751 [0,0,0,0,0,0|3,0,1]=4 118 B9R0.1 CCN(C)CCSC(C)C 2230a_100000225621_100000730970 [0,0,0,0,0,0|3,0,1]=4 119 B9R0.1 CCN(C)CCSC(C)C 269982a_100000225621_100000730970 [0,0,0,0,0,0|3,0,1]=4 120 B9R0.1 CCN([13CH3])CCCN(C)C 269982a_100000225837_200025704644 [0,0,0,0,0,0|3,0,1]=4 121 B9R0.1 CC[C@H](C)CNCC(C)C 2230a_100000210953_100009816398 [0,0,0,0,0,0|2,0,2]=4 122 B9R0.1 CC[C@H](C)CNCC(C)C 34a_100000210953_100009816398 [0,0,0,0,0,0|2,0,2]=4 123 B9R0.1 CC[C@H](C)COCC(=O)C 34a_100000211253_100009816398 [0,0,0,0,0,0|3,0,1]=4 124 B9R0.1 CC[C@H](C)COCC(C)C 34a_100000210257_100009816398 [0,0,0,0,0,0|2,0,2]=4 125 B9R0.1 CC[C@H](C)COCC(C)C 7a_100009816381_100000210760 [0,0,0,0,0,0|2,0,2]=4 126 B9R0.1 CC[C@H](C)CSCC(C)C 62a_100000210624_100009816398 [0,0,0,0,0,0|2,0,2]=4 127 B9R0.1 CC[C@H](C)CSCC(C)C 62a_100009816398_100000210760 [0,0,0,0,0,0|2,0,2]=4 128 B9R0.1 CNC(=O)C/C=C/C(C)C 11a_106832991635_100016292215 [0,0,0,0,0,0|1,0,3]=4 129 B9R0.1 CNC(=O)C/C=C/C(C)C 1626a_100102657272_100016292215 [0,0,0,0,0,0|1,0,3]=4 130 B9R0.1 CNC(=O)C/C=C/C(C)C 240690a_100102657272_100016292215 [0,0,0,0,0,0|1,0,3]=4 131 B9R0.1 CNC(=O)CCCC(=O)C 1458a_100000070787_100000741757 [0,0,0,0,0,0|2,0,2]=4 132 B9R0.1 CNC(=O)CCCC(C)C 11a_106832991635_100011216857 [0,0,0,0,0,0|1,0,3]=4 133 B9R0.1 CNC(=O)CCCC(C)C 1626a_100102657272_100011216857 [0,0,0,0,0,0|1,0,3]=4 134 B9R0.1 CNC(=O)CCCC(C)C 240690a_100102657272_100011216857 [0,0,0,0,0,0|1,0,3]=4 135 B9R0.1 CNC(=O)CCCC(C)C 527a_100102657272_100011216857 [0,0,0,0,0,0|1,0,3]=4 136 B9R0.1 CNC(=O)CCCN(C)C 11a_106832991635_100000740757 [0,0,0,0,0,0|2,0,2]=4 137 B9R0.1 CNC(=O)CCCN(C)C 2230a_100102631434_100000741757 [0,0,0,0,0,0|2,0,2]=4 138 B9R0.1 CNC(=O)CCCN(C)C 240690a_100102657272_100000740757 [0,0,0,0,0,0|2,0,2]=4 139 B9R0.1 CNC(=O)CCCN(C)C 269982a_100102631434_100000741757 [0,0,0,0,0,0|2,0,2]=4 140 B9R0.1 CNC(=O)CCNC(=O)C 11a_100000738227_100015343762 [0,0,0,0,0,0|3,0,1]=4 141 B9R0.1 CNC(=O)CCNC(=O)C 11a_106832991635_100000183196 [0,0,0,0,0,0|3,0,1]=4 142 B9R0.1 CNC(=O)CCNC(=O)C 1626a_100102657272_100000183196 [0,0,0,0,0,0|3,0,1]=4 143 B9R0.1 CNC(=O)CCNC(=O)C 240690a_100000738227_100015343762 [0,0,0,0,0,0|3,0,1]=4 144 B9R0.1 CNC(=O)CCNC(=O)C 240690a_100102657272_100000183196 [0,0,0,0,0,0|3,0,1]=4 145 B9R0.1 CNC(=O)CCNC(=O)C 527a_100000738227_100103153847 [0,0,0,0,0,0|3,0,1]=4 146 B9R0.1 CNC(=O)CCNC(=O)C 527a_100102657272_100000183196 [0,0,0,0,0,0|3,0,1]=4 147 B9R0.1 CNC(=O)CCNC(C)C 2230a_100000738227_100000210206 [0,0,0,0,0,0|2,0,2]=4 148 B9R0.1 CNC(=O)CCNC(C)C 2230a_100138425928_100000737683 [0,0,0,0,0,0|2,0,2]=4 149 B9R0.1 CNC(=O)CCNC(C)C 34a_100000738227_100000210206 [0,0,0,0,0,0|2,0,2]=4 150 B9R0.1 CNC(=O)CCNC(C)C 34a_100138425928_100012179268 [0,0,0,0,0,0|2,0,2]=4 151 B9R0.1 CNC(=O)CCOC(C)C 34a_100000212225_100012179268 [0,0,0,0,0,0|2,0,2]=4 152 B9R0.1 CNC(=O)CCOC(C)C 34a_100000754576_100000210206 [0,0,0,0,0,0|2,0,2]=4 153 B9R0.1 CNC(=O)CCSC(=O)C 1626a_100102657272_100000048949 [0,0,0,0,0,0|3,0,1]=4 154 B9R0.1 CNC(=O)CCSC(=O)C 240690a_100102657272_100000048949 [0,0,0,0,0,0|3,0,1]=4 155 B9R0.1 CNC(=O)CCSC(C)C 62a_100000210206_100000737683 [0,0,0,0,0,0|2,0,2]=4 156 B9R0.1 CNC(=O)CCSC(C)C 62a_100000737683_100000210206 [0,0,0,0,0,0|2,0,2]=4 157 B9R0.1 CNC(=O)NCC=C(C)C 2708a_100000718196_106832991635 [0,0,0,0,0,0|2,0,1]=3 158 B9R0.1 CNC(=O)NCC=C(C)C 2708a_100102657272_100000718196 [0,0,0,0,0,0|2,0,1]=3 159 B9R0.1 CNC(=O)NCC=C(C)C 273464a_100000718196_100102657272 [0,0,0,0,0,0|2,0,1]=3 160 B9R0.1 CNC(=O)NCC=C(C)C 273464a_100102657272_100000718196 [0,0,0,0,0,0|2,0,1]=3 161 B9R0.1 CNC(=O)NCC=C(C)C 512a_100000718196_100102657272 [0,0,0,0,0,0|2,0,1]=3 162 B9R0.1 CNC(=O)NCC=C(C)C 512a_106832991638_100000718196 [0,0,0,0,0,0|2,0,1]=3 163 B9R0.1 CNC(C)CCC=C(C)C 270004a_106832991635_100000765506 [0,0,0,0,0,0|0,0,0]=0 164 B9R0.1 CNC(C)CCCC(C)C 2230a_100000210607_200000210301 [0,0,0,0,0,0|0,0,2]=2 165 B9R0.1 CNC(C)CCCC(C)C 270004a_106832991635_100000753411 [0,0,0,0,0,0|0,0,2]=2 166 B9R0.1 CNC(C)CCOC(C)C 270004a_106832991635_200011219172 [0,0,0,0,0,0|1,0,1]=2 167 B9R0.1 COC(C)CCC=C(C)C 34a_100102619829_200000210301 [0,0,0,0,0,0|1,0,0]=1 168 B9R0.1 COC(C)CCC=C(C)C 7a_100102619829_200000210301 [0,0,0,0,0,0|1,0,0]=1 169 B9R0.1 COC(C)CCCC(=O)[O-] 7a_100000761597_200000210301 [0,0,0,0,0,0|3,0,1]=4 170 B9R0.1 COC(C)CCCC(C)C 34a_200011218570_200000210301 [0,0,0,0,0,0|1,0,2]=3 171 B9R0.1 COC(C)CCCC(C)C 7a_200011218570_200000210301 [0,0,0,0,0,0|1,0,2]=3 172 B9R0.1 COC(C)CCOC(C)C 7a_100000764861_100000210206 [0,0,0,0,0,0|2,0,1]=3 173 B9R0.1 COC(C)COCC(C)C 34a_100000690652_100000210624 [0,0,0,0,0,0|2,0,2]=4 174 B9R0.1 COC(C)SCC=C(C)C 62a_100000761012_100009879195 [0,0,0,0,0,0|2,0,0]=2 175 B9R0.1 COC(C)SCC=C(C)C 62a_100009879195_100000761012 [0,0,0,0,0,0|2,0,0]=2 176 B9R0.1 COC(C)SCCC(=O)C 62a_100000053229_100009879195 [0,0,0,0,0,0|3,0,1]=4 177 B9R0.1 COC(C)SCCC(=O)C 62a_100009879195_100000053229 [0,0,0,0,0,0|3,0,1]=4 178 B9R0.1 COC(C)SCCC(C)C 62a_100000210312_100009879195 [0,0,0,0,0,0|2,0,2]=4 179 B9R0.1 COC(C)SCCC(C)C 62a_100009879195_100000210312 [0,0,0,0,0,0|2,0,2]=4 180 B9R0.1 COC(C)SCCN(C)C 62a_100009879195_100000755713 [0,0,0,0,0,0|3,0,1]=4 181 B9R0.1 COC(C)SCOC(=O)C 62a_100000076356_100009879195 [0,0,0,0,0,0|4,0,0]=4 182 B9R0.1 COC(C)SCOC(=O)C 62a_100009879195_100000076356 [0,0,0,0,0,0|4,0,0]=4 183 B9R0.1 COC(C)SCOC(C)C 62a_100000709892_100009879195 [0,0,0,0,0,0|3,0,1]=4 184 B9R0.1 COC(C)SCOC(C)C 62a_100009879195_100000709892 [0,0,0,0,0,0|3,0,1]=4 185 B9R0.1 CO[C@H](C)CNCC(C)C 2230a_100020591295_100000210760 [0,0,0,0,0,0|2,0,2]=4 186 B9R0.1 CO[C@H](C)CNCC(C)C 270004a_100020591295_100000210432 [0,0,0,0,0,0|2,0,2]=4 187 B8R0.6 C#CC(C)NC/C=C/C 34a_100000707721_100102629194 [1,0,0,0,0,0|2,0,1]=4 188 B8R0.6 C#CC(C)NCC=CC 2230a_100000707721_100000070051 [1,0,0,0,0,0|2,0,1]=4 189 B8R0.6 C#CC(C)NCC=CC 34a_100000707721_100000070051 [1,0,0,0,0,0|2,0,1]=4 190 B8R0.6 C#CC(C)OC/C=C/C 34a_100016270725_200000035995 [1,0,0,0,0,0|2,0,1]=4 191 B8R0.6 C#CC(C)SC/C=C/C 62a_200000035995_100102629194 [1,0,0,0,0,0|2,0,1]=4 192 B8R0.6 C#CC(C)SCC=CC 62a_200000035995_100000070051 [1,0,0,0,0,0|2,0,1]=4 193 B8R0.6 C#C[C@@H](C)OC/C=C/C 34a_100009815206_100102629194 [1,0,0,0,0,0|2,0,1]=4 194 B8R0.6 C#C[C@@H](C)OC/C=C/C 7a_100009815206_100102629194 [1,0,0,0,0,0|2,0,1]=4 195 B8R0.6 C#C[C@@H](C)OCC=CC 34a_100009815206_100000070051 [1,0,0,0,0,0|2,0,1]=4 196 B8R0.6 C#C[C@@H](C)OCC=CC 7a_100009815206_100000070051 [1,0,0,0,0,0|2,0,1]=4 197 B8R0.6 C/C=C/COC(C)C#N 34a_100011218135_100102629194 [1,0,0,0,0,0|3,0,0]=4 198 B8R0.6 C/C=C/COC(C)CC 34a_100016270725_100011215416 [1,0,0,0,0,0|2,0,0]=3 199 B8R0.6 C/C=C/COC(C)CC 7a_100000210228_100102629194 [1,0,0,0,0,0|2,0,0]=3 200 B8R0.6 C/C=C/COC(C)CF 34a_100016041109_100102629194 [1,0,0,0,0,0|3,0,0]=4 201 B8R0.6 C/C=C/COC(C)CF 7a_100016041109_100102629194 [1,0,0,0,0,0|3,0,0]=4 202 B8R0.6 C/C=C/COC(C)CN 34a_100000210904_100102629194 [1,0,0,0,0,0|3,0,0]=4 203 B8R0.6 C/C=C/COC(C)CO 34a_100016270725_100012180447 [1,0,0,0,0,0|3,0,0]=4 204 B8R0.6 C/C=C/CSC(C)C#N 62a_100000703298_100102629194 [1,0,0,0,0,0|3,0,0]=4 205 B8R0.6 C/C=C/CSC(C)C#N 62a_100102629194_100000703298 [1,0,0,0,0,0|3,0,0]=4 206 B8R0.6 C/C=C/CSC(C)CC 62a_100000758301_100102629194 [1,0,0,0,0,0|2,0,0]=3 207 B8R0.6 C/C=C/CSC(C)CC 62a_100102629194_100000758301 [1,0,0,0,0,0|2,0,0]=3 208 B8R0.6 C/C=C/CSC(C)CO 62a_100012180447_100102629194 [1,0,0,0,0,0|3,0,0]=4 209 B8R0.6 C/C=C/CSC(C)OC 62a_100009879195_100102629194 [1,0,0,0,0,0|2,0,0]=3 210 B8R0.6 C/C=C/CSC(C)OC 62a_100102629194_100009879195 [1,0,0,0,0,0|2,0,0]=3 211 B8R0.6 C/C=C/CS[C@H](C)CO 62a_100016084084_100102629194 [1,0,0,0,0,0|3,0,0]=4 212 B8R0.6 C/C=C/CS[C@H](C)CO 62a_100102629194_100016084084 [1,0,0,0,0,0|3,0,0]=4 213 B8R0.6 C=CC(C)OC/C=C/C 34a_100000695699_100102629194 [1,0,0,0,0,0|2,0,1]=4 214 B8R0.6 C=CC(C)OCC=CC 34a_100000695699_100000070051 [1,0,0,0,0,0|2,0,1]=4 215 B8R0.6 C=CC(C)SC/C=C/C 62a_100011215867_100102629194 [1,0,0,0,0,0|2,0,1]=4 216 B8R0.6 C=CC(C)SCC=CC 62a_100011215867_100000070051 [1,0,0,0,0,0|2,0,1]=4 217 B8R0.6 CC=CCNC(C)C#N 2230a_100000737613_100000070051 [1,0,0,0,0,0|3,0,0]=4 218 B8R0.6 CC=CCNC(C)CC 2230a_100000209981_100000070051 [1,0,0,0,0,0|2,0,0]=3 219 B8R0.6 CC=CCN[C@H](C)CO 2230a_100000737577_100000070051 [1,0,0,0,0,0|3,0,0]=4 220 B8R0.6 CC=CCOC(C)C#N 34a_100011218135_100000070051 [1,0,0,0,0,0|3,0,0]=4 221 B8R0.6 CC=CCOC(C)CC 7a_100000210228_100000070051 [1,0,0,0,0,0|2,0,0]=3 222 B8R0.6 CC=CCOC(C)CF 34a_100016041109_100000070051 [1,0,0,0,0,0|3,0,0]=4 223 B8R0.6 CC=CCOC(C)CF 7a_100016041109_100000070051 [1,0,0,0,0,0|3,0,0]=4 224 B8R0.6 CC=CCOC(C)CN 34a_100000210904_100000070051 [1,0,0,0,0,0|3,0,0]=4 225 B8R0.6 CC=CCSC(C)C#N 62a_100000070051_100000703298 [1,0,0,0,0,0|3,0,0]=4 226 B8R0.6 CC=CCSC(C)C#N 62a_100000703298_100000070051 [1,0,0,0,0,0|3,0,0]=4 227 B8R0.6 CC=CCSC(C)CC 62a_100000070051_100000758301 [1,0,0,0,0,0|2,0,0]=3 228 B8R0.6 CC=CCSC(C)CC 62a_100000758301_100000070051 [1,0,0,0,0,0|2,0,0]=3 229 B8R0.6 CC=CCSC(C)CO 62a_100012180447_100000070051 [1,0,0,0,0,0|3,0,0]=4 230 B8R0.6 CC=CCSC(C)OC 62a_100000070051_100009879195 [1,0,0,0,0,0|2,0,0]=3 231 B8R0.6 CC=CCSC(C)OC 62a_100009879195_100000070051 [1,0,0,0,0,0|2,0,0]=3 232 B8R0.6 CC=CCS[C@H](C)CO 62a_100000070051_100016084084 [1,0,0,0,0,0|3,0,0]=4 233 B8R0.6 CC=CCS[C@H](C)CO 62a_100016084084_100000070051 [1,0,0,0,0,0|3,0,0]=4 234 B8R0.6 CCC(C)CCCOC 7a_100011216074_200000210301 [1,0,0,0,0,0|2,0,1]=4 235 B8R0.6 CCC(C)CCCO[13CH3] 7a_100011216074_200025704644 [1,0,0,0,0,0|2,0,1]=4 236 B8R0.6 CCCCCC(C)NC 2230a_100000211957_200000210301 [1,0,0,0,0,0|0,0,2]=3 237 B8R0.6 CCCCCC(C)NC 2230a_106832991635_200011218191 [1,0,0,0,0,0|0,0,2]=3 238 B8R0.6 CCCCCC(C)NC 270004a_106832991635_100000211708 [1,0,0,0,0,0|0,0,2]=3 239 B8R0.6 CCCCCC(C)NC 34a_100102657272_200011218191 [1,0,0,0,0,0|0,0,2]=3 240 B8R0.6 CCCCCC(C)NC 7a_106832991635_200011218191 [1,0,0,0,0,0|0,0,2]=3 241 B8R0.6 CCCCCC(C)N[13CH3] 2230a_100000211957_200025704644 [1,0,0,0,0,0|0,0,2]=3 242 B8R0.6 CCCCCC(C)OC 34a_100011215632_200000210301 [1,0,0,0,0,0|1,0,2]=4 243 B8R0.6 CCCCCC(C)OC 34a_100138415774_200011218191 [1,0,0,0,0,0|1,0,2]=4 244 B8R0.6 CCCCCC(C)OC 7a_100011215632_200000210301 [1,0,0,0,0,0|1,0,2]=4 245 B8R0.6 CCCCCC(C)O[13CH3] 34a_100011215632_200025704644 [1,0,0,0,0,0|1,0,2]=4 246 B8R0.6 CCCCCC(C)O[13CH3] 7a_100011215632_200025704644 [1,0,0,0,0,0|1,0,2]=4 247 B8R0.6 CCCCCC(C)SC 62a_200000210301_200011218191 [1,0,0,0,0,0|1,0,2]=4 248 B8R0.6 CCCCCC(C)SC 62a_200011218191_200000210301 [1,0,0,0,0,0|1,0,2]=4 249 B8R0.6 CCCCCC(C)S[13CH3] 62a_200011218191_200025704644 [1,0,0,0,0,0|1,0,2]=4 250 B8R0.6 CCCCCC(C)S[13CH3] 62a_200025704644_200011218191 [1,0,0,0,0,0|1,0,2]=4 251 B8R0.6 CCCSCC(C)NC 270004a_106832991635_100011343953 [1,0,0,0,0,0|1,0,2]=4 252 B8R0.6 CCNCCC(C)CC 2230a_100020591266_100000210202 [1,0,0,0,0,0|2,0,1]=4 253 B8R0.6 CCOCCC(C)CC 7a_100011215188_100000210202 [1,0,0,0,0,0|2,0,1]=4 254 B8R0.6 CCOCCC(C)NC 270004a_106832991635_200011216536 [1,0,0,0,0,0|1,0,1]=3 255 B8R0.6 CCOCCC(C)OC 7a_100000764861_100000210202 [1,0,0,0,0,0|2,0,1]=4 256 B8R0.6 CNC(C)CCCC#N 270004a_106832991635_200000032708 [1,0,0,0,0,0|1,0,2]=4 257 B8R0.6 CNC(C)CCCSC 270004a_106832991635_100011399439 [1,0,0,0,0,0|1,0,1]=3 258 B8R0.6 COCCCC(C)OC 34a_200011539412_200000210301 [1,0,0,0,0,0|2,0,1]=4 259 B8R0.6 COCCCC(C)OC 7a_200011539412_200000210301 [1,0,0,0,0,0|2,0,1]=4 260 B8R0.6 COCCCC(C)O[13CH3] 34a_200011539412_200025704644 [1,0,0,0,0,0|2,0,1]=4 261 B8R0.6 COCCCC(C)O[13CH3] 7a_200011539412_200025704644 [1,0,0,0,0,0|2,0,1]=4 262 B8R0.7 C#CCNCC=C(C)C 34a_100000212058_100000761012 [1,0,0,0,0,0|2,0,1]=4 263 B8R0.7 C#CCNCC=C(C)C 34a_100000718196_100000184674 [1,0,0,0,0,0|2,0,1]=4 264 B8R0.7 C#CCOCC=C(C)C 34a_100000210247_100000761012 [1,0,0,0,0,0|2,0,1]=4 265 B8R0.7 C#CCOCC=C(C)C 34a_100000753907_100000184674 [1,0,0,0,0,0|2,0,1]=4 266 B8R0.7 C#CCSCC=C(C)C 62a_100000038162_100000761012 [1,0,0,0,0,0|2,0,1]=4 267 B8R0.7 C=CCNCC=C(C)C 2230a_100020586998_100000761012 [1,0,0,0,0,0|2,0,1]=4 268 B8R0.7 C=CCNCC=C(C)C 34a_100000718196_100015514636 [1,0,0,0,0,0|2,0,1]=4 269 B8R0.7 C=CCOCC=C(C)C 34a_100000753907_100015514636 [1,0,0,0,0,0|2,0,1]=4 270 B8R0.7 C=CCOCC=C(C)C 34a_200000210373_100000761012 [1,0,0,0,0,0|2,0,1]=4 271 B8R0.7 C=CCSCC=C(C)C 62a_100000210623_100000761012 [1,0,0,0,0,0|2,0,1]=4 272 B8R0.7 C=CCSCC=C(C)C 62a_100000761012_100000210623 [1,0,0,0,0,0|2,0,1]=4 273 B8R0.7 CC(=CCCSCF)C 62a_100011217483_100015361967 [1,0,0,0,0,0|3,0,0]=4 274 B8R0.7 CC(=CCCSCF)C 62a_100015361967_100011217483 [1,0,0,0,0,0|3,0,0]=4 275 B8R0.7 CC(=CCNCC=O)C 34a_100000718196_200009817547 [1,0,0,0,0,0|3,0,0]=4 276 B8R0.7 CC(=CCNCCF)C 34a_100000718196_100011217306 [1,0,0,0,0,0|3,0,0]=4 277 B8R0.7 CC(=CCNCCF)C 34a_100000724931_100000761012 [1,0,0,0,0,0|3,0,0]=4 278 B8R0.7 CC(=CCNCCO)C 2230a_100016997473_100000761012 [1,0,0,0,0,0|3,0,0]=4 279 B8R0.7 CC(=CCNCCO)C 34a_100000718196_100000211926 [1,0,0,0,0,0|3,0,0]=4 280 B8R0.7 CC(=CCNCCO)C 34a_100016990907_100000761012 [1,0,0,0,0,0|3,0,0]=4 281 B8R0.7 CC(=CCOCC=O)C 34a_100000753907_200009817547 [1,0,0,0,0,0|3,0,0]=4 282 B8R0.7 CC(=CCOCCBr)C 34a_100000211926_100000761012 [1,0,0,0,0,0|3,0,0]=4 283 B8R0.7 CC(=CCOCCF)C 34a_100000753907_100011217306 [1,0,0,0,0,0|3,0,0]=4 284 B8R0.7 CC(=CCOCCN)C 34a_100000210304_100000761012 [1,0,0,0,0,0|3,0,0]=4 285 B8R0.7 CC(=CCOCCO)C 34a_100000753907_100000211926 [1,0,0,0,0,0|3,0,0]=4 286 B8R0.7 CC(=CCSCC#N)C 62a_100000761012_100011215382 [1,0,0,0,0,0|3,0,0]=4 287 B8R0.7 CC(=CCSCC#N)C 62a_100011215382_100000761012 [1,0,0,0,0,0|3,0,0]=4 288 B8R0.7 CC(=CCSCC=O)C 62a_100000761012_200015260668 [1,0,0,0,0,0|3,0,0]=4 289 B8R0.7 CC(=CCSCC=O)C 62a_200015260668_100000761012 [1,0,0,0,0,0|3,0,0]=4 290 B8R0.7 CC(=CCSCCF)C 62a_100000761012_100011217306 [1,0,0,0,0,0|3,0,0]=4 291 B8R0.7 CC(=CCSCCF)C 62a_100011217306_100000761012 [1,0,0,0,0,0|3,0,0]=4 292 B8R0.7 CC(=CCSCCO)C 62a_100000211926_100000761012 [1,0,0,0,0,0|3,0,0]=4 293 B8R0.7 CC(=CCSCCO)C 62a_100000761012_100000211926 [1,0,0,0,0,0|3,0,0]=4 294 B8R0.7 CC(=O)CCCCS[13CH3] 62a_100000735457_200025704644 [1,0,0,0,0,0|2,0,1]=4 295 B8R0.7 CC(=O)CCCCS[13CH3] 62a_200025704644_100000735457 [1,0,0,0,0,0|2,0,1]=4 296 B8R0.7 CC(=O)NCCCN[13CH3] 34a_100000736810_200025704644 [1,0,0,0,0,0|2,0,0]=3 297 B8R0.7 CC(=O)NCCCO[13CH3] 34a_100000752032_200025704644 [1,0,0,0,0,0|3,0,0]=4 298 B8R0.7 CC(=O)OCCCS[13CH3] 62a_100000042594_200025704644 [1,0,0,0,0,0|3,0,0]=4 299 B8R0.7 CC(=O)OCCCS[13CH3] 62a_200025704644_100000042594 [1,0,0,0,0,0|3,0,0]=4 300 B8R0.7 CC(=O)SCCCS[13CH3] 62a_100000038929_200025704644 [1,0,0,0,0,0|3,0,0]=4 301 B8R0.7 CC(=O)SCCCS[13CH3] 62a_200025704644_100000038929 [1,0,0,0,0,0|3,0,0]=4 302 B8R0.7 CC(=S)OCCCS[13CH3] 62a_200025704644_200135323944 [1,0,0,0,0,0|3,0,0]=4 303 B8R0.7 CC(=S)OCCCS[13CH3] 62a_200135323944_200025704644 [1,0,0,0,0,0|3,0,0]=4 304 B8R0.7 CC(C)CCCCO[13CH3] 34a_100011214890_200025704644 [1,0,0,0,0,0|1,0,2]=4 305 B8R0.7 CC(C)CCCCO[13CH3] 7a_100011214890_200025704644 [1,0,0,0,0,0|1,0,2]=4 306 B8R0.7 CC(C)CCCCS[13CH3] 62a_100011216152_200025704644 [1,0,0,0,0,0|1,0,2]=4 307 B8R0.7 CC(C)CCCCS[13CH3] 62a_200025704644_100011216152 [1,0,0,0,0,0|1,0,2]=4 308 B8R0.7 CC(C)NCCCO[13CH3] 34a_100000182298_200025704644 [1,0,0,0,0,0|2,0,1]=4 309 B8R0.7 CC(C)OCCCN[13CH3] 2230a_100000737246_200025704644 [1,0,0,0,0,0|1,0,1]=3 310 B8R0.7 CC(C)OCCCN[13CH3] 34a_100000737246_200025704644 [1,0,0,0,0,0|1,0,1]=3 311 B8R0.7 CCCCC=CC(=O)C 1458a_100016266645_200000210301 [1,0,0,0,0,0|2,0,1]=4 312 B8R0.7 CCCCC=CC(=O)[13CH3] 1458a_100016266645_200025704644 [1,0,0,0,0,0|2,0,1]=4 313 B8R0.7 CCCCCCC(=O)C 1458a_100000070787_100000210757 [1,0,0,0,0,0|2,0,1]=4 314 B8R0.7 CCCCCCC(=O)C 1458a_100102632555_200000210301 [1,0,0,0,0,0|2,0,1]=4 315 B8R0.7 CCCCCCC(=O)[13CH3] 1458a_100102632555_200025704644 [1,0,0,0,0,0|2,0,1]=4 316 B8R0.7 CCCCCCN(C)C 2230a_100102631434_100000210314 [1,0,0,0,0,0|2,0,1]=4 317 B8R0.7 CCCCCCN(C)C 2230a_106256046315_200000210301 [1,0,0,0,0,0|2,0,1]=4 318 B8R0.7 CCCCCCN(C)C 269982a_100102631434_100000210757 [1,0,0,0,0,0|2,0,1]=4 319 B8R0.7 CCCCCCN(C)C 269982a_106256046315_200000210301 [1,0,0,0,0,0|2,0,1]=4 320 B8R0.7 CCCCCCN(C)[13CH3] 2230a_106256046315_200025704644 [1,0,0,0,0,0|2,0,1]=4 321 B8R0.7 CCCCCCN(C)[13CH3] 269982a_106256046315_200025704644 [1,0,0,0,0,0|2,0,1]=4 322 B8R0.7 CCCCCNC(=O)C 11a_100000209983_100015343762 [1,0,0,0,0,0|3,0,0]=4 323 B8R0.7 CCCCCNC(=O)C 1626a_100000209983_100015343762 [1,0,0,0,0,0|3,0,0]=4 324 B8R0.7 CCCCCNC(=O)C 240690a_100000209983_100015343762 [1,0,0,0,0,0|3,0,0]=4 325 B8R0.7 CCCCCNC(=O)C 527a_100000209983_100103153847 [1,0,0,0,0,0|3,0,0]=4 326 B8R0.7 CCCCCNC(C)C 2230a_100000209983_100000210206 [1,0,0,0,0,0|2,0,1]=4 327 B8R0.7 CCCCCNC(C)C 2230a_100138425928_100000210326 [1,0,0,0,0,0|2,0,1]=4 328 B8R0.7 CCCCCNC(C)C 34a_100138425928_100000718602 [1,0,0,0,0,0|2,0,1]=4 329 B8R0.7 CCCCCOC(C)C 34a_100000210253_100000210206 [1,0,0,0,0,0|2,0,1]=4 330 B8R0.7 CCCCCOC(C)C 34a_100000212225_100000718602 [1,0,0,0,0,0|2,0,1]=4 331 B8R0.7 CCCCCOC(C)C 7a_100000210253_100000210206 [1,0,0,0,0,0|2,0,1]=4 332 B8R0.7 CCCCCSC(C)C 62a_100000210206_100000210326 [1,0,0,0,0,0|2,0,1]=4 333 B8R0.7 CCCCCSC(C)C 62a_100000210326_100000210206 [1,0,0,0,0,0|2,0,1]=4 334 B8R0.7 CCCNCC=C(C)C 34a_100000718196_100000210303 [1,0,0,0,0,0|2,0,0]=3 335 B8R0.7 CCCOCC=C(C)C 34a_100000210258_100000761012 [1,0,0,0,0,0|2,0,0]=3 336 B8R0.7 CCCOCC=C(C)C 34a_100000753907_100000210303 [1,0,0,0,0,0|2,0,0]=3 337 B8R0.7 CCCSCC=C(C)C 62a_100000210303_100000761012 [1,0,0,0,0,0|2,0,0]=3 338 B8R0.7 CCCSCC=C(C)C 62a_100000761012_100000210303 [1,0,0,0,0,0|2,0,0]=3 339 B8R0.7 CCNCCC=C(C)C 2230a_100015525214_100011217483 [1,0,0,0,0,0|2,0,0]=3 340 B8R0.7 CCOCCC=C(C)C 34a_100121572206_100011217483 [1,0,0,0,0,0|2,0,0]=3 341 B8R0.7 CCSCCC=C(C)C 62a_100000210202_100011217483 [1,0,0,0,0,0|2,0,0]=3 342 B8R0.7 CCSCCC=C(C)C 62a_100011217483_100000210202 [1,0,0,0,0,0|2,0,0]=3 343 B8R0.7 CN(C)CCCCS[13CH3] 62a_200025704644_100000690147 [1,0,0,0,0,0|2,0,1]=4 344 B8R0.7 CNCCCCC(=O)C 34a_100102657272_100009817362 [1,0,0,0,0,0|1,0,1]=3 345 B8R0.7 CNCCCCC(=O)C 7a_106832991635_100000735457 [1,0,0,0,0,0|1,0,1]=3 346 B8R0.7 CNCCCCC(=O)N 34a_100000696515_200000210301 [1,0,0,0,0,0|2,0,1]=4 347 B8R0.7 CNCCCCC(C)C 2230a_106832991635_100011216152 [1,0,0,0,0,0|0,0,2]=3 348 B8R0.7 CNCCCCC(C)C 34a_100102657272_100011216152 [1,0,0,0,0,0|0,0,2]=3 349 B8R0.7 CNCCCCC(C)C 7a_106832991635_100011216152 [1,0,0,0,0,0|0,0,2]=3 350 B8R0.7 CNCCCNC(=O)C 34a_100000736810_200000210301 [1,0,0,0,0,0|2,0,0]=3 351 B8R0.7 CNCCCOC(=O)C 34a_100102657272_100000042594 [1,0,0,0,0,0|2,0,0]=3 352 B8R0.7 CNCCCOC(=O)C 7a_106832991635_100000042594 [1,0,0,0,0,0|2,0,0]=3 353 B8R0.7 CNCCCOC(=S)C 2230a_106832991635_200135323944 [1,0,0,0,0,0|2,0,0]=3 354 B8R0.7 CNCCCOC(=S)C 34a_100102657272_200135323944 [1,0,0,0,0,0|2,0,0]=3 355 B8R0.7 CNCCCOC(=S)C 7a_106832991635_200135323944 [1,0,0,0,0,0|2,0,0]=3 356 B8R0.7 CNCCCOC(C)C 2230a_100000737246_200000210301 [1,0,0,0,0,0|1,0,1]=3 357 B8R0.7 CNCCCOC(C)C 34a_100000213112_100000210206 [1,0,0,0,0,0|1,0,1]=3 358 B8R0.7 CNCCCOC(C)C 34a_100000737246_200000210301 [1,0,0,0,0,0|1,0,1]=3 359 B8R0.7 CNCCCSC(=O)C 2230a_106832991635_100000038929 [1,0,0,0,0,0|2,0,0]=3 360 B8R0.7 CNCCCSC(=O)C 34a_100102657272_100000038929 [1,0,0,0,0,0|2,0,0]=3 361 B8R0.7 CNCCCSC(=O)C 7a_106832991635_100000038929 [1,0,0,0,0,0|2,0,0]=3 362 B8R0.7 COCCCCC(=O)C 1458a_100000070787_100000755781 [1,0,0,0,0,0|2,0,1]=4 363 B8R0.7 COCCCCC(=O)C 34a_100138415774_100009817362 [1,0,0,0,0,0|2,0,1]=4 364 B8R0.7 COCCCCC(C)C 34a_100011214890_200000210301 [1,0,0,0,0,0|1,0,2]=4 365 B8R0.7 COCCCCC(C)C 34a_100138415774_100011216152 [1,0,0,0,0,0|1,0,2]=4 366 B8R0.7 COCCCCC(C)C 7a_100011214890_200000210301 [1,0,0,0,0,0|1,0,2]=4 367 B8R0.7 COCCCCN(C)C 2230a_100102631434_100000730899 [1,0,0,0,0,0|2,0,1]=4 368 B8R0.7 COCCCCN(C)C 269982a_100102631434_100000730899 [1,0,0,0,0,0|2,0,1]=4 369 B8R0.7 COCCCNC(=O)C 1626a_100150723488_100015343762 [1,0,0,0,0,0|3,0,0]=4 370 B8R0.7 COCCCNC(=O)C 240690a_100150723488_100015343762 [1,0,0,0,0,0|3,0,0]=4 371 B8R0.7 COCCCNC(=O)C 34a_100000752032_200000210301 [1,0,0,0,0,0|3,0,0]=4 372 B8R0.7 COCCCNC(=O)C 527a_100150723488_100103153847 [1,0,0,0,0,0|3,0,0]=4 373 B8R0.7 COCCCNC(C)C 2230a_100138425928_100000740836 [1,0,0,0,0,0|2,0,1]=4 374 B8R0.7 COCCCNC(C)C 34a_100000182298_200000210301 [1,0,0,0,0,0|2,0,1]=4 375 B8R0.7 COCCCNC(C)C 34a_100138425928_100000740836 [1,0,0,0,0,0|2,0,1]=4 376 B8R0.7 COCCCNC(C)C 34a_100150723488_100000210206 [1,0,0,0,0,0|2,0,1]=4 377 B8R0.7 COCCCOC(=O)C 34a_100138415774_100000042594 [1,0,0,0,0,0|3,0,0]=4 378 B8R0.7 COCCCOC(=S)C 34a_100138415774_200135323944 [1,0,0,0,0,0|3,0,0]=4 379 B8R0.7 COCCCOC(C)C 34a_100000212225_100000740836 [1,0,0,0,0,0|2,0,1]=4 380 B8R0.7 COCCCOC(C)C 34a_100000740835_100000210206 [1,0,0,0,0,0|2,0,1]=4 381 B8R0.7 COCCCSC(=O)C 34a_100138415774_100000038929 [1,0,0,0,0,0|3,0,0]=4 382 B8R0.7 COCCCSC(C)C 62a_100000210206_100000709357 [1,0,0,0,0,0|2,0,1]=4 383 B8R0.7 COCCCSC(C)C 62a_100000709357_100000210206 [1,0,0,0,0,0|2,0,1]=4 384 B8R0.7 COCSCC=C(C)C 62a_100000761012_100000766300 [1,0,0,0,0,0|2,0,0]=3 385 B8R0.7 COCSCC=C(C)C 62a_100000766300_100000761012 [1,0,0,0,0,0|2,0,0]=3 386 B8R0.7 CSCCCCC(=O)C 62a_100000735457_200000210301 [1,0,0,0,0,0|2,0,1]=4 387 B8R0.7 CSCCCCC(=O)C 62a_200000210301_100000735457 [1,0,0,0,0,0|2,0,1]=4 388 B8R0.7 CSCCCCC(C)C 62a_100011216152_200000210301 [1,0,0,0,0,0|1,0,2]=4 389 B8R0.7 CSCCCCC(C)C 62a_200000210301_100011216152 [1,0,0,0,0,0|1,0,2]=4 390 B8R0.7 CSCCCCN(C)C 62a_200000210301_100000690147 [1,0,0,0,0,0|2,0,1]=4 391 B8R0.7 CSCCCNC(=O)C 11a_100000749238_100015343762 [1,0,0,0,0,0|3,0,0]=4 392 B8R0.7 CSCCCNC(=O)C 1626a_100000749238_100015343762 [1,0,0,0,0,0|3,0,0]=4 393 B8R0.7 CSCCCNC(=O)C 240690a_100000749238_100015343762 [1,0,0,0,0,0|3,0,0]=4 394 B8R0.7 CSCCCNC(=O)C 527a_100000749238_100103153847 [1,0,0,0,0,0|3,0,0]=4 395 B8R0.7 CSCCCNC(C)C 2230a_100000749238_100000210206 [1,0,0,0,0,0|2,0,1]=4 396 B8R0.7 CSCCCOC(=O)C 62a_100000042594_200000210301 [1,0,0,0,0,0|3,0,0]=4 397 B8R0.7 CSCCCOC(=O)C 62a_200000210301_100000042594 [1,0,0,0,0,0|3,0,0]=4 398 B8R0.7 CSCCCOC(=S)C 62a_200000210301_200135323944 [1,0,0,0,0,0|3,0,0]=4 399 B8R0.7 CSCCCOC(=S)C 62a_200135323944_200000210301 [1,0,0,0,0,0|3,0,0]=4 400 B8R0.7 CSCCCOC(C)C 34a_100000690336_100000210206 [1,0,0,0,0,0|2,0,1]=4 401 B8R0.7 CSCCCOC(C)C 7a_100000690336_100000210206 [1,0,0,0,0,0|2,0,1]=4 402 B8R0.7 CSCCCSC(=O)C 62a_100000038929_200000210301 [1,0,0,0,0,0|3,0,0]=4 403 B8R0.7 CSCCCSC(=O)C 62a_200000210301_100000038929 [1,0,0,0,0,0|3,0,0]=4 404 B8R0.7 CSCNCC=C(C)C 34a_100000718196_100011218213 [1,0,0,0,0,0|2,0,0]=3 405 B8R0.7 CSCOCC=C(C)C 34a_100000753907_100011218213 [1,0,0,0,0,0|2,0,0]=3 406 B8R0.7 CSCSCC=C(C)C 62a_100000761012_100011218213 [1,0,0,0,0,0|2,0,0]=3 407 B8R0.7 CSCSCC=C(C)C 62a_100011218213_100000761012 [1,0,0,0,0,0|2,0,0]=3 408 B8R0.7 [13CH3]NCCCCC(=O)N 34a_100000696515_200025704644 [1,0,0,0,0,0|2,0,1]=4 409 B8R0.28 C=C(C)C=NNC(C)C 4a_100000741168_100000210575 [1,0,0,0,0,0|2,0,1]=4 410 B8R0.28 C=C(C)CCNC(C)C 2230a_100138425928_100000730704 [1,0,0,0,0,0|1,0,2]=4 411 B8R0.28 C=C(C)CCNC(C)C 34a_100138425928_100000730704 [1,0,0,0,0,0|1,0,2]=4 412 B8R0.28 C=C(C)CCOC(C)C 34a_100000212225_100000730704 [1,0,0,0,0,0|1,0,2]=4 413 B8R0.28 C=C(C)CCOC(C)C 34a_100000764851_100000210206 [1,0,0,0,0,0|1,0,2]=4 414 B8R0.28 C=C(C)CCSC(C)C 62a_100000210206_100000730704 [1,0,0,0,0,0|1,0,2]=4 415 B8R0.28 C=C(C)CCSC(C)C 62a_100000730704_100000210206 [1,0,0,0,0,0|1,0,2]=4 416 B8R0.28 C=C(C)CNCC(C)C 2230a_100000210953_100000748629 [1,0,0,0,0,0|1,0,2]=4 417 B8R0.28 C=C(C)CNCC(C)C 34a_100000210953_100000748629 [1,0,0,0,0,0|1,0,2]=4 418 B8R0.28 C=C(C)COCC(C)C 34a_100000210245_100000210624 [1,0,0,0,0,0|1,0,2]=4 419 B8R0.28 C=C(C)COCC(C)C 34a_100000210257_100000748629 [1,0,0,0,0,0|1,0,2]=4 420 B8R0.28 C=C(C)COC[C@@H](C)N 34a_100000737577_100000748629 [1,0,0,0,0,0|1,0,2]=4 421 B8R0.28 C=C(C)CSCC(C)C 62a_100000210624_100000211660 [1,0,0,0,0,0|1,0,2]=4 422 B8R0.28 C=C(C)CSCC(C)C 62a_100000748629_100000210760 [1,0,0,0,0,0|1,0,2]=4 423 B8R0.28 CC(=CCCN(C)C)C 2230a_100102631434_100011217483 [1,0,0,0,0,0|1,0,0]=2 424 B8R0.28 CC(=CCCN(C)C)C 269982a_100102631434_100011217483 [1,0,0,0,0,0|1,0,0]=2 425 B8R0.28 CC(=CCNC(C)C)C 2230a_100138425928_100000761012 [1,0,0,0,0,0|1,0,0]=2 426 B8R0.28 CC(=CCNC(C)C)C 34a_100000718196_100000210206 [1,0,0,0,0,0|1,0,0]=2 427 B8R0.28 CC(=CCNC(C)C)C 34a_100138425928_100000761012 [1,0,0,0,0,0|1,0,0]=2 428 B8R0.28 CC(=CCOC(C)C)C 34a_100000212225_100000761012 [1,0,0,0,0,0|1,0,0]=2 429 B8R0.28 CC(=CCOC(C)C)C 34a_100000753907_100000210206 [1,0,0,0,0,0|1,0,0]=2 430 B8R0.28 CC(=CCSC(C)C)C 62a_100000210206_100000761012 [1,0,0,0,0,0|1,0,0]=2 431 B8R0.28 CC(=CCSC(C)C)C 62a_100000761012_100000210206 [1,0,0,0,0,0|1,0,0]=2 432 B8R0.28 CC(=O)C=CCN(C)C 1458a_100000754359_200000210301 [1,0,0,0,0,0|2,0,1]=4 433 B8R0.28 CC(=O)CCC=C(C)C 1458a_100000070787_100011217483 [1,0,0,0,0,0|1,0,1]=3 434 B8R0.28 CC(=O)CCCC(C)C 1458a_100000070787_100011214892 [1,0,0,0,0,0|1,0,1]=3 435 B8R0.28 CC(=O)CCCC(C)C 1458a_100011216857_200000210301 [1,0,0,0,0,0|1,0,1]=3 436 B8R0.28 CC(=O)CCCC(C)O 1458a_100000070787_200000718107 [1,0,0,0,0,0|2,0,1]=4 437 B8R0.28 CC(=O)CCCN(C)C 1458a_100000070787_100000695564 [1,0,0,0,0,0|2,0,1]=4 438 B8R0.28 CC(=O)CCCN(C)C 269982a_100102631434_100011215641 [1,0,0,0,0,0|2,0,1]=4 439 B8R0.28 CC(=O)CCOC(C)C 1458a_100000070787_100000211751 [1,0,0,0,0,0|2,0,1]=4 440 B8R0.28 CC(=O)CCOC(C)C 34a_100000759926_100000210206 [1,0,0,0,0,0|2,0,1]=4 441 B8R0.28 CC(=O)CCOC(C)C 7a_100000759926_100000210206 [1,0,0,0,0,0|2,0,1]=4 442 B8R0.28 CC(=O)CCSC(C)C 1458a_100000070787_100000730970 [1,0,0,0,0,0|2,0,1]=4 443 B8R0.28 CC(=O)CCSC(C)C 62a_100000053229_100000210206 [1,0,0,0,0,0|2,0,1]=4 444 B8R0.28 CC(=O)CCSC(C)C 62a_100000210206_100000053229 [1,0,0,0,0,0|2,0,1]=4 445 B8R0.28 CC(=O)COCC(C)C 1458a_100011223364_200000210301 [1,0,0,0,0,0|2,0,1]=4 446 B8R0.28 CC(=O)COCC(C)C 34a_100000211253_100000210624 [1,0,0,0,0,0|2,0,1]=4 447 B8R0.28 CC(=O)NCC=C(C)C 11a_100000718196_100015343762 [1,0,0,0,0,0|2,0,1]=4 448 B8R0.28 CC(=O)NCC=C(C)C 1626a_100000718196_100015343762 [1,0,0,0,0,0|2,0,1]=4 449 B8R0.28 CC(=O)NCC=C(C)C 527a_100000718196_100103153847 [1,0,0,0,0,0|2,0,1]=4 450 B8R0.28 CC(=O)NCCC(C)C 11a_100000210545_100015343762 [1,0,0,0,0,0|2,0,0]=3 451 B8R0.28 CC(=O)NCCC(C)C 1626a_100000210545_100015343762 [1,0,0,0,0,0|2,0,0]=3 452 B8R0.28 CC(=O)NCCC(C)C 240690a_100000210545_100015343762 [1,0,0,0,0,0|2,0,0]=3 453 B8R0.28 CC(=O)NCCC(C)C 527a_100000210545_100103153847 [1,0,0,0,0,0|2,0,0]=3 454 B8R0.28 CC(=O)NCCC(C)O 240690a_200000755665_100015343762 [1,0,0,0,0,0|3,0,0]=4 455 B8R0.28 CC(=O)NCCC(C)O 527a_200000755665_100103153847 [1,0,0,0,0,0|3,0,0]=4 456 B8R0.28 CC(=O)NCCN(C)C 2230a_100102631434_100000189650 [1,0,0,0,0,0|3,0,0]=4 457 B8R0.28 CC(=O)NCCN(C)C 240690a_100000210585_100015343762 [1,0,0,0,0,0|3,0,0]=4 458 B8R0.28 CC(=O)NCCN(C)C 269982a_100102631434_100000189650 [1,0,0,0,0,0|3,0,0]=4 459 B8R0.28 CC(=O)NCCN(C)C 527a_100000210585_100103153847 [1,0,0,0,0,0|3,0,0]=4 460 B8R0.28 CC(=O)NNCC(C)C 22a_100000696102_100000070787 [1,0,0,0,0,0|3,0,0]=4 461 B8R0.28 CC(=O)OCCN(C)C 269982a_100102631434_100009814007 [1,0,0,0,0,0|3,0,0]=4 462 B8R0.28 CC(=O)OCNC(C)C 34a_100138425928_100009813279 [1,0,0,0,0,0|3,0,0]=4 463 B8R0.28 CC(=O)OCOC(C)C 34a_100000212225_100009813279 [1,0,0,0,0,0|3,0,0]=4 464 B8R0.28 CC(=O)OCSC(C)C 62a_100000076356_100000210206 [1,0,0,0,0,0|3,0,0]=4 465 B8R0.28 CC(=O)OCSC(C)C 62a_100000210206_100000076356 [1,0,0,0,0,0|3,0,0]=4 466 B8R0.28 CC(Br)CCOC(C)C 34a_100009893172_100000210206 [1,0,0,0,0,0|2,0,1]=4 467 B8R0.28 CC(C)C=NNC(C)C 4a_100000741168_100000210432 [1,0,0,0,0,0|2,0,1]=4 468 B8R0.28 CC(C)CCCC(=O)[13CH3] 1458a_100011216857_200025704644 [1,0,0,0,0,0|1,0,1]=3 469 B8R0.28 CC(C)CCCN(C)C 2230a_100102631434_100011214892 [1,0,0,0,0,0|1,0,1]=3 470 B8R0.28 CC(C)CCCN(C)C 269982a_100102631434_100011214892 [1,0,0,0,0,0|1,0,1]=3 471 B8R0.28 CC(C)CCNC(C)C 2230a_100138425928_100000210312 [1,0,0,0,0,0|1,0,1]=3 472 B8R0.28 CC(C)CCNC(C)C 34a_100138425928_100000210312 [1,0,0,0,0,0|1,0,1]=3 473 B8R0.28 CC(C)CCOC(C)C 34a_100000210254_100000210206 [1,0,0,0,0,0|1,0,1]=3 474 B8R0.28 CC(C)CCOC(C)C 34a_100000212225_100000210312 [1,0,0,0,0,0|1,0,1]=3 475 B8R0.28 CC(C)CCOC(C)C 7a_100000210254_100000210206 [1,0,0,0,0,0|1,0,1]=3 476 B8R0.28 CC(C)CCSC(C)C 62a_100000210206_100000210312 [1,0,0,0,0,0|1,0,1]=3 477 B8R0.28 CC(C)CCSC(C)C 62a_100000210312_100000210206 [1,0,0,0,0,0|1,0,1]=3 478 B8R0.28 CC(C)CNCC(C)C 2230a_100000210953_100000210760 [1,0,0,0,0,0|1,0,2]=4 479 B8R0.28 CC(C)CNCC(C)C 270004a_100000210953_100000210432 [1,0,0,0,0,0|1,0,2]=4 480 B8R0.28 CC(C)CNCC(C)C 34a_100000210953_100000210624 [1,0,0,0,0,0|1,0,2]=4 481 B8R0.28 CC(C)COCC(=O)[13CH3] 1458a_100011223364_200025704644 [1,0,0,0,0,0|2,0,1]=4 482 B8R0.28 CC(C)COCC(C)C 34a_100000210257_100000210624 [1,0,0,0,0,0|1,0,2]=4 483 B8R0.28 CC(C)COC[C@@H](C)N 34a_100000737577_100000210624 [1,0,0,0,0,0|1,0,2]=4 484 B8R0.28 CC(C)CSCC(C)C 62a_100000210624_100000210760 [1,0,0,0,0,0|1,0,2]=4 485 B8R0.28 CC(C)NCOC(C)C 2230a_100138425928_100000709892 [1,0,0,0,0,0|2,0,1]=4 486 B8R0.28 CC(C)NCOC(C)C 34a_100138425928_100000709892 [1,0,0,0,0,0|2,0,1]=4 487 B8R0.28 CC(C)OCCN(C)C 2230a_100102631434_100000211751 [1,0,0,0,0,0|2,0,1]=4 488 B8R0.28 CC(C)OCCN(C)C 269982a_100102631434_100000211751 [1,0,0,0,0,0|2,0,1]=4 489 B8R0.28 CC(C)OCC[C@@H](C)N 34a_100000706166_100000210206 [1,0,0,0,0,0|1,0,1]=3 490 B8R0.28 CC(C)OCOC(C)C 34a_100000212225_100000709892 [1,0,0,0,0,0|2,0,1]=4 491 B8R0.28 CC(C)OCSC(C)C 62a_100000210206_100000709892 [1,0,0,0,0,0|2,0,1]=4 492 B8R0.28 CC(C)OCSC(C)C 62a_100000709892_100000210206 [1,0,0,0,0,0|2,0,1]=4 493 B8R0.28 CC(C)SCCN(C)C 2230a_100102631434_100000730970 [1,0,0,0,0,0|2,0,1]=4 494 B8R0.28 CC(C)SCCN(C)C 269982a_100102631434_100000730970 [1,0,0,0,0,0|2,0,1]=4 495 B8R0.28 CC(C)SCCN(C)C 62a_100000210206_100000755713 [1,0,0,0,0,0|2,0,1]=4 496 B8R0.28 CC(O)CCCN(C)C 2230a_100102631434_200000718107 [1,0,0,0,0,0|2,0,1]=4 497 B8R0.28 CC(O)CCCN(C)C 269982a_100102631434_200000718107 [1,0,0,0,0,0|2,0,1]=4 498 B8R0.28 CC(O)CCNC(C)C 2230a_100138425928_100012276601 [1,0,0,0,0,0|2,0,1]=4 499 B8R0.28 CC(O)CCNC(C)C 2230a_200000755665_100000210206 [1,0,0,0,0,0|2,0,1]=4 500 B8R0.28 CC(O)CCNC(C)C 34a_100138425928_100012276601 [1,0,0,0,0,0|2,0,1]=4 501 B8R0.28 CC(O)CCOC(C)C 34a_100000212225_100012276601 [1,0,0,0,0,0|2,0,1]=4 502 B8R0.28 CC(O)CCSC(C)C 62a_100000210206_100012276601 [1,0,0,0,0,0|2,0,1]=4 503 B8R0.28 CC(O)CCSC(C)C 62a_100012276601_100000210206 [1,0,0,0,0,0|2,0,1]=4 504 B8R0.28 CN(C)CC=CC(=O)[13CH3] 1458a_100000754359_200025704644 [1,0,0,0,0,0|2,0,1]=4 505 B8R0.28 CN(C)CCC=C(F)F 2230a_100102631434_200009816681 [1,0,0,0,0,0|3,0,0]=4 506 B8R0.28 CN(C)CCC=C(F)F 269982a_100102631434_200009816681 [1,0,0,0,0,0|3,0,0]=4 507 B8R0.28 CN(C)CCCN(C)C 269982a_100000225831_200000210301 [1,0,0,0,0,0|2,0,1]=4 508 B8R0.28 CN(C)CCCN(C)C 269982a_100102631434_100000757444 [1,0,0,0,0,0|2,0,1]=4 509 B8R0.28 CN(C)CCCN(C)[13CH3] 269982a_100000225831_200025704644 [1,0,0,0,0,0|2,0,1]=4 510 B10R0.3 C#CCC(C)OCC=C(C)C 34a_100000685586_100000761012 [0,1,0,0,0,0|2,0,1]=4 511 B10R0.3 C#CCC(C)OCC=C(C)C 7a_100000685586_100000761012 [0,1,0,0,0,0|2,0,1]=4 512 B10R0.3 C#CCN(C)CCC=C(C)C 2230a_100000225692_100011217483 [0,1,0,0,0,0|2,0,1]=4 513 B10R0.3 C#CCN(C)CCC=C(C)C 34a_100000225692_100011217483 [0,1,0,0,0,0|2,0,1]=4 514 B10R0.3 C/C=C/C(C)OCC=C(C)C 34a_200102604097_100000761012 [0,1,0,0,0,0|2,0,0]=3 515 B10R0.3 C=CCN(C)CCC=C(C)C 2230a_100000225617_100011217483 [0,1,0,0,0,0|2,0,1]=4 516 B10R0.3 C=CCN(C)CCC=C(C)C 269982a_100000225617_100011217483 [0,1,0,0,0,0|2,0,1]=4 517 B10R0.3 C=CC[C@@H](C)OCC=C(C)C 34a_100000731007_100000761012 [0,1,0,0,0,0|2,0,1]=4 518 B10R0.3 C=CC[C@@H](C)OCC=C(C)C 7a_100000731007_100000761012 [0,1,0,0,0,0|2,0,1]=4 519 B10R0.3 CC#CC(=O)CCC=C(C)C 1458a_100000763181_100011217483 [0,1,0,0,0,0|2,0,1]=4 520 B10R0.3 CC#CC(C)OCC=C(C)C 34a_100011216543_100000761012 [0,1,0,0,0,0|2,0,0]=3 521 B10R0.3 CC(=CCCC(=O)CCO)C 1458a_100011216618_100011217483 [0,1,0,0,0,0|2,0,1]=4 522 B10R0.3 CC(=CCCC(C)OCF)C 34a_100102619829_100015361967 [0,1,0,0,0,0|1,0,0]=2 523 B10R0.3 CC(=CCCC(C)OCF)C 7a_100102619829_100015361967 [0,1,0,0,0,0|1,0,0]=2 524 B10R0.3 CC(=CCCN(C)CC#N)C 2230a_100000748184_100011217483 [0,1,0,0,0,0|2,0,1]=4 525 B10R0.3 CC(=CCCN(C)CCO)C 2230a_100000210263_100011217483 [0,1,0,0,0,0|2,0,0]=3 526 B10R0.3 CC(=CCCN(C)CCO)C 269982a_100000210263_100011217483 [0,1,0,0,0,0|2,0,0]=3 527 B10R0.3 CC(=CCNC(C)CCO)C 34a_100000718196_100009893172 [0,1,0,0,0,0|2,0,0]=3 528 B10R0.3 CC(=CCN[C@@H](C)CC#N)C 2230a_100016994482_100000761012 [0,1,0,0,0,0|2,0,1]=4 529 B10R0.3 CC(=CCN[C@H](C)CCO)C 2230a_100000706166_100000761012 [0,1,0,0,0,0|2,0,0]=3 530 B10R0.3 CC(=CCN[C@H](C)CCO)C 34a_100000706166_100000761012 [0,1,0,0,0,0|2,0,0]=3 531 B10R0.3 CC(=CCOC(C)CCBr)C 34a_100012276601_100000761012 [0,1,0,0,0,0|2,0,0]=3 532 B10R0.3 CC(=CCOC(C)CCO)C 34a_100000753907_100009893172 [0,1,0,0,0,0|2,0,0]=3 533 B10R0.3 CC(=CCSC(C)CC#N)C 62a_100000761012_100009813641 [0,1,0,0,0,0|2,0,1]=4 534 B10R0.3 CC(=CCSC(C)CC#N)C 62a_100009813641_100000761012 [0,1,0,0,0,0|2,0,1]=4 535 B10R0.3 CC(=CCSC(C)CCO)C 62a_100000761012_100009893172 [0,1,0,0,0,0|2,0,0]=3 536 B10R0.3 CC(=CCSC(C)CCO)C 62a_100009893172_100000761012 [0,1,0,0,0,0|2,0,0]=3 537 B10R0.3 CC(C)CCCC(C)OCF 34a_200011218570_100015361967 [0,1,0,0,0,0|1,0,2]=4 538 B10R0.3 CC(C)CCCC(C)OCF 7a_200011218570_100015361967 [0,1,0,0,0,0|1,0,2]=4 539 B10R0.3 CC=CC(=O)CCC=C(C)C 1458a_100000210699_100011217483 [0,1,0,0,0,0|2,0,1]=4 540 B10R0.3 CCCC(=O)CCC=C(C)C 1458a_100000211992_100011217483 [0,1,0,0,0,0|2,0,1]=4 541 B10R0.3 CCCC(C)CCOC(C)C 34a_100011217855_100000210206 [0,1,0,0,0,0|2,0,1]=4 542 B10R0.3 CCCC(C)CCOC(C)C 7a_100011217855_100000210206 [0,1,0,0,0,0|2,0,1]=4 543 B10R0.3 CCCC(C)NCC=C(C)C 2230a_100000741246_100000761012 [0,1,0,0,0,0|2,0,0]=3 544 B10R0.3 CCCC(C)NCC=C(C)C 270004a_100000718196_100000211909 [0,1,0,0,0,0|2,0,0]=3 545 B10R0.3 CCCC(C)NCC=C(C)C 34a_100000718196_100000766640 [0,1,0,0,0,0|2,0,0]=3 546 B10R0.3 CCCC(C)OCC=C(C)C 34a_100000753907_100000766640 [0,1,0,0,0,0|2,0,0]=3 547 B10R0.3 CCCC(C)OCC=C(C)C 34a_100000764384_100000761012 [0,1,0,0,0,0|2,0,0]=3 548 B10R0.3 CCCC(C)OCC=C(C)C 7a_100000764384_100000761012 [0,1,0,0,0,0|2,0,0]=3 549 B10R0.3 CCCC(C)SCC=C(C)C 62a_100000761012_100000766640 [0,1,0,0,0,0|2,0,0]=3 550 B10R0.3 CCCC(C)SCC=C(C)C 62a_100000766640_100000761012 [0,1,0,0,0,0|2,0,0]=3 551 B10R0.3 CCCN(C)CCC=C(C)C 2230a_100000747261_100011217483 [0,1,0,0,0,0|2,0,0]=3 552 B10R0.3 CCCN(C)CCC=C(C)C 269982a_100000747261_100011217483 [0,1,0,0,0,0|2,0,0]=3 553 B10R0.3 CCNC(=O)NCC=C(C)C 2708a_100000718196_100015525214 [0,1,0,0,0,0|2,0,1]=4 554 B10R0.3 CCNC(=O)NCC=C(C)C 2708a_100015525214_100000718196 [0,1,0,0,0,0|2,0,1]=4 555 B10R0.3 CCNC(=O)NCC=C(C)C 273464a_100000718196_100015525214 [0,1,0,0,0,0|2,0,1]=4 556 B10R0.3 CCNC(=O)NCC=C(C)C 273464a_100015525214_100000718196 [0,1,0,0,0,0|2,0,1]=4 557 B10R0.3 CCNC(=O)NCC=C(C)C 512a_100000718196_100015525214 [0,1,0,0,0,0|2,0,1]=4 558 B10R0.3 CCNC(=O)NCC=C(C)C 512a_100015525214_100000718196 [0,1,0,0,0,0|2,0,1]=4 559 B10R0.3 CCNC(C)CCC=C(C)C 270004a_100015525214_100000765506 [0,1,0,0,0,0|0,0,0]=1 560 B10R0.3 CCNC(C)CCCC(C)C 2230a_100000210607_100000210202 [0,1,0,0,0,0|0,0,2]=3 561 B10R0.3 CCNC(C)CCCC(C)C 270004a_100015525214_100000753411 [0,1,0,0,0,0|0,0,2]=3 562 B10R0.3 CCNC(C)CCOC(C)C 270004a_100015525214_200011219172 [0,1,0,0,0,0|1,0,1]=3 563 B10R0.3 CCOC(C)CCC=C(C)C 34a_100102619829_100000210202 [0,1,0,0,0,0|1,0,0]=2 564 B10R0.3 CCOC(C)CCC=C(C)C 7a_100102619829_100000210202 [0,1,0,0,0,0|1,0,0]=2 565 B10R0.3 CCOC(C)CCCC(C)C 34a_200011218570_100000210202 [0,1,0,0,0,0|1,0,2]=4 566 B10R0.3 CCOC(C)CCCC(C)C 7a_200011218570_100000210202 [0,1,0,0,0,0|1,0,2]=4 567 B10R0.3 CNCC(C)CCC=C(C)C 270004a_106832991635_100000033009 [0,1,0,0,0,0|0,0,0]=1 568 B10R0.3 CNNC(=O)NCC=C(C)C 273464a_100000718196_100016993582 [0,1,0,0,0,0|2,0,1]=4 569 B10R0.3 CNNC(=O)NCC=C(C)C 512a_100000718196_100016993582 [0,1,0,0,0,0|2,0,1]=4 570 B10R0.3 CNNC(=O)NCC=C(C)C 512a_100016993582_100000718196 [0,1,0,0,0,0|2,0,1]=4 571 B10R0.3 COCC(=O)CCC=C(C)C 1458a_100000210968_100011217483 [0,1,0,0,0,0|2,0,1]=4 572 B10R0.3 COCC(C)NCC=C(C)C 270004a_100000718196_100000749346 [0,1,0,0,0,0|2,0,0]=3 573 B10R0.3 COCC(C)NCC=C(C)C 34a_100000718196_100000765312 [0,1,0,0,0,0|2,0,0]=3 574 B10R0.3 COCC(C)OCC=C(C)C 34a_100000753907_100000765312 [0,1,0,0,0,0|2,0,0]=3 575 B10R0.3 COCC(C)SCC=C(C)C 62a_100000761012_100000765312 [0,1,0,0,0,0|2,0,0]=3 576 B10R0.3 COCC(C)SCC=C(C)C 62a_100000765312_100000761012 [0,1,0,0,0,0|2,0,0]=3 577 B10R0.3 COC[C@@H](C)NCC=C(C)C 2230a_100000764878_100000761012 [0,1,0,0,0,0|2,0,0]=3 578 B10R0.3 COC[C@@H](C)OCC=C(C)C 34a_100011934205_100000761012 [0,1,0,0,0,0|2,0,0]=3 579 B10R0.3 CSCC(=O)CCC=C(C)C 1458a_100000184570_100011217483 [0,1,0,0,0,0|2,0,1]=4 580 B10R0.3 CSCC(C)NCC=C(C)C 270004a_100000718196_100011216314 [0,1,0,0,0,0|2,0,0]=3 581 B10R0.44 C#CC(C)OC(C)C=C(C)C 34a_100000717055_200000035995 [0,1,0,0,0,0|2,0,1]=4 582 B10R0.44 CC(=CC(=O)C[C@@H](C)CO)C 1458a_100000211388_100000059175 [0,1,0,0,0,0|2,0,1]=4 583 B10R0.44 CC(=CC(C)OC(C)CO)C 34a_100000717055_100012180447 [0,1,0,0,0,0|3,0,0]=4 584 B10R0.44 CCC(C)CC(=O)C=C(C)C 1458a_100000211388_100000748023 [0,1,0,0,0,0|1,0,1]=3 585 B10R0.44 CCC(C)CC(=O)C=C(C)Cl 1458a_200042562850_100000748023 [0,1,0,0,0,0|2,0,1]=4 586 B10R0.44 CCC(C)CC(=O)C=C(C)I 1458a_100025716642_100000748023 [0,1,0,0,0,0|2,0,1]=4 587 B10R0.44 CCC(C)CC(C)NC(=O)C 11a_100000763565_100015343762 [0,1,0,0,0,0|3,0,0]=4 588 B10R0.44 CCC(C)CC(C)NC(=O)C 1626a_100000763565_100015343762 [0,1,0,0,0,0|3,0,0]=4 589 B10R0.44 CCC(C)CC(C)NC(=O)C 240690a_100000763565_100015343762 [0,1,0,0,0,0|3,0,0]=4 590 B10R0.44 CCC(C)CC(C)NC(=O)C 527a_100000763565_100103153847 [0,1,0,0,0,0|3,0,0]=4 591 B10R0.44 CCC(C)CC(C)NC(C)C 2230a_100000763565_100000210206 [0,1,0,0,0,0|2,0,1]=4 592 B10R0.44 CCC(C)NC(=O)C=C(C)C 11a_100000209981_100000211388 [0,1,0,0,0,0|2,0,1]=4 593 B10R0.44 CCC(C)NC(=O)C=C(C)C 1626a_100000209981_100000211388 [0,1,0,0,0,0|2,0,1]=4 594 B10R0.44 CCC(C)NC(=O)C=C(C)C 240690a_100000209981_100000211388 [0,1,0,0,0,0|2,0,1]=4 595 B10R0.44 CCC(C)OC(C)C=C(C)C 34a_100000717055_100011215416 [0,1,0,0,0,0|2,0,0]=3 596 B10R0.44 CCC(O)CC(=O)C=C(C)C 1458a_100000211388_100011218378 [0,1,0,0,0,0|2,0,1]=4 597 B10R0.44 CC[C@H](C)CC(=O)C=C(C)C 1458a_100000211388_100009816398 [0,1,0,0,0,0|1,0,1]=3 598 B10R0.44 CC[C@H](C)CC(=O)C=C(C)Cl 1458a_200042562850_100009816398 [0,1,0,0,0,0|2,0,1]=4 599 B10R0.44 CC[C@H](C)CC(=O)C=C(C)I 1458a_100025716642_100009816398 [0,1,0,0,0,0|2,0,1]=4 600 B10R0.44 CNC(=O)CC(=O)C=C(C)C 1458a_100000211388_100000183359 [0,1,0,0,0,0|1,0,2]=4 601 B10R0.57 C#CC(C)C(=O)CC=C(C)C 1458a_100011220947_200000035995 [0,1,0,0,0,0|1,0,2]=4 602 B10R0.57 C/C=C(\C)/C(=O)CC=C(C)C 1458a_100020587367_100000761012 [0,1,0,0,0,0|1,0,2]=4 603 B10R0.57 C=CC(C)C(=O)CC=C(C)C 1458a_100011216780_100000761012 [0,1,0,0,0,0|1,0,2]=4 604 B10R0.57 CC(=CCC(=O)C(C)C#N)C 1458a_100000753662_100000761012 [0,1,0,0,0,0|2,0,1]=4 605 B10R0.57 CC(=CCC(=O)C(C)C#N)C 1458a_100011220947_100000703298 [0,1,0,0,0,0|2,0,1]=4 606 B10R0.57 CC(=CCN(C)C(C)CO)C 2230a_100000693034_100000761012 [0,1,0,0,0,0|3,0,0]=4 607 B10R0.57 CC(=CCN(C)C(C)CO)C 269982a_100000693034_100000761012 [0,1,0,0,0,0|3,0,0]=4 608 B10R0.57 CCC(C)C(=O)CC=C(C)C 1458a_100011192722_100000761012 [0,1,0,0,0,0|1,0,1]=3 609 B10R0.57 CCC(C)C(=O)CC=C(C)C 1458a_100011220947_100000758301 [0,1,0,0,0,0|1,0,1]=3 610 B10R0.57 CCC(C)N(C)CC=C(C)C 2230a_100000741768_100000761012 [0,1,0,0,0,0|2,0,0]=3 611 B10R0.57 CCC(C)N(C)CC=C(C)C 269982a_100000741768_100000761012 [0,1,0,0,0,0|2,0,0]=3 612 B10R0.57 CCC(O)C(=O)CC=C(C)C 1458a_100011196387_100000761012 [0,1,0,0,0,0|2,0,1]=4 613 B10R0.57 CCN(C)C(=O)CC=C(C)C 11a_100000225621_100011220947 [0,1,0,0,0,0|2,0,1]=4 614 B10R0.57 CCN(C)C(=O)CC=C(C)C 1626a_100000225621_100011220947 [0,1,0,0,0,0|2,0,1]=4 615 B10R0.57 CCN(C)C(=O)CC=C(C)C 240690a_100000225621_100011220947 [0,1,0,0,0,0|2,0,1]=4 616 B10R0.57 CCN(C)C(=O)CC=C(C)C 527a_100000225621_100011220947 [0,1,0,0,0,0|2,0,1]=4 617 B10R0.57 CNC(=O)C(=O)CC=C(C)C 1458a_100011218921_100000761012 [0,1,0,0,0,0|1,0,2]=4 618 B10R0.57 COC(C)C(=O)CC=C(C)C 1458a_100000743197_100000761012 [0,1,0,0,0,0|1,0,1]=3 619 B10R0.57 CSC(C)C(=O)CC=C(C)C 1458a_100000149566_100000761012 [0,1,0,0,0,0|1,0,1]=3 620 B10R0.59 C#C/C(=C\COC(C)CC)/C 34a_100016990848_100011215416 [0,1,0,0,0,0|2,0,1]=4 621 B10R0.59 C/C=C(\C)/C=NNC(C)CC 4a_100000718999_100020587592 [0,1,0,0,0,0|3,0,0]=4 622 B10R0.59 CCC(=O)NCCC(C)CC 11a_100020591266_100000210414 [0,1,0,0,0,0|3,0,0]=4 623 B10R0.59 CCC(=O)NCCC(C)CC 1626a_100020591266_100000210414 [0,1,0,0,0,0|3,0,0]=4 624 B10R0.59 CCC(=O)NCCC(C)CC 240690a_100020591266_100000210414 [0,1,0,0,0,0|3,0,0]=4 625 B10R0.59 CCC(=O)NCCC(C)CC 527a_100020591266_100000210414 [0,1,0,0,0,0|3,0,0]=4 626 B10R0.59 CCC(C)CCNC(=O)CO 240690a_100020591266_100000210174 [0,1,0,0,0,0|3,0,0]=4 627 B10R0.59 CCC(C)CCNC(=O)CO 527a_100020591266_100000210174 [0,1,0,0,0,0|3,0,0]=4 628 B10R0.59 CCC(C)CCNC(=O)NC 2708a_100020591266_106832991635 [0,1,0,0,0,0|3,0,0]=4 629 B10R0.59 CCC(C)CCNC(=O)NC 2708a_100102657272_100020591266 [0,1,0,0,0,0|3,0,0]=4 630 B10R0.59 CCC(C)CCNC(=O)NC 273464a_100020591266_100102657272 [0,1,0,0,0,0|3,0,0]=4 631 B10R0.59 CCC(C)CCNC(=O)NC 273464a_100102657272_100020591266 [0,1,0,0,0,0|3,0,0]=4 632 B10R0.59 CCC(C)CCNC(=O)NC 512a_100020591266_100102657272 [0,1,0,0,0,0|3,0,0]=4 633 B10R0.59 CCC(C)CCNC(=O)NC 512a_106832991638_100020591266 [0,1,0,0,0,0|3,0,0]=4 634 B10R0.59 CCC(C)CCNC(C)CC 2230a_100020591266_100000758301 [0,1,0,0,0,0|2,0,1]=4 635 B10R0.59 CCC(C)CCNC(C)CO 2230a_100020591266_100012180447 [0,1,0,0,0,0|2,0,1]=4 636 B10R0.59 CCC(C)CCOC(C)CC 7a_100011215188_100000758301 [0,1,0,0,0,0|2,0,1]=4 637 B10R0.59 CCC(C)CCOC(C)CO 7a_100011215188_100012180447 [0,1,0,0,0,0|2,0,1]=4 638 B10R0.59 CCC(C)OCCC(C)OC 7a_100000764861_100000758301 [0,1,0,0,0,0|2,0,1]=4 639 B10R0.59 COC(C)CCOC(C)CO 7a_100000764861_100012180447 [0,1,0,0,0,0|2,0,1]=4 640 B10R0.65 C#CC(C)(C)NCC=C(C)C 34a_100000054563_100000761012 [0,1,0,0,0,0|2,0,1]=4 641 B10R0.65 C#CC(C)(C)NCC=C(C)C 34a_100000718196_100000038118 [0,1,0,0,0,0|2,0,1]=4 642 B10R0.65 C#CC(C)(C)OCC=C(C)C 34a_100000189450_100000761012 [0,1,0,0,0,0|2,0,1]=4 643 B10R0.65 C#CC(C)(C)OCC=C(C)C 34a_100000753907_100000038118 [0,1,0,0,0,0|2,0,1]=4 644 B10R0.65 C#CC(C)(C)OCC=C(C)C 7a_100000189450_100000761012 [0,1,0,0,0,0|2,0,1]=4 645 B10R0.65 C#CC(C)(C)SCC=C(C)C 62a_100000038118_100000761012 [0,1,0,0,0,0|2,0,1]=4 646 B10R0.65 C#CC(C)(C)SCC=C(C)C 62a_100000761012_100000038118 [0,1,0,0,0,0|2,0,1]=4 647 B10R0.65 C=CC(C)(C)OCC=C(C)C 34a_100011215311_100000761012 [0,1,0,0,0,0|2,0,1]=4 648 B10R0.65 C=CC(C)(C)OCC=C(C)C 7a_100011215311_100000761012 [0,1,0,0,0,0|2,0,1]=4 649 B10R0.65 CC(=CCNC(C)(C)C#N)C 34a_100000718196_100011162410 [0,1,0,0,0,0|3,0,0]=4 650 B10R0.65 CC(=CCNC(C)(C)CO)C 2230a_100000210608_100000761012 [0,1,0,0,0,0|3,0,0]=4 651 B10R0.65 CC(=CCOC(C)(C)C#N)C 34a_100000753907_100011162410 [0,1,0,0,0,0|3,0,0]=4 652 B10R0.65 CC(=CCOC(C)(C)C#N)C 34a_200015195151_100000761012 [0,1,0,0,0,0|3,0,0]=4 653 B10R0.65 CC(=CCOC(C)(C)CCl)C 7a_100000764493_100000761012 [0,1,0,0,0,0|3,0,0]=4 654 B10R0.65 CC(=CCSC(C)(C)C#N)C 62a_100000761012_100011162410 [0,1,0,0,0,0|3,0,0]=4 655 B10R0.65 CC(=CCSC(C)(C)C#N)C 62a_100011162410_100000761012 [0,1,0,0,0,0|3,0,0]=4 656 B10R0.65 CC(C)CCCC(C)(C)O[13CH3] 7a_100011215742_200025704644 [0,1,0,0,0,0|1,0,2]=4 657 B10R0.65 CCC(C)(C)NCC=C(C)C 2230a_100000211385_100000761012 [0,1,0,0,0,0|2,0,0]=3 658 B10R0.65 CCC(C)(C)OCC=C(C)C 7a_100000210230_100000761012 [0,1,0,0,0,0|2,0,0]=3 659 B10R0.65 CCC(C)(C)SCC=C(C)C 62a_100000032637_100000761012 [0,1,0,0,0,0|2,0,0]=3 660 B10R0.65 CCC(C)(C)SCC=C(C)C 62a_100000761012_100000032637 [0,1,0,0,0,0|2,0,0]=3 661 B10R0.65 COC(C)(C)CCCC(C)C 7a_100011215742_200000210301 [0,1,0,0,0,0|1,0,2]=4 662 B10R0.65 COC(C)(C)CCOC(C)C 7a_100000699976_100000210206 [0,1,0,0,0,0|2,0,1]=4 663 B10R0.77 C#CC(CC)OCC=C(C)C 34a_100000758843_100000761012 [0,1,0,0,0,0|2,0,1]=4 664 B10R0.77 C#CC(CC)OCC=C(C)C 7a_100000758843_100000761012 [0,1,0,0,0,0|2,0,1]=4 665 B10R0.77 C=CC(CC)OCC=C(C)C 34a_100000766422_100000761012 [0,1,0,0,0,0|2,0,1]=4 666 B10R0.77 C=CC(CC)OCC=C(C)C 7a_100000766422_100000761012 [0,1,0,0,0,0|2,0,1]=4 667 B10R0.77 C=C[C@@H](CO)NCC=C(C)C 2230a_100016989147_100000761012 [0,1,0,0,0,0|2,0,1]=4 668 B10R0.77 C=C[C@@H](CO)NCC=C(C)C 34a_100016989147_100000761012 [0,1,0,0,0,0|2,0,1]=4 669 B10R0.77 CC(=CCNC(CO)CO)C 2230a_100000759517_100000761012 [0,1,0,0,0,0|3,0,0]=4 670 B10R0.77 CC(=CCOC(CCl)CCl)C 7a_100000737055_100000761012 [0,1,0,0,0,0|3,0,0]=4 671 B10R0.77 CC(=CCOC(CF)CF)C 34a_100000032261_100000761012 [0,1,0,0,0,0|3,0,0]=4 672 B10R0.77 CC(=CCOC(CF)CF)C 7a_100000032261_100000761012 [0,1,0,0,0,0|3,0,0]=4 673 B10R0.77 CC(=CCOC(CN)CN)C 34a_100000031598_100000761012 [0,1,0,0,0,0|3,0,0]=4 674 B10R0.77 CC(=CCO[C@@H](CF)CCl)C 34a_100015614560_100000761012 [0,1,0,0,0,0|3,0,0]=4 675 B10R0.77 CC(=CCO[C@@H](CF)CCl)C 7a_100015614560_100000761012 [0,1,0,0,0,0|3,0,0]=4 676 B10R0.77 CCC(CC)NCC=C(C)C 2230a_100000199018_100000761012 [0,1,0,0,0,0|2,0,0]=3 677 B10R0.77 CCC(CC)NCC=C(C)C 270004a_100000718196_100000210860 [0,1,0,0,0,0|2,0,0]=3 678 B10R0.77 CCC(CC)OCC=C(C)C 7a_100000688536_100000761012 [0,1,0,0,0,0|2,0,0]=3 679 B10R0.77 CCC(CC)SCC=C(C)C 62a_100000210505_100000761012 [0,1,0,0,0,0|2,0,0]=3 680 B10R0.77 CCC(CC)SCC=C(C)C 62a_100000761012_100000210505 [0,1,0,0,0,0|2,0,0]=3 681 B10R0.77 CCN(CC)CCC=C(C)C 2230a_100000724800_100011217483 [0,1,0,0,0,0|2,0,0]=3 682 B10R0.77 CCN(CC)CCC=C(C)C 269956a_100000042499_100011217483 [0,1,0,0,0,0|2,0,0]=3 683 B10R0.77 CCN(CC)CCC=C(C)C 269982a_100000724800_100011217483 [0,1,0,0,0,0|2,0,0]=3 684 B10R0.77 CC[C@@H](CO)NCC=C(C)C 2230a_100000709445_100000761012 [0,1,0,0,0,0|2,0,0]=3 685 B10R0.77 COC(CCCC(=O)C)OC 1458a_100000070787_100000069011 [0,1,0,0,0,0|2,0,1]=4 686 B10R0.77 COC(CCCN(C)C)OC 2230a_100102631434_100000069011 [0,1,0,0,0,0|2,0,1]=4 687 B10R0.77 COC(CCCN(C)C)OC 269982a_100102631434_100000069011 [0,1,0,0,0,0|2,0,1]=4 688 B10R0.77 COC(CCNC(C)C)OC 2230a_100138425928_100009813347 [0,1,0,0,0,0|2,0,1]=4 689 B10R0.77 COC(CCNC(C)C)OC 34a_100138425928_100000139399 [0,1,0,0,0,0|2,0,1]=4 690 B10R0.77 COC(CCOC(C)C)OC 34a_100000212225_100000139399 [0,1,0,0,0,0|2,0,1]=4 691 B10R0.77 COC(CCSC(C)C)OC 62a_100000139399_100000210206 [0,1,0,0,0,0|2,0,1]=4 692 B10R0.77 COC(CCSC(C)C)OC 62a_100000210206_100000139399 [0,1,0,0,0,0|2,0,1]=4 693 B10R0.82 C=C(C)C(=O)NCC(C)CC 11a_100020588543_100000185857 [0,1,0,0,0,0|2,0,1]=4 694 B10R0.82 C=C(C)C(=O)NCC(C)CC 1626a_100020588543_100000185857 [0,1,0,0,0,0|2,0,1]=4 695 B10R0.82 C=C(C)C(=O)NCC(C)OC 34a_100000065599_200000210301 [0,1,0,0,0,0|2,0,1]=4 696 B10R0.82 C=C(C)C(=O)NCC(C)O[13CH3] 34a_100000065599_200025704644 [0,1,0,0,0,0|2,0,1]=4 697 B10R0.82 C=C(C)C(=O)NC[C@@H](C)OC 11a_100020591295_100000185857 [0,1,0,0,0,0|2,0,1]=4 698 B10R0.82 C=C(C)C(=O)NC[C@@H](C)OC 1626a_100020591295_100000185857 [0,1,0,0,0,0|2,0,1]=4 699 B10R0.82 C=C(C)C(=O)OCC(C)OC 7a_100000061822_200000210301 [0,1,0,0,0,0|2,0,1]=4 700 B10R0.82 C=C(C)C(=O)OCC(C)O[13CH3] 7a_100000061822_200025704644 [0,1,0,0,0,0|2,0,1]=4 701 B10R0.82 CCC(C)CCC(=O)C(C)C 1458a_100000701222_100000210206 [0,1,0,0,0,0|1,0,1]=3 702 B10R0.82 CCC(C)CCC(=O)N(C)C 11a_100102631434_100000701222 [0,1,0,0,0,0|2,0,0]=3 703 B10R0.82 CCC(C)CCC(=O)N(C)C 1626a_100102631434_100000701222 [0,1,0,0,0,0|2,0,0]=3 704 B10R0.82 CCC(C)CCC(=O)N(C)C 240690a_100102631434_100000701222 [0,1,0,0,0,0|2,0,0]=3 705 B10R0.82 CCC(C)CCC(=O)N(C)C 527a_100102631434_100000701222 [0,1,0,0,0,0|2,0,0]=3 706 B10R0.82 CCC(C)CNC(=O)C(C)C 11a_100020588543_100000210198 [0,1,0,0,0,0|2,0,1]=4 707 B10R0.82 CCC(C)CNC(=O)C(C)C 1626a_100020588543_100000210198 [0,1,0,0,0,0|2,0,1]=4 708 B10R0.82 CCC(C)CNC(=O)C(C)C 240690a_100020588543_100000210198 [0,1,0,0,0,0|2,0,1]=4 709 B10R0.82 CCC(C)CNC(=O)C(C)C 527a_100020588543_100000210198 [0,1,0,0,0,0|2,0,1]=4 710 B10R0.82 CCC(C)CNC(=O)N(C)C 2708a_100020588543_100102631434 [0,1,0,0,0,0|3,0,0]=4 711 B10R0.82 CCC(C)NCC(=O)C(C)C 2230a_100000209981_100000753385 [0,1,0,0,0,0|2,0,1]=4 712 B10R0.82 CCC(C)NCC(=O)N(C)C 2230a_100000209981_100000185267 [0,1,0,0,0,0|3,0,0]=4 713 B10R0.82 CCC(C)NCC(=O)N(C)C 2230a_100015183351_100000758301 [0,1,0,0,0,0|3,0,0]=4 714 B10R0.82 CCC(C)OCC(=O)C(C)C 7a_100000210228_100000753385 [0,1,0,0,0,0|2,0,1]=4 715 B10R0.82 CCC(C)OCC(=O)N(C)C 7a_100000210228_100000692301 [0,1,0,0,0,0|3,0,0]=4 716 B10R0.82 CCC(C)SCC(=O)C(=O)C 62a_100000758301_100011261029 [0,1,0,0,0,0|3,0,0]=4 717 B10R0.82 CCC(C)SCC(=O)C(=O)C 62a_100011261029_100000758301 [0,1,0,0,0,0|3,0,0]=4 718 B10R0.82 CCC(C)SCC(=O)C(C)C 62a_100000753385_100000758301 [0,1,0,0,0,0|2,0,1]=4 719 B10R0.82 CCC(C)SCC(=O)C(C)C 62a_100000758301_100000753385 [0,1,0,0,0,0|2,0,1]=4 720 B10R0.82 CCC(C)SCC(=O)N(C)C 62a_100000692301_100000758301 [0,1,0,0,0,0|3,0,0]=4 721 B10R0.82 CCC(C)SCC(=O)N(C)C 62a_100000758301_100000692301 [0,1,0,0,0,0|3,0,0]=4 722 B10R0.82 CCC(O)CCC(=O)N(C)C 1626a_100102631434_203496584001 [0,1,0,0,0,0|3,0,0]=4 723 B10R0.82 CCC(O)CCC(=O)N(C)C 240690a_100102631434_203496584001 [0,1,0,0,0,0|3,0,0]=4 724 B10R0.82 CCN(C)CCC(=O)C(C)C 1458a_100000755305_100000210206 [0,1,0,0,0,0|2,0,1]=4 725 B10R0.82 CCN(C)CCC(=O)N(C)C 2230a_100000225621_100000737620 [0,1,0,0,0,0|3,0,0]=4 726 B10R0.82 CCN(C)CCC(=O)N(C)C 240690a_100102631434_100000755305 [0,1,0,0,0,0|3,0,0]=4 727 B10R0.82 CCN(C)CCC(=O)N(C)C 269982a_100000225621_100000737620 [0,1,0,0,0,0|3,0,0]=4 728 B10R0.82 CNC(=O)CCC(=O)C(C)C 1458a_100011309844_100000210206 [0,1,0,0,0,0|1,0,2]=4 729 B10R0.82 CNC(=O)CCC(=O)N(C)C 11a_100102631434_100011309844 [0,1,0,0,0,0|2,0,1]=4 730 B10R0.82 CNC(=O)CCC(=O)N(C)C 11a_106832991635_100011200748 [0,1,0,0,0,0|2,0,1]=4 731 B10R0.82 CNC(=O)CCC(=O)N(C)C 1626a_100102631434_100011309844 [0,1,0,0,0,0|2,0,1]=4 732 B10R0.82 CNC(=O)CCC(=O)N(C)C 1626a_100102657272_100011200748 [0,1,0,0,0,0|2,0,1]=4 733 B10R0.82 CNC(=O)CCC(=O)N(C)C 240690a_100102631434_100011309844 [0,1,0,0,0,0|2,0,1]=4 734 B10R0.82 CNC(=O)CCC(=O)N(C)C 240690a_100102657272_100011200748 [0,1,0,0,0,0|2,0,1]=4 735 B10R0.82 CNC(=O)CCC(=O)N(C)C 527a_100102631434_100011309844 [0,1,0,0,0,0|2,0,1]=4 736 B10R0.82 CNC(=O)CCC(=O)N(C)C 527a_100102657272_100011200748 [0,1,0,0,0,0|2,0,1]=4 737 B10R0.82 COC(C)SCC(=O)C(=O)C 62a_100009879195_100011261029 [0,1,0,0,0,0|3,0,0]=4 738 B10R0.82 COC(C)SCC(=O)C(=O)C 62a_100011261029_100009879195 [0,1,0,0,0,0|3,0,0]=4 739 B10R0.82 COC(C)SCC(=O)C(C)C 62a_100000753385_100009879195 [0,1,0,0,0,0|2,0,1]=4 740 B10R0.82 COC(C)SCC(=O)C(C)C 62a_100009879195_100000753385 [0,1,0,0,0,0|2,0,1]=4 741 B10R0.82 COC(C)SCC(=O)N(C)C 62a_100000692301_100009879195 [0,1,0,0,0,0|3,0,0]=4 742 B10R0.82 COC(C)SCC(=O)N(C)C 62a_100009879195_100000692301 [0,1,0,0,0,0|3,0,0]=4 743 B10R0.82 CO[C@H](C)CNC(=O)C(C)C 11a_100020591295_100000210198 [0,1,0,0,0,0|2,0,1]=4 744 B10R0.82 CO[C@H](C)CNC(=O)C(C)C 1626a_100020591295_100000210198 [0,1,0,0,0,0|2,0,1]=4 745 B10R0.82 CO[C@H](C)CNC(=O)C(C)C 240690a_100020591295_100000210198 [0,1,0,0,0,0|2,0,1]=4 746 B10R0.82 CO[C@H](C)CNC(=O)C(C)C 527a_100020591295_100000210198 [0,1,0,0,0,0|2,0,1]=4 747 B10R0.82 CO[C@H](C)CNC(=O)N(C)C 2708a_100020591295_100102631434 [0,1,0,0,0,0|3,0,0]=4 748 B10R0.98 C=C(C)C(=O)CCC=C(C)C 1458a_100000185857_100011217483 [0,1,0,0,0,0|2,0,1]=4 749 B10R0.98 CC(=CCCC(=O)C(C)C)C 1458a_100000210198_100011217483 [0,1,0,0,0,0|2,0,1]=4 750 B10R0.98 CC(=CCCC(=O)C(C)F)C 1458a_100000062450_100011217483 [0,1,0,0,0,0|2,0,1]=4 751 B10R0.98 CC(=CCCC(=O)[C@@H](C)O)C 1458a_100000717761_100011217483 [0,1,0,0,0,0|2,0,1]=4 752 B10R0.98 CC(=CCCC(=O)[C@H](C)O)C 1458a_217856618621_100011217483 [0,1,0,0,0,0|2,0,1]=4 753 B10R0.98 CC(=CCCC(C)N(C)C)C 270004a_100102631434_100000765506 [0,1,0,0,0,0|0,0,0]=1 754 B10R0.98 CC(=CCCN(C)C(C)C)C 269982a_200000211004_100011217483 [0,1,0,0,0,0|2,0,0]=3 755 B10R0.98 CC(=CCNC(=O)N(C)C)C 2708a_100000718196_100102631434 [0,1,0,0,0,0|2,0,1]=4 756 B10R0.98 CC(=CCNC(C)C(=O)N)C 34a_100000718196_100000702099 [0,1,0,0,0,0|3,0,0]=4 757 B10R0.98 CC(=CCNC(C)C(C)C)C 2230a_100000211541_100000761012 [0,1,0,0,0,0|2,0,0]=3 758 B10R0.98 CC(=CCN[C@@H](C)C(=O)O)C 269956a_100000743915_100000761012 [0,1,0,0,0,0|3,0,0]=4 759 B10R0.98 CC(=CCN[C@H](C)C(=O)N)C 2230a_100000119354_100000761012 [0,1,0,0,0,0|3,0,0]=4 760 B10R0.98 CC(=CCN[C@H](C)C(=O)N)C 34a_100000119354_100000761012 [0,1,0,0,0,0|3,0,0]=4 761 B10R0.98 CC(=CCOC(C)C(=O)N)C 34a_100000753907_100000702099 [0,1,0,0,0,0|3,0,0]=4 762 B10R0.98 CC(=CCOC(C)C(C)C)C 7a_100000748068_100000761012 [0,1,0,0,0,0|2,0,0]=3 763 B10R0.98 CC(=CCO[C@@H](C)C(=O)[O-])C 7a_217856618621_100000761012 [0,1,0,0,0,0|3,0,0]=4 764 B10R0.98 CC(=CCO[C@H](C)C(=O)N)C 34a_100000731257_100000761012 [0,1,0,0,0,0|3,0,0]=4 765 B10R0.98 CC(=CCO[C@H](C)C(=O)N)C 7a_100000731257_100000761012 [0,1,0,0,0,0|3,0,0]=4 766 B10R0.98 CC(=CCSC(C)C(=O)N)C 62a_100000702099_100000761012 [0,1,0,0,0,0|3,0,0]=4 767 B10R0.98 CC(=CCSC(C)C(=O)N)C 62a_100000761012_100000702099 [0,1,0,0,0,0|3,0,0]=4 768 B10R0.98 CC(=O)C(C)OCC=C(C)C 34a_100000212229_100000761012 [0,1,0,0,0,0|2,0,0]=3 769 B10R0.98 CC(=O)C(C)SCC=C(C)C 62a_100000761012_100009814033 [0,1,0,0,0,0|2,0,0]=3 770 B10R0.98 CC(=O)C(C)SCC=C(C)C 62a_100009814033_100000761012 [0,1,0,0,0,0|2,0,0]=3 771 B10R0.98 CC(C)CCCC(C)N(C)C 270004a_100102631434_100000753411 [0,1,0,0,0,0|0,0,2]=3 772 B10R0.98 CC(C)OCCC(C)N(C)C 270004a_100102631434_200011219172 [0,1,0,0,0,0|1,0,1]=3 773 B10R1.13 CC(=O)C1CCC(CC1)C 1458a_100000070787_200011216234 [0,0,0,1,0,0|2,0,1]=4 774 B10R1.13 CC(=O)N1CCC(CC1)C 240690a_100000188429_100015343762 [0,0,0,1,0,0|3,0,0]=4 775 B10R1.13 CC(=O)N1CCC(CC1)C 527a_100000188429_100103153847 [0,0,0,1,0,0|3,0,0]=4 776 B10R1.13 CC(=O)[C@H]1CC[C@@H](CC1)C 1458a_100009815934_200000210301 [0,0,0,1,0,0|2,0,1]=4 777 B10R1.13 CC1CCC(CC1)N(C)C 269982a_100102631434_200011216234 [0,0,0,1,0,0|2,0,1]=4 778 B10R1.13 CC1CCC(CC1)N(C)C 270004a_100102631434_100000185489 [0,0,0,1,0,0|2,0,1]=4 779 B10R1.13 CC1CCN(CC1)C(C)C 2230a_100000188429_100000210206 [0,0,0,1,0,0|2,0,1]=4 780 B10R1.13 CC1CCN(CC1)C(C)C 269982a_100000188429_100000210206 [0,0,0,1,0,0|2,0,1]=4 781 B10R1.13 CC1CCN(CC1)C(C)C 34a_100000188429_100000210206 [0,0,0,1,0,0|2,0,1]=4 782 B10R1.13 C[C@H]1CC[C@@H](CC1)C(=O)[13CH3] 1458a_100009815934_200025704644 [0,0,0,1,0,0|2,0,1]=4 783 B10R1.14 CNC(C)c1cc(cs1)C 269862a_106832991636_100000034720 [0,0,0,1,0,0|1,0,2]=4 784 B10R1.14 CNC(C)c1ccc(o1)C 269862a_106832991636_100000204583 [0,0,0,1,0,0|1,0,2]=4 785 B10R1.14 CNC(C)c1ccc(s1)C 269862a_106832991636_100000195387 [0,0,0,1,0,0|1,0,2]=4 786 B10R1.14 CNC(C)c1nc(c[nH]1)C 2230a_103496583476_200000210301 [0,0,0,1,0,0|2,0,1]=4 787 B10R1.14 CNC(C)c1nc(co1)C 270004a_106832991635_100009826828 [0,0,0,1,0,0|2,0,1]=4 788 B10R1.14 CNC(C)c1nc(cs1)C 2230a_100015185622_200000210301 [0,0,0,1,0,0|2,0,1]=4 789 B10R1.14 CNC(C)c1nc(cs1)C 269862a_106832991636_100011857357 [0,0,0,1,0,0|2,0,1]=4 790 B10R1.14 CNC(C)c1ncc(s1)C 269862a_106832991636_100011857370 [0,0,0,1,0,0|2,0,1]=4 791 B10R1.14 Cc1c[nH]c(n1)C(C)N[13CH3] 2230a_103496583476_200025704644 [0,0,0,1,0,0|2,0,1]=4 792 B10R1.14 Cc1csc(n1)C(C)N[13CH3] 2230a_100015185622_200025704644 [0,0,0,1,0,0|2,0,1]=4 793 B10R1.31 CC(=O)N1CCC(C1)N[13CH3] 2230a_100000705975_200025704644 [0,0,0,1,0,0|2,0,0]=3 794 B10R1.31 CC(=O)N1CC[C@@H](C1)O[13CH3] 7a_100012000934_200025704644 [0,0,0,1,0,0|3,0,0]=4 795 B10R1.31 CC(C)N1CCC(C1)N[13CH3] 2230a_100000746141_200025704644 [0,0,0,1,0,0|1,0,1]=3 796 B10R1.31 CCC1CCC(C1)N(C)C 270004a_100102631434_100011218773 [0,0,0,1,0,0|2,0,1]=4 797 B10R1.31 CNC1CCN(C1)C(=O)C 2230a_100000705975_200000210301 [0,0,0,1,0,0|2,0,0]=3 798 B10R1.31 CNC1CCN(C1)C(C)C 2230a_100000746141_200000210301 [0,0,0,1,0,0|1,0,1]=3 799 B10R1.31 CN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_200000210301 [0,0,0,1,0,0|2,0,1]=4 800 B10R1.31 CO[C@@H]1CCN(C1)C(=O)C 11a_100000766984_100015343762 [0,0,0,1,0,0|3,0,0]=4 801 B10R1.31 CO[C@@H]1CCN(C1)C(=O)C 1626a_100000766984_100015343762 [0,0,0,1,0,0|3,0,0]=4 802 B10R1.31 CO[C@@H]1CCN(C1)C(=O)C 240690a_100000766984_100015343762 [0,0,0,1,0,0|3,0,0]=4 803 B10R1.31 CO[C@@H]1CCN(C1)C(=O)C 527a_100000766984_100103153847 [0,0,0,1,0,0|3,0,0]=4 804 B10R1.31 CO[C@@H]1CCN(C1)C(C)C 2230a_100000766984_100000210206 [0,0,0,1,0,0|2,0,1]=4 805 B10R1.31 CO[C@@H]1CCN(C1)C(C)C 269982a_100000766984_100000210206 [0,0,0,1,0,0|2,0,1]=4 806 B10R1.31 CO[C@H]1CCN(C1)C(=O)C 7a_100012000934_200000210301 [0,0,0,1,0,0|3,0,0]=4 807 B10R1.31 [13CH3]N[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_200025704644 [0,0,0,1,0,0|2,0,1]=4 808 B10R1.54 CC1CCC(C1)OC(C)C 34a_100000698185_100000210206 [0,0,0,1,0,0|2,0,1]=4 809 B10R1.73 CC(=CCN[C@@H]1C[C@@H]1F)C 2230a_100015190264_100000761012 [0,0,0,1,0,0|3,0,0]=4 810 B10R1.73 CC(=CCN[C@@H]1C[C@H]1F)C 2230a_100025746932_100000761012 [0,0,0,1,0,0|3,0,0]=4 811 B10R1.73 CC(=CCN[C@@H]1C[C@H]1F)C 34a_100025746932_100000761012 [0,0,0,1,0,0|3,0,0]=4 812 B10R1.117 CC(=CCN1CCC1C)C 269982a_100000755817_100000761012 [0,0,0,1,0,0|2,0,0]=3 813 B10R1.117 CC(=CCN1CCC1C)C 34a_100000755817_100000761012 [0,0,0,1,0,0|2,0,0]=3 814 B10R1.127 CC(=CCCN1CCC1)C 269982a_100000754969_100011217483 [0,0,0,1,0,0|2,0,0]=3 815 B10R1.127 CC(=CCNC1CCC1)C 2230a_100000749019_100000761012 [0,0,0,1,0,0|2,0,0]=3 816 B10R1.127 CC(=CCNC1CCC1)C 270004a_100000718196_100000241760 [0,0,0,1,0,0|2,0,0]=3 817 B10R1.127 CC(=CCNC1CCC1)C 34a_100000718196_100000749161 [0,0,0,1,0,0|2,0,0]=3 818 B10R1.127 CC(=CCNC1CCC1)C 34a_100000749019_100000761012 [0,0,0,1,0,0|2,0,0]=3 819 B10R1.127 CC(=CCNC1COC1)C 2230a_100016991112_100000761012 [0,0,0,1,0,0|3,0,0]=4 820 B10R1.127 CC(=CCNC1COC1)C 34a_100000718196_100009818527 [0,0,0,1,0,0|3,0,0]=4 821 B10R1.127 CC(=CCOC1CCC1)C 34a_100000748187_100000761012 [0,0,0,1,0,0|2,0,0]=3 822 B10R1.127 CC(=CCOC1CCC1)C 34a_100000753907_100000749161 [0,0,0,1,0,0|2,0,0]=3 823 B10R1.127 CC(=CCOC1COC1)C 34a_100000753907_100009818527 [0,0,0,1,0,0|3,0,0]=4 824 B10R1.127 CC(=CCOC1CSC1)C 7a_100000072292_100000761012 [0,0,0,1,0,0|3,0,0]=4 825 B10R1.127 CC(=CCSC1CCC1)C 62a_100000761012_100000749161 [0,0,0,1,0,0|2,0,0]=3 826 B10R1.127 CC(=CCSC1COC1)C 62a_100000761012_100009818527 [0,0,0,1,0,0|3,0,0]=4 827 B10R1.168 CO[C@H]1C[C@@H](C1)NC(=O)C 11a_100121570643_100015343762 [0,0,0,1,0,0|3,0,0]=4 828 B10R1.168 CO[C@H]1C[C@@H](C1)NC(=O)C 1626a_100121570643_100015343762 [0,0,0,1,0,0|3,0,0]=4 829 B10R1.168 CO[C@H]1C[C@@H](C1)NC(=O)C 240690a_100121570643_100015343762 [0,0,0,1,0,0|3,0,0]=4 830 B10R1.168 CO[C@H]1C[C@@H](C1)NC(=O)C 527a_100121570643_100103153847 [0,0,0,1,0,0|3,0,0]=4 831 B10R1.168 CO[C@H]1C[C@@H](C1)NC(C)C 2230a_100121570643_100000210206 [0,0,0,1,0,0|2,0,1]=4 832 B10R1.171 CC1(CC(CCO1)N[13CH3])C 2230a_100000696200_200025704644 [0,0,0,1,0,0|1,0,1]=3 833 B10R1.171 CC1(CC(CCO1)O[13CH3])C 34a_100000693217_200025704644 [0,0,0,1,0,0|2,0,1]=4 834 B10R1.171 CC1(CC(CCO1)O[13CH3])C 7a_100000693217_200025704644 [0,0,0,1,0,0|2,0,1]=4 835 B10R1.171 CC1(CC(CCO1)S[13CH3])C 62a_100010191092_200025704644 [0,0,0,1,0,0|2,0,1]=4 836 B10R1.171 CC1(CC(CCO1)S[13CH3])C 62a_200025704644_100010191092 [0,0,0,1,0,0|2,0,1]=4 837 B10R1.171 CC1(CCCC(C1)O[13CH3])C 7a_100011995757_200025704644 [0,0,0,1,0,0|1,0,2]=4 838 B10R1.171 CNC1CCCC(C1)(C)C 270004a_106832991635_100000031663 [0,0,0,1,0,0|0,0,2]=3 839 B10R1.171 CNC1CCNC(C1)(C)C 270004a_106832991635_100015191244 [0,0,0,1,0,0|1,0,1]=3 840 B10R1.171 CNC1CCOC(C1)(C)C 2230a_100000696200_200000210301 [0,0,0,1,0,0|1,0,1]=3 841 B10R1.171 CNC1CCOC(C1)(C)C 270004a_106832991635_100000755756 [0,0,0,1,0,0|1,0,1]=3 842 B10R1.171 CNC1CCOC(C1)(C)C 34a_100102657272_100010191092 [0,0,0,1,0,0|1,0,1]=3 843 B10R1.171 CNC1CCOC(C1)(C)C 7a_106832991635_100010191092 [0,0,0,1,0,0|1,0,1]=3 844 B10R1.171 COC1CCCC(C1)(C)C 7a_100011995757_200000210301 [0,0,0,1,0,0|1,0,2]=4 845 B10R1.171 COC1CCOC(C1)(C)C 34a_100000693217_200000210301 [0,0,0,1,0,0|2,0,1]=4 846 B10R1.171 COC1CCOC(C1)(C)C 34a_100138415774_100010191092 [0,0,0,1,0,0|2,0,1]=4 847 B10R1.171 COC1CCOC(C1)(C)C 7a_100000693217_200000210301 [0,0,0,1,0,0|2,0,1]=4 848 B10R1.171 CSC1CCOC(C1)(C)C 62a_100010191092_200000210301 [0,0,0,1,0,0|2,0,1]=4 849 B10R1.171 CSC1CCOC(C1)(C)C 62a_200000210301_100010191092 [0,0,0,1,0,0|2,0,1]=4 850 B10R1.197 CCC1CCCN(CC1)C 2230a_100000757272_200000210301 [0,0,0,1,0,0|2,0,1]=4 851 B10R1.197 CCC1CCCN(CC1)C 269982a_100000757272_200000210301 [0,0,0,1,0,0|2,0,1]=4 852 B10R1.197 CCC1CCCN(CC1)C 34a_100000757272_200000210301 [0,0,0,1,0,0|2,0,1]=4 853 B10R1.197 CCC1CCCN(CC1)[13CH3] 2230a_100000757272_200025704644 [0,0,0,1,0,0|2,0,1]=4 854 B10R1.197 CCC1CCCN(CC1)[13CH3] 269982a_100000757272_200025704644 [0,0,0,1,0,0|2,0,1]=4 855 B10R1.197 CCC1CCCN(CC1)[13CH3] 34a_100000757272_200025704644 [0,0,0,1,0,0|2,0,1]=4 856 B10R1.197 COC1CCCN(CC1)C 2230a_100016993962_200000210301 [0,0,0,1,0,0|2,0,1]=4 857 B10R1.197 COC1CCCN(CC1)C 269982a_100016993962_200000210301 [0,0,0,1,0,0|2,0,1]=4 858 B10R1.197 COC1CCCN(CC1)C 34a_100016993962_200000210301 [0,0,0,1,0,0|2,0,1]=4 859 B10R1.197 COC1CCCN(CC1)[13CH3] 2230a_100016993962_200025704644 [0,0,0,1,0,0|2,0,1]=4 860 B10R1.197 COC1CCCN(CC1)[13CH3] 269982a_100016993962_200025704644 [0,0,0,1,0,0|2,0,1]=4 861 B10R1.197 COC1CCCN(CC1)[13CH3] 34a_100016993962_200025704644 [0,0,0,1,0,0|2,0,1]=4 862 B10R1.350 CC(=CCNC1(CC1)C)C 2230a_100000757604_100000761012 [0,0,0,1,0,0|2,0,0]=3 863 B10R1.350 CC(=CCOC1(CC1)C)C 7a_100011725673_100000761012 [0,0,0,1,0,0|2,0,0]=3 864 B10R1.485 CCC1(CCCN(C1)C)C 2230a_100000756310_200000210301 [0,0,0,1,0,0|2,0,1]=4 865 B10R1.485 CCC1(CCCN(C1)C)C 269982a_100000756310_200000210301 [0,0,0,1,0,0|2,0,1]=4 866 B10R1.485 CCC1(CCCN(C1)[13CH3])C 2230a_100000756310_200025704644 [0,0,0,1,0,0|2,0,1]=4 867 B10R1.485 CCC1(CCCN(C1)[13CH3])C 269982a_100000756310_200025704644 [0,0,0,1,0,0|2,0,1]=4 868 B8R0.9 C=C(C)CCC(=O)NC 11a_106832991635_200000688413 [0,0,0,0,1,0|1,0,2]=4 869 B8R0.9 C=C(C)CCC(=O)NC 1626a_100102657272_200000688413 [0,0,0,0,1,0|1,0,2]=4 870 B8R0.9 C=C(C)CCC(=O)NC 240690a_100102657272_200000688413 [0,0,0,0,1,0|1,0,2]=4 871 B8R0.9 C=C(C)CCC(=O)NC 527a_100102657272_200000688413 [0,0,0,0,1,0|1,0,2]=4 872 B8R0.9 C=C(C)CCC(C)NC 270004a_106832991635_100011215600 [0,0,0,0,1,0|0,0,1]=2 873 B8R0.9 C=C(C)CCN(C)CC 2230a_100000225621_100000730704 [0,0,0,0,1,0|2,0,1]=4 874 B8R0.9 C=C(C)CCN(C)CC 269982a_100000225621_100000730704 [0,0,0,0,1,0|2,0,1]=4 875 B8R0.9 C=C(C)CNC(C)CC 2230a_100000209981_100000748629 [0,0,0,0,1,0|2,0,1]=4 876 B8R0.9 C=C(C)COC(C)CC 34a_100000210245_100011215416 [0,0,0,0,1,0|2,0,1]=4 877 B8R0.9 C=C(C)COC(C)CC 7a_100000210228_100000748629 [0,0,0,0,1,0|2,0,1]=4 878 B8R0.9 C=C(C)CSC(C)CC 62a_100000748629_100000758301 [0,0,0,0,1,0|2,0,1]=4 879 B8R0.9 C=C(C)CSC(C)CC 62a_100000758301_100000211660 [0,0,0,0,1,0|2,0,1]=4 880 B8R0.9 C=C(C)CSC(C)OC 62a_100000748629_100009879195 [0,0,0,0,1,0|2,0,1]=4 881 B8R0.9 C=C(C)CSC(C)OC 62a_100009879195_100000211660 [0,0,0,0,1,0|2,0,1]=4 882 B8R0.9 CC(C)CCC(C)N[13CH3] 2230a_100138410893_200025704644 [0,0,0,0,1,0|0,0,1]=2 883 B8R0.9 CC(C)CCC(C)O[13CH3] 34a_100011215350_200025704644 [0,0,0,0,1,0|1,0,1]=3 884 B8R0.9 CC(C)CCC(C)O[13CH3] 7a_100011215350_200025704644 [0,0,0,0,1,0|1,0,1]=3 885 B8R0.9 CC(C)CCC(C)S[13CH3] 62a_100011261404_200025704644 [0,0,0,0,1,0|1,0,1]=3 886 B8R0.9 CC(C)CCC(C)S[13CH3] 62a_200025704644_100011261404 [0,0,0,0,1,0|1,0,1]=3 887 B8R0.9 CCC(=O)CC=C(C)C 1458a_100000210414_100000761012 [0,0,0,0,1,0|2,0,1]=4 888 B8R0.9 CCC(=O)CC=C(C)C 1458a_100011220947_100000210202 [0,0,0,0,1,0|2,0,1]=4 889 B8R0.9 CCC(C)CCC(=O)C 1458a_100000701222_200000210301 [0,0,0,0,1,0|2,0,0]=3 890 B8R0.9 CCC(C)CCC(=O)[13CH3] 1458a_100000701222_200025704644 [0,0,0,0,1,0|2,0,0]=3 891 B8R0.9 CCC(C)CNC(=O)C 11a_100020588543_100015343762 [0,0,0,0,1,0|3,0,0]=4 892 B8R0.9 CCC(C)CNC(=O)C 1626a_100020588543_100015343762 [0,0,0,0,1,0|3,0,0]=4 893 B8R0.9 CCC(C)CNC(=O)C 240690a_100020588543_100015343762 [0,0,0,0,1,0|3,0,0]=4 894 B8R0.9 CCC(C)CNC(=O)C 527a_100020588543_100103153847 [0,0,0,0,1,0|3,0,0]=4 895 B8R0.9 CCC(C)CNC(C)C 2230a_100020588543_100000210206 [0,0,0,0,1,0|2,0,1]=4 896 B8R0.9 CCC(C)CNC(C)C 2230a_100138425928_100000748023 [0,0,0,0,1,0|2,0,1]=4 897 B8R0.9 CCC(C)CNC(C)C 34a_100138425928_100000748023 [0,0,0,0,1,0|2,0,1]=4 898 B8R0.9 CCC(C)COC(C)C 34a_100000212225_100000748023 [0,0,0,0,1,0|2,0,1]=4 899 B8R0.9 CCC(C)CSC(C)C 62a_100000210206_100000748023 [0,0,0,0,1,0|2,0,1]=4 900 B8R0.9 CCC(C)CSC(C)C 62a_100000748023_100000210206 [0,0,0,0,1,0|2,0,1]=4 901 B8R0.9 CCC(C)NCC(C)C 2230a_100000209981_100000210760 [0,0,0,0,1,0|2,0,1]=4 902 B8R0.9 CCC(C)NCC(C)C 2230a_100000210953_100000758301 [0,0,0,0,1,0|2,0,1]=4 903 B8R0.9 CCC(C)NCC(C)C 270004a_100000209981_100000210432 [0,0,0,0,1,0|2,0,1]=4 904 B8R0.9 CCC(C)NCC(C)C 34a_100000210953_100011215416 [0,0,0,0,1,0|2,0,1]=4 905 B8R0.9 CCC(C)OCC(=O)C 34a_100000211253_100011215416 [0,0,0,0,1,0|3,0,0]=4 906 B8R0.9 CCC(C)OCC(C)C 34a_100000210257_100011215416 [0,0,0,0,1,0|2,0,1]=4 907 B8R0.9 CCC(C)OCC(C)C 7a_100000210228_100000210760 [0,0,0,0,1,0|2,0,1]=4 908 B8R0.9 CCC(C)SCC(C)C 62a_100000210624_100000758301 [0,0,0,0,1,0|2,0,1]=4 909 B8R0.9 CCC(C)SCC(C)C 62a_100000758301_100000210760 [0,0,0,0,1,0|2,0,1]=4 910 B8R0.9 CCN(C)CC=C(C)C 2230a_100000225621_100000761012 [0,0,0,0,1,0|2,0,0]=3 911 B8R0.9 CCN(C)CC=C(C)C 269982a_100000225621_100000761012 [0,0,0,0,1,0|2,0,0]=3 912 B8R0.9 CCN(C)CCC(=O)C 1458a_100000755305_200000210301 [0,0,0,0,1,0|3,0,0]=4 913 B8R0.9 CCN(C)CCC(=O)C 269982a_100000225621_100000053229 [0,0,0,0,1,0|3,0,0]=4 914 B8R0.9 CCN(C)CCC(=O)[13CH3] 1458a_100000755305_200025704644 [0,0,0,0,1,0|3,0,0]=4 915 B8R0.9 CCN(C)CCC(C)C 2230a_100000207693_200000210301 [0,0,0,0,1,0|2,0,1]=4 916 B8R0.9 CCN(C)CCC(C)C 2230a_100000225621_100000210312 [0,0,0,0,1,0|2,0,1]=4 917 B8R0.9 CCN(C)CCC(C)C 2230a_100000742789_100000210202 [0,0,0,0,1,0|2,0,1]=4 918 B8R0.9 CCN(C)CCC(C)C 269982a_100000207693_200000210301 [0,0,0,0,1,0|2,0,1]=4 919 B8R0.9 CCN(C)CCC(C)C 269982a_100000225621_100000210312 [0,0,0,0,1,0|2,0,1]=4 920 B8R0.9 CCN(C)CCC(C)C 269982a_100000742789_100000204670 [0,0,0,0,1,0|2,0,1]=4 921 B8R0.9 CCN(C)CCN(C)C 269982a_100000225618_100000204670 [0,0,0,0,1,0|3,0,0]=4 922 B8R0.9 CCN(C)CCN(C)C 269982a_100000225621_100000755713 [0,0,0,0,1,0|3,0,0]=4 923 B8R0.9 CCN(C)CCN(C)C 269982a_100000225870_200000210301 [0,0,0,0,1,0|3,0,0]=4 924 B8R0.9 CCN([13CH3])CCC(C)C 2230a_100000207693_200025704644 [0,0,0,0,1,0|2,0,1]=4 925 B8R0.9 CCN([13CH3])CCC(C)C 269982a_100000207693_200025704644 [0,0,0,0,1,0|2,0,1]=4 926 B8R0.9 CCN([13CH3])CCN(C)C 269982a_100000225870_200025704644 [0,0,0,0,1,0|3,0,0]=4 927 B8R0.9 CC[C@H](C)CNC(C)C 2230a_100138425928_100009816398 [0,0,0,0,1,0|2,0,1]=4 928 B8R0.9 CC[C@H](C)CNC(C)C 34a_100138425928_100009816398 [0,0,0,0,1,0|2,0,1]=4 929 B8R0.9 CC[C@H](C)COC(C)C 34a_100000212225_100009816398 [0,0,0,0,1,0|2,0,1]=4 930 B8R0.9 CC[C@H](C)COC(C)C 7a_100009816381_100000210206 [0,0,0,0,1,0|2,0,1]=4 931 B8R0.9 CC[C@H](C)CSC(C)C 62a_100000210206_100009816398 [0,0,0,0,1,0|2,0,1]=4 932 B8R0.9 CC[C@H](C)CSC(C)C 62a_100009816398_100000210206 [0,0,0,0,1,0|2,0,1]=4 933 B8R0.9 CNC(=O)CC=C(C)C 11a_106832991635_100011220947 [0,0,0,0,1,0|1,0,1]=3 934 B8R0.9 CNC(=O)CC=C(C)C 1626a_100102657272_100011220947 [0,0,0,0,1,0|1,0,1]=3 935 B8R0.9 CNC(=O)CC=C(C)C 240690a_100102657272_100011220947 [0,0,0,0,1,0|1,0,1]=3 936 B8R0.9 CNC(=O)CC=C(C)C 527a_100102657272_100011220947 [0,0,0,0,1,0|1,0,1]=3 937 B8R0.9 CNC(=O)CCC(=O)C 1458a_100011309844_200000210301 [0,0,0,0,1,0|2,0,1]=4 938 B8R0.9 CNC(=O)CCC(=O)[13CH3] 1458a_100011309844_200025704644 [0,0,0,0,1,0|2,0,1]=4 939 B8R0.9 CNC(=O)CCC(C)C 11a_106832991635_100000181311 [0,0,0,0,1,0|1,0,2]=4 940 B8R0.9 CNC(=O)CCC(C)C 1626a_100102657272_100000181311 [0,0,0,0,1,0|1,0,2]=4 941 B8R0.9 CNC(=O)CCC(C)C 240690a_100102657272_100000181311 [0,0,0,0,1,0|1,0,2]=4 942 B8R0.9 CNC(=O)CCC(C)C 527a_100102657272_100000181311 [0,0,0,0,1,0|1,0,2]=4 943 B8R0.9 CNC(=O)CCN(C)C 11a_106832991635_100000689311 [0,0,0,0,1,0|2,0,1]=4 944 B8R0.9 CNC(=O)CCN(C)C 2230a_100000750875_200000210301 [0,0,0,0,1,0|2,0,1]=4 945 B8R0.9 CNC(=O)CCN(C)C 2230a_100102631434_100000737683 [0,0,0,0,1,0|2,0,1]=4 946 B8R0.9 CNC(=O)CCN(C)C 240690a_100102657272_100000689311 [0,0,0,0,1,0|2,0,1]=4 947 B8R0.9 CNC(=O)CCN(C)C 269982a_100000750875_200000210301 [0,0,0,0,1,0|2,0,1]=4 948 B8R0.9 CNC(=O)CCN(C)C 269982a_100102631434_100000737683 [0,0,0,0,1,0|2,0,1]=4 949 B8R0.9 CNC(=O)CCN(C)C 527a_100102657272_100000689311 [0,0,0,0,1,0|2,0,1]=4 950 B8R0.9 CNC(=O)CCN(C)[13CH3] 2230a_100000750875_200025704644 [0,0,0,0,1,0|2,0,1]=4 951 B8R0.9 CNC(=O)CCN(C)[13CH3] 269982a_100000750875_200025704644 [0,0,0,0,1,0|2,0,1]=4 952 B8R0.9 CNC(=O)CC[S+](C)C 11a_106832991635_100009452791 [0,0,0,0,1,0|2,0,1]=4 953 B8R0.9 CNC(=O)CC[S+](C)C 1626a_100102657272_100009452791 [0,0,0,0,1,0|2,0,1]=4 954 B8R0.9 CNC(=O)CC[S+](C)C 240690a_100102657272_100009452791 [0,0,0,0,1,0|2,0,1]=4 955 B8R0.9 CNC(C)CCC(C)C 2230a_100138410893_200000210301 [0,0,0,0,1,0|0,0,1]=2 956 B8R0.9 CNC(C)CCC(C)C 2230a_106832991635_100011261404 [0,0,0,0,1,0|0,0,1]=2 957 B8R0.9 CNC(C)CCC(C)C 270004a_106832991635_100000210476 [0,0,0,0,1,0|0,0,1]=2 958 B8R0.9 CNC(C)CCC(C)C 34a_100102657272_100011261404 [0,0,0,0,1,0|0,0,1]=2 959 B8R0.9 CNC(C)COC(=O)C 270004a_106832991635_100000000629 [0,0,0,0,1,0|2,0,0]=3 960 B8R0.9 COC(C)CCC(C)C 34a_100011215350_200000210301 [0,0,0,0,1,0|1,0,1]=3 961 B8R0.9 COC(C)CCC(C)C 34a_100138415774_100011261404 [0,0,0,0,1,0|1,0,1]=3 962 B8R0.9 COC(C)CCC(C)C 7a_100011215350_200000210301 [0,0,0,0,1,0|1,0,1]=3 963 B8R0.9 COC(C)COC(C)C 34a_100000690652_100000210206 [0,0,0,0,1,0|2,0,1]=4 964 B8R0.9 COC(C)SCC(C)C 62a_100000210624_100009879195 [0,0,0,0,1,0|2,0,1]=4 965 B8R0.9 COC(C)SCC(C)C 62a_100009879195_100000210760 [0,0,0,0,1,0|2,0,1]=4 966 B8R0.9 CO[C@H](C)CNC(=O)C 11a_100020591295_100015343762 [0,0,0,0,1,0|3,0,0]=4 967 B8R0.9 CO[C@H](C)CNC(=O)C 1626a_100020591295_100015343762 [0,0,0,0,1,0|3,0,0]=4 968 B8R0.9 CO[C@H](C)CNC(=O)C 240690a_100020591295_100015343762 [0,0,0,0,1,0|3,0,0]=4 969 B8R0.9 CO[C@H](C)CNC(=O)C 527a_100020591295_100103153847 [0,0,0,0,1,0|3,0,0]=4 970 B8R0.9 CO[C@H](C)CNC(C)C 2230a_100020591295_100000210206 [0,0,0,0,1,0|2,0,1]=4 971 B8R0.9 CSC(C)CCC(C)C 62a_100011261404_200000210301 [0,0,0,0,1,0|1,0,1]=3 972 B8R0.9 CSC(C)CCC(C)C 62a_200000210301_100011261404 [0,0,0,0,1,0|1,0,1]=3 973 B10R0.55 C#CC(C)NCCC=C(C)C 2230a_100000707721_100011217483 [0,0,0,0,0,1|1,0,1]=3 974 B10R0.55 C#CC(C)NCCC=C(C)C 34a_100000707721_100011217483 [0,0,0,0,0,1|1,0,1]=3 975 B10R0.55 C#CC(C)SCCC=C(C)C 62a_200000035995_100011217483 [0,0,0,0,0,1|1,0,1]=3 976 B10R0.55 C#C[C@@H](C)OCCC=C(C)C 34a_100009815206_100011217483 [0,0,0,0,0,1|1,0,1]=3 977 B10R0.55 C#C[C@@H](C)OCCC=C(C)C 7a_100009815206_100011217483 [0,0,0,0,0,1|1,0,1]=3 978 B10R0.55 C=C(C)CCNCC(C)CC 2230a_100020588543_100000730704 [0,0,0,0,0,1|1,0,2]=4 979 B10R0.55 C=C(C)CCNC[C@@H](C)OC 2230a_100020591295_100000730704 [0,0,0,0,0,1|1,0,2]=4 980 B10R0.55 C=C(C)CCOCC(C)CC 34a_100000764851_100000748023 [0,0,0,0,0,1|1,0,2]=4 981 B10R0.55 C=C(C)CCOCC(C)OC 34a_100000690652_100000730704 [0,0,0,0,0,1|1,0,2]=4 982 B10R0.55 C=C(C)CCOC[C@@H](C)CC 34a_100000764851_100009816398 [0,0,0,0,0,1|1,0,2]=4 983 B10R0.55 C=C(C)CCOC[C@@H](C)CC 7a_100009816381_100000730704 [0,0,0,0,0,1|1,0,2]=4 984 B10R0.55 C=C(C)CCSCC(C)CC 62a_100000730704_100000748023 [0,0,0,0,0,1|1,0,2]=4 985 B10R0.55 C=C(C)CCSCC(C)CC 62a_100000748023_100000730704 [0,0,0,0,0,1|1,0,2]=4 986 B10R0.55 C=C(C)CCSC[C@@H](C)CC 62a_100000730704_100009816398 [0,0,0,0,0,1|1,0,2]=4 987 B10R0.55 C=C(C)CCSC[C@@H](C)CC 62a_100009816398_100000730704 [0,0,0,0,0,1|1,0,2]=4 988 B10R0.55 C=C(C)CNCCC(C)CC 2230a_100020591266_100000748629 [0,0,0,0,0,1|1,0,2]=4 989 B10R0.55 C=C(C)COCCC(C)CC 7a_100011215188_100000748629 [0,0,0,0,0,1|1,0,2]=4 990 B10R0.55 C=C(C)COCCC(C)OC 7a_100000764861_100000748629 [0,0,0,0,0,1|1,0,2]=4 991 B10R0.55 C=CC(C)COCC=C(C)C 34a_100011215527_100000761012 [0,0,0,0,0,1|1,0,1]=3 992 B10R0.55 C=CC(C)COCC=C(C)C 7a_100011215527_100000761012 [0,0,0,0,0,1|1,0,1]=3 993 B10R0.55 C=CC(C)OCCC=C(C)C 34a_100000695699_100011217483 [0,0,0,0,0,1|1,0,1]=3 994 B10R0.55 C=CC(C)SCCC=C(C)C 62a_100011215867_100011217483 [0,0,0,0,0,1|1,0,1]=3 995 B10R0.55 C=CC(O)CNCC=C(C)C 34a_100000718196_100000730141 [0,0,0,0,0,1|2,0,1]=4 996 B10R0.55 C=CC(O)COCC=C(C)C 34a_100000753907_100000730141 [0,0,0,0,0,1|2,0,1]=4 997 B10R0.55 C=CC(O)CSCC=C(C)C 62a_100000730141_100000761012 [0,0,0,0,0,1|2,0,1]=4 998 B10R0.55 C=CC(O)CSCC=C(C)C 62a_100000761012_100000730141 [0,0,0,0,0,1|2,0,1]=4 999 B10R0.55 C=C[C@H](N)COCC=C(C)C 34a_100016989147_100000761012 [0,0,0,0,0,1|2,0,1]=4 1000 B10R0.55 CC(=CCCNC(C)C#N)C 2230a_100000737613_100011217483 [0,0,0,0,0,1|2,0,0]=3 1001 B10R0.55 CC(=CCCN[C@H](C)CO)C 2230a_100000737577_100011217483 [0,0,0,0,0,1|2,0,0]=3 1002 B10R0.55 CC(=CCCOC(C)C#N)C 34a_100011218135_100011217483 [0,0,0,0,0,1|2,0,0]=3 1003 B10R0.55 CC(=CCCOC(C)CF)C 34a_100016041109_100011217483 [0,0,0,0,0,1|2,0,0]=3 1004 B10R0.55 CC(=CCCOC(C)CF)C 7a_100016041109_100011217483 [0,0,0,0,0,1|2,0,0]=3 1005 B10R0.55 CC(=CCCOC(C)CN)C 34a_100000210904_100011217483 [0,0,0,0,0,1|2,0,0]=3 1006 B10R0.55 CC(=CCCSC(C)C#N)C 62a_100000703298_100011217483 [0,0,0,0,0,1|2,0,0]=3 1007 B10R0.55 CC(=CCCSC(C)C#N)C 62a_100011217483_100000703298 [0,0,0,0,0,1|2,0,0]=3 1008 B10R0.55 CC(=CCCSC(C)CO)C 62a_100012180447_100011217483 [0,0,0,0,0,1|2,0,0]=3 1009 B10R0.55 CC(=CCCSC(F)C#N)C 62a_100011217483_200000117898 [0,0,0,0,0,1|3,0,0]=4 1010 B10R0.55 CC(=CCCSC(F)C#N)C 62a_200000117898_100011217483 [0,0,0,0,0,1|3,0,0]=4 1011 B10R0.55 CC(=CCCS[C@H](C)CO)C 62a_100011217483_100016084084 [0,0,0,0,0,1|2,0,0]=3 1012 B10R0.55 CC(=CCCS[C@H](C)CO)C 62a_100016084084_100011217483 [0,0,0,0,0,1|2,0,0]=3 1013 B10R0.55 CC(=CCNCC(C)CO)C 34a_100000744482_100000761012 [0,0,0,0,0,1|2,0,0]=3 1014 B10R0.55 CC(=CCNCC(O)CO)C 34a_100000718196_100011219619 [0,0,0,0,0,1|3,0,0]=4 1015 B10R0.55 CC(=CCNC[C@@H](C)CO)C 34a_100000718196_100000059175 [0,0,0,0,0,1|2,0,0]=3 1016 B10R0.55 CC(=CCNC[C@@H](F)CO)C 34a_100015665980_100000761012 [0,0,0,0,0,1|3,0,0]=4 1017 B10R0.55 CC(=CCNC[C@@H](O)CF)C 34a_100000718196_100015614560 [0,0,0,0,0,1|3,0,0]=4 1018 B10R0.55 CC(=CCNC[C@@H](O)CO)C 34a_100000718196_100009815848 [0,0,0,0,0,1|3,0,0]=4 1019 B10R0.55 CC(=CCNC[C@H](O)CO)C 2230a_100020644852_100000761012 [0,0,0,0,0,1|3,0,0]=4 1020 B10R0.55 CC(=CCOCC(C)CN)C 34a_100000744482_100000761012 [0,0,0,0,0,1|2,0,0]=3 1021 B10R0.55 CC(=CCOCC(Cl)CCl)C 34a_100000033668_100000761012 [0,0,0,0,0,1|3,0,0]=4 1022 B10R0.55 CC(=CCOCC(O)CO)C 34a_100000753907_100011219619 [0,0,0,0,0,1|3,0,0]=4 1023 B10R0.55 CC(=CCOC[C@@H](C)CO)C 34a_100000753907_100000059175 [0,0,0,0,0,1|2,0,0]=3 1024 B10R0.55 CC(=CCOC[C@@H](O)CF)C 34a_100000753907_100015614560 [0,0,0,0,0,1|3,0,0]=4 1025 B10R0.55 CC(=CCOC[C@@H](O)CO)C 34a_100000753907_100009815848 [0,0,0,0,0,1|3,0,0]=4 1026 B10R0.55 CC(=CCOC[C@H](F)CN)C 34a_100015665980_100000761012 [0,0,0,0,0,1|3,0,0]=4 1027 B10R0.55 CC(=CCSCC(O)CO)C 62a_100000761012_100011219619 [0,0,0,0,0,1|3,0,0]=4 1028 B10R0.55 CC(=CCSCC(O)CO)C 62a_100011219619_100000761012 [0,0,0,0,0,1|3,0,0]=4 1029 B10R0.55 CC(=CCSC[C@@H](C)CO)C 62a_100000059175_100000761012 [0,0,0,0,0,1|2,0,0]=3 1030 B10R0.55 CC(=CCSC[C@@H](C)CO)C 62a_100000761012_100000059175 [0,0,0,0,0,1|2,0,0]=3 1031 B10R0.55 CC(=CCSC[C@@H](O)CF)C 62a_100000761012_100015614560 [0,0,0,0,0,1|3,0,0]=4 1032 B10R0.55 CC(=CCSC[C@@H](O)CF)C 62a_100015614560_100000761012 [0,0,0,0,0,1|3,0,0]=4 1033 B10R0.55 CC(=CCSC[C@@H](O)CO)C 62a_100000761012_100009815848 [0,0,0,0,0,1|3,0,0]=4 1034 B10R0.55 CC(=CCSC[C@@H](O)CO)C 62a_100009815848_100000761012 [0,0,0,0,0,1|3,0,0]=4 1035 B10R0.55 CCC(=O)COCC=C(C)C 34a_100000725409_100000761012 [0,0,0,0,0,1|2,0,1]=4 1036 B10R0.55 CCC(=O)CSCC=C(C)C 62a_100000747405_100000761012 [0,0,0,0,0,1|2,0,1]=4 1037 B10R0.55 CCC(=O)CSCC=C(C)C 62a_100000761012_100000747405 [0,0,0,0,0,1|2,0,1]=4 1038 B10R0.55 CCC(C)CCCOC(C)C 7a_100011216074_100000210206 [0,0,0,0,0,1|1,0,2]=4 1039 B10R0.55 CCC(C)CCNCC(C)C 2230a_100020591266_100000210760 [0,0,0,0,0,1|1,0,2]=4 1040 B10R0.55 CCC(C)CCNCC(C)C 270004a_100020591266_100000210432 [0,0,0,0,0,1|1,0,2]=4 1041 B10R0.55 CCC(C)CCOCC(C)C 7a_100011215188_100000210760 [0,0,0,0,0,1|1,0,2]=4 1042 B10R0.55 CCC(C)CNCC=C(C)C 2230a_100020588543_100000761012 [0,0,0,0,0,1|1,0,0]=2 1043 B10R0.55 CCC(C)CNCC=C(C)C 270004a_100000718196_100000243153 [0,0,0,0,0,1|1,0,0]=2 1044 B10R0.55 CCC(C)CNCC=C(C)C 34a_100000718196_100000748023 [0,0,0,0,0,1|1,0,0]=2 1045 B10R0.55 CCC(C)CNCCC(C)C 2230a_100020588543_100000210312 [0,0,0,0,0,1|1,0,2]=4 1046 B10R0.55 CCC(C)CNCCC(C)C 269862a_100020588543_100000185833 [0,0,0,0,0,1|1,0,2]=4 1047 B10R0.55 CCC(C)CNCCC(C)C 270004a_100000210545_100000243153 [0,0,0,0,0,1|1,0,2]=4 1048 B10R0.55 CCC(C)CNCCN(C)C 270004a_100000210585_100000243153 [0,0,0,0,0,1|2,0,1]=4 1049 B10R0.55 CCC(C)CNCOC(C)C 2230a_100020588543_100000709892 [0,0,0,0,0,1|2,0,1]=4 1050 B10R0.55 CCC(C)COCC=C(C)C 34a_100000753907_100000748023 [0,0,0,0,0,1|1,0,0]=2 1051 B10R0.55 CCC(C)COCCC(=O)C 34a_100000759926_100000748023 [0,0,0,0,0,1|2,0,1]=4 1052 B10R0.55 CCC(C)COCCC(=O)C 7a_100000759926_100000748023 [0,0,0,0,0,1|2,0,1]=4 1053 B10R0.55 CCC(C)COCCC(C)C 34a_100000210254_100000748023 [0,0,0,0,0,1|1,0,2]=4 1054 B10R0.55 CCC(C)COCCC(C)C 7a_100000210254_100000748023 [0,0,0,0,0,1|1,0,2]=4 1055 B10R0.55 CCC(C)CSCC=C(C)C 62a_100000748023_100000761012 [0,0,0,0,0,1|1,0,0]=2 1056 B10R0.55 CCC(C)CSCC=C(C)C 62a_100000761012_100000748023 [0,0,0,0,0,1|1,0,0]=2 1057 B10R0.55 CCC(C)CSCCC(=O)C 62a_100000053229_100000748023 [0,0,0,0,0,1|2,0,1]=4 1058 B10R0.55 CCC(C)CSCCC(=O)C 62a_100000748023_100000053229 [0,0,0,0,0,1|2,0,1]=4 1059 B10R0.55 CCC(C)CSCCC(C)C 62a_100000210312_100000748023 [0,0,0,0,0,1|1,0,2]=4 1060 B10R0.55 CCC(C)CSCCC(C)C 62a_100000748023_100000210312 [0,0,0,0,0,1|1,0,2]=4 1061 B10R0.55 CCC(C)CSCCN(C)C 62a_100000748023_100000755713 [0,0,0,0,0,1|2,0,1]=4 1062 B10R0.55 CCC(C)CSCOC(=O)C 62a_100000076356_100000748023 [0,0,0,0,0,1|3,0,0]=4 1063 B10R0.55 CCC(C)CSCOC(=O)C 62a_100000748023_100000076356 [0,0,0,0,0,1|3,0,0]=4 1064 B10R0.55 CCC(C)CSCOC(C)C 62a_100000709892_100000748023 [0,0,0,0,0,1|2,0,1]=4 1065 B10R0.55 CCC(C)CSCOC(C)C 62a_100000748023_100000709892 [0,0,0,0,0,1|2,0,1]=4 1066 B10R0.55 CCC(C)NCCC=C(C)C 2230a_100000209981_100011217483 [0,0,0,0,0,1|1,0,0]=2 1067 B10R0.55 CCC(C)NCCC=C(F)F 2230a_100000209981_200009816681 [0,0,0,0,0,1|3,0,0]=4 1068 B10R0.55 CCC(C)NCCCC(C)C 2230a_100000209981_100011214892 [0,0,0,0,0,1|1,0,2]=4 1069 B10R0.55 CCC(C)NCCCC(C)C 2230a_200000737386_100000758301 [0,0,0,0,0,1|1,0,2]=4 1070 B10R0.55 CCC(C)NCCCC(C)C 34a_200000737386_100011215416 [0,0,0,0,0,1|1,0,2]=4 1071 B10R0.55 CCC(C)NCCNC(=O)C 2230a_100000209853_100000758301 [0,0,0,0,0,1|3,0,0]=4 1072 B10R0.55 CCC(C)NCCNC(=O)C 2230a_100000209981_100000189650 [0,0,0,0,0,1|3,0,0]=4 1073 B10R0.55 CCC(C)NCCOC(C)C 2230a_100000209981_100000211751 [0,0,0,0,0,1|2,0,1]=4 1074 B10R0.55 CCC(C)NCCOC(C)C 2230a_100000701111_100000758301 [0,0,0,0,0,1|2,0,1]=4 1075 B10R0.55 CCC(C)NCCOC(C)C 34a_100000701111_100011215416 [0,0,0,0,0,1|2,0,1]=4 1076 B10R0.55 CCC(C)NCCSC(C)C 2230a_100000209981_100000730970 [0,0,0,0,0,1|2,0,1]=4 1077 B10R0.55 CCC(C)NCCSC(C)C 2230a_100000731138_100000758301 [0,0,0,0,0,1|2,0,1]=4 1078 B10R0.55 CCC(C)NCCSC(C)C 34a_100000731138_100011215416 [0,0,0,0,0,1|2,0,1]=4 1079 B10R0.55 CCC(C)NN=CC=C(C)C 4a_100000718999_100011215525 [0,0,0,0,0,1|2,0,1]=4 1080 B10R0.55 CCC(C)OCCC=C(C)C 7a_100000210228_100011217483 [0,0,0,0,0,1|1,0,0]=2 1081 B10R0.55 CCC(C)OCCC=C(F)F 7a_100000210228_200009816681 [0,0,0,0,0,1|3,0,0]=4 1082 B10R0.55 CCC(C)OCCCC(=O)C 34a_100000759063_100011215416 [0,0,0,0,0,1|2,0,1]=4 1083 B10R0.55 CCC(C)OCCCC(=O)C 7a_100000210228_100011215641 [0,0,0,0,0,1|2,0,1]=4 1084 B10R0.55 CCC(C)OCCCC(=O)C 7a_100000759063_100000758301 [0,0,0,0,0,1|2,0,1]=4 1085 B10R0.55 CCC(C)OCCCC(C)C 34a_100000210774_100011215416 [0,0,0,0,0,1|1,0,2]=4 1086 B10R0.55 CCC(C)OCCCC(C)C 7a_100000210228_100011214892 [0,0,0,0,0,1|1,0,2]=4 1087 B10R0.55 CCC(C)OCCCC(C)C 7a_100000210774_100000758301 [0,0,0,0,0,1|1,0,2]=4 1088 B10R0.55 CCC(C)OCCCN(C)C 7a_100000210228_100000757444 [0,0,0,0,0,1|2,0,1]=4 1089 B10R0.55 CCC(C)OCCNC(=O)C 34a_100000158858_100011215416 [0,0,0,0,0,1|3,0,0]=4 1090 B10R0.55 CCC(C)OCCNC(=O)C 7a_100000210228_100000189650 [0,0,0,0,0,1|3,0,0]=4 1091 B10R0.55 CCC(C)OCCNC(C)C 34a_100000224655_100011215416 [0,0,0,0,0,1|2,0,1]=4 1092 B10R0.55 CCC(C)OCCOC(=O)C 7a_100000210228_100009814007 [0,0,0,0,0,1|3,0,0]=4 1093 B10R0.55 CCC(C)OCCOC(C)C 34a_100000211219_100011215416 [0,0,0,0,0,1|2,0,1]=4 1094 B10R0.55 CCC(C)OCCOC(C)C 7a_100000210228_100000211751 [0,0,0,0,0,1|2,0,1]=4 1095 B10R0.55 CCC(C)OCCOC(C)C 7a_100000211219_100000758301 [0,0,0,0,0,1|2,0,1]=4 1096 B10R0.55 CCC(C)OCCSC(C)C 34a_200011212901_100011215416 [0,0,0,0,0,1|2,0,1]=4 1097 B10R0.55 CCC(C)OCCSC(C)C 7a_100000210228_100000730970 [0,0,0,0,0,1|2,0,1]=4 1098 B10R0.55 CCC(C)OCCSC(C)C 7a_200011212901_100000758301 [0,0,0,0,0,1|2,0,1]=4 1099 B10R0.55 CCC(C)SCCC=C(C)C 62a_100000758301_100011217483 [0,0,0,0,0,1|1,0,0]=2 1100 B10R0.55 CCC(C)SCCC=C(C)C 62a_100011217483_100000758301 [0,0,0,0,0,1|1,0,0]=2 1101 B10R0.55 CCC(C)SCCC=C(F)F 62a_100000758301_200009816681 [0,0,0,0,0,1|3,0,0]=4 1102 B10R0.55 CCC(C)SCCC=C(F)F 62a_200009816681_100000758301 [0,0,0,0,0,1|3,0,0]=4 1103 B10R0.55 CCC(C)SCCCC(=O)C 62a_100000758301_100011215641 [0,0,0,0,0,1|2,0,1]=4 1104 B10R0.55 CCC(C)SCCCC(=O)C 62a_100011215641_100000758301 [0,0,0,0,0,1|2,0,1]=4 1105 B10R0.55 CCC(C)SCCCC(C)C 62a_100000758301_100011214892 [0,0,0,0,0,1|1,0,2]=4 1106 B10R0.55 CCC(C)SCCCC(C)C 62a_100011214892_100000758301 [0,0,0,0,0,1|1,0,2]=4 1107 B10R0.55 CCC(C)SCCCN(C)C 62a_100000758301_100000757444 [0,0,0,0,0,1|2,0,1]=4 1108 B10R0.55 CCC(C)SCCNC(=O)C 62a_100000189650_100000758301 [0,0,0,0,0,1|3,0,0]=4 1109 B10R0.55 CCC(C)SCCNC(=O)C 62a_100000758301_100000189650 [0,0,0,0,0,1|3,0,0]=4 1110 B10R0.55 CCC(C)SCCOC(=O)C 62a_100000758301_100009814007 [0,0,0,0,0,1|3,0,0]=4 1111 B10R0.55 CCC(C)SCCOC(=O)C 62a_100009814007_100000758301 [0,0,0,0,0,1|3,0,0]=4 1112 B10R0.55 CCC(C)SCCOC(C)C 62a_100000211751_100000758301 [0,0,0,0,0,1|2,0,1]=4 1113 B10R0.55 CCC(C)SCCOC(C)C 62a_100000758301_100000211751 [0,0,0,0,0,1|2,0,1]=4 1114 B10R0.55 CCC(C)SCCSC(C)C 62a_100000730970_100000758301 [0,0,0,0,0,1|2,0,1]=4 1115 B10R0.55 CCC(C)SCCSC(C)C 62a_100000758301_100000730970 [0,0,0,0,0,1|2,0,1]=4 1116 B10R0.55 CCC(O)CNCC=C(C)C 2230a_100011218483_100000761012 [0,0,0,0,0,1|2,0,0]=3 1117 B10R0.55 CCC(O)CNCC=C(C)C 34a_100000718196_100011218378 [0,0,0,0,0,1|2,0,0]=3 1118 B10R0.55 CCC(O)COCC=C(C)C 34a_100000753907_100011218378 [0,0,0,0,0,1|2,0,0]=3 1119 B10R0.55 CCC(O)CSCC=C(C)C 62a_100000761012_100011218378 [0,0,0,0,0,1|2,0,0]=3 1120 B10R0.55 CCC(O)CSCC=C(C)C 62a_100011218378_100000761012 [0,0,0,0,0,1|2,0,0]=3 1121 B10R0.55 CC[C@H](C)CNCC=C(C)C 34a_100000718196_100009816398 [0,0,0,0,0,1|1,0,0]=2 1122 B10R0.55 CC[C@H](C)COCC=C(C)C 34a_100000753907_100009816398 [0,0,0,0,0,1|1,0,0]=2 1123 B10R0.55 CC[C@H](C)COCC=C(C)C 7a_100009816381_100000761012 [0,0,0,0,0,1|1,0,0]=2 1124 B10R0.55 CC[C@H](C)COCCC(=O)C 34a_100000759926_100009816398 [0,0,0,0,0,1|2,0,1]=4 1125 B10R0.55 CC[C@H](C)COCCC(=O)C 7a_100000759926_100009816398 [0,0,0,0,0,1|2,0,1]=4 1126 B10R0.55 CC[C@H](C)COCCC(=O)C 7a_100009816381_100000053229 [0,0,0,0,0,1|2,0,1]=4 1127 B10R0.55 CC[C@H](C)COCCC(C)C 34a_100000210254_100009816398 [0,0,0,0,0,1|1,0,2]=4 1128 B10R0.55 CC[C@H](C)COCCC(C)C 7a_100000210254_100009816398 [0,0,0,0,0,1|1,0,2]=4 1129 B10R0.55 CC[C@H](C)COCCC(C)C 7a_100009816381_100000210626 [0,0,0,0,0,1|1,0,2]=4 1130 B10R0.55 CC[C@H](C)COCCN(C)C 7a_100009816381_100000755713 [0,0,0,0,0,1|2,0,1]=4 1131 B10R0.55 CC[C@H](C)CSCC=C(C)C 62a_100000761012_100009816398 [0,0,0,0,0,1|1,0,0]=2 1132 B10R0.55 CC[C@H](C)CSCC=C(C)C 62a_100009816398_100000761012 [0,0,0,0,0,1|1,0,0]=2 1133 B10R0.55 CC[C@H](C)CSCCC(=O)C 62a_100000053229_100009816398 [0,0,0,0,0,1|2,0,1]=4 1134 B10R0.55 CC[C@H](C)CSCCC(=O)C 62a_100009816398_100000053229 [0,0,0,0,0,1|2,0,1]=4 1135 B10R0.55 CC[C@H](C)CSCCC(C)C 62a_100000210312_100009816398 [0,0,0,0,0,1|1,0,2]=4 1136 B10R0.55 CC[C@H](C)CSCCC(C)C 62a_100009816398_100000210312 [0,0,0,0,0,1|1,0,2]=4 1137 B10R0.55 CC[C@H](C)CSCCN(C)C 62a_100009816398_100000755713 [0,0,0,0,0,1|2,0,1]=4 1138 B10R0.55 CC[C@H](C)CSCOC(=O)C 62a_100000076356_100009816398 [0,0,0,0,0,1|3,0,0]=4 1139 B10R0.55 CC[C@H](C)CSCOC(=O)C 62a_100009816398_100000076356 [0,0,0,0,0,1|3,0,0]=4 1140 B10R0.55 CC[C@H](C)CSCOC(C)C 62a_100000709892_100009816398 [0,0,0,0,0,1|2,0,1]=4 1141 B10R0.55 CC[C@H](C)CSCOC(C)C 62a_100009816398_100000709892 [0,0,0,0,0,1|2,0,1]=4 1142 B10R0.55 CNC(=O)CNCC=C(C)C 2230a_100000693194_100000761012 [0,0,0,0,0,1|1,0,1]=3 1143 B10R0.55 CNC(=O)CNCC=C(C)C 34a_100000718196_100000183359 [0,0,0,0,0,1|1,0,1]=3 1144 B10R0.55 CNC(=O)COCC=C(C)C 34a_100000750040_100000761012 [0,0,0,0,0,1|1,0,1]=3 1145 B10R0.55 CNC(=O)COCC=C(C)C 34a_100000753907_100000183359 [0,0,0,0,0,1|1,0,1]=3 1146 B10R0.55 CNC(=O)CSCC=C(C)C 62a_100000183359_100000761012 [0,0,0,0,0,1|1,0,1]=3 1147 B10R0.55 CNC(=O)CSCC=C(C)C 62a_100000761012_100000183359 [0,0,0,0,0,1|1,0,1]=3 1148 B10R0.55 CNC(C)CCOCC(C)C 270004a_106832991635_200011216429 [0,0,0,0,0,1|0,0,2]=3 1149 B10R0.55 COC(=O)CNCC=C(C)C 34a_100000718196_100000747449 [0,0,0,0,0,1|2,0,1]=4 1150 B10R0.55 COC(=O)COCC=C(C)C 34a_100000753907_100000747449 [0,0,0,0,0,1|2,0,1]=4 1151 B10R0.55 COC(=O)CSCC=C(C)C 62a_100000747449_100000761012 [0,0,0,0,0,1|2,0,1]=4 1152 B10R0.55 COC(=O)CSCC=C(C)C 62a_100000761012_100000747449 [0,0,0,0,0,1|2,0,1]=4 1153 B10R0.55 COC(C)CCOCC(C)C 7a_100000764861_100000210760 [0,0,0,0,0,1|1,0,2]=4 1154 B10R0.55 COC(C)COCC=C(C)C 34a_100000690652_100000761012 [0,0,0,0,0,1|1,0,0]=2 1155 B10R0.55 COC(C)COCCC(C)C 34a_100000690652_100000210312 [0,0,0,0,0,1|1,0,2]=4 1156 B10R0.55 COC(C)COCOC(=O)C 34a_100000690652_100009813279 [0,0,0,0,0,1|3,0,0]=4 1157 B10R0.55 COC(C)COCOC(C)C 34a_100000690652_100000709892 [0,0,0,0,0,1|2,0,1]=4 1158 B10R0.55 COC(C)SCCC=C(C)C 62a_100009879195_100011217483 [0,0,0,0,0,1|1,0,0]=2 1159 B10R0.55 COC(C)SCCC=C(C)C 62a_100011217483_100009879195 [0,0,0,0,0,1|1,0,0]=2 1160 B10R0.55 COC(C)SCCC=C(F)F 62a_100009879195_200009816681 [0,0,0,0,0,1|3,0,0]=4 1161 B10R0.55 COC(C)SCCC=C(F)F 62a_200009816681_100009879195 [0,0,0,0,0,1|3,0,0]=4 1162 B10R0.55 COC(C)SCCCC(=O)C 62a_100009879195_100011215641 [0,0,0,0,0,1|2,0,1]=4 1163 B10R0.55 COC(C)SCCCC(=O)C 62a_100011215641_100009879195 [0,0,0,0,0,1|2,0,1]=4 1164 B10R0.55 COC(C)SCCCC(C)C 62a_100009879195_100011214892 [0,0,0,0,0,1|1,0,2]=4 1165 B10R0.55 COC(C)SCCCC(C)C 62a_100011214892_100009879195 [0,0,0,0,0,1|1,0,2]=4 1166 B10R0.55 COC(C)SCCCN(C)C 62a_100009879195_100000757444 [0,0,0,0,0,1|2,0,1]=4 1167 B10R0.55 COC(C)SCCNC(=O)C 62a_100000189650_100009879195 [0,0,0,0,0,1|3,0,0]=4 1168 B10R0.55 COC(C)SCCNC(=O)C 62a_100009879195_100000189650 [0,0,0,0,0,1|3,0,0]=4 1169 B10R0.55 COC(C)SCCOC(=O)C 62a_100009814007_100009879195 [0,0,0,0,0,1|3,0,0]=4 1170 B10R0.55 COC(C)SCCOC(=O)C 62a_100009879195_100009814007 [0,0,0,0,0,1|3,0,0]=4 1171 B10R0.55 COC(C)SCCOC(C)C 62a_100000211751_100009879195 [0,0,0,0,0,1|2,0,1]=4 1172 B10R0.55 COC(C)SCCOC(C)C 62a_100009879195_100000211751 [0,0,0,0,0,1|2,0,1]=4 1173 B10R0.55 COC(C)SCCSC(C)C 62a_100000730970_100009879195 [0,0,0,0,0,1|2,0,1]=4 1174 B10R0.55 COC(C)SCCSC(C)C 62a_100009879195_100000730970 [0,0,0,0,0,1|2,0,1]=4 1175 B10R0.55 CO[C@H](C)CNCC=C(C)C 2230a_100020591295_100000761012 [0,0,0,0,0,1|1,0,0]=2 1176 B10R0.55 CO[C@H](C)CNCCC(C)C 2230a_100020591295_100000210312 [0,0,0,0,0,1|1,0,2]=4 1177 B10R0.55 CO[C@H](C)CNCCC(C)C 269862a_100020591295_100000185833 [0,0,0,0,0,1|1,0,2]=4 1178 B10R0.55 CO[C@H](C)CNCOC(C)C 2230a_100020591295_100000709892 [0,0,0,0,0,1|2,0,1]=4 1179 B7R0.1 C/C=C/CCOCC 34a_100016278192_100000210202 [2,0,0,0,0,0|2,0,0]=4 1180 B7R0.1 C/C=C/COCCC 34a_100000210258_100102629194 [2,0,0,0,0,0|2,0,0]=4 1181 B7R0.1 C/C=C/COCCC 34a_100016270725_100000210303 [2,0,0,0,0,0|2,0,0]=4 1182 B7R0.1 C/C=C/COCSC 34a_100016270725_100011218213 [2,0,0,0,0,0|2,0,0]=4 1183 B7R0.1 C/C=C/CSCCC 62a_100000210303_100102629194 [2,0,0,0,0,0|2,0,0]=4 1184 B7R0.1 C/C=C/CSCCC 62a_100102629194_100000210303 [2,0,0,0,0,0|2,0,0]=4 1185 B7R0.1 C/C=C/CSCOC 62a_100000766300_100102629194 [2,0,0,0,0,0|2,0,0]=4 1186 B7R0.1 C/C=C/CSCOC 62a_100102629194_100000766300 [2,0,0,0,0,0|2,0,0]=4 1187 B7R0.1 C/C=C/CSCSC 62a_100011218213_100102629194 [2,0,0,0,0,0|2,0,0]=4 1188 B7R0.1 C/C=C/CSCSC 62a_100102629194_100011218213 [2,0,0,0,0,0|2,0,0]=4 1189 B7R0.1 C=CCCCCNC 2230a_100000703577_200000210301 [2,0,0,0,0,0|0,0,2]=4 1190 B7R0.1 C=CCCCCNC 2230a_106832991635_100011215482 [2,0,0,0,0,0|0,0,2]=4 1191 B7R0.1 C=CCCCCNC 34a_100000703577_200000210301 [2,0,0,0,0,0|0,0,2]=4 1192 B7R0.1 C=CCCCCNC 34a_100102657272_100011215482 [2,0,0,0,0,0|0,0,2]=4 1193 B7R0.1 C=CCCCCNC 7a_106832991635_100011215482 [2,0,0,0,0,0|0,0,2]=4 1194 B7R0.1 C=CCCCCN[13CH3] 2230a_100000703577_200025704644 [2,0,0,0,0,0|0,0,2]=4 1195 B7R0.1 C=CCCCCN[13CH3] 34a_100000703577_200025704644 [2,0,0,0,0,0|0,0,2]=4 1196 B7R0.1 C=COCCCNC 2230a_100000210767_200000210301 [2,0,0,0,0,0|1,0,1]=4 1197 B7R0.1 C=COCCCNC 34a_100000210767_200000210301 [2,0,0,0,0,0|1,0,1]=4 1198 B7R0.1 C=COCCCN[13CH3] 2230a_100000210767_200025704644 [2,0,0,0,0,0|1,0,1]=4 1199 B7R0.1 C=COCCCN[13CH3] 34a_100000210767_200025704644 [2,0,0,0,0,0|1,0,1]=4 1200 B7R0.1 CC/C=C\CCNC 2230a_106832991635_100015370543 [2,0,0,0,0,0|0,0,2]=4 1201 B7R0.1 CC/C=C\CCNC 34a_100102657272_100015370543 [2,0,0,0,0,0|0,0,2]=4 1202 B7R0.1 CC/C=C\CCNC 7a_106832991635_100015370543 [2,0,0,0,0,0|0,0,2]=4 1203 B7R0.1 CC=CCCCOC 34a_100020645299_200000210301 [2,0,0,0,0,0|1,0,0]=3 1204 B7R0.1 CC=CCCCO[13CH3] 34a_100020645299_200025704644 [2,0,0,0,0,0|1,0,0]=3 1205 B7R0.1 CC=CCOCCC 34a_100000210258_100000070051 [2,0,0,0,0,0|2,0,0]=4 1206 B7R0.1 CC=CCSCCC 62a_100000070051_100000210303 [2,0,0,0,0,0|2,0,0]=4 1207 B7R0.1 CC=CCSCCC 62a_100000210303_100000070051 [2,0,0,0,0,0|2,0,0]=4 1208 B7R0.1 CC=CCSCOC 62a_100000070051_100000766300 [2,0,0,0,0,0|2,0,0]=4 1209 B7R0.1 CC=CCSCOC 62a_100000766300_100000070051 [2,0,0,0,0,0|2,0,0]=4 1210 B7R0.1 CC=CCSCSC 62a_100000070051_100011218213 [2,0,0,0,0,0|2,0,0]=4 1211 B7R0.1 CC=CCSCSC 62a_100011218213_100000070051 [2,0,0,0,0,0|2,0,0]=4 1212 B7R0.1 CCCCCCNC 2230a_100000210581_200000210301 [2,0,0,0,0,0|0,0,2]=4 1213 B7R0.1 CCCCCCNC 2230a_106832991635_100000210314 [2,0,0,0,0,0|0,0,2]=4 1214 B7R0.1 CCCCCCNC 34a_100102657272_100000210314 [2,0,0,0,0,0|0,0,2]=4 1215 B7R0.1 CCCCCCNC 7a_106832991635_100000210314 [2,0,0,0,0,0|0,0,2]=4 1216 B7R0.1 CCCCCCN[13CH3] 2230a_100000210581_200025704644 [2,0,0,0,0,0|0,0,2]=4 1217 B7R0.1 CCOCCCNC 2230a_100000210961_200000210301 [2,0,0,0,0,0|1,0,1]=4 1218 B7R0.1 CCOCCCNC 2230a_106832991635_100012232248 [2,0,0,0,0,0|1,0,1]=4 1219 B7R0.1 CCOCCCNC 34a_100000210961_200000210301 [2,0,0,0,0,0|1,0,1]=4 1220 B7R0.1 CCOCCCNC 34a_100000213112_100000210202 [2,0,0,0,0,0|1,0,1]=4 1221 B7R0.1 CCOCCCNC 34a_100102657272_100012232248 [2,0,0,0,0,0|1,0,1]=4 1222 B7R0.1 CCOCCCNC 7a_106832991635_100012232248 [2,0,0,0,0,0|1,0,1]=4 1223 B7R0.1 CCOCCCN[13CH3] 2230a_100000210961_200025704644 [2,0,0,0,0,0|1,0,1]=4 1224 B7R0.1 CCOCCCN[13CH3] 34a_100000210961_200025704644 [2,0,0,0,0,0|1,0,1]=4 1225 B7R0.1 CNCCCCC=O 2230a_106832991635_100000139335 [2,0,0,0,0,0|1,0,1]=4 1226 B7R0.1 CNCCCCC=O 7a_106832991635_100000139335 [2,0,0,0,0,0|1,0,1]=4 1227 B7R0.1 CNCCCCOC 2230a_106832991635_100000730899 [2,0,0,0,0,0|1,0,1]=4 1228 B7R0.1 CNCCCCOC 34a_100102657272_100000755781 [2,0,0,0,0,0|1,0,1]=4 1229 B7R0.1 CNCCCCOC 7a_106832991635_100000730899 [2,0,0,0,0,0|1,0,1]=4 1230 B7R0.3 C/C=C/CN(C)CC 269982a_100000225621_100102629194 [2,0,0,0,0,0|2,0,0]=4 1231 B7R0.3 C=CCCC(=O)NC 11a_106832991635_100000749702 [2,0,0,0,0,0|1,0,1]=4 1232 B7R0.3 C=CCCC(=O)NC 1626a_100102657272_100000749702 [2,0,0,0,0,0|1,0,1]=4 1233 B7R0.3 C=CCCC(=O)NC 240690a_100102657272_100000749702 [2,0,0,0,0,0|1,0,1]=4 1234 B7R0.3 C=CCCC(=O)NC 527a_100102657272_100000749702 [2,0,0,0,0,0|1,0,1]=4 1235 B7R0.3 C=CCCC(C)NC 270004a_106832991635_100000762624 [2,0,0,0,0,0|0,0,0]=2 1236 B7R0.3 C=CCCC(C)OC 34a_100000765329_200000210301 [2,0,0,0,0,0|1,0,0]=3 1237 B7R0.3 C=CCCC(C)OC 7a_100000765329_200000210301 [2,0,0,0,0,0|1,0,0]=3 1238 B7R0.3 C=CCCC(C)O[13CH3] 34a_100000765329_200025704644 [2,0,0,0,0,0|1,0,0]=3 1239 B7R0.3 C=CCCC(C)O[13CH3] 7a_100000765329_200025704644 [2,0,0,0,0,0|1,0,0]=3 1240 B7R0.3 C=CCCN(C)CC 2230a_100000225621_100000754431 [2,0,0,0,0,0|2,0,0]=4 1241 B7R0.3 C=CCCN(C)CC 2230a_100020639649_100000210202 [2,0,0,0,0,0|2,0,0]=4 1242 B7R0.3 C=CCCN(C)CC 269982a_100000225621_100000754431 [2,0,0,0,0,0|2,0,0]=4 1243 B7R0.3 C=CCCN(C)CC 269982a_100020639649_100000204670 [2,0,0,0,0,0|2,0,0]=4 1244 B7R0.3 C=CCNC(C)CC 2230a_100000209981_100000210623 [2,0,0,0,0,0|2,0,0]=4 1245 B7R0.3 C=CCNC(C)CC 2230a_100020586998_100000758301 [2,0,0,0,0,0|2,0,0]=4 1246 B7R0.3 C=CCOC(C)CC 34a_200000210373_100011215416 [2,0,0,0,0,0|2,0,0]=4 1247 B7R0.3 C=CCOC(C)CC 7a_100000210228_100015514636 [2,0,0,0,0,0|2,0,0]=4 1248 B7R0.3 C=CCSC(C)CC 62a_100000210623_100000758301 [2,0,0,0,0,0|2,0,0]=4 1249 B7R0.3 C=CCSC(C)CC 62a_100000758301_100000210623 [2,0,0,0,0,0|2,0,0]=4 1250 B7R0.3 C=CCSC(C)OC 62a_100000210623_100009879195 [2,0,0,0,0,0|2,0,0]=4 1251 B7R0.3 C=CCSC(C)OC 62a_100009879195_100000210623 [2,0,0,0,0,0|2,0,0]=4 1252 B7R0.3 CC=CCC(=O)NC 11a_106832991635_100121576822 [2,0,0,0,0,0|1,0,1]=4 1253 B7R0.3 CC=CCC(=O)NC 1626a_100102657272_100121576822 [2,0,0,0,0,0|1,0,1]=4 1254 B7R0.3 CC=CCC(=O)NC 240690a_100102657272_100121576822 [2,0,0,0,0,0|1,0,1]=4 1255 B7R0.3 CC=CCC(=O)NC 527a_100102657272_100121576822 [2,0,0,0,0,0|1,0,1]=4 1256 B7R0.3 CC=CCN(C)CC 2230a_100000225621_100000070051 [2,0,0,0,0,0|2,0,0]=4 1257 B7R0.3 CCC(C)CCNC 2230a_100020591266_200000210301 [2,0,0,0,0,0|2,0,0]=4 1258 B7R0.3 CCC(C)CCN[13CH3] 2230a_100020591266_200025704644 [2,0,0,0,0,0|2,0,0]=4 1259 B7R0.3 CCC(C)CCOC 7a_100011215188_200000210301 [2,0,0,0,0,0|2,0,0]=4 1260 B7R0.3 CCC(C)CCO[13CH3] 7a_100011215188_200025704644 [2,0,0,0,0,0|2,0,0]=4 1261 B7R0.3 CCCCC(C)NC 2230a_100000126638_200000210301 [2,0,0,0,0,0|0,0,1]=3 1262 B7R0.3 CCCCC(C)NC 2230a_106832991635_200011215066 [2,0,0,0,0,0|0,0,1]=3 1263 B7R0.3 CCCCC(C)NC 270004a_106832991635_100000210087 [2,0,0,0,0,0|0,0,1]=3 1264 B7R0.3 CCCCC(C)NC 34a_100102657272_200011215066 [2,0,0,0,0,0|0,0,1]=3 1265 B7R0.3 CCCCC(C)NC 7a_106832991635_200011215066 [2,0,0,0,0,0|0,0,1]=3 1266 B7R0.3 CCCCC(C)N[13CH3] 2230a_100000126638_200025704644 [2,0,0,0,0,0|0,0,1]=3 1267 B7R0.3 CCCCC(C)OC 34a_100000687866_200000210301 [2,0,0,0,0,0|1,0,1]=4 1268 B7R0.3 CCCCC(C)OC 34a_100138415774_200011215066 [2,0,0,0,0,0|1,0,1]=4 1269 B7R0.3 CCCCC(C)OC 7a_100000687866_200000210301 [2,0,0,0,0,0|1,0,1]=4 1270 B7R0.3 CCCCC(C)O[13CH3] 34a_100000687866_200025704644 [2,0,0,0,0,0|1,0,1]=4 1271 B7R0.3 CCCCC(C)O[13CH3] 7a_100000687866_200025704644 [2,0,0,0,0,0|1,0,1]=4 1272 B7R0.3 CCCCC(C)SC 62a_200000210301_200011215066 [2,0,0,0,0,0|1,0,1]=4 1273 B7R0.3 CCCCC(C)SC 62a_200011215066_200000210301 [2,0,0,0,0,0|1,0,1]=4 1274 B7R0.3 CCCCC(C)S[13CH3] 62a_200011215066_200025704644 [2,0,0,0,0,0|1,0,1]=4 1275 B7R0.3 CCCCC(C)S[13CH3] 62a_200025704644_200011215066 [2,0,0,0,0,0|1,0,1]=4 1276 B7R0.3 CCSCC(C)NC 270004a_106832991635_200011216171 [2,0,0,0,0,0|1,0,1]=4 1277 B7R0.3 CNC(C)CCOC 270004a_106832991635_100000742357 [2,0,0,0,0,0|1,0,0]=3 1278 B7R0.3 CNC(C)CCSC 270004a_106832991635_100011217047 [2,0,0,0,0,0|1,0,0]=3 1279 B7R0.3 COC(C)CCO[13CH3] 7a_100000764861_200025704644 [2,0,0,0,0,0|2,0,0]=4 1280 B7R0.3 COCCC(C)OC 7a_100000764861_200000210301 [2,0,0,0,0,0|2,0,0]=4 1281 B7R0.4 C/C=C/CNC(C)C 34a_100138425928_100102629194 [2,0,0,0,0,0|1,0,0]=3 1282 B7R0.4 C/C=C/COC(C)C 34a_100000212225_100102629194 [2,0,0,0,0,0|1,0,0]=3 1283 B7R0.4 C/C=C/COC(C)C 34a_100016270725_100000210206 [2,0,0,0,0,0|1,0,0]=3 1284 B7R0.4 C/C=C/CSC(C)C 62a_100000210206_100102629194 [2,0,0,0,0,0|1,0,0]=3 1285 B7R0.4 C/C=C/CSC(C)C 62a_100102629194_100000210206 [2,0,0,0,0,0|1,0,0]=3 1286 B7R0.4 CC(=CCCS[13CH3])C 62a_100011217483_200025704644 [2,0,0,0,0,0|1,0,0]=3 1287 B7R0.4 CC(=CCCS[13CH3])C 62a_200025704644_100011217483 [2,0,0,0,0,0|1,0,0]=3 1288 B7R0.4 CC(=CCNCF)C 34a_100000718196_100015361967 [2,0,0,0,0,0|2,0,0]=4 1289 B7R0.4 CC(=CCOCF)C 34a_100000753907_100015361967 [2,0,0,0,0,0|2,0,0]=4 1290 B7R0.4 CC(=CCSCF)C 62a_100000761012_100015361967 [2,0,0,0,0,0|2,0,0]=4 1291 B7R0.4 CC(=CCSCF)C 62a_100015361967_100000761012 [2,0,0,0,0,0|2,0,0]=4 1292 B7R0.4 CC(=O)CCCO[13CH3] 34a_100000759063_200025704644 [2,0,0,0,0,0|2,0,0]=4 1293 B7R0.4 CC(=O)CCCO[13CH3] 7a_100000759063_200025704644 [2,0,0,0,0,0|2,0,0]=4 1294 B7R0.4 CC(=O)CCCS[13CH3] 62a_100011215641_200025704644 [2,0,0,0,0,0|2,0,0]=4 1295 B7R0.4 CC(=O)CCCS[13CH3] 62a_200025704644_100011215641 [2,0,0,0,0,0|2,0,0]=4 1296 B7R0.4 CC(=O)NCCN[13CH3] 2230a_100000209853_200025704644 [2,0,0,0,0,0|2,0,0]=4 1297 B7R0.4 CC(C)CCCN[13CH3] 2230a_200000737386_200025704644 [2,0,0,0,0,0|0,0,1]=3 1298 B7R0.4 CC(C)CCCN[13CH3] 34a_200000737386_200025704644 [2,0,0,0,0,0|0,0,1]=3 1299 B7R0.4 CC(C)CCCO[13CH3] 34a_100000210774_200025704644 [2,0,0,0,0,0|1,0,1]=4 1300 B7R0.4 CC(C)CCCO[13CH3] 7a_100000210774_200025704644 [2,0,0,0,0,0|1,0,1]=4 1301 B7R0.4 CC(C)CCCS[13CH3] 62a_100011214892_200025704644 [2,0,0,0,0,0|1,0,1]=4 1302 B7R0.4 CC(C)CCCS[13CH3] 62a_200025704644_100011214892 [2,0,0,0,0,0|1,0,1]=4 1303 B7R0.4 CC(C)OCCCN 34a_100000182051_100000210206 [2,0,0,0,0,0|1,0,1]=4 1304 B7R0.4 CC(C)OCCN[13CH3] 2230a_100000701111_200025704644 [2,0,0,0,0,0|1,0,1]=4 1305 B7R0.4 CC(C)OCCN[13CH3] 34a_100000701111_200025704644 [2,0,0,0,0,0|1,0,1]=4 1306 B7R0.4 CC(C)SCCN[13CH3] 2230a_100000731138_200025704644 [2,0,0,0,0,0|1,0,1]=4 1307 B7R0.4 CC(C)SCCN[13CH3] 34a_100000731138_200025704644 [2,0,0,0,0,0|1,0,1]=4 1308 B7R0.4 CC=CCNC(C)C 2230a_100138425928_100000070051 [2,0,0,0,0,0|1,0,0]=3 1309 B7R0.4 CC=CCNC(C)C 34a_100138425928_100000070051 [2,0,0,0,0,0|1,0,0]=3 1310 B7R0.4 CC=CCOC(C)C 34a_100000212225_100000070051 [2,0,0,0,0,0|1,0,0]=3 1311 B7R0.4 CC=CCSC(C)C 62a_100000070051_100000210206 [2,0,0,0,0,0|1,0,0]=3 1312 B7R0.4 CC=CCSC(C)C 62a_100000210206_100000070051 [2,0,0,0,0,0|1,0,0]=3 1313 B7R0.4 CCCC=CC(=O)C 1458a_100000212230_200000210301 [2,0,0,0,0,0|1,0,1]=4 1314 B7R0.4 CCCC=CC(=O)[13CH3] 1458a_100000212230_200025704644 [2,0,0,0,0,0|1,0,1]=4 1315 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [2,0,0,0,0,0|1,0,1]=4 1316 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [2,0,0,0,0,0|1,0,1]=4 1317 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [2,0,0,0,0,0|1,0,1]=4 1318 B7R0.4 CCCCCN(C)C 2230a_100000223495_200000210301 [2,0,0,0,0,0|1,0,1]=4 1319 B7R0.4 CCCCCN(C)C 2230a_100102631434_100000210326 [2,0,0,0,0,0|1,0,1]=4 1320 B7R0.4 CCCCCN(C)C 269982a_100000223495_200000210301 [2,0,0,0,0,0|1,0,1]=4 1321 B7R0.4 CCCCCN(C)C 269982a_100102631434_100000210215 [2,0,0,0,0,0|1,0,1]=4 1322 B7R0.4 CCCCCN(C)[13CH3] 2230a_100000223495_200025704644 [2,0,0,0,0,0|1,0,1]=4 1323 B7R0.4 CCCCCN(C)[13CH3] 269982a_100000223495_200025704644 [2,0,0,0,0,0|1,0,1]=4 1324 B7R0.4 CCCCNC(=O)C 11a_100000102301_100015343762 [2,0,0,0,0,0|2,0,0]=4 1325 B7R0.4 CCCCNC(=O)C 1626a_100000102301_100015343762 [2,0,0,0,0,0|2,0,0]=4 1326 B7R0.4 CCCCNC(=O)C 240690a_100000102301_100015343762 [2,0,0,0,0,0|2,0,0]=4 1327 B7R0.4 CCCCNC(=O)C 527a_100000102301_100103153847 [2,0,0,0,0,0|2,0,0]=4 1328 B7R0.4 CCCCNC(C)C 2230a_100000102301_100000210206 [2,0,0,0,0,0|1,0,1]=4 1329 B7R0.4 CCCCNC(C)C 2230a_100138425928_100000210211 [2,0,0,0,0,0|1,0,1]=4 1330 B7R0.4 CCCCNC(C)C 34a_100138425928_100000210210 [2,0,0,0,0,0|1,0,1]=4 1331 B7R0.4 CCCCNC(C)C 7a_106832991798_100000210206 [2,0,0,0,0,0|1,0,1]=4 1332 B7R0.4 CCCCOC(C)C 34a_100000210227_100000210206 [2,0,0,0,0,0|1,0,1]=4 1333 B7R0.4 CCCCOC(C)C 34a_100000212225_100000210210 [2,0,0,0,0,0|1,0,1]=4 1334 B7R0.4 CCCCOC(C)C 7a_100000210227_100000210206 [2,0,0,0,0,0|1,0,1]=4 1335 B7R0.4 CCCCSC(C)C 62a_100000210206_100000210210 [2,0,0,0,0,0|1,0,1]=4 1336 B7R0.4 CCCCSC(C)C 62a_100000210211_100000210206 [2,0,0,0,0,0|1,0,1]=4 1337 B7R0.4 CCNCC=C(C)C 2230a_100015525214_100000761012 [2,0,0,0,0,0|1,0,0]=3 1338 B7R0.4 CCNCC=C(C)C 34a_100000718196_100000210202 [2,0,0,0,0,0|1,0,0]=3 1339 B7R0.4 CCNCCC(C)C 2230a_100015525214_100000210312 [2,0,0,0,0,0|1,0,1]=4 1340 B7R0.4 CCNCCC(C)C 269862a_100015525214_100000185833 [2,0,0,0,0,0|1,0,1]=4 1341 B7R0.4 CCOCC=C(C)C 34a_100000753907_100000210202 [2,0,0,0,0,0|1,0,0]=3 1342 B7R0.4 CCOCC=C(C)C 34a_100121572206_100000761012 [2,0,0,0,0,0|1,0,0]=3 1343 B7R0.4 CCOCCC(C)C 34a_100000210254_100000210202 [2,0,0,0,0,0|1,0,1]=4 1344 B7R0.4 CCOCCC(C)C 34a_100121572206_100000210312 [2,0,0,0,0,0|1,0,1]=4 1345 B7R0.4 CCOCCC(C)C 7a_100000210254_100000210202 [2,0,0,0,0,0|1,0,1]=4 1346 B7R0.4 CCOCC[C@@H](C)N 34a_100000706166_100000210202 [2,0,0,0,0,0|1,0,1]=4 1347 B7R0.4 CCSCC=C(C)C 62a_100000210202_100000761012 [2,0,0,0,0,0|1,0,0]=3 1348 B7R0.4 CCSCC=C(C)C 62a_100000761012_100000210202 [2,0,0,0,0,0|1,0,0]=3 1349 B7R0.4 CCSCCC(C)C 62a_100000210202_100000210312 [2,0,0,0,0,0|1,0,1]=4 1350 B7R0.4 CCSCCC(C)C 62a_100000210312_100000210202 [2,0,0,0,0,0|1,0,1]=4 1351 B7R0.4 CN(C)CCCS[13CH3] 62a_200025704644_100000757444 [2,0,0,0,0,0|2,0,0]=4 1352 B7R0.4 CNCCC=C(C)C 2230a_106832991635_100011217483 [2,0,0,0,0,0|0,0,0]=2 1353 B7R0.4 CNCCC=C(C)C 34a_100102657272_100011217483 [2,0,0,0,0,0|0,0,0]=2 1354 B7R0.4 CNCCC=C(C)C 7a_106832991635_100011217483 [2,0,0,0,0,0|0,0,0]=2 1355 B7R0.4 CNCCC=C(F)F 2230a_106832991635_200009816681 [2,0,0,0,0,0|2,0,0]=4 1356 B7R0.4 CNCCC=C(F)F 34a_100102657272_200009816681 [2,0,0,0,0,0|2,0,0]=4 1357 B7R0.4 CNCCC=C(F)F 7a_106832991635_200009816681 [2,0,0,0,0,0|2,0,0]=4 1358 B7R0.4 CNCCCC(=O)C 34a_100102657272_100000685027 [2,0,0,0,0,0|1,0,0]=3 1359 B7R0.4 CNCCCC(=O)C 7a_106832991635_100011215641 [2,0,0,0,0,0|1,0,0]=3 1360 B7R0.4 CNCCCC(=O)N 34a_100000739312_200000210301 [2,0,0,0,0,0|2,0,0]=4 1361 B7R0.4 CNCCCC(=O)N 34a_100102657272_100102525003 [2,0,0,0,0,0|2,0,0]=4 1362 B7R0.4 CNCCCC(=O)N 7a_106832991635_100102525003 [2,0,0,0,0,0|2,0,0]=4 1363 B7R0.4 CNCCCC(C)C 2230a_106832991635_100011214892 [2,0,0,0,0,0|0,0,1]=3 1364 B7R0.4 CNCCCC(C)C 2230a_200000737386_200000210301 [2,0,0,0,0,0|0,0,1]=3 1365 B7R0.4 CNCCCC(C)C 34a_100102657272_100011214892 [2,0,0,0,0,0|0,0,1]=3 1366 B7R0.4 CNCCCC(C)C 34a_200000737386_200000210301 [2,0,0,0,0,0|0,0,1]=3 1367 B7R0.4 CNCCCC(C)C 7a_106832991635_100011214892 [2,0,0,0,0,0|0,0,1]=3 1368 B7R0.4 CNCCCC(C)O 2230a_106832991635_200000718107 [2,0,0,0,0,0|1,0,1]=4 1369 B7R0.4 CNCCCC(C)O 34a_100102657272_200000718107 [2,0,0,0,0,0|1,0,1]=4 1370 B7R0.4 CNCCCC(C)O 7a_106832991635_200000718107 [2,0,0,0,0,0|1,0,1]=4 1371 B7R0.4 CNCCCN(C)C 7a_106832991635_100000757444 [2,0,0,0,0,0|1,0,0]=3 1372 B7R0.4 CNCCCS(=O)C 2230a_200000753449_200000210301 [2,0,0,0,0,0|2,0,0]=4 1373 B7R0.4 CNCCNC(=O)C 2230a_100000209853_200000210301 [2,0,0,0,0,0|2,0,0]=4 1374 B7R0.4 CNCCNC(=O)C 2230a_106832991635_100000189650 [2,0,0,0,0,0|2,0,0]=4 1375 B7R0.4 CNCCNC(=O)C 7a_106832991635_100000189650 [2,0,0,0,0,0|2,0,0]=4 1376 B7R0.4 CNCCOC(=O)C 34a_100102657272_100009814007 [2,0,0,0,0,0|2,0,0]=4 1377 B7R0.4 CNCCOC(=O)C 7a_106832991635_100009814007 [2,0,0,0,0,0|2,0,0]=4 1378 B7R0.4 CNCCOC(C)C 2230a_100000701111_200000210301 [2,0,0,0,0,0|1,0,1]=4 1379 B7R0.4 CNCCOC(C)C 2230a_106832991635_100000211751 [2,0,0,0,0,0|1,0,1]=4 1380 B7R0.4 CNCCOC(C)C 34a_100000701111_200000210301 [2,0,0,0,0,0|1,0,1]=4 1381 B7R0.4 CNCCOC(C)C 34a_100102657272_100000211751 [2,0,0,0,0,0|1,0,1]=4 1382 B7R0.4 CNCCOC(C)C 7a_106832991635_100000211751 [2,0,0,0,0,0|1,0,1]=4 1383 B7R0.4 CNCCSC(C)C 2230a_100000731138_200000210301 [2,0,0,0,0,0|1,0,1]=4 1384 B7R0.4 CNCCSC(C)C 2230a_106832991635_100000730970 [2,0,0,0,0,0|1,0,1]=4 1385 B7R0.4 CNCCSC(C)C 34a_100000731138_200000210301 [2,0,0,0,0,0|1,0,1]=4 1386 B7R0.4 CNCCSC(C)C 34a_100102657272_100000730970 [2,0,0,0,0,0|1,0,1]=4 1387 B7R0.4 CNCCSC(C)C 7a_106832991635_100000730970 [2,0,0,0,0,0|1,0,1]=4 1388 B7R0.4 COCCC=C(C)C 34a_100138415774_100011217483 [2,0,0,0,0,0|1,0,0]=3 1389 B7R0.4 COCCCC(=O)C 1458a_100000070787_100000740836 [2,0,0,0,0,0|2,0,0]=4 1390 B7R0.4 COCCCC(=O)C 1458a_100000741012_200000210301 [2,0,0,0,0,0|2,0,0]=4 1391 B7R0.4 COCCCC(=O)C 34a_100000759063_200000210301 [2,0,0,0,0,0|2,0,0]=4 1392 B7R0.4 COCCCC(=O)C 34a_100138415774_100000685027 [2,0,0,0,0,0|2,0,0]=4 1393 B7R0.4 COCCCC(=O)C 7a_100000759063_200000210301 [2,0,0,0,0,0|2,0,0]=4 1394 B7R0.4 COCCCC(=O)[13CH3] 1458a_100000741012_200025704644 [2,0,0,0,0,0|2,0,0]=4 1395 B7R0.4 COCCCC(C)C 34a_100000210774_200000210301 [2,0,0,0,0,0|1,0,1]=4 1396 B7R0.4 COCCCC(C)C 34a_100138415774_100011214892 [2,0,0,0,0,0|1,0,1]=4 1397 B7R0.4 COCCCC(C)C 7a_100000210774_200000210301 [2,0,0,0,0,0|1,0,1]=4 1398 B7R0.4 COCCCN(C)C 2230a_100000224831_200000210301 [2,0,0,0,0,0|2,0,0]=4 1399 B7R0.4 COCCCN(C)C 2230a_100102631434_100000740836 [2,0,0,0,0,0|2,0,0]=4 1400 B7R0.4 COCCCN(C)C 269982a_100000224831_200000210301 [2,0,0,0,0,0|2,0,0]=4 1401 B7R0.4 COCCCN(C)C 269982a_100102631434_100000740836 [2,0,0,0,0,0|2,0,0]=4 1402 B7R0.4 COCCCN(C)[13CH3] 2230a_100000224831_200025704644 [2,0,0,0,0,0|2,0,0]=4 1403 B7R0.4 COCCCN(C)[13CH3] 269982a_100000224831_200025704644 [2,0,0,0,0,0|2,0,0]=4 1404 B7R0.4 CS(=O)CCCN[13CH3] 2230a_200000753449_200025704644 [2,0,0,0,0,0|2,0,0]=4 1405 B7R0.4 CSCCC=C(C)C 62a_100011217483_200000210301 [2,0,0,0,0,0|1,0,0]=3 1406 B7R0.4 CSCCC=C(C)C 62a_200000210301_100011217483 [2,0,0,0,0,0|1,0,0]=3 1407 B7R0.4 CSCCCC(=O)C 1458a_100000173376_200000210301 [2,0,0,0,0,0|2,0,0]=4 1408 B7R0.4 CSCCCC(=O)C 62a_100011215641_200000210301 [2,0,0,0,0,0|2,0,0]=4 1409 B7R0.4 CSCCCC(=O)C 62a_200000210301_100011215641 [2,0,0,0,0,0|2,0,0]=4 1410 B7R0.4 CSCCCC(=O)[13CH3] 1458a_100000173376_200025704644 [2,0,0,0,0,0|2,0,0]=4 1411 B7R0.4 CSCCCC(C)C 62a_100011214892_200000210301 [2,0,0,0,0,0|1,0,1]=4 1412 B7R0.4 CSCCCC(C)C 62a_200000210301_100011214892 [2,0,0,0,0,0|1,0,1]=4 1413 B7R0.4 CSCCCN(C)C 62a_200000210301_100000757444 [2,0,0,0,0,0|2,0,0]=4 1414 B7R0.4 [13CH3]NCCCC(=O)N 34a_100000739312_200025704644 [2,0,0,0,0,0|2,0,0]=4 1415 B9R0.5 C/C=C/CN[C@H](C)CCO 34a_100000706166_100102629194 [1,1,0,0,0,0|2,0,0]=4 1416 B9R0.5 C/C=C/COC(C)/C=C/C 34a_200102604097_100102629194 [1,1,0,0,0,0|2,0,0]=4 1417 B9R0.5 C/C=C/COC(C)CCBr 34a_100012276601_100102629194 [1,1,0,0,0,0|2,0,0]=4 1418 B9R0.5 C/C=C/COC(C)CCC 34a_100000764384_100102629194 [1,1,0,0,0,0|2,0,0]=4 1419 B9R0.5 C/C=C/COC(C)CCC 34a_100016270725_100000766640 [1,1,0,0,0,0|2,0,0]=4 1420 B9R0.5 C/C=C/COC(C)CCC 7a_100000764384_100102629194 [1,1,0,0,0,0|2,0,0]=4 1421 B9R0.5 C/C=C/COC(C)CCO 34a_100016270725_100009893172 [1,1,0,0,0,0|2,0,0]=4 1422 B9R0.5 C/C=C/COC(C)COC 34a_100016270725_100000765312 [1,1,0,0,0,0|2,0,0]=4 1423 B9R0.5 C/C=C/CO[C@H](C)COC 34a_100011934205_100102629194 [1,1,0,0,0,0|2,0,0]=4 1424 B9R0.5 C/C=C/CSC(C)CCC 62a_100000766640_100102629194 [1,1,0,0,0,0|2,0,0]=4 1425 B9R0.5 C/C=C/CSC(C)CCC 62a_100102629194_100000766640 [1,1,0,0,0,0|2,0,0]=4 1426 B9R0.5 C/C=C/CSC(C)CCO 62a_100009893172_100102629194 [1,1,0,0,0,0|2,0,0]=4 1427 B9R0.5 C/C=C/CSC(C)CCO 62a_100102629194_100009893172 [1,1,0,0,0,0|2,0,0]=4 1428 B9R0.5 C/C=C/CSC(C)COC 62a_100000765312_100102629194 [1,1,0,0,0,0|2,0,0]=4 1429 B9R0.5 C/C=C/CSC(C)COC 62a_100102629194_100000765312 [1,1,0,0,0,0|2,0,0]=4 1430 B9R0.5 CC#CC(C)OC/C=C/C 34a_100011216543_100102629194 [1,1,0,0,0,0|2,0,0]=4 1431 B9R0.5 CC#CC(C)OCC=CC 34a_100011216543_100000070051 [1,1,0,0,0,0|2,0,0]=4 1432 B9R0.5 CC=CCNC(C)CCC 2230a_100000741246_100000070051 [1,1,0,0,0,0|2,0,0]=4 1433 B9R0.5 CC=CCN[C@H](C)CCO 2230a_100000706166_100000070051 [1,1,0,0,0,0|2,0,0]=4 1434 B9R0.5 CC=CCN[C@H](C)CCO 34a_100000706166_100000070051 [1,1,0,0,0,0|2,0,0]=4 1435 B9R0.5 CC=CCN[C@H](C)COC 2230a_100000764878_100000070051 [1,1,0,0,0,0|2,0,0]=4 1436 B9R0.5 CC=CCOC(C)/C=C/C 34a_200102604097_100000070051 [1,1,0,0,0,0|2,0,0]=4 1437 B9R0.5 CC=CCOC(C)CCBr 34a_100012276601_100000070051 [1,1,0,0,0,0|2,0,0]=4 1438 B9R0.5 CC=CCOC(C)CCC 34a_100000764384_100000070051 [1,1,0,0,0,0|2,0,0]=4 1439 B9R0.5 CC=CCOC(C)CCC 7a_100000764384_100000070051 [1,1,0,0,0,0|2,0,0]=4 1440 B9R0.5 CC=CCO[C@H](C)COC 34a_100011934205_100000070051 [1,1,0,0,0,0|2,0,0]=4 1441 B9R0.5 CC=CCSC(C)CCC 62a_100000070051_100000766640 [1,1,0,0,0,0|2,0,0]=4 1442 B9R0.5 CC=CCSC(C)CCC 62a_100000766640_100000070051 [1,1,0,0,0,0|2,0,0]=4 1443 B9R0.5 CC=CCSC(C)CCO 62a_100000070051_100009893172 [1,1,0,0,0,0|2,0,0]=4 1444 B9R0.5 CC=CCSC(C)CCO 62a_100009893172_100000070051 [1,1,0,0,0,0|2,0,0]=4 1445 B9R0.5 CC=CCSC(C)COC 62a_100000070051_100000765312 [1,1,0,0,0,0|2,0,0]=4 1446 B9R0.5 CC=CCSC(C)COC 62a_100000765312_100000070051 [1,1,0,0,0,0|2,0,0]=4 1447 B9R0.5 CCCCCC(C)NCC 2230a_100000211957_100000210202 [1,1,0,0,0,0|0,0,2]=4 1448 B9R0.5 CCCCCC(C)NCC 2230a_100015525214_200011218191 [1,1,0,0,0,0|0,0,2]=4 1449 B9R0.5 CCCCCC(C)NCC 270004a_100015525214_100000211708 [1,1,0,0,0,0|0,0,2]=4 1450 B9R0.5 CCNC(C)CCCSC 270004a_100015525214_100011399439 [1,1,0,0,0,0|1,0,1]=4 1451 B9R0.5 CCNC(C)CCOCC 270004a_100015525214_200011216536 [1,1,0,0,0,0|1,0,1]=4 1452 B9R0.8 C/C=C/CC(=O)C(C)CC 1458a_100011192722_100102629194 [1,1,0,0,0,0|1,0,1]=4 1453 B9R0.8 C/C=C/CC(=O)C(C)OC 1458a_100000743197_100102629194 [1,1,0,0,0,0|1,0,1]=4 1454 B9R0.8 C/C=C/CC(=O)C(C)SC 1458a_100000149566_100102629194 [1,1,0,0,0,0|1,0,1]=4 1455 B9R0.8 C/C=C/CN(C)C(C)CC 2230a_100020603311_200000210301 [1,1,0,0,0,0|2,0,0]=4 1456 B9R0.8 C/C=C/CN(C)C(C)CC 269982a_100000741768_100102629194 [1,1,0,0,0,0|2,0,0]=4 1457 B9R0.8 C/C=C/CN(C)C(C)CC 269982a_100020603311_200000210301 [1,1,0,0,0,0|2,0,0]=4 1458 B9R0.8 C/C=C/CN([13CH3])C(C)CC 2230a_100020603311_200025704644 [1,1,0,0,0,0|2,0,0]=4 1459 B9R0.8 C/C=C/CN([13CH3])C(C)CC 269982a_100020603311_200025704644 [1,1,0,0,0,0|2,0,0]=4 1460 B9R0.8 CC=CCC(=O)C(C)CC 1458a_100011192722_100000070051 [1,1,0,0,0,0|1,0,1]=4 1461 B9R0.8 CC=CCC(=O)C(C)CC 1458a_100121576822_100000758301 [1,1,0,0,0,0|1,0,1]=4 1462 B9R0.8 CC=CCC(=O)C(C)OC 1458a_100000743197_100000070051 [1,1,0,0,0,0|1,0,1]=4 1463 B9R0.8 CC=CCC(=O)C(C)SC 1458a_100000149566_100000070051 [1,1,0,0,0,0|1,0,1]=4 1464 B9R0.8 CC=CCN(C)C(C)CC 2230a_100000741768_100000070051 [1,1,0,0,0,0|2,0,0]=4 1465 B9R0.20 C/C=C/COC(C)(C)CC 7a_100000210230_100102629194 [1,1,0,0,0,0|2,0,0]=4 1466 B9R0.20 C/C=C/CSC(C)(C)CC 62a_100000032637_100102629194 [1,1,0,0,0,0|2,0,0]=4 1467 B9R0.20 C/C=C/CSC(C)(C)CC 62a_100102629194_100000032637 [1,1,0,0,0,0|2,0,0]=4 1468 B9R0.20 CC=CCNC(C)(C)CC 2230a_100000211385_100000070051 [1,1,0,0,0,0|2,0,0]=4 1469 B9R0.20 CC=CCOC(C)(C)CC 7a_100000210230_100000070051 [1,1,0,0,0,0|2,0,0]=4 1470 B9R0.20 CC=CCSC(C)(C)CC 62a_100000032637_100000070051 [1,1,0,0,0,0|2,0,0]=4 1471 B9R0.20 CC=CCSC(C)(C)CC 62a_100000070051_100000032637 [1,1,0,0,0,0|2,0,0]=4 1472 B9R0.24 CCC(=O)CCC(C)CC 1458a_100000701222_100000210202 [1,1,0,0,0,0|1,0,1]=4 1473 B9R0.24 CCC(C)CCC(=O)NC 11a_106832991635_100000701222 [1,1,0,0,0,0|2,0,0]=4 1474 B9R0.24 CCC(C)CCC(=O)NC 1626a_100102657272_100000701222 [1,1,0,0,0,0|2,0,0]=4 1475 B9R0.24 CCC(C)CCC(=O)NC 240690a_100102657272_100000701222 [1,1,0,0,0,0|2,0,0]=4 1476 B9R0.24 CCC(C)CCC(=O)NC 527a_100102657272_100000701222 [1,1,0,0,0,0|2,0,0]=4 1477 B9R0.34 C/C=C/C(C)OC(C)CC 34a_200102604097_100011215416 [1,1,0,0,0,0|2,0,0]=4 1478 B9R0.34 CC=CC(=O)CC(C)CC 1458a_100000210699_100000748023 [1,1,0,0,0,0|1,0,1]=4 1479 B9R0.34 CC=CC(=O)C[C@@H](C)CC 1458a_100000210699_100009816398 [1,1,0,0,0,0|1,0,1]=4 1480 B9R0.46 C#CC(C)OCC/C=C/C 34a_100016278192_200000035995 [1,1,0,0,0,0|1,0,1]=4 1481 B9R0.46 C/C=C/CCOC(C)CC 34a_100016278192_100011215416 [1,1,0,0,0,0|1,0,0]=3 1482 B9R0.46 C/C=C/CCOC(C)CO 34a_100016278192_100012180447 [1,1,0,0,0,0|2,0,0]=4 1483 B9R0.46 C/C=C/CNCC(C)CO 34a_100000744482_100102629194 [1,1,0,0,0,0|2,0,0]=4 1484 B9R0.46 C/C=C/COCC(=O)NC 34a_100000750040_100102629194 [1,1,0,0,0,0|1,0,1]=4 1485 B9R0.46 C/C=C/COCC(=O)NC 34a_100016270725_100000183359 [1,1,0,0,0,0|1,0,1]=4 1486 B9R0.46 C/C=C/COCC(C)CC 34a_100016270725_100000748023 [1,1,0,0,0,0|1,0,0]=3 1487 B9R0.46 C/C=C/COCC(C)CN 34a_100000744482_100102629194 [1,1,0,0,0,0|2,0,0]=4 1488 B9R0.46 C/C=C/COCC(C)OC 34a_100000690652_100102629194 [1,1,0,0,0,0|1,0,0]=3 1489 B9R0.46 C/C=C/COCC(O)CC 34a_100016270725_100011218378 [1,1,0,0,0,0|2,0,0]=4 1490 B9R0.46 C/C=C/COC[C@@H](C)CC 34a_100016270725_100009816398 [1,1,0,0,0,0|1,0,0]=3 1491 B9R0.46 C/C=C/COC[C@@H](C)CC 7a_100009816381_100102629194 [1,1,0,0,0,0|1,0,0]=3 1492 B9R0.46 C/C=C/COC[C@@H](C)CO 34a_100016270725_100000059175 [1,1,0,0,0,0|2,0,0]=4 1493 B9R0.46 C/C=C/CSCC(=O)NC 62a_100000183359_100102629194 [1,1,0,0,0,0|1,0,1]=4 1494 B9R0.46 C/C=C/CSCC(=O)NC 62a_100102629194_100000183359 [1,1,0,0,0,0|1,0,1]=4 1495 B9R0.46 C/C=C/CSCC(C)CC 62a_100000748023_100102629194 [1,1,0,0,0,0|1,0,0]=3 1496 B9R0.46 C/C=C/CSCC(C)CC 62a_100102629194_100000748023 [1,1,0,0,0,0|1,0,0]=3 1497 B9R0.46 C/C=C/CSCC(O)CC 62a_100011218378_100102629194 [1,1,0,0,0,0|2,0,0]=4 1498 B9R0.46 C/C=C/CSCC(O)CC 62a_100102629194_100011218378 [1,1,0,0,0,0|2,0,0]=4 1499 B9R0.46 C/C=C/CSC[C@@H](C)CC 62a_100009816398_100102629194 [1,1,0,0,0,0|1,0,0]=3 1500 B9R0.46 C/C=C/CSC[C@@H](C)CC 62a_100102629194_100009816398 [1,1,0,0,0,0|1,0,0]=3 1501 B9R0.46 C/C=C/CSC[C@@H](C)CO 62a_100000059175_100102629194 [1,1,0,0,0,0|2,0,0]=4 1502 B9R0.46 C/C=C/CSC[C@@H](C)CO 62a_100102629194_100000059175 [1,1,0,0,0,0|2,0,0]=4 1503 B9R0.46 C=CC(C)COC/C=C/C 34a_100011215527_100102629194 [1,1,0,0,0,0|1,0,1]=4 1504 B9R0.46 C=CC(C)COC/C=C/C 7a_100011215527_100102629194 [1,1,0,0,0,0|1,0,1]=4 1505 B9R0.46 C=CC(C)COCC=CC 34a_100011215527_100000070051 [1,1,0,0,0,0|1,0,1]=4 1506 B9R0.46 C=CC(C)COCC=CC 7a_100011215527_100000070051 [1,1,0,0,0,0|1,0,1]=4 1507 B9R0.46 CC/C=C\CCN(C)CC 2230a_100000225621_100015370543 [1,1,0,0,0,0|2,0,0]=4 1508 B9R0.46 CC/C=C\CCN(C)CC 269982a_100000225621_100015370543 [1,1,0,0,0,0|2,0,0]=4 1509 B9R0.46 CC/C=C\CNC(C)CC 2230a_100000209981_100103147603 [1,1,0,0,0,0|2,0,0]=4 1510 B9R0.46 CC/C=C\COC(C)CC 34a_100016268518_100011215416 [1,1,0,0,0,0|2,0,0]=4 1511 B9R0.46 CC/C=C\COC(C)CC 7a_100000210228_100103147603 [1,1,0,0,0,0|2,0,0]=4 1512 B9R0.46 CC/C=C\CSC(C)CC 62a_100000758301_100103147603 [1,1,0,0,0,0|2,0,0]=4 1513 B9R0.46 CC/C=C\CSC(C)CC 62a_100103147603_100000758301 [1,1,0,0,0,0|2,0,0]=4 1514 B9R0.46 CC/C=C\CSC(C)OC 62a_100009879195_100103147603 [1,1,0,0,0,0|2,0,0]=4 1515 B9R0.46 CC/C=C\CSC(C)OC 62a_100103147603_100009879195 [1,1,0,0,0,0|2,0,0]=4 1516 B9R0.46 CC=CCNCC(=O)NC 2230a_100000693194_100000070051 [1,1,0,0,0,0|1,0,1]=4 1517 B9R0.46 CC=CCNCC(C)CC 2230a_100020588543_100000070051 [1,1,0,0,0,0|1,0,0]=3 1518 B9R0.46 CC=CCNCC(C)CO 34a_100000744482_100000070051 [1,1,0,0,0,0|2,0,0]=4 1519 B9R0.46 CC=CCNCC(O)CC 2230a_100011218483_100000070051 [1,1,0,0,0,0|2,0,0]=4 1520 B9R0.46 CC=CCNC[C@@H](C)OC 2230a_100020591295_100000070051 [1,1,0,0,0,0|1,0,0]=3 1521 B9R0.46 CC=CCOCC(=O)NC 34a_100000750040_100000070051 [1,1,0,0,0,0|1,0,1]=4 1522 B9R0.46 CC=CCOCC(C)CN 34a_100000744482_100000070051 [1,1,0,0,0,0|2,0,0]=4 1523 B9R0.46 CC=CCOCC(C)OC 34a_100000690652_100000070051 [1,1,0,0,0,0|1,0,0]=3 1524 B9R0.46 CC=CCOC[C@@H](C)CC 7a_100009816381_100000070051 [1,1,0,0,0,0|1,0,0]=3 1525 B9R0.46 CC=CCSCC(=O)NC 62a_100000070051_100000183359 [1,1,0,0,0,0|1,0,1]=4 1526 B9R0.46 CC=CCSCC(=O)NC 62a_100000183359_100000070051 [1,1,0,0,0,0|1,0,1]=4 1527 B9R0.46 CC=CCSCC(C)CC 62a_100000070051_100000748023 [1,1,0,0,0,0|1,0,0]=3 1528 B9R0.46 CC=CCSCC(C)CC 62a_100000748023_100000070051 [1,1,0,0,0,0|1,0,0]=3 1529 B9R0.46 CC=CCSCC(O)CC 62a_100000070051_100011218378 [1,1,0,0,0,0|2,0,0]=4 1530 B9R0.46 CC=CCSCC(O)CC 62a_100011218378_100000070051 [1,1,0,0,0,0|2,0,0]=4 1531 B9R0.46 CC=CCSC[C@@H](C)CC 62a_100000070051_100009816398 [1,1,0,0,0,0|1,0,0]=3 1532 B9R0.46 CC=CCSC[C@@H](C)CC 62a_100009816398_100000070051 [1,1,0,0,0,0|1,0,0]=3 1533 B9R0.46 CC=CCSC[C@@H](C)CO 62a_100000059175_100000070051 [1,1,0,0,0,0|2,0,0]=4 1534 B9R0.46 CC=CCSC[C@@H](C)CO 62a_100000070051_100000059175 [1,1,0,0,0,0|2,0,0]=4 1535 B9R0.46 CCCCCCC(C)NC 2230a_100000210919_200000210301 [1,1,0,0,0,0|0,0,2]=4 1536 B9R0.46 CCCCCCC(C)NC 2230a_106832991635_100011215978 [1,1,0,0,0,0|0,0,2]=4 1537 B9R0.46 CCCCCCC(C)NC 270004a_106832991635_100000210826 [1,1,0,0,0,0|0,0,2]=4 1538 B9R0.46 CCCCCCC(C)NC 34a_100000210919_200000210301 [1,1,0,0,0,0|0,0,2]=4 1539 B9R0.46 CCCCCCC(C)NC 34a_100102657272_100011215978 [1,1,0,0,0,0|0,0,2]=4 1540 B9R0.46 CCCCCCC(C)NC 7a_106832991635_100011215978 [1,1,0,0,0,0|0,0,2]=4 1541 B9R0.46 CCCCCCC(C)N[13CH3] 2230a_100000210919_200025704644 [1,1,0,0,0,0|0,0,2]=4 1542 B9R0.46 CCCCCCC(C)N[13CH3] 34a_100000210919_200025704644 [1,1,0,0,0,0|0,0,2]=4 1543 B9R0.47 C/C=C/COC(C)C(=O)C 34a_100000212229_100102629194 [1,1,0,0,0,0|2,0,0]=4 1544 B9R0.47 C/C=C/COC(C)C(C)C 7a_100000748068_100102629194 [1,1,0,0,0,0|2,0,0]=4 1545 B9R0.47 C/C=C/CSC(C)C(=O)C 62a_100009814033_100102629194 [1,1,0,0,0,0|2,0,0]=4 1546 B9R0.47 C/C=C/CSC(C)C(=O)C 62a_100102629194_100009814033 [1,1,0,0,0,0|2,0,0]=4 1547 B9R0.47 CC=CCNC(C)C(C)C 2230a_100000211541_100000070051 [1,1,0,0,0,0|2,0,0]=4 1548 B9R0.47 CC=CCOC(C)C(=O)C 34a_100000212229_100000070051 [1,1,0,0,0,0|2,0,0]=4 1549 B9R0.47 CC=CCOC(C)C(C)C 7a_100000748068_100000070051 [1,1,0,0,0,0|2,0,0]=4 1550 B9R0.47 CC=CCSC(C)C(=O)C 62a_100000070051_100009814033 [1,1,0,0,0,0|2,0,0]=4 1551 B9R0.47 CC=CCSC(C)C(=O)C 62a_100009814033_100000070051 [1,1,0,0,0,0|2,0,0]=4 1552 B9R0.47 CCCCCC(C)N(C)C 2230a_100102631434_200011218191 [1,1,0,0,0,0|0,0,2]=4 1553 B9R0.47 CCCCCC(C)N(C)C 269982a_100102631434_200011218191 [1,1,0,0,0,0|0,0,2]=4 1554 B9R0.47 CCCCCC(C)N(C)C 270004a_100102631434_100000211708 [1,1,0,0,0,0|0,0,2]=4 1555 B9R0.47 CCOCCC(C)N(C)C 270004a_100102631434_200011216536 [1,1,0,0,0,0|1,0,1]=4 1556 B9R0.47 CSCCCC(C)N(C)C 270004a_100102631434_100011399439 [1,1,0,0,0,0|1,0,1]=4 1557 B9R0.50 C/C=C/COC(CC)CC 7a_100000688536_100102629194 [1,1,0,0,0,0|2,0,0]=4 1558 B9R0.50 C/C=C/CSC(CC)CC 62a_100000210505_100102629194 [1,1,0,0,0,0|2,0,0]=4 1559 B9R0.50 C/C=C/CSC(CC)CC 62a_100102629194_100000210505 [1,1,0,0,0,0|2,0,0]=4 1560 B9R0.50 CC=CCNC(CC)CC 2230a_100000199018_100000070051 [1,1,0,0,0,0|2,0,0]=4 1561 B9R0.50 CC=CCN[C@@H](CC)CO 2230a_100000709445_100000070051 [1,1,0,0,0,0|2,0,0]=4 1562 B9R0.50 CC=CCOC(CC)CC 7a_100000688536_100000070051 [1,1,0,0,0,0|2,0,0]=4 1563 B9R0.50 CC=CCSC(CC)CC 62a_100000070051_100000210505 [1,1,0,0,0,0|2,0,0]=4 1564 B9R0.50 CC=CCSC(CC)CC 62a_100000210505_100000070051 [1,1,0,0,0,0|2,0,0]=4 1565 B9R0.50 CCCCCC(CC)NC 270004a_106832991635_100011215316 [1,1,0,0,0,0|0,0,2]=4 1566 B9R0.2 C#CCCNCC=C(C)C 34a_100000718196_100000688953 [1,1,0,0,0,0|1,0,1]=4 1567 B9R0.2 C#CCCNCC=C(C)C 34a_100000755551_100000761012 [1,1,0,0,0,0|1,0,1]=4 1568 B9R0.2 C#CCCOCC=C(C)C 34a_100000753907_100000688953 [1,1,0,0,0,0|1,0,1]=4 1569 B9R0.2 C#CCCOCC=C(C)C 34a_100011215631_100000761012 [1,1,0,0,0,0|1,0,1]=4 1570 B9R0.2 C#CCCSCC=C(C)C 62a_100000688953_100000761012 [1,1,0,0,0,0|1,0,1]=4 1571 B9R0.2 C#CCCSCC=C(C)C 62a_100000761012_100000688953 [1,1,0,0,0,0|1,0,1]=4 1572 B9R0.2 C#CCNCCC=C(C)C 34a_100000212058_100011217483 [1,1,0,0,0,0|1,0,1]=4 1573 B9R0.2 C#CCOCCC=C(C)C 34a_100000210247_100011217483 [1,1,0,0,0,0|1,0,1]=4 1574 B9R0.2 C#CCSCCC=C(C)C 62a_100000038162_100011217483 [1,1,0,0,0,0|1,0,1]=4 1575 B9R0.2 C/C=C/CNCC=C(C)C 34a_100000718196_100102629194 [1,1,0,0,0,0|1,0,1]=4 1576 B9R0.2 C/C=C/COCC=C(C)C 34a_100000753907_100102629194 [1,1,0,0,0,0|1,0,1]=4 1577 B9R0.2 C/C=C/COCC=C(C)C 34a_100016270725_100000761012 [1,1,0,0,0,0|1,0,1]=4 1578 B9R0.2 C/C=C/CSCC=C(C)C 62a_100000761012_100102629194 [1,1,0,0,0,0|1,0,1]=4 1579 B9R0.2 C/C=C/CSCC=C(C)C 62a_100102629194_100000761012 [1,1,0,0,0,0|1,0,1]=4 1580 B9R0.2 C=C(C)COCCCNC 34a_100000213112_100000748629 [1,1,0,0,0,0|0,0,2]=4 1581 B9R0.2 C=CCCNCC=C(C)C 2230a_100015191253_100000761012 [1,1,0,0,0,0|1,0,1]=4 1582 B9R0.2 C=CCCNCC=C(C)C 34a_100000718196_100000754431 [1,1,0,0,0,0|1,0,1]=4 1583 B9R0.2 C=CCCOCC=C(C)C 34a_100000753907_100000754431 [1,1,0,0,0,0|1,0,1]=4 1584 B9R0.2 C=CCCOCC=C(C)C 34a_100011205117_100000761012 [1,1,0,0,0,0|1,0,1]=4 1585 B9R0.2 C=CCCSCC=C(C)C 62a_100000754431_100000761012 [1,1,0,0,0,0|1,0,1]=4 1586 B9R0.2 C=CCCSCC=C(C)C 62a_100000761012_100000754431 [1,1,0,0,0,0|1,0,1]=4 1587 B9R0.2 C=CCNCCC=C(C)C 2230a_100020586998_100011217483 [1,1,0,0,0,0|1,0,1]=4 1588 B9R0.2 C=CCOCCC=C(C)C 34a_200000210373_100011217483 [1,1,0,0,0,0|1,0,1]=4 1589 B9R0.2 C=CCSCCC=C(C)C 62a_100000210623_100011217483 [1,1,0,0,0,0|1,0,1]=4 1590 B9R0.2 C=CCSCCC=C(C)C 62a_100011217483_100000210623 [1,1,0,0,0,0|1,0,1]=4 1591 B9R0.2 CC#CCNCC=C(C)C 2230a_100000685387_100000761012 [1,1,0,0,0,0|1,0,1]=4 1592 B9R0.2 CC#CCNCC=C(C)C 34a_100000685387_100000761012 [1,1,0,0,0,0|1,0,1]=4 1593 B9R0.2 CC#CCNCC=C(C)C 34a_100000718196_100000748600 [1,1,0,0,0,0|1,0,1]=4 1594 B9R0.2 CC#CCOCC=C(C)C 34a_100000753907_100000748600 [1,1,0,0,0,0|1,0,1]=4 1595 B9R0.2 CC#CCOCC=C(C)C 34a_100000761923_100000761012 [1,1,0,0,0,0|1,0,1]=4 1596 B9R0.2 CC#CCSCC=C(C)C 62a_100000748600_100000761012 [1,1,0,0,0,0|1,0,1]=4 1597 B9R0.2 CC#CCSCC=C(C)C 62a_100000761012_100000748600 [1,1,0,0,0,0|1,0,1]=4 1598 B9R0.2 CC(=CCCNCCF)C 34a_100000724931_100011217483 [1,1,0,0,0,0|2,0,0]=4 1599 B9R0.2 CC(=CCCNCCO)C 2230a_100016997473_100011217483 [1,1,0,0,0,0|2,0,0]=4 1600 B9R0.2 CC(=CCCNCCO)C 34a_100016990907_100011217483 [1,1,0,0,0,0|2,0,0]=4 1601 B9R0.2 CC(=CCCOCCBr)C 34a_100000211926_100011217483 [1,1,0,0,0,0|2,0,0]=4 1602 B9R0.2 CC(=CCCOCCN)C 34a_100000210304_100011217483 [1,1,0,0,0,0|2,0,0]=4 1603 B9R0.2 CC(=CCCSCC#N)C 62a_100011215382_100011217483 [1,1,0,0,0,0|2,0,0]=4 1604 B9R0.2 CC(=CCCSCC#N)C 62a_100011217483_100011215382 [1,1,0,0,0,0|2,0,0]=4 1605 B9R0.2 CC(=CCCSCC=O)C 62a_100011217483_200015260668 [1,1,0,0,0,0|2,0,0]=4 1606 B9R0.2 CC(=CCCSCC=O)C 62a_200015260668_100011217483 [1,1,0,0,0,0|2,0,0]=4 1607 B9R0.2 CC(=CCCSCCF)C 62a_100011217306_100011217483 [1,1,0,0,0,0|2,0,0]=4 1608 B9R0.2 CC(=CCCSCCF)C 62a_100011217483_100011217306 [1,1,0,0,0,0|2,0,0]=4 1609 B9R0.2 CC(=CCCSCCO)C 62a_100000211926_100011217483 [1,1,0,0,0,0|2,0,0]=4 1610 B9R0.2 CC(=CCCSCCO)C 62a_100011217483_100000211926 [1,1,0,0,0,0|2,0,0]=4 1611 B9R0.2 CC(=CCNCCCF)C 2230a_100015189416_100000761012 [1,1,0,0,0,0|2,0,0]=4 1612 B9R0.2 CC(=CCNCCCF)C 34a_100000718196_100011934791 [1,1,0,0,0,0|2,0,0]=4 1613 B9R0.2 CC(=CCNCCCF)C 34a_100015189416_100000761012 [1,1,0,0,0,0|2,0,0]=4 1614 B9R0.2 CC(=CCNCCCO)C 34a_100000718196_100000230001 [1,1,0,0,0,0|2,0,0]=4 1615 B9R0.2 CC(=CCOCCCBr)C 34a_100011217188_100000761012 [1,1,0,0,0,0|2,0,0]=4 1616 B9R0.2 CC(=CCOCCCCl)C 34a_100000230001_100000761012 [1,1,0,0,0,0|2,0,0]=4 1617 B9R0.2 CC(=CCOCCCF)C 34a_100000753907_100011934791 [1,1,0,0,0,0|2,0,0]=4 1618 B9R0.2 CC(=CCOCCCF)C 34a_100000759539_100000761012 [1,1,0,0,0,0|2,0,0]=4 1619 B9R0.2 CC(=CCOCCCN)C 34a_100000182051_100000761012 [1,1,0,0,0,0|2,0,0]=4 1620 B9R0.2 CC(=CCOCCCO)C 34a_100000753907_100000230001 [1,1,0,0,0,0|2,0,0]=4 1621 B9R0.2 CC(=CCOCCON)C 34a_100000700252_100000761012 [1,1,0,0,0,0|2,0,0]=4 1622 B9R0.2 CC(=CCSCCC#N)C 62a_100000761012_100011215226 [1,1,0,0,0,0|2,0,0]=4 1623 B9R0.2 CC(=CCSCCC#N)C 62a_100011215226_100000761012 [1,1,0,0,0,0|2,0,0]=4 1624 B9R0.2 CC(=CCSCCCF)C 62a_100000761012_100011934791 [1,1,0,0,0,0|2,0,0]=4 1625 B9R0.2 CC(=CCSCCCF)C 62a_100011934791_100000761012 [1,1,0,0,0,0|2,0,0]=4 1626 B9R0.2 CC(=CCSCCCO)C 62a_100000761012_100011215043 [1,1,0,0,0,0|2,0,0]=4 1627 B9R0.2 CC(=CCSCCCO)C 62a_100011215043_100000761012 [1,1,0,0,0,0|2,0,0]=4 1628 B9R0.2 CC(=O)NCCCCN[13CH3] 2230a_200011368371_200025704644 [1,1,0,0,0,0|1,0,1]=4 1629 B9R0.2 CC(=O)NCCCCN[13CH3] 34a_200011368371_200025704644 [1,1,0,0,0,0|1,0,1]=4 1630 B9R0.2 CC(=O)NCCCNCF 34a_100000736810_100015361967 [1,1,0,0,0,0|2,0,0]=4 1631 B9R0.2 CC(C)CCCCCN[13CH3] 2230a_100011290863_200025704644 [1,1,0,0,0,0|0,0,2]=4 1632 B9R0.2 CC(C)CCCCCN[13CH3] 34a_100011290863_200025704644 [1,1,0,0,0,0|0,0,2]=4 1633 B9R0.2 CC(C)COCCCN[13CH3] 2230a_100000205972_200025704644 [1,1,0,0,0,0|0,0,2]=4 1634 B9R0.2 CC(C)COCCCN[13CH3] 34a_100000205972_200025704644 [1,1,0,0,0,0|0,0,2]=4 1635 B9R0.2 CC(C)OCCCNCF 34a_100000737246_100015361967 [1,1,0,0,0,0|1,0,1]=4 1636 B9R0.2 CC=CCNCC=C(C)C 34a_100000718196_100000070051 [1,1,0,0,0,0|1,0,1]=4 1637 B9R0.2 CC=CCOCC=C(C)C 34a_100000753907_100000070051 [1,1,0,0,0,0|1,0,1]=4 1638 B9R0.2 CC=CCSCC=C(C)C 62a_100000070051_100000761012 [1,1,0,0,0,0|1,0,1]=4 1639 B9R0.2 CC=CCSCC=C(C)C 62a_100000761012_100000070051 [1,1,0,0,0,0|1,0,1]=4 1640 B9R0.2 CCCCCC=CC(=O)C 1458a_100016263427_200000210301 [1,1,0,0,0,0|2,0,0]=4 1641 B9R0.2 CCCCCC=CC(=O)[13CH3] 1458a_100016263427_200025704644 [1,1,0,0,0,0|2,0,0]=4 1642 B9R0.2 CCCCNCC=C(C)C 2230a_100000102301_100000761012 [1,1,0,0,0,0|1,0,0]=3 1643 B9R0.2 CCCCNCC=C(C)C 34a_100000718196_100000210210 [1,1,0,0,0,0|1,0,0]=3 1644 B9R0.2 CCCCNCC=C(C)C 7a_106832991798_100000761012 [1,1,0,0,0,0|1,0,0]=3 1645 B9R0.2 CCCCOCC=C(C)C 34a_100000210227_100000761012 [1,1,0,0,0,0|1,0,0]=3 1646 B9R0.2 CCCCOCC=C(C)C 34a_100000753907_100000210210 [1,1,0,0,0,0|1,0,0]=3 1647 B9R0.2 CCCCOCC=C(C)C 7a_100000210227_100000761012 [1,1,0,0,0,0|1,0,0]=3 1648 B9R0.2 CCCCSCC=C(C)C 62a_100000210211_100000761012 [1,1,0,0,0,0|1,0,0]=3 1649 B9R0.2 CCCCSCC=C(C)C 62a_100000761012_100000210210 [1,1,0,0,0,0|1,0,0]=3 1650 B9R0.2 CCCOCCC=C(C)C 34a_100000210258_100011217483 [1,1,0,0,0,0|1,0,0]=3 1651 B9R0.2 CCCSCCC=C(C)C 62a_100000210303_100011217483 [1,1,0,0,0,0|1,0,0]=3 1652 B9R0.2 CCCSCCC=C(C)C 62a_100011217483_100000210303 [1,1,0,0,0,0|1,0,0]=3 1653 B9R0.2 CCNCCCCC(C)C 2230a_100015525214_100011216152 [1,1,0,0,0,0|0,0,2]=4 1654 B9R0.2 CCNCCCNC(=O)C 34a_100000736810_100000210202 [1,1,0,0,0,0|2,0,0]=4 1655 B9R0.2 CCNCCCOC(=S)C 2230a_100015525214_200135323944 [1,1,0,0,0,0|2,0,0]=4 1656 B9R0.2 CCNCCCOC(C)C 2230a_100000737246_100000210202 [1,1,0,0,0,0|1,0,1]=4 1657 B9R0.2 CCNCCCOC(C)C 34a_100000737246_100000210202 [1,1,0,0,0,0|1,0,1]=4 1658 B9R0.2 CCNCCCSC(=O)C 2230a_100015525214_100000038929 [1,1,0,0,0,0|2,0,0]=4 1659 B9R0.2 CCOCSCC=C(C)C 62a_100000739092_100000761012 [1,1,0,0,0,0|2,0,0]=4 1660 B9R0.2 CCOCSCC=C(C)C 62a_100000761012_100000739092 [1,1,0,0,0,0|2,0,0]=4 1661 B9R0.2 CNCCCCCC(C)C 2230a_100011290863_200000210301 [1,1,0,0,0,0|0,0,2]=4 1662 B9R0.2 CNCCCCCC(C)C 2230a_106832991635_100000210682 [1,1,0,0,0,0|0,0,2]=4 1663 B9R0.2 CNCCCCCC(C)C 34a_100011290863_200000210301 [1,1,0,0,0,0|0,0,2]=4 1664 B9R0.2 CNCCCCCC(C)C 34a_100102657272_100000210682 [1,1,0,0,0,0|0,0,2]=4 1665 B9R0.2 CNCCCCCC(C)C 7a_106832991635_100000210682 [1,1,0,0,0,0|0,0,2]=4 1666 B9R0.2 CNCCCCNC(=O)C 2230a_200011368371_200000210301 [1,1,0,0,0,0|1,0,1]=4 1667 B9R0.2 CNCCCCNC(=O)C 34a_200011368371_200000210301 [1,1,0,0,0,0|1,0,1]=4 1668 B9R0.2 CNCCCCOC(=O)C 34a_100102657272_100000033659 [1,1,0,0,0,0|1,0,1]=4 1669 B9R0.2 CNCCCCOC(=O)C 7a_106832991635_100000033659 [1,1,0,0,0,0|1,0,1]=4 1670 B9R0.2 CNCCCCSC(=O)C 2230a_106832991635_200010402107 [1,1,0,0,0,0|1,0,1]=4 1671 B9R0.2 CNCCCCSC(=O)C 34a_100102657272_200010402107 [1,1,0,0,0,0|1,0,1]=4 1672 B9R0.2 CNCCCCSC(=O)C 7a_106832991635_200010402107 [1,1,0,0,0,0|1,0,1]=4 1673 B9R0.2 CNCCCOCC(C)C 2230a_100000205972_200000210301 [1,1,0,0,0,0|0,0,2]=4 1674 B9R0.2 CNCCCOCC(C)C 34a_100000205972_200000210301 [1,1,0,0,0,0|0,0,2]=4 1675 B9R0.2 CNCCCOCC(C)C 34a_100000213112_100000210624 [1,1,0,0,0,0|0,0,2]=4 1676 B9R0.2 CNCOCCOC(=O)C 34a_100102657272_100000076355 [1,1,0,0,0,0|2,0,0]=4 1677 B9R0.2 COCCNCC=C(C)C 2230a_100000209980_100000761012 [1,1,0,0,0,0|1,0,0]=3 1678 B9R0.2 COCCNCC=C(C)C 34a_100000718196_100011201679 [1,1,0,0,0,0|1,0,0]=3 1679 B9R0.2 COCCOCC=C(C)C 34a_100000210237_100000761012 [1,1,0,0,0,0|1,0,0]=3 1680 B9R0.2 COCCOCC=C(C)C 34a_100000753907_100011201679 [1,1,0,0,0,0|1,0,0]=3 1681 B9R0.2 COCCSCC=C(C)C 62a_100000233755_100000761012 [1,1,0,0,0,0|1,0,0]=3 1682 B9R0.2 COCCSCC=C(C)C 62a_100000761012_100000233755 [1,1,0,0,0,0|1,0,0]=3 1683 B9R0.2 COCSCCC=C(C)C 62a_100000766300_100011217483 [1,1,0,0,0,0|1,0,0]=3 1684 B9R0.2 COCSCCC=C(C)C 62a_100011217483_100000766300 [1,1,0,0,0,0|1,0,0]=3 1685 B9R0.2 CSCCNCC=C(C)C 2230a_100020590264_100000761012 [1,1,0,0,0,0|1,0,0]=3 1686 B9R0.2 CSCCNCC=C(C)C 34a_100000718196_100000212216 [1,1,0,0,0,0|1,0,0]=3 1687 B9R0.2 CSCCOCC=C(C)C 34a_100000230434_100000761012 [1,1,0,0,0,0|1,0,0]=3 1688 B9R0.2 CSCCOCC=C(C)C 34a_100000753907_100000212216 [1,1,0,0,0,0|1,0,0]=3 1689 B9R0.2 CSCCOCC=C(C)C 7a_100000230434_100000761012 [1,1,0,0,0,0|1,0,0]=3 1690 B9R0.2 CSCCSCC=C(C)C 62a_100000212216_100000761012 [1,1,0,0,0,0|1,0,0]=3 1691 B9R0.2 CSCCSCC=C(C)C 62a_100000761012_100000751147 [1,1,0,0,0,0|1,0,0]=3 1692 B9R0.2 CSCSCCC=C(C)C 62a_100011217483_100011218213 [1,1,0,0,0,0|1,0,0]=3 1693 B9R0.2 CSCSCCC=C(C)C 62a_100011218213_100011217483 [1,1,0,0,0,0|1,0,0]=3 1694 B9R0.4 CCCCC(=O)C=C(C)C 1458a_100000211388_100000210211 [1,1,0,0,0,0|1,0,1]=4 1695 B9R0.4 CCCOC(C)C=C(C)C 34a_100000717055_100000210303 [1,1,0,0,0,0|2,0,0]=4 1696 B9R0.4 COCCC(=O)C=C(C)C 1458a_100000211388_100000233755 [1,1,0,0,0,0|1,0,1]=4 1697 B9R0.4 CSCCC(=O)C=C(C)C 1458a_100000211388_100000751147 [1,1,0,0,0,0|1,0,1]=4 1698 B9R0.4 CSCOC(C)C=C(C)C 34a_100000717055_100011218213 [1,1,0,0,0,0|2,0,0]=4 1699 B9R0.38 CC(C)(C)OCCCN[13CH3] 2230a_100011250582_200025704644 [1,1,0,0,0,0|1,0,1]=4 1700 B9R0.38 CNCCCOC(C)(C)C 2230a_100011250582_200000210301 [1,1,0,0,0,0|1,0,1]=4 1701 B9R0.38 CNCCCOC(C)(C)C 34a_100000213112_100000210625 [1,1,0,0,0,0|1,0,1]=4 1702 B9R0.48 CCCC(=O)CC=C(C)C 1458a_100000211992_100000761012 [1,1,0,0,0,0|1,0,1]=4 1703 B9R0.48 CCCC(=O)CC=C(C)C 1458a_100011220947_100000210303 [1,1,0,0,0,0|1,0,1]=4 1704 B9R0.48 CCCN(C)CC=C(C)C 2230a_100000747261_100000761012 [1,1,0,0,0,0|2,0,0]=4 1705 B9R0.48 CCCN(C)CC=C(C)C 269982a_100000747261_100000761012 [1,1,0,0,0,0|2,0,0]=4 1706 B9R0.48 CNCC(C)CSC(=O)C 2230a_106832991635_200000116872 [1,1,0,0,0,0|2,0,0]=4 1707 B9R0.48 CNCC(C)CSC(=O)C 34a_100102657272_200000116872 [1,1,0,0,0,0|2,0,0]=4 1708 B9R0.48 CNCC(C)CSC(=O)C 7a_106832991635_200000116872 [1,1,0,0,0,0|2,0,0]=4 1709 B9R0.48 CNCC(O)COC(=O)C 34a_100102657272_200000139349 [1,1,0,0,0,0|2,0,0]=4 1710 B9R0.48 CNCC(O)COC(=O)C 7a_106832991635_200000139349 [1,1,0,0,0,0|2,0,0]=4 1711 B9R0.48 CNNC(=O)CC=C(C)C 22a_100016993582_100011220947 [1,1,0,0,0,0|1,0,1]=4 1712 B9R0.48 COCC(=O)CC=C(C)C 1458a_100000210968_100000761012 [1,1,0,0,0,0|1,0,1]=4 1713 B9R0.48 CSCC(=O)CC=C(C)C 1458a_100000184570_100000761012 [1,1,0,0,0,0|1,0,1]=4 1714 B9R0.55 C=C(C)CNCC=C(C)C 34a_100000718196_100000748629 [1,1,0,0,0,0|2,0,0]=4 1715 B9R0.55 C=C(C)COCC=C(C)C 34a_100000210245_100000761012 [1,1,0,0,0,0|2,0,0]=4 1716 B9R0.55 C=C(C)COCC=C(C)C 34a_100000753907_100000748629 [1,1,0,0,0,0|2,0,0]=4 1717 B9R0.55 C=C(C)CSCC=C(C)C 62a_100000748629_100000761012 [1,1,0,0,0,0|2,0,0]=4 1718 B9R0.55 C=C(C)CSCC=C(C)C 62a_100000761012_100000211660 [1,1,0,0,0,0|2,0,0]=4 1719 B9R0.55 CC(=CCCNC(C)C)C 2230a_100138425928_100011217483 [1,1,0,0,0,0|2,0,0]=4 1720 B9R0.55 CC(=CCCNC(C)C)C 34a_100138425928_100011217483 [1,1,0,0,0,0|2,0,0]=4 1721 B9R0.55 CC(=CCCOC(C)C)C 34a_100000212225_100011217483 [1,1,0,0,0,0|2,0,0]=4 1722 B9R0.55 CC(=CCCSC(C)C)C 62a_100000210206_100011217483 [1,1,0,0,0,0|2,0,0]=4 1723 B9R0.55 CC(=CCCSC(C)C)C 62a_100011217483_100000210206 [1,1,0,0,0,0|2,0,0]=4 1724 B9R0.55 CC(=CCNCC(C)C)C 2230a_100000210953_100000761012 [1,1,0,0,0,0|2,0,0]=4 1725 B9R0.55 CC(=CCNCC(C)C)C 270004a_100000718196_100000210432 [1,1,0,0,0,0|2,0,0]=4 1726 B9R0.55 CC(=CCNCC(C)C)C 34a_100000210953_100000761012 [1,1,0,0,0,0|2,0,0]=4 1727 B9R0.55 CC(=CCNCC(C)C)C 34a_100000718196_100000210624 [1,1,0,0,0,0|2,0,0]=4 1728 B9R0.55 CC(=CCNCC(C)O)C 2230a_100000210904_100000761012 [1,1,0,0,0,0|2,0,0]=4 1729 B9R0.55 CC(=CCNCC(C)O)C 34a_100000210904_100000761012 [1,1,0,0,0,0|2,0,0]=4 1730 B9R0.55 CC(=CCNCC(C)O)C 34a_100000718196_100011218427 [1,1,0,0,0,0|2,0,0]=4 1731 B9R0.55 CC(=CCNC[C@@H](C)O)C 34a_100000718196_100009817552 [1,1,0,0,0,0|2,0,0]=4 1732 B9R0.55 CC(=CCOCC(C)Br)C 34a_100012180447_100000761012 [1,1,0,0,0,0|2,0,0]=4 1733 B9R0.55 CC(=CCOCC(C)C)C 34a_100000210257_100000761012 [1,1,0,0,0,0|2,0,0]=4 1734 B9R0.55 CC(=CCOCC(C)C)C 34a_100000753907_100000210624 [1,1,0,0,0,0|2,0,0]=4 1735 B9R0.55 CC(=CCOCC(C)F)C 34a_100015925927_100000761012 [1,1,0,0,0,0|2,0,0]=4 1736 B9R0.55 CC(=CCOCC(C)O)C 34a_100000753907_100011218427 [1,1,0,0,0,0|2,0,0]=4 1737 B9R0.55 CC(=CCOC[C@@H](C)Cl)C 34a_100016084084_100000761012 [1,1,0,0,0,0|2,0,0]=4 1738 B9R0.55 CC(=CCOC[C@@H](C)N)C 34a_100000737577_100000761012 [1,1,0,0,0,0|2,0,0]=4 1739 B9R0.55 CC(=CCOC[C@@H](C)O)C 34a_100000753907_100009817552 [1,1,0,0,0,0|2,0,0]=4 1740 B9R0.55 CC(=CCSCC(C)C)C 62a_100000210624_100000761012 [1,1,0,0,0,0|2,0,0]=4 1741 B9R0.55 CC(=CCSCC(C)C)C 62a_100000761012_100000210760 [1,1,0,0,0,0|2,0,0]=4 1742 B9R0.55 CC(=CCSCC(C)O)C 62a_100000761012_100011218427 [1,1,0,0,0,0|2,0,0]=4 1743 B9R0.55 CC(=CCSCC(C)O)C 62a_100011218427_100000761012 [1,1,0,0,0,0|2,0,0]=4 1744 B9R0.55 CC(=CCSC[C@@H](C)O)C 62a_100000761012_100009817552 [1,1,0,0,0,0|2,0,0]=4 1745 B9R0.55 CC(=CCSC[C@@H](C)O)C 62a_100009817552_100000761012 [1,1,0,0,0,0|2,0,0]=4 1746 B9R0.55 CC(=O)CCCCN(C)C 269982a_100102631434_100000735457 [1,1,0,0,0,0|1,0,1]=4 1747 B9R0.55 CC(=O)COCC=C(C)C 34a_100000211253_100000761012 [1,1,0,0,0,0|2,0,0]=4 1748 B9R0.55 CC(=O)NCCCN(C)C 240690a_102531767803_100015343762 [1,1,0,0,0,0|2,0,0]=4 1749 B9R0.55 CC(=O)NCCCN(C)C 527a_102531767803_100103153847 [1,1,0,0,0,0|2,0,0]=4 1750 B9R0.55 CC(=O)OCCCN(C)C 269982a_100102631434_100000042594 [1,1,0,0,0,0|2,0,0]=4 1751 B9R0.55 CC(=O)SCCCN(C)C 2230a_100102631434_100000038929 [1,1,0,0,0,0|2,0,0]=4 1752 B9R0.55 CC(=O)SCCCN(C)C 269982a_100102631434_100000038929 [1,1,0,0,0,0|2,0,0]=4 1753 B9R0.55 CC(=S)OCCCN(C)C 2230a_100102631434_200135323944 [1,1,0,0,0,0|2,0,0]=4 1754 B9R0.55 CC(=S)OCCCN(C)C 269982a_100102631434_200135323944 [1,1,0,0,0,0|2,0,0]=4 1755 B9R0.55 CC(C)CCCCN(C)C 2230a_100102631434_100011216152 [1,1,0,0,0,0|0,0,2]=4 1756 B9R0.55 CC(C)CCCCN(C)C 269982a_100102631434_100011216152 [1,1,0,0,0,0|0,0,2]=4 1757 B9R0.55 CC(C)SCCCN(C)C 62a_100000210206_100000757444 [1,1,0,0,0,0|1,0,1]=4 1758 B9R0.55 CN(C)CCCCN(C)C 269982a_100102631434_100000690147 [1,1,0,0,0,0|1,0,1]=4 1759 B9R0.7 C=C(C)C(=O)CCC(C)C 1458a_100000185857_100000210312 [1,1,0,0,0,0|0,0,1]=3 1760 B9R0.7 C=C(C)C(=O)CCC(C)O 1458a_100000185857_100012276601 [1,1,0,0,0,0|1,0,1]=4 1761 B9R0.7 C=C(C)C(=O)NCC(C)C 11a_100000210953_100000185857 [1,1,0,0,0,0|1,0,1]=4 1762 B9R0.7 C=C(C)C(=O)NCC(C)C 1626a_100000210953_100000185857 [1,1,0,0,0,0|1,0,1]=4 1763 B9R0.7 CC(=CCC(=O)C(C)C)C 1458a_100000210198_100000761012 [1,1,0,0,0,0|0,0,1]=3 1764 B9R0.7 CC(=CCC(=O)C(C)C)C 1458a_100011220947_100000210206 [1,1,0,0,0,0|0,0,1]=3 1765 B9R0.7 CC(=CCC(=O)C(C)F)C 1458a_100000062450_100000761012 [1,1,0,0,0,0|1,0,1]=4 1766 B9R0.7 CC(=CCC(=O)N(C)C)C 11a_100102631434_100011220947 [1,1,0,0,0,0|1,0,1]=4 1767 B9R0.7 CC(=CCC(=O)N(C)C)C 1626a_100102631434_100011220947 [1,1,0,0,0,0|1,0,1]=4 1768 B9R0.7 CC(=CCC(=O)N(C)C)C 240690a_100102631434_100011220947 [1,1,0,0,0,0|1,0,1]=4 1769 B9R0.7 CC(=CCC(=O)N(C)C)C 527a_100102631434_100011220947 [1,1,0,0,0,0|1,0,1]=4 1770 B9R0.7 CC(=CCC(=O)[C@@H](C)O)C 1458a_100000717761_100000761012 [1,1,0,0,0,0|1,0,1]=4 1771 B9R0.7 CC(=CCC(=O)[C@H](C)O)C 1458a_217856618621_100000761012 [1,1,0,0,0,0|1,0,1]=4 1772 B9R0.7 CC(=CCN(C)C(C)C)C 269982a_200000211004_100000761012 [1,1,0,0,0,0|1,0,0]=3 1773 B9R0.7 CC(=O)C(=O)CNC(C)C 34a_100138425928_100011261029 [1,1,0,0,0,0|2,0,0]=4 1774 B9R0.7 CC(=O)C(=O)COC(C)C 34a_100000212225_100011261029 [1,1,0,0,0,0|2,0,0]=4 1775 B9R0.7 CC(=O)C(=O)CSC(C)C 62a_100000210206_100011261029 [1,1,0,0,0,0|2,0,0]=4 1776 B9R0.7 CC(=O)C(=O)CSC(C)C 62a_100011261029_100000210206 [1,1,0,0,0,0|2,0,0]=4 1777 B9R0.7 CC(=O)C(=O)NCC(C)C 1458a_200011297155_200000210301 [1,1,0,0,0,0|2,0,0]=4 1778 B9R0.7 CC(=O)C(C)CCC(C)C 1458a_100000070787_100011261404 [1,1,0,0,0,0|1,0,1]=4 1779 B9R0.7 CC(=O)N(C)CCC(C)C 11a_100000742789_100015343762 [1,1,0,0,0,0|2,0,0]=4 1780 B9R0.7 CC(=O)N(C)CCC(C)C 1626a_100000742789_100015343762 [1,1,0,0,0,0|2,0,0]=4 1781 B9R0.7 CC(=O)N(C)CCC(C)C 240690a_100000742789_100015343762 [1,1,0,0,0,0|2,0,0]=4 1782 B9R0.7 CC(=O)N(C)CCC(C)C 527a_100000742789_100103153847 [1,1,0,0,0,0|2,0,0]=4 1783 B9R0.7 CC(=O)NCC(O)C(C)C 11a_100000759067_100015343762 [1,1,0,0,0,0|2,0,0]=4 1784 B9R0.7 CC(=O)NCC(O)C(C)C 240690a_100000759067_100015343762 [1,1,0,0,0,0|2,0,0]=4 1785 B9R0.7 CC(=O)NCC(O)C(C)C 527a_100000759067_100103153847 [1,1,0,0,0,0|2,0,0]=4 1786 B9R0.7 CC(C)C(=O)CC[S+](C)C 1458a_100009452791_100000210206 [1,1,0,0,0,0|1,0,1]=4 1787 B9R0.7 CC(C)CCC(=O)C(C)C 1458a_100000181311_100000210206 [1,1,0,0,0,0|0,0,1]=3 1788 B9R0.7 CC(C)CCC(=O)C(C)C 1458a_100000210198_100000210312 [1,1,0,0,0,0|0,0,1]=3 1789 B9R0.7 CC(C)CCC(=O)C(C)F 1458a_100000062450_100000210312 [1,1,0,0,0,0|1,0,1]=4 1790 B9R0.7 CC(C)CCC(=O)N(C)C 11a_100102631434_100000181311 [1,1,0,0,0,0|1,0,0]=3 1791 B9R0.7 CC(C)CCC(=O)N(C)C 1626a_100102631434_100000181311 [1,1,0,0,0,0|1,0,0]=3 1792 B9R0.7 CC(C)CCC(=O)N(C)C 240690a_100102631434_100000181311 [1,1,0,0,0,0|1,0,0]=3 1793 B9R0.7 CC(C)CCC(=O)N(C)C 527a_100102631434_100000181311 [1,1,0,0,0,0|1,0,0]=3 1794 B9R0.7 CC(C)CCC(=O)[C@@H](C)O 1458a_100000717761_100000210312 [1,1,0,0,0,0|1,0,1]=4 1795 B9R0.7 CC(C)CCC(=O)[C@H](C)O 1458a_217856618621_100000210312 [1,1,0,0,0,0|1,0,1]=4 1796 B9R0.7 CC(C)CCC(C)N(C)C 2230a_100102631434_100011261404 [1,1,0,0,0,0|1,0,1]=4 1797 B9R0.7 CC(C)CCC(C)N(C)C 269982a_100102631434_100011261404 [1,1,0,0,0,0|1,0,1]=4 1798 B9R0.7 CC(C)CCC(C)N(C)C 270004a_100102631434_100000210476 [1,1,0,0,0,0|1,0,1]=4 1799 B9R0.7 CC(C)CCN(C)C(C)C 2230a_100000742789_100000210206 [1,1,0,0,0,0|1,0,1]=4 1800 B9R0.7 CC(C)CCN(C)C(C)C 269982a_100000742789_100000210206 [1,1,0,0,0,0|1,0,1]=4 1801 B9R0.7 CC(C)CCN(C)C(C)C 269982a_200000211004_100000210312 [1,1,0,0,0,0|1,0,1]=4 1802 B9R0.7 CC(C)CNC(=O)C(=O)[13CH3] 1458a_200011297155_200025704644 [1,1,0,0,0,0|2,0,0]=4 1803 B9R0.7 CC(C)CNC(=O)C(C)C 11a_100000210953_100000210198 [1,1,0,0,0,0|1,0,1]=4 1804 B9R0.7 CC(C)CNC(=O)C(C)C 1626a_100000210953_100000210198 [1,1,0,0,0,0|1,0,1]=4 1805 B9R0.7 CC(C)CNC(=O)C(C)C 240690a_100000210953_100000210198 [1,1,0,0,0,0|1,0,1]=4 1806 B9R0.7 CC(C)CNC(=O)C(C)C 527a_100000210953_100000210198 [1,1,0,0,0,0|1,0,1]=4 1807 B9R0.7 CC(C)CNC(=O)N(C)C 2708a_100000210953_100102631434 [1,1,0,0,0,0|2,0,0]=4 1808 B9R0.7 CC(C)NCC(=O)C(C)C 2230a_100138425928_100000753385 [1,1,0,0,0,0|1,0,1]=4 1809 B9R0.7 CC(C)NCC(=O)C(C)C 34a_100138425928_100000753385 [1,1,0,0,0,0|1,0,1]=4 1810 B9R0.7 CC(C)NCC(=O)N(C)C 2230a_100015183351_100000210206 [1,1,0,0,0,0|2,0,0]=4 1811 B9R0.7 CC(C)NCC(=O)N(C)C 2230a_100138425928_100000185267 [1,1,0,0,0,0|2,0,0]=4 1812 B9R0.7 CC(C)NCC(=O)N(C)C 34a_100138425928_100000692301 [1,1,0,0,0,0|2,0,0]=4 1813 B9R0.7 CC(C)NCC(O)C(C)C 2230a_100000759067_100000210206 [1,1,0,0,0,0|1,0,1]=4 1814 B9R0.7 CC(C)NCC(O)C(C)C 34a_100000759067_100000210206 [1,1,0,0,0,0|1,0,1]=4 1815 B9R0.7 CC(C)OCC(=O)C(C)C 1458a_100000745533_100000210206 [1,1,0,0,0,0|1,0,1]=4 1816 B9R0.7 CC(C)OCC(=O)C(C)C 34a_100000212225_100000753385 [1,1,0,0,0,0|1,0,1]=4 1817 B9R0.7 CC(C)OCC(=O)N(C)C 11a_100102631434_100000745533 [1,1,0,0,0,0|2,0,0]=4 1818 B9R0.7 CC(C)OCC(=O)N(C)C 1626a_100102631434_100000745533 [1,1,0,0,0,0|2,0,0]=4 1819 B9R0.7 CC(C)OCC(=O)N(C)C 240690a_100102631434_100000745533 [1,1,0,0,0,0|2,0,0]=4 1820 B9R0.7 CC(C)OCC(=O)N(C)C 34a_100000212225_100000692301 [1,1,0,0,0,0|2,0,0]=4 1821 B9R0.7 CC(C)OCC(=O)N(C)C 527a_100102631434_100000745533 [1,1,0,0,0,0|2,0,0]=4 1822 B9R0.7 CC(C)OC[C@H](N)C(C)C 34a_100011830312_100000210206 [1,1,0,0,0,0|1,0,1]=4 1823 B9R0.7 CC(C)SCC(=O)C(C)C 1458a_100000241585_100000210206 [1,1,0,0,0,0|1,0,1]=4 1824 B9R0.7 CC(C)SCC(=O)C(C)C 62a_100000210206_100000753385 [1,1,0,0,0,0|1,0,1]=4 1825 B9R0.7 CC(C)SCC(=O)C(C)C 62a_100000753385_100000210206 [1,1,0,0,0,0|1,0,1]=4 1826 B9R0.7 CC(C)SCC(=O)N(C)C 11a_100102631434_100000241585 [1,1,0,0,0,0|2,0,0]=4 1827 B9R0.7 CC(C)SCC(=O)N(C)C 1626a_100102631434_100000241585 [1,1,0,0,0,0|2,0,0]=4 1828 B9R0.7 CC(C)SCC(=O)N(C)C 240690a_100102631434_100000241585 [1,1,0,0,0,0|2,0,0]=4 1829 B9R0.7 CC(C)SCC(=O)N(C)C 527a_100102631434_100000241585 [1,1,0,0,0,0|2,0,0]=4 1830 B9R0.7 CC(C)SCC(=O)N(C)C 62a_100000210206_100000692301 [1,1,0,0,0,0|2,0,0]=4 1831 B9R0.7 CC(C)SCC(=O)N(C)C 62a_100000692301_100000210206 [1,1,0,0,0,0|2,0,0]=4 1832 B9R0.7 CC(O)CCC(=O)C(C)C 1458a_100000210198_100012276601 [1,1,0,0,0,0|1,0,1]=4 1833 B9R0.7 CC(O)CCC(=O)N(C)C 1626a_100102631434_100000718519 [1,1,0,0,0,0|2,0,0]=4 1834 B9R0.7 CN(C)C(=O)CC[S+](C)C 11a_100102631434_100009452791 [1,1,0,0,0,0|2,0,0]=4 1835 B9R0.7 CN(C)C(=O)CC[S+](C)C 1626a_100102631434_100009452791 [1,1,0,0,0,0|2,0,0]=4 1836 B9R0.7 CN(C)C(=O)CC[S+](C)C 240690a_100102631434_100009452791 [1,1,0,0,0,0|2,0,0]=4 1837 B9R0.7 CN(C)CCC(=O)N(C)C 11a_100102631434_100000689311 [1,1,0,0,0,0|2,0,0]=4 1838 B9R0.7 CN(C)CCC(=O)N(C)C 2230a_100102631434_100000737620 [1,1,0,0,0,0|2,0,0]=4 1839 B9R0.7 CN(C)CCC(=O)N(C)C 240690a_100102631434_100000689311 [1,1,0,0,0,0|2,0,0]=4 1840 B9R0.7 CN(C)CCC(=O)N(C)C 269982a_100102631434_100000737620 [1,1,0,0,0,0|2,0,0]=4 1841 B9R0.7 CN(C)CCC(=O)N(C)C 527a_100102631434_100000689311 [1,1,0,0,0,0|2,0,0]=4 1842 B9R0.53 CC(=CC(=O)CC(C)C)C 1458a_100000211388_100000210624 [1,1,0,0,0,0|0,0,1]=3 1843 B9R0.53 CC(=CC(=O)CC(C)C)Cl 1458a_200042562850_100000210624 [1,1,0,0,0,0|1,0,1]=4 1844 B9R0.53 CC(=CC(=O)CC(C)C)I 1458a_100025716642_100000210624 [1,1,0,0,0,0|1,0,1]=4 1845 B9R0.53 CC(=CC(=O)CC(C)O)C 1458a_100000211388_100011218427 [1,1,0,0,0,0|1,0,1]=4 1846 B9R0.53 CC(=CC(=O)NC(C)C)C 11a_100138425928_100000211388 [1,1,0,0,0,0|1,0,1]=4 1847 B9R0.53 CC(=CC(=O)NC(C)C)C 1626a_100138425928_100000211388 [1,1,0,0,0,0|1,0,1]=4 1848 B9R0.53 CC(=CC(=O)NC(C)C)C 240690a_100138425928_100000211388 [1,1,0,0,0,0|1,0,1]=4 1849 B9R0.53 CC(=CC(C)OC(C)C)C 34a_100000717055_100000210206 [1,1,0,0,0,0|1,0,0]=3 1850 B9R0.53 CC(=O)NC(C)CC(C)C 11a_100000692259_100015343762 [1,1,0,0,0,0|2,0,0]=4 1851 B9R0.53 CC(=O)NC(C)CC(C)C 1626a_100000692259_100015343762 [1,1,0,0,0,0|2,0,0]=4 1852 B9R0.53 CC(=O)NC(C)CC(C)C 240690a_100000692259_100015343762 [1,1,0,0,0,0|2,0,0]=4 1853 B9R0.53 CC(=O)NC(C)CC(C)C 527a_100000692259_100103153847 [1,1,0,0,0,0|2,0,0]=4 1854 B9R0.53 CC(C)CC(C)NC(C)C 2230a_100000692259_100000210206 [1,1,0,0,0,0|1,0,1]=4 1855 B9R0.53 CC(C)CC(C)NC(C)C 2230a_100138425928_100000731052 [1,1,0,0,0,0|1,0,1]=4 1856 B9R0.53 CC(C)CC(C)NC(C)C 34a_100138425928_100000731052 [1,1,0,0,0,0|1,0,1]=4 1857 B9R0.53 CC(C)CC(C)OC(C)C 34a_100000211805_100000210206 [1,1,0,0,0,0|1,0,1]=4 1858 B9R0.53 CC(C)CC(C)OC(C)C 34a_100000212225_100000731052 [1,1,0,0,0,0|1,0,1]=4 1859 B9R0.53 CC(C)CC(C)OC(C)C 7a_100000211805_100000210206 [1,1,0,0,0,0|1,0,1]=4 1860 B9R0.53 CC(C)CC(C)SC(C)C 62a_100000210206_100000731052 [1,1,0,0,0,0|1,0,1]=4 1861 B9R0.53 CC(C)CC(C)SC(C)C 62a_100000731052_100000210206 [1,1,0,0,0,0|1,0,1]=4 1862 B9R0.56 CC(=CCNC(C)(C)C)C 2230a_100000715429_100000761012 [1,1,0,0,0,0|1,0,0]=3 1863 B9R0.56 CC(=CCNC(C)(C)C)C 34a_100000718196_100000210625 [1,1,0,0,0,0|1,0,0]=3 1864 B9R0.56 CC(=CCOC(C)(C)C)C 34a_100000753907_100000210625 [1,1,0,0,0,0|1,0,0]=3 1865 B9R0.56 CC(=CCOC(C)(C)C)C 34a_100015890283_100000761012 [1,1,0,0,0,0|1,0,0]=3 1866 B9R0.56 CC(=CCOC(C)(C)C)C 7a_100015890283_100000761012 [1,1,0,0,0,0|1,0,0]=3 1867 B9R0.56 CC(=CCSC(C)(C)C)C 62a_100000211941_100000761012 [1,1,0,0,0,0|1,0,0]=3 1868 B9R0.56 CC(=CCSC(C)(C)C)C 62a_100000761012_100000211941 [1,1,0,0,0,0|1,0,0]=3 1869 B9R0.56 CC(=O)NCCC(C)(C)C 11a_100000738805_100015343762 [1,1,0,0,0,0|2,0,0]=4 1870 B9R0.56 CC(=O)NCCC(C)(C)C 1626a_100000738805_100015343762 [1,1,0,0,0,0|2,0,0]=4 1871 B9R0.56 CC(=O)NCCC(C)(C)C 240690a_100000738805_100015343762 [1,1,0,0,0,0|2,0,0]=4 1872 B9R0.56 CC(=O)NCCC(C)(C)C 527a_100000738805_100103153847 [1,1,0,0,0,0|2,0,0]=4 1873 B9R0.56 CC(=O)NCCC(C)(C)F 11a_100016253952_100015343762 [1,1,0,0,0,0|2,0,0]=4 1874 B9R0.56 CC(=O)NCCC(C)(C)F 1626a_100016253952_100015343762 [1,1,0,0,0,0|2,0,0]=4 1875 B9R0.56 CC(=O)NCCC(C)(C)F 240690a_100016253952_100015343762 [1,1,0,0,0,0|2,0,0]=4 1876 B9R0.56 CC(=O)NCCC(C)(C)F 527a_100016253952_100103153847 [1,1,0,0,0,0|2,0,0]=4 1877 B9R0.56 CC(=O)NCCC(C)(C)O 1626a_100000707701_100015343762 [1,1,0,0,0,0|2,0,0]=4 1878 B9R0.56 CC(=O)NCCC(C)(C)O 527a_100000707701_100103153847 [1,1,0,0,0,0|2,0,0]=4 1879 B9R0.56 CC(C)CCNC(C)(C)C 2230a_100000715429_100000210312 [1,1,0,0,0,0|1,0,1]=4 1880 B9R0.56 CC(C)CCOC(C)(C)C 34a_100000210254_100000210625 [1,1,0,0,0,0|1,0,1]=4 1881 B9R0.56 CC(C)CCOC(C)(C)C 34a_100015890283_100000210312 [1,1,0,0,0,0|1,0,1]=4 1882 B9R0.56 CC(C)CCOC(C)(C)C 7a_100015890283_100000210626 [1,1,0,0,0,0|1,0,1]=4 1883 B9R0.56 CC(C)CCSC(C)(C)C 62a_100000210312_100000211941 [1,1,0,0,0,0|1,0,1]=4 1884 B9R0.56 CC(C)CCSC(C)(C)C 62a_100000211941_100000210312 [1,1,0,0,0,0|1,0,1]=4 1885 B9R0.56 CC(C)NCCC(C)(C)C 2230a_100000738805_100000210206 [1,1,0,0,0,0|1,0,1]=4 1886 B9R0.56 CC(C)NCCC(C)(C)C 2230a_100138425928_100000755188 [1,1,0,0,0,0|1,0,1]=4 1887 B9R0.56 CC(C)NCCC(C)(C)C 34a_100138425928_100000755188 [1,1,0,0,0,0|1,0,1]=4 1888 B9R0.56 CC(C)NCCC(C)(C)F 2230a_100016253952_100000210206 [1,1,0,0,0,0|1,0,1]=4 1889 B9R0.56 CC(C)NCCC(C)(C)O 2230a_100138425928_100000702414 [1,1,0,0,0,0|1,0,1]=4 1890 B9R0.56 CC(C)NCCC(C)(C)O 34a_100138425928_100000702414 [1,1,0,0,0,0|1,0,1]=4 1891 B9R0.56 CC(C)OCCC(C)(C)C 34a_100000212225_100000755188 [1,1,0,0,0,0|1,0,1]=4 1892 B9R0.56 CC(C)OCCC(C)(C)C 7a_100000765024_100000210206 [1,1,0,0,0,0|1,0,1]=4 1893 B9R0.56 CC(C)OCCC(C)(C)O 34a_100000212225_100000702414 [1,1,0,0,0,0|1,0,1]=4 1894 B9R0.56 CC(C)SCCC(C)(C)C 62a_100000210206_100000755188 [1,1,0,0,0,0|1,0,1]=4 1895 B9R0.56 CC(C)SCCC(C)(C)C 62a_100000755188_100000210206 [1,1,0,0,0,0|1,0,1]=4 1896 B9R0.56 CC(C)SCCC(C)(C)O 62a_100000210206_100000702414 [1,1,0,0,0,0|1,0,1]=4 1897 B9R0.56 CC(C)SCCC(C)(C)O 62a_100000702414_100000210206 [1,1,0,0,0,0|1,0,1]=4 1898 B9R0.56 CN(C)CCCC(C)(C)O 2230a_100102631434_100009888830 [1,1,0,0,0,0|1,0,1]=4 1899 B9R0.56 CN(C)CCCC(C)(C)O 269982a_100102631434_100009888830 [1,1,0,0,0,0|1,0,1]=4 1900 B9R0.56 C[C@@H](N)CCOC(C)(C)C 34a_100000706166_100000210625 [1,1,0,0,0,0|1,0,1]=4 1901 B9R0.21 CNC(C)CSC(C)(C)C 270004a_106832991635_100000175412 [0,1,0,0,1,0|1,0,1]=4 1902 B9R0.23 C=C(CC(C)C)C(C)NC 269862a_106832991636_100009860644 [0,1,0,0,1,0|0,0,2]=4 1903 B9R0.23 CCC(C)C(=O)C=C(C)C 1458a_100000211388_100000758301 [0,1,0,0,1,0|1,0,1]=4 1904 B9R0.42 C=C(C)C(=O)CC(C)CC 1458a_100000185857_100000748023 [0,1,0,0,1,0|1,0,1]=4 1905 B9R0.42 C=C(C)C(=O)C[C@@H](C)CC 1458a_100000185857_100009816398 [0,1,0,0,1,0|1,0,1]=4 1906 B9R0.42 CCC(C)CC(=O)C(C)C 1458a_100000210198_100000748023 [0,1,0,0,1,0|1,0,1]=4 1907 B9R0.42 CCC(C)CC(=O)C(C)C 1458a_100000708755_100000210206 [0,1,0,0,1,0|1,0,1]=4 1908 B9R0.42 CCC(C)CC(=O)N(C)C 11a_100102631434_100000708755 [0,1,0,0,1,0|2,0,0]=4 1909 B9R0.42 CCC(C)CC(=O)N(C)C 1626a_100102631434_100000708755 [0,1,0,0,1,0|2,0,0]=4 1910 B9R0.42 CCC(C)CC(=O)N(C)C 240690a_100102631434_100000708755 [0,1,0,0,1,0|2,0,0]=4 1911 B9R0.42 CCC(C)CC(=O)N(C)C 527a_100102631434_100000708755 [0,1,0,0,1,0|2,0,0]=4 1912 B9R0.42 CCC(C)CC(C)N(C)C 270004a_100102631434_100011710205 [0,1,0,0,1,0|2,0,0]=4 1913 B9R0.42 CC[C@H](C)CC(=O)C(C)C 1458a_100000210198_100009816398 [0,1,0,0,1,0|1,0,1]=4 1914 B9R0.43 CCC(CCC(C)C)OC 34a_100011216567_200000210301 [0,1,0,0,1,0|1,0,1]=4 1915 B9R0.43 CCC(CCC(C)C)OC 7a_100011216567_200000210301 [0,1,0,0,1,0|1,0,1]=4 1916 B9R0.43 CCC(CCC(C)C)O[13CH3] 34a_100011216567_200025704644 [0,1,0,0,1,0|1,0,1]=4 1917 B9R0.43 CCC(CCC(C)C)O[13CH3] 7a_100011216567_200025704644 [0,1,0,0,1,0|1,0,1]=4 1918 B9R0.43 CCN(CC)CC=C(C)C 2230a_100000724800_100000761012 [0,1,0,0,1,0|2,0,0]=4 1919 B9R0.43 CCN(CC)CC=C(C)C 269956a_100000042499_100000761012 [0,1,0,0,1,0|2,0,0]=4 1920 B9R0.43 CCN(CC)CC=C(C)C 269982a_100000724800_100000761012 [0,1,0,0,1,0|2,0,0]=4 1921 B9R0.43 COC(CCC(=O)C)OC 1458a_100000070787_100000139399 [0,1,0,0,1,0|2,0,0]=4 1922 B9R0.43 COC(CCC(=O)C)OC 1458a_200000082759_200000210301 [0,1,0,0,1,0|2,0,0]=4 1923 B9R0.43 COC(CCC(=O)[13CH3])OC 1458a_200000082759_200025704644 [0,1,0,0,1,0|2,0,0]=4 1924 B9R0.43 COC(CCN(C)C)OC 2230a_100102631434_100009813347 [0,1,0,0,1,0|2,0,0]=4 1925 B9R0.43 COC(CCN(C)C)OC 269982a_100102631434_100000139399 [0,1,0,0,1,0|2,0,0]=4 1926 B9R0.64 CC(C)CCC(C)(C)O[13CH3] 7a_200011218267_200025704644 [0,1,0,0,1,0|1,0,1]=4 1927 B9R0.64 CC(C)CCC(C)(C)S[13CH3] 62a_200000037585_200025704644 [0,1,0,0,1,0|1,0,1]=4 1928 B9R0.64 CC(C)CCC(C)(C)S[13CH3] 62a_200025704644_200000037585 [0,1,0,0,1,0|1,0,1]=4 1929 B9R0.64 CNC(C)(C)CCC(C)C 34a_100102657272_200000037585 [0,1,0,0,1,0|0,0,1]=3 1930 B9R0.64 COC(C)(C)CCC(C)C 34a_100138415774_200000037585 [0,1,0,0,1,0|1,0,1]=4 1931 B9R0.64 COC(C)(C)CCC(C)C 7a_200011218267_200000210301 [0,1,0,0,1,0|1,0,1]=4 1932 B9R0.64 CSC(C)(C)CCC(C)C 62a_200000037585_200000210301 [0,1,0,0,1,0|1,0,1]=4 1933 B9R0.64 CSC(C)(C)CCC(C)C 62a_200000210301_200000037585 [0,1,0,0,1,0|1,0,1]=4 1934 B11R0.22 C#CC(CC)OCCC=C(C)C 34a_100000758843_100011217483 [0,1,0,0,0,1|1,0,1]=4 1935 B11R0.22 C#CC(CC)OCCC=C(C)C 7a_100000758843_100011217483 [0,1,0,0,0,1|1,0,1]=4 1936 B11R0.22 C=CC(CC)OCCC=C(C)C 34a_100000766422_100011217483 [0,1,0,0,0,1|1,0,1]=4 1937 B11R0.22 C=CC(CC)OCCC=C(C)C 7a_100000766422_100011217483 [0,1,0,0,0,1|1,0,1]=4 1938 B11R0.22 C=C[C@@H](CO)NCCC=C(C)C 2230a_100016989147_100011217483 [0,1,0,0,0,1|1,0,1]=4 1939 B11R0.22 C=C[C@@H](CO)NCCC=C(C)C 34a_100016989147_100011217483 [0,1,0,0,0,1|1,0,1]=4 1940 B11R0.22 CC(=CCCNC(CO)CO)C 2230a_100000759517_100011217483 [0,1,0,0,0,1|2,0,0]=4 1941 B11R0.22 CC(=CCCOC(CCl)CCl)C 7a_100000737055_100011217483 [0,1,0,0,0,1|2,0,0]=4 1942 B11R0.22 CC(=CCCOC(CF)CF)C 34a_100000032261_100011217483 [0,1,0,0,0,1|2,0,0]=4 1943 B11R0.22 CC(=CCCOC(CF)CF)C 7a_100000032261_100011217483 [0,1,0,0,0,1|2,0,0]=4 1944 B11R0.22 CC(=CCCOC(CN)CN)C 34a_100000031598_100011217483 [0,1,0,0,0,1|2,0,0]=4 1945 B11R0.22 CC(=CCCO[C@@H](CF)CCl)C 34a_100015614560_100011217483 [0,1,0,0,0,1|2,0,0]=4 1946 B11R0.22 CC(=CCCO[C@@H](CF)CCl)C 7a_100015614560_100011217483 [0,1,0,0,0,1|2,0,0]=4 1947 B11R0.22 CCC(CC)CNCC=C(C)C 2230a_100102946423_100000761012 [0,1,0,0,0,1|1,0,0]=3 1948 B11R0.22 CCC(CC)CNCC=C(C)C 270004a_100000718196_100000211137 [0,1,0,0,0,1|1,0,0]=3 1949 B11R0.22 CCC(CC)CNCC=C(C)C 34a_100000718196_100011215472 [0,1,0,0,0,1|1,0,0]=3 1950 B11R0.22 CCC(CC)COCC=C(C)C 34a_100000753907_100011215472 [0,1,0,0,0,1|1,0,0]=3 1951 B11R0.22 CCC(CC)COCC=C(C)C 7a_100000703878_100000761012 [0,1,0,0,0,1|1,0,0]=3 1952 B11R0.22 CCC(CC)CSCC=C(C)C 62a_100000761012_100011215472 [0,1,0,0,0,1|1,0,0]=3 1953 B11R0.22 CCC(CC)CSCC=C(C)C 62a_100011215472_100000761012 [0,1,0,0,0,1|1,0,0]=3 1954 B11R0.22 CCC(CC)NCCC=C(C)C 2230a_100000199018_100011217483 [0,1,0,0,0,1|1,0,0]=3 1955 B11R0.22 CCC(CC)OCCC=C(C)C 7a_100000688536_100011217483 [0,1,0,0,0,1|1,0,0]=3 1956 B11R0.22 CCC(CC)SCCC=C(C)C 62a_100000210505_100011217483 [0,1,0,0,0,1|1,0,0]=3 1957 B11R0.22 CCC(CC)SCCC=C(C)C 62a_100011217483_100000210505 [0,1,0,0,0,1|1,0,0]=3 1958 B11R0.22 CCC(COCC=C(C)C)OC 34a_100011934954_100000761012 [0,1,0,0,0,1|1,0,0]=3 1959 B11R0.22 CCC(COCC=C(C)C)OC 7a_100011934954_100000761012 [0,1,0,0,0,1|1,0,0]=3 1960 B11R0.22 CCN(CC)COCC=C(C)C 7a_200015374951_100000761012 [0,1,0,0,0,1|2,0,0]=4 1961 B11R0.22 CC[C@@H](CO)NCCC=C(C)C 2230a_100000709445_100011217483 [0,1,0,0,0,1|1,0,0]=3 1962 B11R0.22 COC(CNCC=C(C)C)OC 270004a_100000718196_100000752162 [0,1,0,0,0,1|1,0,0]=3 1963 B11R0.22 COC(CNCC=C(C)C)OC 34a_100000718196_100000211822 [0,1,0,0,0,1|1,0,0]=3 1964 B11R0.22 COC(COCC=C(C)C)OC 34a_100000753907_100000211822 [0,1,0,0,0,1|1,0,0]=3 1965 B11R0.22 COC(COCC=C(C)C)OC 34a_100011216393_100000761012 [0,1,0,0,0,1|1,0,0]=3 1966 B11R0.22 COC(CSCC=C(C)C)OC 62a_100000751394_100000761012 [0,1,0,0,0,1|1,0,0]=3 1967 B11R0.22 COC(CSCC=C(C)C)OC 62a_100000761012_100000751394 [0,1,0,0,0,1|1,0,0]=3 1968 B11R0.29 CC(=CCCNC(C)C(C)C)C 2230a_100000211541_100011217483 [0,1,0,0,0,1|1,0,0]=3 1969 B11R0.29 CC(=CCCN[C@@H](C)C(=O)O)C 269956a_100000743915_100011217483 [0,1,0,0,0,1|2,0,0]=4 1970 B11R0.29 CC(=CCCN[C@H](C)C(=O)N)C 2230a_100000119354_100011217483 [0,1,0,0,0,1|2,0,0]=4 1971 B11R0.29 CC(=CCCN[C@H](C)C(=O)N)C 34a_100000119354_100011217483 [0,1,0,0,0,1|2,0,0]=4 1972 B11R0.29 CC(=CCCOC(C)C(C)C)C 7a_100000748068_100011217483 [0,1,0,0,0,1|1,0,0]=3 1973 B11R0.29 CC(=CCCO[C@@H](C)C(=O)[O-])C 7a_217856618621_100011217483 [0,1,0,0,0,1|2,0,0]=4 1974 B11R0.29 CC(=CCCO[C@H](C)C(=O)N)C 34a_100000731257_100011217483 [0,1,0,0,0,1|2,0,0]=4 1975 B11R0.29 CC(=CCCO[C@H](C)C(=O)N)C 7a_100000731257_100011217483 [0,1,0,0,0,1|2,0,0]=4 1976 B11R0.29 CC(=CCCSC(C)C(=O)N)C 62a_100000702099_100011217483 [0,1,0,0,0,1|2,0,0]=4 1977 B11R0.29 CC(=CCCSC(C)C(=O)N)C 62a_100011217483_100000702099 [0,1,0,0,0,1|2,0,0]=4 1978 B11R0.29 CC(=CCNCC(=O)N(C)C)C 2230a_100015183351_100000761012 [0,1,0,0,0,1|1,0,1]=4 1979 B11R0.29 CC(=CCNCC(=O)N(C)C)C 34a_100000718196_100000692301 [0,1,0,0,0,1|1,0,1]=4 1980 B11R0.29 CC(=CCNCC(C)C(=O)O)C 269956a_100000749485_100000761012 [0,1,0,0,0,1|2,0,0]=4 1981 B11R0.29 CC(=CCNCC(O)C(C)C)C 2230a_100000759067_100000761012 [0,1,0,0,0,1|2,0,0]=4 1982 B11R0.29 CC(=CCNCC(O)C(C)C)C 34a_100000759067_100000761012 [0,1,0,0,0,1|2,0,0]=4 1983 B11R0.29 CC(=CCOCC(=O)N(C)C)C 34a_100000753907_100000692301 [0,1,0,0,0,1|1,0,1]=4 1984 B11R0.29 CC(=CCOCC(C)[N+](=O)[O-])C 34a_100000039676_100000761012 [0,1,0,0,0,1|1,0,1]=4 1985 B11R0.29 CC(=CCOCC(C)[N+](=O)[O-])C 7a_100000039676_100000761012 [0,1,0,0,0,1|1,0,1]=4 1986 B11R0.29 CC(=CCOC[C@H](N)C(C)C)C 34a_100011830312_100000761012 [0,1,0,0,0,1|2,0,0]=4 1987 B11R0.29 CC(=CCSCC(=O)N(C)C)C 62a_100000692301_100000761012 [0,1,0,0,0,1|1,0,1]=4 1988 B11R0.29 CC(=CCSCC(=O)N(C)C)C 62a_100000761012_100000692301 [0,1,0,0,0,1|1,0,1]=4 1989 B11R0.29 CC(=O)C(C)COCC=C(C)C 34a_100000032740_100000761012 [0,1,0,0,0,1|1,0,0]=3 1990 B11R0.29 CC(=O)C(C)COCC=C(C)C 7a_100000032740_100000761012 [0,1,0,0,0,1|1,0,0]=3 1991 B11R0.29 CC(=O)C(C)OCCC=C(C)C 34a_100000212229_100011217483 [0,1,0,0,0,1|1,0,0]=3 1992 B11R0.29 CC(=O)C(C)SCCC=C(C)C 62a_100009814033_100011217483 [0,1,0,0,0,1|1,0,0]=3 1993 B11R0.29 CC(=O)C(C)SCCC=C(C)C 62a_100011217483_100009814033 [0,1,0,0,0,1|1,0,0]=3 1994 B11R0.29 CC(C)COCCC(C)N(C)C 270004a_100102631434_200011216429 [0,1,0,0,0,1|0,0,2]=4 1995 B11R0.93 C=CC(C)CC(=O)CC=C(C)C 1458a_100011934298_100000761012 [0,1,0,0,0,1|1,0,1]=4 1996 B11R0.93 CC(=CCC(=O)C[C@@H](C)CO)C 1458a_100011220947_100000059175 [0,1,0,0,0,1|2,0,0]=4 1997 B11R0.93 CCC(C)CC(=O)CC=C(C)C 1458a_100000708755_100000761012 [0,1,0,0,0,1|1,0,0]=3 1998 B11R0.93 CCC(C)CC(=O)CC=C(C)C 1458a_100011220947_100000748023 [0,1,0,0,0,1|1,0,0]=3 1999 B11R0.93 CCC(C)CN(C)CC=C(C)C 2230a_100000753921_100000761012 [0,1,0,0,0,1|1,0,0]=3 2000 B11R0.93 CCC(C)CN(C)CC=C(C)C 269982a_100000753921_100000761012 [0,1,0,0,0,1|1,0,0]=3 2001 B11R0.93 CCC(C)NC(=O)CC=C(C)C 11a_100000209981_100011220947 [0,1,0,0,0,1|1,0,1]=4 2002 B11R0.93 CCC(C)NC(=O)CC=C(C)C 1626a_100000209981_100011220947 [0,1,0,0,0,1|1,0,1]=4 2003 B11R0.93 CCC(C)NC(=O)CC=C(C)C 240690a_100000209981_100011220947 [0,1,0,0,0,1|1,0,1]=4 2004 B11R0.93 CCC(C)NC(=O)CC=C(C)C 527a_100000209981_100011220947 [0,1,0,0,0,1|1,0,1]=4 2005 B11R0.93 CCC(O)CC(=O)CC=C(C)C 1458a_100011220947_100011218378 [0,1,0,0,0,1|2,0,0]=4 2006 B11R0.93 CCC(O)CC(=O)CC=C(C)C 1458a_100011667805_100000761012 [0,1,0,0,0,1|2,0,0]=4 2007 B11R0.93 CCN(C)CC(=O)CC=C(C)C 1458a_100116209913_100000761012 [0,1,0,0,0,1|2,0,0]=4 2008 B11R0.93 CC[C@H](C)CC(=O)CC=C(C)C 1458a_100011220947_100009816398 [0,1,0,0,0,1|1,0,0]=3 2009 B11R0.93 CNC(=O)CC(=O)CC=C(C)C 1458a_100011220947_100000183359 [0,1,0,0,0,1|1,0,1]=4 2010 B11R0.93 CNC(=O)CN(C)CC=C(C)C 2230a_100000189611_100000761012 [0,1,0,0,0,1|1,0,1]=4 2011 B11R0.106 C#C/C(=C\COCC(C)CC)/C 34a_100016990848_100000748023 [0,1,0,0,0,1|1,0,1]=4 2012 B11R0.106 C#C/C(=C\COC[C@@H](C)CC)/C 34a_100016990848_100009816398 [0,1,0,0,0,1|1,0,1]=4 2013 B11R0.107 C=C(C)CC(=O)CCC(C)CC 1458a_100000701222_100000748629 [0,1,0,0,0,1|1,0,1]=4 2014 B11R0.107 CC(=CC(C)OC[C@@H](C)CO)C 34a_100000717055_100000059175 [0,1,0,0,0,1|2,0,0]=4 2015 B11R0.107 CCC(C)CCC(=O)CC(C)C 1458a_100000701222_100000210624 [0,1,0,0,0,1|1,0,1]=4 2016 B11R0.107 CCC(C)CCC(=O)NC(C)C 11a_100138425928_100000701222 [0,1,0,0,0,1|1,0,1]=4 2017 B11R0.107 CCC(C)CCC(=O)NC(C)C 1626a_100138425928_100000701222 [0,1,0,0,0,1|1,0,1]=4 2018 B11R0.107 CCC(C)CCC(=O)NC(C)C 240690a_100138425928_100000701222 [0,1,0,0,0,1|1,0,1]=4 2019 B11R0.107 CCC(C)CCC(=O)NC(C)C 527a_100138425928_100000701222 [0,1,0,0,0,1|1,0,1]=4 2020 B11R0.107 CCC(C)CNC(=O)C=C(C)C 11a_100020588543_100000211388 [0,1,0,0,0,1|1,0,1]=4 2021 B11R0.107 CCC(C)CNC(=O)C=C(C)C 1626a_100020588543_100000211388 [0,1,0,0,0,1|1,0,1]=4 2022 B11R0.107 CCC(C)CNC(=O)C=C(C)C 240690a_100020588543_100000211388 [0,1,0,0,0,1|1,0,1]=4 2023 B11R0.107 CCC(C)COC(C)C=C(C)C 34a_100000717055_100000748023 [0,1,0,0,0,1|1,0,0]=3 2024 B11R0.107 CCC(O)COC(C)C=C(C)C 34a_100000717055_100011218378 [0,1,0,0,0,1|2,0,0]=4 2025 B11R0.107 CC[C@H](C)COC(C)C=C(C)C 34a_100000717055_100009816398 [0,1,0,0,0,1|1,0,0]=3 2026 B11R0.107 CNC(=O)COC(C)C=C(C)C 34a_100000717055_100000183359 [0,1,0,0,0,1|1,0,1]=4 2027 B11R0.107 CO[C@H](C)CNC(=O)C=C(C)C 11a_100020591295_100000211388 [0,1,0,0,0,1|1,0,1]=4 2028 B11R0.107 CO[C@H](C)CNC(=O)C=C(C)C 1626a_100020591295_100000211388 [0,1,0,0,0,1|1,0,1]=4 2029 B11R0.107 CO[C@H](C)CNC(=O)C=C(C)C 240690a_100020591295_100000211388 [0,1,0,0,0,1|1,0,1]=4 2030 B11R0.109 C=C(C)C(=O)NCCC(C)CC 11a_100020591266_100000185857 [0,1,0,0,0,1|1,0,1]=4 2031 B11R0.109 C=C(C)C(=O)NCCC(C)CC 1626a_100020591266_100000185857 [0,1,0,0,0,1|1,0,1]=4 2032 B11R0.109 CCC(C)CCNC(=O)C(C)C 11a_100020591266_100000210198 [0,1,0,0,0,1|1,0,1]=4 2033 B11R0.109 CCC(C)CCNC(=O)C(C)C 1626a_100020591266_100000210198 [0,1,0,0,0,1|1,0,1]=4 2034 B11R0.109 CCC(C)CCNC(=O)C(C)C 240690a_100020591266_100000210198 [0,1,0,0,0,1|1,0,1]=4 2035 B11R0.109 CCC(C)CCNC(=O)C(C)C 527a_100020591266_100000210198 [0,1,0,0,0,1|1,0,1]=4 2036 B11R0.109 CCC(C)CCNC(=O)N(C)C 2708a_100020591266_100102631434 [0,1,0,0,0,1|2,0,0]=4 2037 B11R0.109 CCC(C)CNCC(=O)C(C)C 2230a_100020588543_100000753385 [0,1,0,0,0,1|1,0,1]=4 2038 B11R0.109 CCC(C)CNCC(=O)N(C)C 2230a_100015183351_100000748023 [0,1,0,0,0,1|2,0,0]=4 2039 B11R0.109 CCC(C)CNCC(=O)N(C)C 2230a_100020588543_100000185267 [0,1,0,0,0,1|2,0,0]=4 2040 B11R0.109 CCC(C)CNCC(=O)N(C)C 270004a_100015183351_100000243153 [0,1,0,0,0,1|2,0,0]=4 2041 B11R0.109 CCC(C)CSCC(=O)C(=O)C 62a_100000748023_100011261029 [0,1,0,0,0,1|2,0,0]=4 2042 B11R0.109 CCC(C)CSCC(=O)C(=O)C 62a_100011261029_100000748023 [0,1,0,0,0,1|2,0,0]=4 2043 B11R0.109 CCC(C)CSCC(=O)C(C)C 62a_100000748023_100000753385 [0,1,0,0,0,1|1,0,1]=4 2044 B11R0.109 CCC(C)CSCC(=O)C(C)C 62a_100000753385_100000748023 [0,1,0,0,0,1|1,0,1]=4 2045 B11R0.109 CCC(C)CSCC(=O)N(C)C 62a_100000692301_100000748023 [0,1,0,0,0,1|2,0,0]=4 2046 B11R0.109 CCC(C)CSCC(=O)N(C)C 62a_100000748023_100000692301 [0,1,0,0,0,1|2,0,0]=4 2047 B11R0.109 CCC(C)NCCC(=O)N(C)C 2230a_100000209981_100000737620 [0,1,0,0,0,1|2,0,0]=4 2048 B11R0.109 CCC(C)NCCC(=O)N(C)C 2230a_100000738053_100000758301 [0,1,0,0,0,1|2,0,0]=4 2049 B11R0.109 CCC(C)OCCC(=O)N(C)C 34a_200000747469_100011215416 [0,1,0,0,0,1|2,0,0]=4 2050 B11R0.109 CCC(C)OCCC(=O)N(C)C 7a_100000210228_100000737620 [0,1,0,0,0,1|2,0,0]=4 2051 B11R0.109 CCC(C)SCCC(=O)N(C)C 62a_100000737620_100000758301 [0,1,0,0,0,1|2,0,0]=4 2052 B11R0.109 CCC(C)SCCC(=O)N(C)C 62a_100000758301_100000737620 [0,1,0,0,0,1|2,0,0]=4 2053 B11R0.109 CC[C@H](C)CNCC(=O)N(C)C 2230a_100015183351_100009816398 [0,1,0,0,0,1|2,0,0]=4 2054 B11R0.109 CC[C@H](C)COCC(=O)C(C)C 7a_100009816381_100000753385 [0,1,0,0,0,1|1,0,1]=4 2055 B11R0.109 CC[C@H](C)COCC(=O)N(C)C 7a_100009816381_100000692301 [0,1,0,0,0,1|2,0,0]=4 2056 B11R0.109 CC[C@H](C)CSCC(=O)C(=O)C 62a_100009816398_100011261029 [0,1,0,0,0,1|2,0,0]=4 2057 B11R0.109 CC[C@H](C)CSCC(=O)C(=O)C 62a_100011261029_100009816398 [0,1,0,0,0,1|2,0,0]=4 2058 B11R0.109 CC[C@H](C)CSCC(=O)C(C)C 62a_100000753385_100009816398 [0,1,0,0,0,1|1,0,1]=4 2059 B11R0.109 CC[C@H](C)CSCC(=O)C(C)C 62a_100009816398_100000753385 [0,1,0,0,0,1|1,0,1]=4 2060 B11R0.109 CC[C@H](C)CSCC(=O)N(C)C 62a_100000692301_100009816398 [0,1,0,0,0,1|2,0,0]=4 2061 B11R0.109 CC[C@H](C)CSCC(=O)N(C)C 62a_100009816398_100000692301 [0,1,0,0,0,1|2,0,0]=4 2062 B11R0.109 COC(C)COCC(=O)C(=O)C 34a_100000690652_100011261029 [0,1,0,0,0,1|2,0,0]=4 2063 B11R0.109 COC(C)COCC(=O)C(C)C 34a_100000690652_100000753385 [0,1,0,0,0,1|1,0,1]=4 2064 B11R0.109 COC(C)COCC(=O)N(C)C 34a_100000690652_100000692301 [0,1,0,0,0,1|2,0,0]=4 2065 B11R0.109 COC(C)SCCC(=O)N(C)C 62a_100000737620_100009879195 [0,1,0,0,0,1|2,0,0]=4 2066 B11R0.109 COC(C)SCCC(=O)N(C)C 62a_100009879195_100000737620 [0,1,0,0,0,1|2,0,0]=4 2067 B11R0.109 CO[C@H](C)CNCC(=O)C(C)C 2230a_100020591295_100000753385 [0,1,0,0,0,1|1,0,1]=4 2068 B11R0.109 CO[C@H](C)CNCC(=O)N(C)C 2230a_100020591295_100000185267 [0,1,0,0,0,1|2,0,0]=4 2069 B11R0.127 C#CC(C)(C)NCCC=C(C)C 34a_100000054563_100011217483 [0,1,0,0,0,1|1,0,1]=4 2070 B11R0.127 C#CC(C)(C)OCCC=C(C)C 34a_100000189450_100011217483 [0,1,0,0,0,1|1,0,1]=4 2071 B11R0.127 C#CC(C)(C)OCCC=C(C)C 7a_100000189450_100011217483 [0,1,0,0,0,1|1,0,1]=4 2072 B11R0.127 C#CC(C)(C)SCCC=C(C)C 62a_100000038118_100011217483 [0,1,0,0,0,1|1,0,1]=4 2073 B11R0.127 C#CC(C)(C)SCCC=C(C)C 62a_100011217483_100000038118 [0,1,0,0,0,1|1,0,1]=4 2074 B11R0.127 C=CC(C)(C)OCCC=C(C)C 34a_100011215311_100011217483 [0,1,0,0,0,1|1,0,1]=4 2075 B11R0.127 C=CC(C)(C)OCCC=C(C)C 7a_100011215311_100011217483 [0,1,0,0,0,1|1,0,1]=4 2076 B11R0.127 CC(=CCCNC(C)(C)CO)C 2230a_100000210608_100011217483 [0,1,0,0,0,1|2,0,0]=4 2077 B11R0.127 CC(=CCCOC(C)(C)C#N)C 34a_200015195151_100011217483 [0,1,0,0,0,1|2,0,0]=4 2078 B11R0.127 CC(=CCCOC(C)(C)CCl)C 7a_100000764493_100011217483 [0,1,0,0,0,1|2,0,0]=4 2079 B11R0.127 CC(=CCCSC(C)(C)C#N)C 62a_100011162410_100011217483 [0,1,0,0,0,1|2,0,0]=4 2080 B11R0.127 CC(=CCCSC(C)(C)C#N)C 62a_100011217483_100011162410 [0,1,0,0,0,1|2,0,0]=4 2081 B11R0.127 CC(=CCNCC(C)(C)CO)C 2230a_100020635058_100000761012 [0,1,0,0,0,1|2,0,0]=4 2082 B11R0.127 CC(=CCNCC(C)(C)CO)C 34a_100000718196_100009813988 [0,1,0,0,0,1|2,0,0]=4 2083 B11R0.127 CC(=CCOCC(C)(C)CCl)C 7a_100011217199_100000761012 [0,1,0,0,0,1|2,0,0]=4 2084 B11R0.127 CC(=CCOCC(C)(C)CO)C 34a_100000753907_100009813988 [0,1,0,0,0,1|2,0,0]=4 2085 B11R0.127 CC(=CCSCC(C)(C)CO)C 62a_100000761012_100009813988 [0,1,0,0,0,1|2,0,0]=4 2086 B11R0.127 CC(=CCSCC(C)(C)CO)C 62a_100009813988_100000761012 [0,1,0,0,0,1|2,0,0]=4 2087 B11R0.127 CCC(C)(C)COCC=C(C)C 7a_100000765029_100000761012 [0,1,0,0,0,1|1,0,0]=3 2088 B11R0.127 CCC(C)(C)NCCC=C(C)C 2230a_100000211385_100011217483 [0,1,0,0,0,1|1,0,0]=3 2089 B11R0.127 CCC(C)(C)OCCC=C(C)C 7a_100000210230_100011217483 [0,1,0,0,0,1|1,0,0]=3 2090 B11R0.127 CCC(C)(C)SCCC=C(C)C 62a_100000032637_100011217483 [0,1,0,0,0,1|1,0,0]=3 2091 B11R0.127 CCC(C)(C)SCCC=C(C)C 62a_100011217483_100000032637 [0,1,0,0,0,1|1,0,0]=3 2092 B11R0.127 COC(C)(C)CNCC=C(C)C 2230a_100000763424_100000761012 [0,1,0,0,0,1|1,0,0]=3 2093 B11R0.127 COC(C)(C)CNCC=C(C)C 34a_100000718196_100000701081 [0,1,0,0,0,1|1,0,0]=3 2094 B11R0.127 COC(C)(C)COCC=C(C)C 34a_100000753907_100000701081 [0,1,0,0,0,1|1,0,0]=3 2095 B11R0.127 COC(C)(C)CSCC=C(C)C 62a_100000701081_100000761012 [0,1,0,0,0,1|1,0,0]=3 2096 B11R0.127 COC(C)(C)CSCC=C(C)C 62a_100000761012_100000701081 [0,1,0,0,0,1|1,0,0]=3 2097 B11R0.127 CSC(C)(C)CNCC=C(C)C 270004a_100000718196_100009845794 [0,1,0,0,0,1|1,0,0]=3 2098 B11R0.145 C/C=C(\C)/C(=O)CCC=C(C)C 1458a_100020587367_100011217483 [0,1,0,0,0,1|1,0,1]=4 2099 B11R0.145 C=CC(C)C(=O)CCC=C(C)C 1458a_100011216780_100011217483 [0,1,0,0,0,1|1,0,1]=4 2100 B11R0.145 C=C[C@@H](C)[C@@H](C)OCC=C(C)C 34a_100015455354_100000761012 [0,1,0,0,0,1|1,0,1]=4 2101 B11R0.145 C=C[C@@H](C)[C@@H](C)OCC=C(C)C 7a_100015455354_100000761012 [0,1,0,0,0,1|1,0,1]=4 2102 B11R0.145 CC(=CCCC(=O)C(C)C#N)C 1458a_100000753662_100011217483 [0,1,0,0,0,1|2,0,0]=4 2103 B11R0.145 CC(=CCCN(C)C(C)CO)C 2230a_100000693034_100011217483 [0,1,0,0,0,1|2,0,0]=4 2104 B11R0.145 CC(=CCCN(C)C(C)CO)C 269982a_100000693034_100011217483 [0,1,0,0,0,1|2,0,0]=4 2105 B11R0.145 CCC(C)C(=O)CCC=C(C)C 1458a_100011192722_100011217483 [0,1,0,0,0,1|1,0,0]=3 2106 B11R0.145 CCC(C)C(=O)NCC=C(C)C 11a_100000718196_100011192722 [0,1,0,0,0,1|1,0,1]=4 2107 B11R0.145 CCC(C)C(=O)NCC=C(C)C 1626a_100000718196_100011192722 [0,1,0,0,0,1|1,0,1]=4 2108 B11R0.145 CCC(C)C(=O)NCC=C(C)C 527a_100000718196_100011192722 [0,1,0,0,0,1|1,0,1]=4 2109 B11R0.145 CCC(C)C(C)NCC=C(C)C 270004a_100000718196_100000210599 [0,1,0,0,0,1|1,0,0]=3 2110 B11R0.145 CCC(C)C(C)OCC=C(C)C 7a_100011215189_100000761012 [0,1,0,0,0,1|1,0,0]=3 2111 B11R0.145 CCC(C)N(C)CCC=C(C)C 2230a_100000741768_100011217483 [0,1,0,0,0,1|1,0,0]=3 2112 B11R0.145 CCC(C)N(C)CCC=C(C)C 269982a_100000741768_100011217483 [0,1,0,0,0,1|1,0,0]=3 2113 B11R0.145 CCC(O)C(=O)CCC=C(C)C 1458a_100011196387_100011217483 [0,1,0,0,0,1|2,0,0]=4 2114 B11R0.145 CNC(=O)C(=O)CCC=C(C)C 1458a_100011218921_100011217483 [0,1,0,0,0,1|1,0,1]=4 2115 B11R0.145 CNC(=O)C(C)NCC=C(C)C 34a_100000718196_100000731044 [0,1,0,0,0,1|1,0,1]=4 2116 B11R0.145 CNC(=O)C(C)OCC=C(C)C 34a_100000753907_100000731044 [0,1,0,0,0,1|1,0,1]=4 2117 B11R0.145 CNC(=O)C(C)SCC=C(C)C 62a_100000209862_100000761012 [0,1,0,0,0,1|1,0,1]=4 2118 B11R0.145 CNC(=O)C(C)SCC=C(C)C 62a_100000761012_100000731044 [0,1,0,0,0,1|1,0,1]=4 2119 B11R0.145 CNC(=O)C(F)NCC=C(C)C 34a_100000718196_100009813575 [0,1,0,0,0,1|1,0,1]=4 2120 B11R0.145 CNC(=O)C(F)OCC=C(C)C 34a_100000753907_100009813575 [0,1,0,0,0,1|1,0,1]=4 2121 B11R0.145 CNC(=O)C(F)SCC=C(C)C 62a_100000761012_100009813575 [0,1,0,0,0,1|1,0,1]=4 2122 B11R0.145 CNC(=O)C(F)SCC=C(C)C 62a_100009813575_100000761012 [0,1,0,0,0,1|1,0,1]=4 2123 B11R0.145 CNC(=O)[C@@H](C)NCC=C(C)C 2230a_100000684985_100000761012 [0,1,0,0,0,1|1,0,1]=4 2124 B11R0.145 CNC(=O)[C@@H](C)NCC=C(C)C 34a_100000684985_100000761012 [0,1,0,0,0,1|1,0,1]=4 2125 B11R0.145 COC(C)C(=O)CCC=C(C)C 1458a_100000743197_100011217483 [0,1,0,0,0,1|1,0,0]=3 2126 B11R0.145 COC(C)C(=O)NCC=C(C)C 11a_100000718196_100000743197 [0,1,0,0,0,1|1,0,1]=4 2127 B11R0.145 COC(C)C(=O)NCC=C(C)C 1626a_100000718196_100000743197 [0,1,0,0,0,1|1,0,1]=4 2128 B11R0.145 COC(C)C(=O)NCC=C(C)C 527a_100000718196_100000743197 [0,1,0,0,0,1|1,0,1]=4 2129 B11R0.145 CSC(C)C(=O)CCC=C(C)C 1458a_100000149566_100011217483 [0,1,0,0,0,1|1,0,0]=3 2130 B11R0.145 CSC(C)C(=O)NCC=C(C)C 11a_100000718196_100000149566 [0,1,0,0,0,1|1,0,1]=4 2131 B11R0.145 CSC(C)C(=O)NCC=C(C)C 1626a_100000718196_100000149566 [0,1,0,0,0,1|1,0,1]=4 2132 B11R0.145 CSC(C)C(=O)NCC=C(C)C 527a_100000718196_100000149566 [0,1,0,0,0,1|1,0,1]=4 2133 B11R0.176 C#CCC(C)OCCC=C(C)C 34a_100000685586_100011217483 [0,1,0,0,0,1|1,0,1]=4 2134 B11R0.176 C#CCC(C)OCCC=C(C)C 7a_100000685586_100011217483 [0,1,0,0,0,1|1,0,1]=4 2135 B11R0.176 C/C=C/C(C)OCCC=C(C)C 34a_200102604097_100011217483 [0,1,0,0,0,1|1,0,0]=3 2136 B11R0.176 C=CCC(C)COCC=C(C)C 34a_100009832082_100000761012 [0,1,0,0,0,1|1,0,1]=4 2137 B11R0.176 C=CCC(C)COCC=C(C)C 7a_100009832082_100000761012 [0,1,0,0,0,1|1,0,1]=4 2138 B11R0.176 C=CC[C@@H](C)OCCC=C(C)C 34a_100000731007_100011217483 [0,1,0,0,0,1|1,0,1]=4 2139 B11R0.176 C=CC[C@@H](C)OCCC=C(C)C 7a_100000731007_100011217483 [0,1,0,0,0,1|1,0,1]=4 2140 B11R0.176 CC#CC(C)OCCC=C(C)C 34a_100011216543_100011217483 [0,1,0,0,0,1|1,0,0]=3 2141 B11R0.176 CC(=CCCN[C@@H](C)CC#N)C 2230a_100016994482_100011217483 [0,1,0,0,0,1|1,0,1]=4 2142 B11R0.176 CC(=CCCN[C@H](C)CCO)C 2230a_100000706166_100011217483 [0,1,0,0,0,1|1,0,0]=3 2143 B11R0.176 CC(=CCCN[C@H](C)CCO)C 34a_100000706166_100011217483 [0,1,0,0,0,1|1,0,0]=3 2144 B11R0.176 CC(=CCCOC(C)CCBr)C 34a_100012276601_100011217483 [0,1,0,0,0,1|1,0,0]=3 2145 B11R0.176 CC(=CCCSC(C)CC#N)C 62a_100009813641_100011217483 [0,1,0,0,0,1|1,0,1]=4 2146 B11R0.176 CC(=CCCSC(C)CC#N)C 62a_100011217483_100009813641 [0,1,0,0,0,1|1,0,1]=4 2147 B11R0.176 CC(=CCCSC(C)CCO)C 62a_100009893172_100011217483 [0,1,0,0,0,1|1,0,0]=3 2148 B11R0.176 CC(=CCCSC(C)CCO)C 62a_100011217483_100009893172 [0,1,0,0,0,1|1,0,0]=3 2149 B11R0.176 CC(=CCNCC(=O)NCO)C 34a_100000718196_100000185155 [0,1,0,0,0,1|1,0,1]=4 2150 B11R0.176 CC(=CCOCC(=O)NCO)C 34a_100000753907_100000185155 [0,1,0,0,0,1|1,0,1]=4 2151 B11R0.176 CC(=CCOCC(C)CCN)C 34a_106354213184_100000761012 [0,1,0,0,0,1|1,0,0]=3 2152 B11R0.176 CC(=CCSCC(=O)NCO)C 62a_100000185155_100000761012 [0,1,0,0,0,1|1,0,1]=4 2153 B11R0.176 CC(=CCSCC(=O)NCO)C 62a_100000761012_100000185155 [0,1,0,0,0,1|1,0,1]=4 2154 B11R0.176 CCCC(C)CNCC=C(C)C 270004a_100000718196_100000243154 [0,1,0,0,0,1|1,0,0]=3 2155 B11R0.176 CCCC(C)CNCC=C(C)C 34a_100000718196_100011216630 [0,1,0,0,0,1|1,0,0]=3 2156 B11R0.176 CCCC(C)COCC=C(C)C 34a_100000688023_100000761012 [0,1,0,0,0,1|1,0,0]=3 2157 B11R0.176 CCCC(C)COCC=C(C)C 34a_100000753907_100011216630 [0,1,0,0,0,1|1,0,0]=3 2158 B11R0.176 CCCC(C)COCC=C(C)C 7a_100000688023_100000761012 [0,1,0,0,0,1|1,0,0]=3 2159 B11R0.176 CCCC(C)CSCC=C(C)C 62a_100000761012_100011216630 [0,1,0,0,0,1|1,0,0]=3 2160 B11R0.176 CCCC(C)CSCC=C(C)C 62a_100011216630_100000761012 [0,1,0,0,0,1|1,0,0]=3 2161 B11R0.176 CCCC(C)NCCC=C(C)C 2230a_100000741246_100011217483 [0,1,0,0,0,1|1,0,0]=3 2162 B11R0.176 CCCC(C)OCCC=C(C)C 34a_100000764384_100011217483 [0,1,0,0,0,1|1,0,0]=3 2163 B11R0.176 CCCC(C)OCCC=C(C)C 7a_100000764384_100011217483 [0,1,0,0,0,1|1,0,0]=3 2164 B11R0.176 CCCC(C)SCCC=C(C)C 62a_100000766640_100011217483 [0,1,0,0,0,1|1,0,0]=3 2165 B11R0.176 CCCC(C)SCCC=C(C)C 62a_100011217483_100000766640 [0,1,0,0,0,1|1,0,0]=3 2166 B11R0.176 CCC[C@H](N)COCC=C(C)C 34a_100000732646_100000761012 [0,1,0,0,0,1|2,0,0]=4 2167 B11R0.176 CCNC(=O)CNCC=C(C)C 2230a_100016988866_100000761012 [0,1,0,0,0,1|1,0,1]=4 2168 B11R0.176 CCNC(=O)CNCC=C(C)C 34a_100000718196_100000183381 [0,1,0,0,0,1|1,0,1]=4 2169 B11R0.176 CCNC(=O)COCC=C(C)C 34a_100000753907_100000183381 [0,1,0,0,0,1|1,0,1]=4 2170 B11R0.176 CCNC(=O)CSCC=C(C)C 62a_100000183381_100000761012 [0,1,0,0,0,1|1,0,1]=4 2171 B11R0.176 CCNC(=O)CSCC=C(C)C 62a_100000761012_100000183381 [0,1,0,0,0,1|1,0,1]=4 2172 B11R0.176 CCNC(C)CCOCC(C)C 270004a_100015525214_200011216429 [0,1,0,0,0,1|0,0,2]=4 2173 B11R0.176 COCC(C)SCCC=C(C)C 62a_100000765312_100011217483 [0,1,0,0,0,1|1,0,0]=3 2174 B11R0.176 COCC(C)SCCC=C(C)C 62a_100011217483_100000765312 [0,1,0,0,0,1|1,0,0]=3 2175 B11R0.176 COCC(N)COCC=C(C)C 34a_100000724102_100000761012 [0,1,0,0,0,1|2,0,0]=4 2176 B11R0.176 COCC(O)CNCC=C(C)C 2230a_100000756049_100000761012 [0,1,0,0,0,1|2,0,0]=4 2177 B11R0.176 COCC(O)CNCC=C(C)C 34a_100000718196_100011215053 [0,1,0,0,0,1|2,0,0]=4 2178 B11R0.176 COCC(O)CNCC=C(C)C 34a_100000756049_100000761012 [0,1,0,0,0,1|2,0,0]=4 2179 B11R0.176 COCC(O)COCC=C(C)C 34a_100000753907_100011215053 [0,1,0,0,0,1|2,0,0]=4 2180 B11R0.176 COCC(O)CSCC=C(C)C 62a_100000761012_100011215053 [0,1,0,0,0,1|2,0,0]=4 2181 B11R0.176 COCC(O)CSCC=C(C)C 62a_100011215053_100000761012 [0,1,0,0,0,1|2,0,0]=4 2182 B11R0.176 COC[C@@H](C)NCCC=C(C)C 2230a_100000764878_100011217483 [0,1,0,0,0,1|1,0,0]=3 2183 B11R0.176 COC[C@@H](C)OCCC=C(C)C 34a_100011934205_100011217483 [0,1,0,0,0,1|1,0,0]=3 2184 B11R0.1 CC(=CC(C)OC(C)CCO)C 34a_100000717055_100009893172 [0,2,0,0,0,0|2,0,0]=4 2185 B11R0.1 CCCC(C)CC(=O)C=C(C)C 1458a_100000211388_100011216630 [0,2,0,0,0,0|1,0,1]=4 2186 B11R0.1 CCCC(C)OC(C)C=C(C)C 34a_100000717055_100000766640 [0,2,0,0,0,0|2,0,0]=4 2187 B11R0.1 COCC(C)OC(C)C=C(C)C 34a_100000717055_100000765312 [0,2,0,0,0,0|2,0,0]=4 2188 B11R0.6 C=C(C)CN(C)CCC=C(C)C 2230a_100000225649_100011217483 [0,2,0,0,0,0|2,0,0]=4 2189 B11R0.6 C=C(C)CN(C)CCC=C(C)C 269982a_100000225649_100011217483 [0,2,0,0,0,0|2,0,0]=4 2190 B11R0.6 CC(=CCCC(=CC(=O)[13CH3])C)C 1458a_100016995320_200025704644 [0,2,0,0,0,0|1,0,1]=4 2191 B11R0.6 CC(=CCCC(=O)CN(C)C)C 1458a_100000750896_100011217483 [0,2,0,0,0,0|1,0,1]=4 2192 B11R0.6 CC(=CCCC(C)CC(=O)[13CH3])C 1458a_100000043202_200025704644 [0,2,0,0,0,0|1,0,0]=3 2193 B11R0.6 CC(=CCCC(C)CN(C)C)C 270004a_100102631434_100000033009 [0,2,0,0,0,0|0,0,0]=2 2194 B11R0.6 CC(=CCCC(C)OC(C)C)C 34a_100102619829_100000210206 [0,2,0,0,0,0|1,0,0]=3 2195 B11R0.6 CC(=CCCC(C)OC(C)C)C 7a_100102619829_100000210206 [0,2,0,0,0,0|1,0,0]=3 2196 B11R0.6 CC(=CCCN(C)CC(C)C)C 2230a_100000747067_100011217483 [0,2,0,0,0,0|2,0,0]=4 2197 B11R0.6 CC(=CCCN(C)CC(C)C)C 269982a_100000747067_100011217483 [0,2,0,0,0,0|2,0,0]=4 2198 B11R0.6 CC(=CCCN(C)CC(C)O)C 2230a_100000227577_100011217483 [0,2,0,0,0,0|2,0,0]=4 2199 B11R0.6 CC(=CCCN(C)CC(C)O)C 269982a_100000227577_100011217483 [0,2,0,0,0,0|2,0,0]=4 2200 B11R0.6 CC(=CCNC(C)CC(C)C)C 2230a_100000692259_100000761012 [0,2,0,0,0,0|2,0,0]=4 2201 B11R0.6 CC(=CCNC(C)CC(C)C)C 34a_100000718196_100000731052 [0,2,0,0,0,0|2,0,0]=4 2202 B11R0.6 CC(=CCOC(C)C=C(C)C)C 34a_100000717055_100000761012 [0,2,0,0,0,0|2,0,0]=4 2203 B11R0.6 CC(=CCOC(C)CC(C)C)C 34a_100000211805_100000761012 [0,2,0,0,0,0|2,0,0]=4 2204 B11R0.6 CC(=CCOC(C)CC(C)C)C 34a_100000753907_100000731052 [0,2,0,0,0,0|2,0,0]=4 2205 B11R0.6 CC(=CCOC(C)CC(C)C)C 7a_100000211805_100000761012 [0,2,0,0,0,0|2,0,0]=4 2206 B11R0.6 CC(=CCSC(C)CC(C)C)C 62a_100000731052_100000761012 [0,2,0,0,0,0|2,0,0]=4 2207 B11R0.6 CC(=CCSC(C)CC(C)C)C 62a_100000761012_100000731052 [0,2,0,0,0,0|2,0,0]=4 2208 B11R0.6 CC(=CCSC(C)CN(C)C)C 62a_100000761012_100020606517 [0,2,0,0,0,0|1,0,0]=3 2209 B11R0.6 CC(=CCSC(C)CN(C)C)C 62a_100020606517_100000761012 [0,2,0,0,0,0|1,0,0]=3 2210 B11R0.6 CC(=O)C=C(C)CCC=C(C)C 1458a_100016995320_200000210301 [0,2,0,0,0,0|1,0,1]=4 2211 B11R0.6 CC(=O)CC(C)CCC=C(C)C 1458a_100000043202_200000210301 [0,2,0,0,0,0|1,0,0]=3 2212 B11R0.6 CC(=O)NC(C)CCCC(C)C 11a_100000210607_100015343762 [0,2,0,0,0,0|0,0,2]=4 2213 B11R0.6 CC(=O)NC(C)CCCC(C)C 1626a_100000210607_100015343762 [0,2,0,0,0,0|0,0,2]=4 2214 B11R0.6 CC(=O)NC(C)CCCC(C)C 240690a_100000210607_100015343762 [0,2,0,0,0,0|0,0,2]=4 2215 B11R0.6 CC(=O)NC(C)CCCC(C)C 527a_100000210607_100103153847 [0,2,0,0,0,0|0,0,2]=4 2216 B11R0.6 CC(=O)OC(C)SCC=C(C)C 62a_100000761012_100009818208 [0,2,0,0,0,0|2,0,0]=4 2217 B11R0.6 CC(=O)OC(C)SCC=C(C)C 62a_100009818208_100000761012 [0,2,0,0,0,0|2,0,0]=4 2218 B11R0.6 CC(C)CCCC(C)NC(C)C 2230a_100000210607_100000210206 [0,2,0,0,0,0|0,0,2]=4 2219 B11R0.45 C#CCC(CC)OCC=C(C)C 34a_200011217983_100000761012 [0,2,0,0,0,0|2,0,0]=4 2220 B11R0.45 C#CCC(CC)OCC=C(C)C 7a_200011217983_100000761012 [0,2,0,0,0,0|2,0,0]=4 2221 B11R0.45 C#CCN(CC)CCC=C(C)C 2230a_100000744766_100011217483 [0,2,0,0,0,0|2,0,0]=4 2222 B11R0.45 C#CCN(CC)CCC=C(C)C 269982a_100000744766_100011217483 [0,2,0,0,0,0|2,0,0]=4 2223 B11R0.45 CC#CC(CC)OCC=C(C)C 34a_200011219922_100000761012 [0,2,0,0,0,0|2,0,0]=4 2224 B11R0.45 CC#CC(CC)OCC=C(C)C 7a_200011219922_100000761012 [0,2,0,0,0,0|2,0,0]=4 2225 B11R0.45 CCC(COC)NCC=C(C)C 2230a_100000757820_100000761012 [0,2,0,0,0,0|2,0,0]=4 2226 B11R0.45 CCC(COC)NCC=C(C)C 270004a_100000718196_100000757811 [0,2,0,0,0,0|2,0,0]=4 2227 B11R0.45 CCC(COC)OCC=C(C)C 7a_200011214946_100000761012 [0,2,0,0,0,0|2,0,0]=4 2228 B11R0.45 CCCC(CC)NCC=C(C)C 2230a_100000747048_100000761012 [0,2,0,0,0,0|2,0,0]=4 2229 B11R0.45 CCCC(CC)NCC=C(C)C 270004a_100000718196_100000687865 [0,2,0,0,0,0|2,0,0]=4 2230 B11R0.45 CCCC(CC)OCC=C(C)C 34a_100000687864_100000761012 [0,2,0,0,0,0|2,0,0]=4 2231 B11R0.45 CCCC(CC)OCC=C(C)C 7a_100000687864_100000761012 [0,2,0,0,0,0|2,0,0]=4 2232 B11R0.45 CCCC(CC)SCC=C(C)C 62a_100000761012_100011219200 [0,2,0,0,0,0|2,0,0]=4 2233 B11R0.45 CCCC(CC)SCC=C(C)C 62a_100011219200_100000761012 [0,2,0,0,0,0|2,0,0]=4 2234 B11R0.45 CCCN(CC)CCC=C(C)C 2230a_100000226822_100011217483 [0,2,0,0,0,0|2,0,0]=4 2235 B11R0.45 CCCN(CC)CCC=C(C)C 269982a_100000226822_100011217483 [0,2,0,0,0,0|2,0,0]=4 2236 B11R0.45 CCC[C@@H](CO)NCC=C(C)C 2230a_100000732646_100000761012 [0,2,0,0,0,0|2,0,0]=4 2237 B11R0.45 CCC[C@@H](CO)NCC=C(C)C 34a_100000732646_100000761012 [0,2,0,0,0,0|2,0,0]=4 2238 B11R0.45 CCN(CCO)CCC=C(C)C 2230a_100000210973_100011217483 [0,2,0,0,0,0|2,0,0]=4 2239 B11R0.45 CCN(CCO)CCC=C(C)C 269982a_100000210973_100011217483 [0,2,0,0,0,0|2,0,0]=4 2240 B11R0.45 CC[C@H](CC#N)NCC=C(C)C 2230a_200009818565_100000761012 [0,2,0,0,0,0|2,0,0]=4 2241 B11R0.45 COCC(CCl)OCC=C(C)C 34a_100011215053_100000761012 [0,2,0,0,0,0|2,0,0]=4 2242 B11R0.45 COCC(CN)OCC=C(C)C 34a_100000756049_100000761012 [0,2,0,0,0,0|2,0,0]=4 2243 B11R0.45 COCC(CO)NCC=C(C)C 2230a_100000724102_100000761012 [0,2,0,0,0,0|2,0,0]=4 2244 B11R0.45 COCC(CO)NCC=C(C)C 34a_100000724102_100000761012 [0,2,0,0,0,0|2,0,0]=4 2245 B11R0.59 CC(=CCC(=O)C(C)CCO)C 1458a_100011220947_100009893172 [0,2,0,0,0,0|1,0,1]=4 2246 B11R0.59 CC(=CCN(C)C(C)CCO)C 2230a_100000731037_100000761012 [0,2,0,0,0,0|2,0,0]=4 2247 B11R0.59 CC(=CCN(C)C(C)CCO)C 269982a_100000731037_100000761012 [0,2,0,0,0,0|2,0,0]=4 2248 B11R0.59 CCCC(C)C(=O)CC=C(C)C 1458a_100000210906_100000761012 [0,2,0,0,0,0|1,0,1]=4 2249 B11R0.59 CCCC(C)C(=O)CC=C(C)C 1458a_100011220947_100000766640 [0,2,0,0,0,0|1,0,1]=4 2250 B11R0.59 CCOC(C)C(=O)CC=C(C)C 1458a_100000739345_100000761012 [0,2,0,0,0,0|1,0,1]=4 2251 B11R0.59 CCSC(C)C(=O)CC=C(C)C 1458a_100000230601_100000761012 [0,2,0,0,0,0|1,0,1]=4 2252 B11R0.59 COCC(C)C(=O)CC=C(C)C 1458a_100000751857_100000761012 [0,2,0,0,0,0|1,0,1]=4 2253 B11R0.59 COCC(C)C(=O)CC=C(C)C 1458a_100011220947_100000765312 [0,2,0,0,0,0|1,0,1]=4 2254 B11R0.59 CSCC(C)C(=O)CC=C(C)C 1458a_100000753918_100000761012 [0,2,0,0,0,0|1,0,1]=4 2255 B11R0.104 CC(=CCOC(C)(C)CCBr)C 7a_100000702414_100000761012 [0,2,0,0,0,0|2,0,0]=4 2256 B11R0.104 CCCC(C)(C)OCC=C(C)C 7a_100000748436_100000761012 [0,2,0,0,0,0|2,0,0]=4 2257 B11R0.104 COCC(C)(C)NCC=C(C)C 2230a_100000752728_100000761012 [0,2,0,0,0,0|2,0,0]=4 2258 B11R0.104 CSCC(C)(C)NCC=C(C)C 2230a_100000759623_100000761012 [0,2,0,0,0,0|2,0,0]=4 2259 B11R0.104 CSCC(C)(C)NCC=C(C)C 7a_100000759623_100000761012 [0,2,0,0,0,0|2,0,0]=4 2260 B11R0.147 C#CCNC(C)CCCC(C)C 2230a_100000210607_100000038162 [0,2,0,0,0,0|0,0,2]=4 2261 B11R0.147 C#CCOC(C)CCC=C(C)C 34a_100102619829_100000184674 [0,2,0,0,0,0|1,0,0]=3 2262 B11R0.147 C#CCOC(C)CCC=C(C)C 7a_100102619829_100000038162 [0,2,0,0,0,0|1,0,0]=3 2263 B11R0.147 C=CCCC(C)NCC=C(C)C 270004a_100000718196_100000762624 [0,2,0,0,0,0|2,0,0]=4 2264 B11R0.147 C=CCCC(C)OCC=C(C)C 34a_100000765329_100000761012 [0,2,0,0,0,0|2,0,0]=4 2265 B11R0.147 C=CCCC(C)OCC=C(C)C 7a_100000765329_100000761012 [0,2,0,0,0,0|2,0,0]=4 2266 B11R0.147 C=CCCN(C)CCC=C(C)C 2230a_100020639649_100011217483 [0,2,0,0,0,0|2,0,0]=4 2267 B11R0.147 C=CCCN(C)CCC=C(C)C 269982a_100020639649_100011217483 [0,2,0,0,0,0|2,0,0]=4 2268 B11R0.147 C=CCNC(C)CCC=C(C)C 270004a_100020586998_100000765506 [0,2,0,0,0,0|0,0,0]=2 2269 B11R0.147 C=CCNC(C)CCCC(C)C 2230a_100000210607_100000210623 [0,2,0,0,0,0|0,0,2]=4 2270 B11R0.147 C=CCNC(C)CCCC(C)C 270004a_100020586998_100000753411 [0,2,0,0,0,0|0,0,2]=4 2271 B11R0.147 C=CCNC(C)CCOC(C)C 270004a_100020586998_200011219172 [0,2,0,0,0,0|1,0,1]=4 2272 B11R0.147 C=CCOC(C)CCC=C(C)C 34a_100102619829_100015514636 [0,2,0,0,0,0|1,0,0]=3 2273 B11R0.147 C=CCOC(C)CCC=C(C)C 7a_100102619829_100015514636 [0,2,0,0,0,0|1,0,0]=3 2274 B11R0.147 CC(=CCC/C(=C/CN[13CH3])/C)C 2230a_200020676162_200025704644 [0,2,0,0,0,0|0,0,1]=3 2275 B11R0.147 CC(=CCC/C(=C/CN[13CH3])/C)C 34a_200020676162_200025704644 [0,2,0,0,0,0|0,0,1]=3 2276 B11R0.147 CC(=CCC/C(=C/CS[13CH3])/C)C 62a_100016991246_200025704644 [0,2,0,0,0,0|1,0,1]=4 2277 B11R0.147 CC(=CCC/C(=C/CS[13CH3])/C)C 62a_200025704644_100016991246 [0,2,0,0,0,0|1,0,1]=4 2278 B11R0.147 CC(=CCC/C(=C\CO[13CH3])/C)C 34a_100016990311_200025704644 [0,2,0,0,0,0|1,0,1]=4 2279 B11R0.147 CC(=CCC/C(=C\CO[13CH3])/C)C 7a_100016990311_200025704644 [0,2,0,0,0,0|1,0,1]=4 2280 B11R0.147 CC(=CCCC(C)CCO[13CH3])C 34a_100000017536_200025704644 [0,2,0,0,0,0|1,0,0]=3 2281 B11R0.147 CC(=CCCC(C)CCO[13CH3])C 7a_100000017536_200025704644 [0,2,0,0,0,0|1,0,0]=3 2282 B11R0.147 CC(=CCCC(C)CCS[13CH3])C 62a_100009814015_200025704644 [0,2,0,0,0,0|1,0,0]=3 2283 B11R0.147 CC(=CCCC(C)CCS[13CH3])C 62a_200025704644_100009814015 [0,2,0,0,0,0|1,0,0]=3 2284 B11R0.147 CC(=CCCC(C)NCCO)C 270004a_100000210304_100000765506 [0,2,0,0,0,0|0,0,0]=2 2285 B11R0.147 CC(=CCCC(C)OCC#N)C 7a_100102619829_100011215382 [0,2,0,0,0,0|1,0,0]=3 2286 B11R0.147 CC(=CCCC(C)OCC=O)C 34a_100102619829_200009817547 [0,2,0,0,0,0|1,0,0]=3 2287 B11R0.147 CC(=CCCC(C)OCC=O)C 7a_100102619829_200015260668 [0,2,0,0,0,0|1,0,0]=3 2288 B11R0.147 CC(=CCCC(C)OCCF)C 34a_100102619829_100011217306 [0,2,0,0,0,0|1,0,0]=3 2289 B11R0.147 CC(=CCCC(C)OCCF)C 7a_100102619829_100011217306 [0,2,0,0,0,0|1,0,0]=3 2290 B11R0.147 CC(=CCCC(C)OCCO)C 34a_100102619829_100000211926 [0,2,0,0,0,0|1,0,0]=3 2291 B11R0.147 CC(=CCCC(C)OCCO)C 7a_100102619829_100000211926 [0,2,0,0,0,0|1,0,0]=3 2292 B11R0.147 CC(=CCCN(C)CCC#N)C 2230a_100000184479_100011217483 [0,2,0,0,0,0|2,0,0]=4 2293 B11R0.147 CC(=CCCN(C)CCCO)C 2230a_100000213112_100011217483 [0,2,0,0,0,0|2,0,0]=4 2294 B11R0.147 CC(=CCCN(C)CCCO)C 269982a_100000213112_100011217483 [0,2,0,0,0,0|2,0,0]=4 2295 B11R0.147 CC(=CCOC(C)CCCCl)C 34a_200000718107_100000761012 [0,2,0,0,0,0|2,0,0]=4 2296 B11R0.147 CC(=CCOC(C)CCCCl)C 7a_200000718107_100000761012 [0,2,0,0,0,0|2,0,0]=4 2297 B11R0.147 CC(C)CCCC(C)CCN[13CH3] 2230a_102516457229_200025704644 [0,2,0,0,0,0|0,0,2]=4 2298 B11R0.147 CC(C)CCCC(C)NCC#N 2230a_100000210607_100011215382 [0,2,0,0,0,0|0,0,2]=4 2299 B11R0.147 CC(C)CCCC(C)NCC=O 2230a_100000210607_200015260668 [0,2,0,0,0,0|0,0,2]=4 2300 B11R0.147 CC(C)CCCC(C)NCCF 2230a_100000210607_100011217306 [0,2,0,0,0,0|0,0,2]=4 2301 B11R0.147 CC(C)CCCC(C)NCCO 2230a_100000210607_100000211926 [0,2,0,0,0,0|0,0,2]=4 2302 B11R0.147 CC(C)CCCC(C)NCCO 270004a_100000210304_100000753411 [0,2,0,0,0,0|0,0,2]=4 2303 B11R0.147 CC(CCOC(C)C)NCCO 270004a_100000210304_200011219172 [0,2,0,0,0,0|1,0,1]=4 2304 B11R0.147 CCC#CC(C)OCC=C(C)C 34a_100000033903_100000761012 [0,2,0,0,0,0|2,0,0]=4 2305 B11R0.147 CCC#CC(C)OCC=C(C)C 7a_100000033903_100000761012 [0,2,0,0,0,0|2,0,0]=4 2306 B11R0.147 CCCCC(C)NCC=C(C)C 2230a_100000126638_100000761012 [0,2,0,0,0,0|2,0,0]=4 2307 B11R0.147 CCCCC(C)NCC=C(C)C 270004a_100000718196_100000210087 [0,2,0,0,0,0|2,0,0]=4 2308 B11R0.147 CCCCC(C)NCC=C(C)C 34a_100000718196_200011215066 [0,2,0,0,0,0|2,0,0]=4 2309 B11R0.147 CCCCC(C)OCC=C(C)C 34a_100000687866_100000761012 [0,2,0,0,0,0|2,0,0]=4 2310 B11R0.147 CCCCC(C)OCC=C(C)C 34a_100000753907_200011215066 [0,2,0,0,0,0|2,0,0]=4 2311 B11R0.147 CCCCC(C)OCC=C(C)C 7a_100000687866_100000761012 [0,2,0,0,0,0|2,0,0]=4 2312 B11R0.147 CCCCC(C)SCC=C(C)C 62a_100000761012_200011215066 [0,2,0,0,0,0|2,0,0]=4 2313 B11R0.147 CCCCC(C)SCC=C(C)C 62a_200011215066_100000761012 [0,2,0,0,0,0|2,0,0]=4 2314 B11R0.147 CCCCN(C)CCC=C(C)C 2230a_100000207549_100011217483 [0,2,0,0,0,0|2,0,0]=4 2315 B11R0.147 CCCCN(C)CCC=C(C)C 269982a_100000207549_100011217483 [0,2,0,0,0,0|2,0,0]=4 2316 B11R0.147 CCCNC(C)CCC=C(C)C 270004a_100020643023_100000765506 [0,2,0,0,0,0|0,0,0]=2 2317 B11R0.147 CCCNC(C)CCCC(C)C 2230a_100000210607_100000210303 [0,2,0,0,0,0|0,0,2]=4 2318 B11R0.147 CCCNC(C)CCCC(C)C 270004a_100020643023_100000753411 [0,2,0,0,0,0|0,0,2]=4 2319 B11R0.147 CCCNC(C)CCOC(C)C 270004a_100020643023_200011219172 [0,2,0,0,0,0|1,0,1]=4 2320 B11R0.147 CCCOC(C)CCC=C(C)C 34a_100102619829_100000210303 [0,2,0,0,0,0|1,0,0]=3 2321 B11R0.147 CCCOC(C)CCC=C(C)C 7a_100102619829_100000210303 [0,2,0,0,0,0|1,0,0]=3 2322 B11R0.147 CCNCC(C)CCC=C(C)C 270004a_100015525214_100000033009 [0,2,0,0,0,0|0,0,0]=2 2323 B11R0.147 CCNN=C(C)CCC=C(C)C 4a_100000756455_100000765506 [0,2,0,0,0,0|0,0,1]=3 2324 B11R0.147 CCOCC(C)OCC=C(C)C 34a_100000718985_100000761012 [0,2,0,0,0,0|2,0,0]=4 2325 B11R0.147 CCOCC(C)OCC=C(C)C 7a_100000718985_100000761012 [0,2,0,0,0,0|2,0,0]=4 2326 B11R0.147 CCSCC(C)NCC=C(C)C 270004a_100000718196_200011216171 [0,2,0,0,0,0|2,0,0]=4 2327 B11R0.147 CNC/C=C(\C)/CCC=C(C)C 2230a_106832991635_100016991246 [0,2,0,0,0,0|0,0,1]=3 2328 B11R0.147 CNC/C=C(\C)/CCC=C(C)C 2230a_200020676162_200000210301 [0,2,0,0,0,0|0,0,1]=3 2329 B11R0.147 CNC/C=C(\C)/CCC=C(C)C 34a_100102657272_100016991246 [0,2,0,0,0,0|0,0,1]=3 2330 B11R0.147 CNC/C=C(\C)/CCC=C(C)C 34a_200020676162_200000210301 [0,2,0,0,0,0|0,0,1]=3 2331 B11R0.147 CNC/C=C(\C)/CCC=C(C)C 7a_106832991635_100016991246 [0,2,0,0,0,0|0,0,1]=3 2332 B11R0.147 CNCCC(C)CCC=C(C)C 2230a_106832991635_100009814015 [0,2,0,0,0,0|0,0,0]=2 2333 B11R0.147 CNCCC(C)CCC=C(C)C 269862a_106832991636_100000212096 [0,2,0,0,0,0|0,0,0]=2 2334 B11R0.147 CNCCC(C)CCC=C(C)C 270004a_106832991635_100000212096 [0,2,0,0,0,0|0,0,0]=2 2335 B11R0.147 CNCCC(C)CCC=C(C)C 34a_100102657272_100009814015 [0,2,0,0,0,0|0,0,0]=2 2336 B11R0.147 CNCCC(C)CCC=C(C)C 7a_106832991635_100009814015 [0,2,0,0,0,0|0,0,0]=2 2337 B11R0.147 CNCCC(C)CCCC(C)C 2230a_102516457229_200000210301 [0,2,0,0,0,0|0,0,2]=4 2338 B11R0.147 CNCCC(C)CCCC(C)C 2230a_106832991635_100009816328 [0,2,0,0,0,0|0,0,2]=4 2339 B11R0.147 CNCCC(C)CCCC(C)C 34a_100102657272_100009816328 [0,2,0,0,0,0|0,0,2]=4 2340 B11R0.147 CNCCC(C)CCCC(C)C 7a_106832991635_100009816328 [0,2,0,0,0,0|0,0,2]=4 2341 B11R0.147 COC/C=C(/C)\CCC=C(C)C 34a_100016990311_200000210301 [0,2,0,0,0,0|1,0,1]=4 2342 B11R0.147 COC/C=C(/C)\CCC=C(C)C 7a_100016990311_200000210301 [0,2,0,0,0,0|1,0,1]=4 2343 B11R0.147 COC/C=C(\C)/CCC=C(C)C 34a_100138415774_100016991246 [0,2,0,0,0,0|1,0,1]=4 2344 B11R0.147 COCCC(C)CCC=C(C)C 34a_100000017536_200000210301 [0,2,0,0,0,0|1,0,0]=3 2345 B11R0.147 COCCC(C)CCC=C(C)C 34a_100138415774_100009814015 [0,2,0,0,0,0|1,0,0]=3 2346 B11R0.147 COCCC(C)CCC=C(C)C 7a_100000017536_200000210301 [0,2,0,0,0,0|1,0,0]=3 2347 B11R0.147 COCCC(C)NCC=C(C)C 270004a_100000718196_100000742357 [0,2,0,0,0,0|2,0,0]=4 2348 B11R0.147 COCCN(C)CCC=C(C)C 2230a_100000743101_100011217483 [0,2,0,0,0,0|2,0,0]=4 2349 B11R0.147 COCCN(C)CCC=C(C)C 269982a_100000743101_100011217483 [0,2,0,0,0,0|2,0,0]=4 2350 B11R0.147 COCNC(C)CCCC(C)C 2230a_100000210607_100000766300 [0,2,0,0,0,0|0,0,2]=4 2351 B11R0.147 CSC/C=C(\C)/CCC=C(C)C 62a_100016991246_200000210301 [0,2,0,0,0,0|1,0,1]=4 2352 B11R0.147 CSC/C=C(\C)/CCC=C(C)C 62a_200000210301_100016991246 [0,2,0,0,0,0|1,0,1]=4 2353 B11R0.147 CSCCC(C)CCC=C(C)C 62a_100009814015_200000210301 [0,2,0,0,0,0|1,0,0]=3 2354 B11R0.147 CSCCC(C)CCC=C(C)C 62a_200000210301_100009814015 [0,2,0,0,0,0|1,0,0]=3 2355 B11R0.147 CSCCC(C)NCC=C(C)C 270004a_100000718196_100011217047 [0,2,0,0,0,0|2,0,0]=4 2356 B11R0.147 CSCCN(C)CCC=C(C)C 2230a_100000686725_100011217483 [0,2,0,0,0,0|2,0,0]=4 2357 B11R0.147 CSCCN(C)CCC=C(C)C 269982a_100000686725_100011217483 [0,2,0,0,0,0|2,0,0]=4 2358 B11R0.147 CSCNC(C)CCCC(C)C 2230a_100000210607_100011218213 [0,2,0,0,0,0|0,0,2]=4 2359 B11R0.147 CSCOC(C)CCC=C(C)C 34a_100102619829_100011218213 [0,2,0,0,0,0|1,0,0]=3 2360 B11R0.19 CCC(CC)CC(=O)C=C(C)C 1458a_100000211388_100011215472 [0,2,0,0,0,0|1,0,1]=4 2361 B11R0.19 COC(CC(=O)C=C(C)C)OC 1458a_100000211388_100000751394 [0,2,0,0,0,0|1,0,1]=4 2362 B11R0.110 CCC(=CC(=O)CC(C)CC)C 1458a_100020758463_100000748023 [0,2,0,0,0,0|1,0,1]=4 2363 B11R0.110 CCC(=CC(=O)C[C@@H](C)CC)C 1458a_100020758463_100009816398 [0,2,0,0,0,0|1,0,1]=4 2364 B11R0.118 CCC(C)N(CC)CC=C(C)C 2230a_100000732650_100000761012 [0,2,0,0,0,0|2,0,0]=4 2365 B11R0.118 CCC(C)N(CC)CC=C(C)C 269982a_100000732650_100000761012 [0,2,0,0,0,0|2,0,0]=4 2366 B11R0.120 C/C=C(\C)/C(=O)NCC(C)CC 11a_100020588543_100020587367 [0,2,0,0,0,0|2,0,0]=4 2367 B11R0.120 C/C=C(\C)/C(=O)NCC(C)CC 1626a_100020588543_100020587367 [0,2,0,0,0,0|2,0,0]=4 2368 B11R0.120 C/C=C(\C)/C(=O)NC[C@@H](C)OC 11a_100020591295_100020587367 [0,2,0,0,0,0|2,0,0]=4 2369 B11R0.120 C/C=C(\C)/C(=O)NC[C@@H](C)OC 1626a_100020591295_100020587367 [0,2,0,0,0,0|2,0,0]=4 2370 B11R0.120 CCC(C)CCC(=O)C(C)CC 1458a_100000701222_100000758301 [0,2,0,0,0,0|1,0,1]=4 2371 B11R0.120 CCC(C)CCC(=O)N(C)CC 11a_100000225621_100000701222 [0,2,0,0,0,0|2,0,0]=4 2372 B11R0.120 CCC(C)CCC(=O)N(C)CC 1626a_100000225621_100000701222 [0,2,0,0,0,0|2,0,0]=4 2373 B11R0.120 CCC(C)CCC(=O)N(C)CC 240690a_100000225621_100000701222 [0,2,0,0,0,0|2,0,0]=4 2374 B11R0.120 CCC(C)CCC(=O)N(C)CC 527a_100000225621_100000701222 [0,2,0,0,0,0|2,0,0]=4 2375 B11R0.129 CCC(C)(C)C(=O)CC=C(C)C 1458a_100000749717_100000761012 [0,2,0,0,0,0|1,0,1]=4 2376 B11R0.129 CCC(C)(C)N(C)CC=C(C)C 2230a_200000755171_100000761012 [0,2,0,0,0,0|2,0,0]=4 2377 B11R0.129 CCC(C)(C)N(C)CC=C(C)C 269982a_200000755171_100000761012 [0,2,0,0,0,0|2,0,0]=4 2378 B11R0.129 CCC(C)(O)C(=O)CC=C(C)C 1458a_100011219770_100000761012 [0,2,0,0,0,0|1,0,1]=4 2379 B11R0.129 COC(C)(C)C(=O)CC=C(C)C 1458a_100000753492_100000761012 [0,2,0,0,0,0|1,0,1]=4 2380 B11R0.171 CCC(CC)C(=O)CC=C(C)C 1458a_100000211163_100000761012 [0,2,0,0,0,0|1,0,1]=4 2381 B11R0.171 CCC(CC)C(=O)CC=C(C)C 1458a_100011220947_100000210505 [0,2,0,0,0,0|1,0,1]=4 2382 B11R0.171 CCC(CC)N(C)CC=C(C)C 2230a_100000737045_100000761012 [0,2,0,0,0,0|2,0,0]=4 2383 B11R0.171 CCC(CC)N(C)CC=C(C)C 269982a_100000737045_100000761012 [0,2,0,0,0,0|2,0,0]=4 2384 B11R0.171 CCC(OC)C(=O)CC=C(C)C 1458a_100000747056_100000761012 [0,2,0,0,0,0|1,0,1]=4 2385 B11R0.171 COC(OC)C(=O)CC=C(C)C 1458a_100000046285_100000761012 [0,2,0,0,0,0|1,0,1]=4 2386 B11R0.173 CC(=CCC(=O)C(C)C(C)C)C 1458a_100000755409_100000761012 [0,2,0,0,0,0|1,0,1]=4 2387 B11R0.173 CC(=CCC(=O)[C@H](C)N(C)C)C 1458a_100009822176_100000761012 [0,2,0,0,0,0|0,0,1]=3 2388 B11R0.173 CC(=CCN(C)C(C)C(C)C)C 2230a_100000228512_100000761012 [0,2,0,0,0,0|2,0,0]=4 2389 B11R0.173 CC(=CCN(C)C(C)C(C)C)C 269982a_100000228512_100000761012 [0,2,0,0,0,0|2,0,0]=4 2390 B11R0.173 CC(=O)C(C)C(=O)CC=C(C)C 1458a_100011220947_100000179758 [0,2,0,0,0,0|1,0,1]=4 2391 B11R0.200 CCN(CC)CCCC(C)NC 2230a_100000210996_200000210301 [0,2,0,0,0,0|1,0,1]=4 2392 B11R0.200 CCN(CC)CCCC(C)NC 270004a_106832991635_100011217184 [0,2,0,0,0,0|1,0,1]=4 2393 B11R0.200 CCN(CC)CCCC(C)N[13CH3] 2230a_100000210996_200025704644 [0,2,0,0,0,0|1,0,1]=4 2394 B11R0.202 CC(=CCNC(C)(C)C(C)C)C 2230a_200160471154_100000761012 [0,2,0,0,0,0|2,0,0]=4 2395 B11R0.202 CC(=CCOC(C)(C)C(C)C)C 7a_100011215261_100000761012 [0,2,0,0,0,0|2,0,0]=4 2396 B11R0.202 CC(=CCSC(C)(C)N(C)C)C 62a_100000761012_217856628674 [0,2,0,0,0,0|1,0,0]=3 2397 B11R0.202 CC(=CCSC(C)(C)N(C)C)C 62a_217856628674_100000761012 [0,2,0,0,0,0|1,0,0]=3 2398 B11R0.202 CC(=O)C(C)(C)OCC=C(C)C 34a_100000747739_100000761012 [0,2,0,0,0,0|2,0,0]=4 2399 B11R0.202 CC(=O)C(C)(C)OCC=C(C)C 7a_100000747739_100000761012 [0,2,0,0,0,0|2,0,0]=4 2400 B11R0.202 CC(=O)C(C)(C)SCC=C(C)C 62a_100000075568_100000761012 [0,2,0,0,0,0|2,0,0]=4 2401 B11R0.202 CC(=O)C(C)(C)SCC=C(C)C 62a_100000761012_100000075568 [0,2,0,0,0,0|2,0,0]=4 2402 B11R0.213 C#CC(C)(CC)NCC=C(C)C 2230a_100000054623_100000761012 [0,2,0,0,0,0|2,0,0]=4 2403 B11R0.213 C#CC(C)(CC)OCC=C(C)C 34a_100000686493_100000761012 [0,2,0,0,0,0|2,0,0]=4 2404 B11R0.213 C#CC(C)(CC)OCC=C(C)C 7a_100000686493_100000761012 [0,2,0,0,0,0|2,0,0]=4 2405 B11R0.213 C#CC(C)(CCC=C(C)C)OC 34a_100102524899_200000210301 [0,2,0,0,0,0|1,0,0]=3 2406 B11R0.213 C#CC(C)(CCC=C(C)C)OC 7a_100102524899_200000210301 [0,2,0,0,0,0|1,0,0]=3 2407 B11R0.213 C#CC(C)(CCC=C(C)C)O[13CH3] 34a_100102524899_200025704644 [0,2,0,0,0,0|1,0,0]=3 2408 B11R0.213 C#CC(C)(CCC=C(C)C)O[13CH3] 7a_100102524899_200025704644 [0,2,0,0,0,0|1,0,0]=3 2409 B11R0.213 C=CC(C)(CCC=C(C)C)OC 34a_100000033386_200000210301 [0,2,0,0,0,0|1,0,0]=3 2410 B11R0.213 C=CC(C)(CCC=C(C)C)OC 7a_100000033386_200000210301 [0,2,0,0,0,0|1,0,0]=3 2411 B11R0.213 C=CC(C)(CCC=C(C)C)O[13CH3] 34a_100000033386_200025704644 [0,2,0,0,0,0|1,0,0]=3 2412 B11R0.213 C=CC(C)(CCC=C(C)C)O[13CH3] 7a_100000033386_200025704644 [0,2,0,0,0,0|1,0,0]=3 2413 B11R0.213 CCC(C)(C#N)OCC=C(C)C 7a_100000760259_100000761012 [0,2,0,0,0,0|2,0,0]=4 2414 B11R0.213 CCC(C)(CC)OCC=C(C)C 7a_100000755174_100000761012 [0,2,0,0,0,0|2,0,0]=4 2415 B11R0.213 CCC(C)(CC)SCC=C(C)C 62a_100000761012_100009817345 [0,2,0,0,0,0|2,0,0]=4 2416 B11R0.213 CCC(C)(CC)SCC=C(C)C 62a_100009817345_100000761012 [0,2,0,0,0,0|2,0,0]=4 2417 B11R0.213 CCC(C)(CCC=C(C)C)OC 7a_100000035081_200000210301 [0,2,0,0,0,0|1,0,0]=3 2418 B11R0.213 CCC(C)(CCC=C(C)C)O[13CH3] 7a_100000035081_200025704644 [0,2,0,0,0,0|1,0,0]=3 2419 B11R0.21 C=C(C)C(=O)CCC(OC)OC 1458a_100000185857_100000139399 [0,2,0,0,0,0|1,0,1]=4 2420 B11R0.21 COC(CCC(=O)C(C)C)OC 1458a_100000210198_100000139399 [0,2,0,0,0,0|1,0,1]=4 2421 B11R0.21 COC(CCC(=O)C(C)C)OC 1458a_200000082759_100000210206 [0,2,0,0,0,0|1,0,1]=4 2422 B11R0.21 COC(CCC(=O)N(C)C)OC 11a_100102631434_200000082759 [0,2,0,0,0,0|2,0,0]=4 2423 B11R0.21 COC(CCC(=O)N(C)C)OC 1626a_100102631434_200000082759 [0,2,0,0,0,0|2,0,0]=4 2424 B11R0.21 COC(CCC(=O)N(C)C)OC 240690a_100102631434_200000082759 [0,2,0,0,0,0|2,0,0]=4 2425 B11R0.21 COC(CCC(=O)N(C)C)OC 527a_100102631434_200000082759 [0,2,0,0,0,0|2,0,0]=4 2426 B11R0.273 CC(=CCN[C@@H](CO)C(C)C)C 2230a_100011830312_100000761012 [0,2,0,0,0,0|2,0,0]=4 2427 B11R0.273 CC(=CCN[C@@H](CO)C(C)C)C 34a_100011830312_100000761012 [0,2,0,0,0,0|2,0,0]=4 2428 B11R0.273 CC(=CCN[C@H](CO)[C@@H](C)O)C 2230a_100015196842_100000761012 [0,2,0,0,0,0|2,0,0]=4 2429 B11R0.273 CC(=CCN[C@H](CO)[C@@H](C)O)C 34a_100015196842_100000761012 [0,2,0,0,0,0|2,0,0]=4 2430 B11R0.273 CC(=CCOC(CN)C(C)C)C 34a_100000759067_100000761012 [0,2,0,0,0,0|2,0,0]=4 2431 B11R0.273 CCC(NCC=C(C)C)C(C)C 270004a_100000718196_100000210600 [0,2,0,0,0,0|2,0,0]=4 2432 B11R0.273 CCC(OCC=C(C)C)C(C)C 34a_100011218073_100000761012 [0,2,0,0,0,0|2,0,0]=4 2433 B11R0.273 CCC(OCC=C(C)C)C(C)C 7a_100011218073_100000761012 [0,2,0,0,0,0|2,0,0]=4 2434 B11R0.273 CCN(CCC=C(C)C)C(C)C 2230a_100000223864_100011217483 [0,2,0,0,0,0|2,0,0]=4 2435 B11R0.273 CCN(CCC=C(C)C)C(C)C 269982a_100000223864_100011217483 [0,2,0,0,0,0|2,0,0]=4 2436 B11R0.273 CC[C@H](NCC=C(C)C)[C@@H](C)O 2230a_100161114882_100000761012 [0,2,0,0,0,0|2,0,0]=4 2437 B11R0.273 CC[C@H](NCC=C(C)C)[C@@H](C)O 34a_100161114882_100000761012 [0,2,0,0,0,0|2,0,0]=4 2438 B11R0.84 CC(=CCCN(C)C(C)(C)C)C 269982a_100011215553_100011217483 [0,2,0,0,0,0|2,0,0]=4 2439 B11R0.84 CC(=CCN[C@@H](C)C(C)(C)O)C 2230a_100025708725_100000761012 [0,2,0,0,0,0|2,0,0]=4 2440 B11R0.84 CC(=CCN[C@H](C)C(C)(C)C)C 2230a_100025703359_100000761012 [0,2,0,0,0,0|2,0,0]=4 2441 B9R1.2 CC1CCCC(C1)N[13CH3] 2230a_100011194320_200025704644 [1,0,0,1,0,0|0,0,2]=4 2442 B9R1.2 CC1CCCC(C1)N[13CH3] 34a_100011194320_200025704644 [1,0,0,1,0,0|0,0,2]=4 2443 B9R1.2 CCN1CCC=C(C1)C 2230a_100000725631_100000210202 [1,0,0,1,0,0|2,0,0]=4 2444 B9R1.2 CCN1CCC=C(C1)C 269982a_100000725631_100000204670 [1,0,0,1,0,0|2,0,0]=4 2445 B9R1.2 CCN1CCC=C(C1)C 34a_100000725631_100000210202 [1,0,0,1,0,0|2,0,0]=4 2446 B9R1.2 CNC1CCCC(C1)C 2230a_100011194320_200000210301 [1,0,0,1,0,0|0,0,2]=4 2447 B9R1.2 CNC1CCCC(C1)C 270004a_106832991635_100000183594 [1,0,0,1,0,0|0,0,2]=4 2448 B9R1.2 CNC1CCCC(C1)C 34a_100011194320_200000210301 [1,0,0,1,0,0|0,0,2]=4 2449 B9R1.2 CNC1CCNC(=O)C1 2230a_100016994916_200000210301 [1,0,0,1,0,0|2,0,0]=4 2450 B9R1.2 CNC1CCNC(=O)C1 34a_100016994916_200000210301 [1,0,0,1,0,0|2,0,0]=4 2451 B9R1.2 CNC1CCN[C@@H](C1)C 270004a_106832991635_100016994030 [1,0,0,1,0,0|1,0,1]=4 2452 B9R1.2 CNC1CCOC(C1)C 270004a_106832991635_100000755752 [1,0,0,1,0,0|1,0,1]=4 2453 B9R1.2 [13CH3]NC1CCNC(=O)C1 2230a_100016994916_200025704644 [1,0,0,1,0,0|2,0,0]=4 2454 B9R1.2 [13CH3]NC1CCNC(=O)C1 34a_100016994916_200025704644 [1,0,0,1,0,0|2,0,0]=4 2455 B9R1.3 CC1CCCC(N1C)C 2230a_100000210447_200000210301 [1,0,0,1,0,0|0,0,2]=4 2456 B9R1.3 CC1CCCC(N1C)C 269982a_100000210447_200000210301 [1,0,0,1,0,0|0,0,2]=4 2457 B9R1.3 CC1CCCC(N1C)C 34a_100000210447_200000210301 [1,0,0,1,0,0|0,0,2]=4 2458 B9R1.3 CC1CCCC(N1[13CH3])C 2230a_100000210447_200025704644 [1,0,0,1,0,0|0,0,2]=4 2459 B9R1.3 CC1CCCC(N1[13CH3])C 269982a_100000210447_200025704644 [1,0,0,1,0,0|0,0,2]=4 2460 B9R1.3 CC1CCCC(N1[13CH3])C 34a_100000210447_200025704644 [1,0,0,1,0,0|0,0,2]=4 2461 B9R1.11 CC(N[13CH3])C1CCCC1 2230a_100015185923_200025704644 [1,0,0,1,0,0|0,0,2]=4 2462 B9R1.11 CC(N[13CH3])C1CCCC1 34a_100015185923_200025704644 [1,0,0,1,0,0|0,0,2]=4 2463 B9R1.11 CCC(C)N1CC=CC1 269982a_100015195280_100000758301 [1,0,0,1,0,0|2,0,0]=4 2464 B9R1.11 CNC(=O)C1CC=CC1 11a_106832991635_100000759439 [1,0,0,1,0,0|1,0,1]=4 2465 B9R1.11 CNC(=O)C1CC=CC1 1626a_100102657272_100000759439 [1,0,0,1,0,0|1,0,1]=4 2466 B9R1.11 CNC(=O)C1CC=CC1 240690a_100102657272_100000759439 [1,0,0,1,0,0|1,0,1]=4 2467 B9R1.11 CNC(=O)C1CC=CC1 527a_100102657272_100000759439 [1,0,0,1,0,0|1,0,1]=4 2468 B9R1.11 CNC(C)C1CCCC1 2230a_100015185923_200000210301 [1,0,0,1,0,0|0,0,2]=4 2469 B9R1.11 CNC(C)C1CCCC1 269862a_106832991636_100000749594 [1,0,0,1,0,0|0,0,2]=4 2470 B9R1.11 CNC(C)C1CCCC1 270004a_106832991635_100000749594 [1,0,0,1,0,0|0,0,2]=4 2471 B9R1.11 CNC(C)C1CCCC1 34a_100015185923_200000210301 [1,0,0,1,0,0|0,0,2]=4 2472 B9R1.11 COC(C)N1CC=CC1 269982a_100015195280_100009879195 [1,0,0,1,0,0|2,0,0]=4 2473 B9R1.17 C/C=C/CNC1CCC1 34a_100000749019_100102629194 [1,0,0,1,0,0|2,0,0]=4 2474 B9R1.17 C/C=C/COC1CCC1 34a_100000748187_100102629194 [1,0,0,1,0,0|2,0,0]=4 2475 B9R1.17 C/C=C/COC1CCC1 34a_100016270725_100000749161 [1,0,0,1,0,0|2,0,0]=4 2476 B9R1.17 C/C=C/CSC1CCC1 62a_100102629194_100000749161 [1,0,0,1,0,0|2,0,0]=4 2477 B9R1.17 CC=CCNC1CCC1 2230a_100000749019_100000070051 [1,0,0,1,0,0|2,0,0]=4 2478 B9R1.17 CC=CCNC1CCC1 34a_100000749019_100000070051 [1,0,0,1,0,0|2,0,0]=4 2479 B9R1.17 CC=CCOC1CCC1 34a_100000748187_100000070051 [1,0,0,1,0,0|2,0,0]=4 2480 B9R1.17 CC=CCSC1CCC1 62a_100000070051_100000749161 [1,0,0,1,0,0|2,0,0]=4 2481 B9R1.21 CCC1CCC(C1)NC 270004a_106832991635_100011218773 [1,0,0,1,0,0|0,0,2]=4 2482 B9R1.21 CCN1CCC(C1)NC 2230a_100015188829_200000210301 [1,0,0,1,0,0|1,0,1]=4 2483 B9R1.21 CCN1CCC(C1)NC 7a_106832991635_200011861547 [1,0,0,1,0,0|1,0,1]=4 2484 B9R1.21 CCN1CCC(C1)N[13CH3] 2230a_100015188829_200025704644 [1,0,0,1,0,0|1,0,1]=4 2485 B9R1.39 C/C=C/CN1CCC1C 269982a_100000755817_100102629194 [1,0,0,1,0,0|2,0,0]=4 2486 B9R1.39 C/C=C/CN1CCC1C 34a_100000755817_100102629194 [1,0,0,1,0,0|2,0,0]=4 2487 B9R1.39 CC=CCN1CCC1C 34a_100000755817_100000070051 [1,0,0,1,0,0|2,0,0]=4 2488 B9R1.58 CNC1CC(C1)COC 2230a_100012180050_200000210301 [1,0,0,1,0,0|1,0,1]=4 2489 B9R1.58 CNC1CC(C1)COC 270004a_106832991635_100010371266 [1,0,0,1,0,0|1,0,1]=4 2490 B9R1.58 COCC1CC(C1)N[13CH3] 2230a_100012180050_200025704644 [1,0,0,1,0,0|1,0,1]=4 2491 B9R1.89 CNC1CCCCCC1 2230a_100000210984_200000210301 [1,0,0,1,0,0|0,0,2]=4 2492 B9R1.89 CNC1CCCCCC1 270004a_106832991635_100000210131 [1,0,0,1,0,0|0,0,2]=4 2493 B9R1.89 CNC1CCCCCC1 34a_100000210984_200000210301 [1,0,0,1,0,0|0,0,2]=4 2494 B9R1.89 CNC1CCCCCC1 34a_100102657272_100011217769 [1,0,0,1,0,0|0,0,2]=4 2495 B9R1.89 CNC1CCCNCC1 270004a_106832991635_100015187895 [1,0,0,1,0,0|1,0,1]=4 2496 B9R1.89 [13CH3]NC1CCCCCC1 2230a_100000210984_200025704644 [1,0,0,1,0,0|0,0,2]=4 2497 B9R1.89 [13CH3]NC1CCCCCC1 34a_100000210984_200025704644 [1,0,0,1,0,0|0,0,2]=4 2498 B9R1.99 C/C=C/COC1(CC1)C 7a_100011725673_100102629194 [1,0,0,1,0,0|2,0,0]=4 2499 B9R1.99 CC=CCNC1(CC1)C 2230a_100000757604_100000070051 [1,0,0,1,0,0|2,0,0]=4 2500 B9R1.99 CC=CCOC1(CC1)C 7a_100011725673_100000070051 [1,0,0,1,0,0|2,0,0]=4 2501 B9R1.118 CC1(CCCCC1)N[13CH3] 2230a_100000741114_200025704644 [1,0,0,1,0,0|0,0,2]=4 2502 B9R1.118 CC1(CCCCC1)N[13CH3] 34a_100000741114_200025704644 [1,0,0,1,0,0|0,0,2]=4 2503 B9R1.118 CC1(CCOCC1)N[13CH3] 2230a_100000692449_200025704644 [1,0,0,1,0,0|1,0,1]=4 2504 B9R1.118 CC1(CCOCC1)N[13CH3] 34a_100000692449_200025704644 [1,0,0,1,0,0|1,0,1]=4 2505 B9R1.118 CNC1(CCCCC1)C 2230a_100000741114_200000210301 [1,0,0,1,0,0|0,0,2]=4 2506 B9R1.118 CNC1(CCCCC1)C 34a_100000741114_200000210301 [1,0,0,1,0,0|0,0,2]=4 2507 B9R1.118 CNC1(CCOCC1)C 2230a_100000692449_200000210301 [1,0,0,1,0,0|1,0,1]=4 2508 B9R1.118 CNC1(CCOCC1)C 34a_100000692449_200000210301 [1,0,0,1,0,0|1,0,1]=4 2509 B9R1.24 CNC1CCCC1(C)C 269862a_106832991636_100000065263 [1,0,0,1,0,0|0,0,2]=4 2510 B9R1.41 CC(=O)[C@@H]1CCCN1C 1458a_100009816429_200000210301 [1,0,0,1,0,0|1,0,1]=4 2511 B9R1.41 CC(C)C1CCCN1C 2230a_100000762757_200000210301 [1,0,0,1,0,0|0,0,2]=4 2512 B9R1.41 CC(C)C1CCCN1C 269982a_100000762757_200000210301 [1,0,0,1,0,0|0,0,2]=4 2513 B9R1.41 CC(C)C1CCCN1C 34a_100000762757_200000210301 [1,0,0,1,0,0|0,0,2]=4 2514 B9R1.41 CC(C)C1CCCN1[13CH3] 2230a_100000762757_200025704644 [1,0,0,1,0,0|0,0,2]=4 2515 B9R1.41 CC(C)C1CCCN1[13CH3] 269982a_100000762757_200025704644 [1,0,0,1,0,0|0,0,2]=4 2516 B9R1.41 CC(C)C1CCCN1[13CH3] 34a_100000762757_200025704644 [1,0,0,1,0,0|0,0,2]=4 2517 B9R1.41 CN1CCC[C@H]1C(=O)[13CH3] 1458a_100009816429_200025704644 [1,0,0,1,0,0|1,0,1]=4 2518 B9R1.48 CN1CCCNC(=O)C1 2230a_100015190381_200000210301 [1,0,0,1,0,0|2,0,0]=4 2519 B9R1.48 [13CH3]N1CCCNC(=O)C1 2230a_100015190381_200025704644 [1,0,0,1,0,0|2,0,0]=4 2520 B9R1.83 CNCCCOC1CC1 34a_100000213112_100000211595 [1,0,0,1,0,0|1,0,1]=4 2521 B9R1.84 CC(=CCN1CCC1)C 269982a_100000754969_100000761012 [1,0,0,1,0,0|2,0,0]=4 2522 B9R1.84 CC(C)OCC1CNC1 34a_100016987283_100000210206 [1,0,0,1,0,0|1,0,1]=4 2523 B9R1.85 CC(=CCNC1CC1)C 34a_100000212008_100000761012 [1,0,0,1,0,0|2,0,0]=4 2524 B9R1.85 CC(=CCNC1CC1)C 34a_100000718196_100000211595 [1,0,0,1,0,0|2,0,0]=4 2525 B9R1.85 CC(=CCOC1CC1)C 34a_100000753907_100000211595 [1,0,0,1,0,0|2,0,0]=4 2526 B9R1.85 CC(=CCSC1CC1)C 62a_100000761012_100000211595 [1,0,0,1,0,0|2,0,0]=4 2527 B9R1.35 CC(=O)N1CC[C@H](C1)C 11a_100016987628_100015343762 [1,0,0,1,0,0|2,0,0]=4 2528 B9R1.35 CC(=O)N1CC[C@H](C1)C 240690a_100016987628_100015343762 [1,0,0,1,0,0|2,0,0]=4 2529 B9R1.35 CC(=O)N1CC[C@H](C1)C 527a_100016987628_100103153847 [1,0,0,1,0,0|2,0,0]=4 2530 B9R1.35 CC(C)N1CC[C@H](C1)C 2230a_100016987628_100000210206 [1,0,0,1,0,0|1,0,1]=4 2531 B9R1.35 CC(C)N1CC[C@H](C1)C 269982a_100016987628_100000210206 [1,0,0,1,0,0|1,0,1]=4 2532 B9R1.35 CC(C)N1CC[C@H](C1)C 34a_100016987628_100000210206 [1,0,0,1,0,0|1,0,1]=4 2533 B9R1.35 CC1CCC(C1)N(C)C 270004a_100102631434_100011215218 [1,0,0,1,0,0|1,0,1]=4 2534 B9R1.53 CC(C)CC1CN(C1)C 2230a_214813039686_200000210301 [1,0,0,1,0,0|1,0,1]=4 2535 B9R1.53 CC(C)CC1CN(C1)C 269982a_214813039686_200000210301 [1,0,0,1,0,0|1,0,1]=4 2536 B9R1.53 CC(C)CC1CN(C1)C 34a_214813039686_200000210301 [1,0,0,1,0,0|1,0,1]=4 2537 B9R1.53 CC(C)CC1CN(C1)[13CH3] 2230a_214813039686_200025704644 [1,0,0,1,0,0|1,0,1]=4 2538 B9R1.53 CC(C)CC1CN(C1)[13CH3] 269982a_214813039686_200025704644 [1,0,0,1,0,0|1,0,1]=4 2539 B9R1.53 CC(C)CC1CN(C1)[13CH3] 34a_214813039686_200025704644 [1,0,0,1,0,0|1,0,1]=4 2540 B9R1.66 CC1(CCCN(C1)[13CH3])C 2230a_100000716857_200025704644 [1,0,0,1,0,0|1,0,1]=4 2541 B9R1.66 CC1(CCCN(C1)[13CH3])C 269982a_100000716857_200025704644 [1,0,0,1,0,0|1,0,1]=4 2542 B9R1.66 CC1(CCCN(C1)[13CH3])C 34a_100000716857_200025704644 [1,0,0,1,0,0|1,0,1]=4 2543 B9R1.66 CN1CCCC(C1)(C)C 2230a_100000716857_200000210301 [1,0,0,1,0,0|1,0,1]=4 2544 B9R1.66 CN1CCCC(C1)(C)C 269982a_100000716857_200000210301 [1,0,0,1,0,0|1,0,1]=4 2545 B9R1.66 CN1CCCC(C1)(C)C 34a_100000716857_200000210301 [1,0,0,1,0,0|1,0,1]=4 2546 B9R1.69 C[C@@H]1CN([C@@H](CO1)C)C 2230a_100016991869_200000210301 [0,0,0,1,1,0|1,0,1]=4 2547 B9R1.69 C[C@@H]1CN([C@@H](CO1)C)C 269982a_100016991869_200000210301 [0,0,0,1,1,0|1,0,1]=4 2548 B9R1.69 C[C@@H]1CN([C@@H](CO1)C)C 34a_100016991869_200000210301 [0,0,0,1,1,0|1,0,1]=4 2549 B9R1.69 C[C@@H]1CN([C@@H](CO1)C)[13CH3] 2230a_100016991869_200025704644 [0,0,0,1,1,0|1,0,1]=4 2550 B9R1.69 C[C@@H]1CN([C@@H](CO1)C)[13CH3] 269982a_100016991869_200025704644 [0,0,0,1,1,0|1,0,1]=4 2551 B9R1.69 C[C@@H]1CN([C@@H](CO1)C)[13CH3] 34a_100016991869_200025704644 [0,0,0,1,1,0|1,0,1]=4 2552 B9R1.95 CC(=O)N1CC(C1)N[13CH3] 2230a_100102955437_200025704644 [0,0,0,1,1,0|2,0,0]=4 2553 B9R1.95 CNC1CN(C1)C(=O)C 2230a_100102955437_200000210301 [0,0,0,1,1,0|2,0,0]=4 2554 B9R1.95 CN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_200000210301 [0,0,0,1,1,0|2,0,0]=4 2555 B9R1.95 COC1CC(C1)C(=O)C 1458a_100011999411_200000210301 [0,0,0,1,1,0|2,0,0]=4 2556 B9R1.95 COC1CC(C1)C(=O)[13CH3] 1458a_100011999411_200025704644 [0,0,0,1,1,0|2,0,0]=4 2557 B9R1.95 [13CH3]N[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_200025704644 [0,0,0,1,1,0|2,0,0]=4 2558 B9R1.133 CNC1CCC(C1)(C)C 270004a_106832991635_100000759959 [0,0,0,1,1,0|0,0,1]=3 2559 B9R1.138 CC1CCC(N1C)(C)C 2230a_100015204717_200000210301 [0,0,0,1,1,0|0,0,1]=3 2560 B9R1.138 CC1CCC(N1C)(C)C 269982a_100015204717_200000210301 [0,0,0,1,1,0|0,0,1]=3 2561 B9R1.138 CC1CCC(N1C)(C)C 34a_100015204717_200000210301 [0,0,0,1,1,0|0,0,1]=3 2562 B9R1.138 CC1CCC(N1[13CH3])(C)C 2230a_100015204717_200025704644 [0,0,0,1,1,0|0,0,1]=3 2563 B9R1.138 CC1CCC(N1[13CH3])(C)C 269982a_100015204717_200025704644 [0,0,0,1,1,0|0,0,1]=3 2564 B9R1.138 CC1CCC(N1[13CH3])(C)C 34a_100015204717_200025704644 [0,0,0,1,1,0|0,0,1]=3 2565 B11R1.20 CC(=O)C=C1CCC(CC1)C 1458a_100000756110_200000210301 [0,0,0,1,0,1|2,0,0]=4 2566 B11R1.20 CC1CCC(=CC(=O)[13CH3])CC1 1458a_100000756110_200025704644 [0,0,0,1,0,1|2,0,0]=4 2567 B11R1.23 C#CC(C)N1CCC=C(C1)C 34a_100000725631_200000035995 [0,0,0,1,0,1|1,0,1]=4 2568 B11R1.23 C=CC(C)N1CCC=C(C1)C 269982a_100000725631_100011215867 [0,0,0,1,0,1|1,0,1]=4 2569 B11R1.23 CC1=CCCN(C1)C(C)C#N 2230a_100000725631_100000184139 [0,0,0,1,0,1|2,0,0]=4 2570 B11R1.23 CC1=CCCN(C1)C(C)C#N 269982a_100000725631_100000703298 [0,0,0,1,0,1|2,0,0]=4 2571 B11R1.23 CC1=CCCN(C1)C(C)CO 2230a_100000725631_100012180447 [0,0,0,1,0,1|2,0,0]=4 2572 B11R1.23 CC1=CCCN(C1)C(C)CO 34a_100000725631_100012180447 [0,0,0,1,0,1|2,0,0]=4 2573 B11R1.23 CC1=CCCN(C1)[C@H](C)CO 269982a_100000725631_100016084084 [0,0,0,1,0,1|2,0,0]=4 2574 B11R1.23 CCC(C)N1CCC=C(C1)C 2230a_100000725631_100000758301 [0,0,0,1,0,1|1,0,0]=3 2575 B11R1.23 CCC(C)N1CCC=C(C1)C 269982a_100000725631_100000758301 [0,0,0,1,0,1|1,0,0]=3 2576 B11R1.23 CCC(C)N1CCC=C(C1)C 34a_100000725631_100011215416 [0,0,0,1,0,1|1,0,0]=3 2577 B11R1.23 CNC(=O)N1CCC=C(C1)C 2708a_100102657272_100000725631 [0,0,0,1,0,1|1,0,1]=4 2578 B11R1.23 CNC(=O)N1CCC=C(C1)C 273464a_100102657272_100000725631 [0,0,0,1,0,1|1,0,1]=4 2579 B11R1.23 COC(C)N1CCC=C(C1)C 269982a_100000725631_100009879195 [0,0,0,1,0,1|1,0,0]=3 2580 B11R1.75 CC(=CCN1CCC(C1)O)C 2230a_100011215560_100000761012 [0,0,0,1,0,1|2,0,0]=4 2581 B11R1.75 CC(=CCN1CCC(C1)O)C 269982a_100011215560_100000761012 [0,0,0,1,0,1|2,0,0]=4 2582 B11R1.75 CC(=CCN1CC[C@@H](C1)F)C 2230a_100015203821_100000761012 [0,0,0,1,0,1|2,0,0]=4 2583 B11R1.75 CC(=CCN1CC[C@@H](C1)F)C 269982a_100015203821_100000761012 [0,0,0,1,0,1|2,0,0]=4 2584 B11R1.75 CC(=CCN1CC[C@@H](C1)F)C 34a_100015203821_100000761012 [0,0,0,1,0,1|2,0,0]=4 2585 B11R1.75 CC(=CCN1CC[C@H](C1)C)C 2230a_100016987628_100000761012 [0,0,0,1,0,1|1,0,0]=3 2586 B11R1.75 CC(=CCN1CC[C@H](C1)C)C 269982a_100016987628_100000761012 [0,0,0,1,0,1|1,0,0]=3 2587 B11R1.75 CC(=CCN1CC[C@H](C1)C)C 34a_100016987628_100000761012 [0,0,0,1,0,1|1,0,0]=3 2588 B11R1.75 CC(=CCN1CNC(=O)C1)C 2230a_200000708111_100000761012 [0,0,0,1,0,1|1,0,1]=4 2589 B11R1.102 CC(=CCCN[C@@H]1C[C@@H]1F)C 2230a_100015190264_100011217483 [0,0,0,1,0,1|2,0,0]=4 2590 B11R1.102 CC(=CCCN[C@@H]1C[C@H]1F)C 2230a_100025746932_100011217483 [0,0,0,1,0,1|2,0,0]=4 2591 B11R1.102 CC(=CCCN[C@@H]1C[C@H]1F)C 34a_100025746932_100011217483 [0,0,0,1,0,1|2,0,0]=4 2592 B11R1.102 CC(=CCOCC1CC1C)C 34a_100000744939_100000761012 [0,0,0,1,0,1|1,0,0]=3 2593 B11R1.102 CC(=CCOCC1CC1C)C 7a_100000744939_100000761012 [0,0,0,1,0,1|1,0,0]=3 2594 B11R1.147 CC(=CCN1C[C@@H]([C@@H]1C)O)C 2230a_206633788156_100000761012 [0,0,0,1,0,1|2,0,0]=4 2595 B11R1.147 CC(=CCN1C[C@@H]([C@@H]1C)O)C 269982a_206633788156_100000761012 [0,0,0,1,0,1|2,0,0]=4 2596 B11R1.161 CC(=CCCN1CCC1C)C 269982a_100000755817_100011217483 [0,0,0,1,0,1|1,0,0]=3 2597 B11R1.161 CC(=CCCN1CCC1C)C 34a_100000755817_100011217483 [0,0,0,1,0,1|1,0,0]=3 2598 B11R1.174 CC(=CCCNC1CCC1)C 2230a_100000749019_100011217483 [0,0,0,1,0,1|1,0,0]=3 2599 B11R1.174 CC(=CCCNC1CCC1)C 34a_100000749019_100011217483 [0,0,0,1,0,1|1,0,0]=3 2600 B11R1.174 CC(=CCCNC1COC1)C 2230a_100016991112_100011217483 [0,0,0,1,0,1|2,0,0]=4 2601 B11R1.174 CC(=CCCOC1CCC1)C 34a_100000748187_100011217483 [0,0,0,1,0,1|1,0,0]=3 2602 B11R1.174 CC(=CCCOC1CSC1)C 7a_100000072292_100011217483 [0,0,0,1,0,1|2,0,0]=4 2603 B11R1.174 CC(=CCCSC1CCC1)C 62a_100011217483_100000749161 [0,0,0,1,0,1|1,0,0]=3 2604 B11R1.174 CC(=CCCSC1COC1)C 62a_100011217483_100009818527 [0,0,0,1,0,1|2,0,0]=4 2605 B11R1.174 CC(=CCNCC1CCC1)C 2230a_100000738700_100000761012 [0,0,0,1,0,1|1,0,0]=3 2606 B11R1.174 CC(=CCNCC1CCC1)C 34a_100000718196_100000763275 [0,0,0,1,0,1|1,0,0]=3 2607 B11R1.174 CC(=CCNCC1CCC1)C 34a_100000738700_100000761012 [0,0,0,1,0,1|1,0,0]=3 2608 B11R1.174 CC(=CCNCC1CCO1)C 34a_100000718196_100000103362 [0,0,0,1,0,1|1,0,0]=3 2609 B11R1.174 CC(=CCNCC1COC1)C 2230a_100015281925_100000761012 [0,0,0,1,0,1|2,0,0]=4 2610 B11R1.174 CC(=CCNCC1COC1)C 34a_100000718196_100010264016 [0,0,0,1,0,1|2,0,0]=4 2611 B11R1.174 CC(=CCNCC1COC1)C 34a_100015281925_100000761012 [0,0,0,1,0,1|2,0,0]=4 2612 B11R1.174 CC(=CCNC[C@@H]1CCO1)C 2230a_100020831831_100000761012 [0,0,0,1,0,1|1,0,0]=3 2613 B11R1.174 CC(=CCNC[C@@H]1CCO1)C 34a_100020831831_100000761012 [0,0,0,1,0,1|1,0,0]=3 2614 B11R1.174 CC(=CCOCC1CCC1)C 34a_100000753907_100000763275 [0,0,0,1,0,1|1,0,0]=3 2615 B11R1.174 CC(=CCOCC1CCC1)C 34a_100000760304_100000761012 [0,0,0,1,0,1|1,0,0]=3 2616 B11R1.174 CC(=CCOCC1CCO1)C 34a_100000039022_100000761012 [0,0,0,1,0,1|1,0,0]=3 2617 B11R1.174 CC(=CCOCC1CCO1)C 34a_100000753907_100000103362 [0,0,0,1,0,1|1,0,0]=3 2618 B11R1.174 CC(=CCOCC1CNC1)C 34a_100016987283_100000761012 [0,0,0,1,0,1|2,0,0]=4 2619 B11R1.174 CC(=CCOCC1COC1)C 34a_100000060846_100000761012 [0,0,0,1,0,1|2,0,0]=4 2620 B11R1.174 CC(=CCOCC1COC1)C 34a_100000753907_100010264016 [0,0,0,1,0,1|2,0,0]=4 2621 B11R1.174 CC(=CCSCC1CCC1)C 62a_100000761012_100000763275 [0,0,0,1,0,1|1,0,0]=3 2622 B11R1.174 CC(=CCSCC1CCC1)C 62a_100000763275_100000761012 [0,0,0,1,0,1|1,0,0]=3 2623 B11R1.174 CC(=CCSCC1CCO1)C 62a_100000103362_100000761012 [0,0,0,1,0,1|1,0,0]=3 2624 B11R1.174 CC(=CCSCC1CCO1)C 62a_100000761012_100000103362 [0,0,0,1,0,1|1,0,0]=3 2625 B11R1.174 CC(=CCSCC1COC1)C 62a_100000761012_100010264016 [0,0,0,1,0,1|2,0,0]=4 2626 B11R1.174 CC(=CCSCC1COC1)C 62a_100010264016_100000761012 [0,0,0,1,0,1|2,0,0]=4 2627 B11R1.262 CC(=CCN1CC(C1)CF)C 269982a_100010363649_100000761012 [0,0,0,1,0,1|2,0,0]=4 2628 B11R1.262 CC(=CCN1CC(C1)CF)C 34a_100010363649_100000761012 [0,0,0,1,0,1|2,0,0]=4 2629 B11R1.262 CC(=CCN1CC(C1)CO)C 269982a_100016987283_100000761012 [0,0,0,1,0,1|2,0,0]=4 2630 B11R1.262 CC(=CCN1CC(C1)CO)C 34a_100016987283_100000761012 [0,0,0,1,0,1|2,0,0]=4 2631 B11R1.262 CCC1CN(C1)CC=C(C)C 2230a_100015205115_100000761012 [0,0,0,1,0,1|1,0,0]=3 2632 B11R1.262 CCC1CN(C1)CC=C(C)C 269982a_100015205115_100000761012 [0,0,0,1,0,1|1,0,0]=3 2633 B11R1.262 COC1CN(C1)CC=C(C)C 269982a_100000755009_100000761012 [0,0,0,1,0,1|1,0,0]=3 2634 B11R1.262 CSC1CN(C1)CC=C(C)C 269982a_100016990038_100000761012 [0,0,0,1,0,1|1,0,0]=3 2635 B11R1.717 CC(=CCCNC1(CC1)C)C 2230a_100000757604_100011217483 [0,0,0,1,0,1|1,0,0]=3 2636 B11R1.717 CC(=CCCOC1(CC1)C)C 7a_100011725673_100011217483 [0,0,0,1,0,1|1,0,0]=3 2637 B11R1.717 CC(=CCNCC1(CC1)C)C 2230a_100000766693_100000761012 [0,0,0,1,0,1|1,0,0]=3 2638 B11R1.717 CC(=CCNCC1(CC1)O)C 2230a_100011936951_100000761012 [0,0,0,1,0,1|2,0,0]=4 2639 B11R1.717 CC(=CCNCC1(CO1)C)C 34a_100000718196_100000760498 [0,0,0,1,0,1|1,0,0]=3 2640 B11R1.717 CC(=CCOCC1(CC1)C)C 7a_100000698024_100000761012 [0,0,0,1,0,1|1,0,0]=3 2641 B11R1.717 CC(=CCOCC1(CC1)F)C 34a_200000703853_100000761012 [0,0,0,1,0,1|2,0,0]=4 2642 B11R1.717 CC(=CCOCC1(CC1)F)C 7a_200000703853_100000761012 [0,0,0,1,0,1|2,0,0]=4 2643 B11R1.717 CC(=CCOCC1(CO1)C)C 34a_100000753907_100000760498 [0,0,0,1,0,1|1,0,0]=3 2644 B11R1.717 CC(=CCSCC1(CO1)C)C 62a_100000760498_100000761012 [0,0,0,1,0,1|1,0,0]=3 2645 B11R1.717 CC(=CCSCC1(CO1)C)C 62a_100000761012_100000760498 [0,0,0,1,0,1|1,0,0]=3 2646 B11R1.90 CC(=CCN1CCC[C@@H]1C)C 2230a_100020605311_100000761012 [0,1,0,1,0,0|2,0,0]=4 2647 B11R1.90 CC(=CCN1CCC[C@@H]1C)C 269982a_100020605311_100000761012 [0,1,0,1,0,0|2,0,0]=4 2648 B11R1.90 CC(=CCN1CCC[C@H]1C)C 2230a_100015189458_100000761012 [0,1,0,1,0,0|2,0,0]=4 2649 B11R1.90 CC(=CCN1CCC[C@H]1C)C 269982a_100015189458_100000761012 [0,1,0,1,0,0|2,0,0]=4 2650 B11R1.90 CC(=CCN1CCC[C@H]1C)C 34a_100015189458_100000761012 [0,1,0,1,0,0|2,0,0]=4 2651 B11R1.90 CC(=CCN1CCSC1C)C 2230a_200011216479_100000761012 [0,1,0,1,0,0|2,0,0]=4 2652 B11R1.90 CC(=CCN1CCSC1C)C 269982a_200011216479_100000761012 [0,1,0,1,0,0|2,0,0]=4 2653 B11R1.90 CC(=CCN1CCSC1C)C 34a_200011216479_100000761012 [0,1,0,1,0,0|2,0,0]=4 2654 B11R1.124 CC(C)N1CCC(C1)CN[13CH3] 2230a_100000743801_200025704644 [0,1,0,1,0,0|1,0,1]=4 2655 B11R1.124 CC(C)N1CCC(C1)CN[13CH3] 34a_100000743801_200025704644 [0,1,0,1,0,0|1,0,1]=4 2656 B11R1.124 CCNC1CCN(C1)C(=O)C 2230a_100000705975_100000210202 [0,1,0,1,0,0|2,0,0]=4 2657 B11R1.124 CCNC1CCN(C1)C(C)C 2230a_100000746141_100000210202 [0,1,0,1,0,0|1,0,1]=4 2658 B11R1.124 CNCC1CCN(C1)C(C)C 2230a_100000743801_200000210301 [0,1,0,1,0,0|1,0,1]=4 2659 B11R1.124 CNCC1CCN(C1)C(C)C 2230a_106832991635_100015187125 [0,1,0,1,0,0|1,0,1]=4 2660 B11R1.124 CNCC1CCN(C1)C(C)C 34a_100000743801_200000210301 [0,1,0,1,0,0|1,0,1]=4 2661 B11R1.124 CNCC1CCN(C1)C(C)C 34a_100102657272_100015187125 [0,1,0,1,0,0|1,0,1]=4 2662 B11R1.154 CC(=CCCN1CC(C1)C)C 2230a_100000702820_100011217483 [0,1,0,1,0,0|2,0,0]=4 2663 B11R1.154 CC(=CCCN1CC(C1)C)C 269982a_100000702820_100011217483 [0,1,0,1,0,0|2,0,0]=4 2664 B11R1.154 CC(=CCCN1CC(C1)C)C 34a_100000702820_100011217483 [0,1,0,1,0,0|2,0,0]=4 2665 B11R1.154 CC(=CCCN1CC(C1)F)C 2230a_100000690557_100011217483 [0,1,0,1,0,0|2,0,0]=4 2666 B11R1.154 CC(=CCCN1CC(C1)F)C 269982a_100000690557_100011217483 [0,1,0,1,0,0|2,0,0]=4 2667 B11R1.154 CC(=CCCN1CC(C1)F)C 34a_100000690557_100011217483 [0,1,0,1,0,0|2,0,0]=4 2668 B11R1.154 CC(=CCCN1CC(C1)O)C 269982a_100000749847_100011217483 [0,1,0,1,0,0|2,0,0]=4 2669 B11R1.154 CC(=CCNC1CC(C1)F)C 2230a_100016993743_100000761012 [0,1,0,1,0,0|2,0,0]=4 2670 B11R1.154 CC(=CCN[C@H]1C[C@@H](C1)O)C 2230a_100020629032_100000761012 [0,1,0,1,0,0|2,0,0]=4 2671 B11R1.172 CC(=CCCN1CCCC1)C 2230a_100000188435_100011217483 [0,1,0,1,0,0|2,0,0]=4 2672 B11R1.172 CC(=CCCN1CCCC1)C 269982a_100000188435_100011217483 [0,1,0,1,0,0|2,0,0]=4 2673 B11R1.172 CC(=CCCN1CCSC1)C 2230a_100011215254_100011217483 [0,1,0,1,0,0|2,0,0]=4 2674 B11R1.172 CC(=CCCN1CCSC1)C 269982a_100011215254_100011217483 [0,1,0,1,0,0|2,0,0]=4 2675 B11R1.172 CC(=CCNC1CCCC1)C 2230a_100000211070_100000761012 [0,1,0,1,0,0|2,0,0]=4 2676 B11R1.172 CC(=CCNC1CCCC1)C 270004a_100000718196_100000210133 [0,1,0,1,0,0|2,0,0]=4 2677 B11R1.172 CC(=CCNC1CCCC1)C 34a_100000211070_100000761012 [0,1,0,1,0,0|2,0,0]=4 2678 B11R1.172 CC(=CCNC1CCCC1)C 34a_100000718196_100000179811 [0,1,0,1,0,0|2,0,0]=4 2679 B11R1.172 CC(=CCNC1CCOC1)C 270004a_100000718196_100000752484 [0,1,0,1,0,0|2,0,0]=4 2680 B11R1.172 CC(=CCNC1CCOC1)C 34a_100000718196_100000690089 [0,1,0,1,0,0|2,0,0]=4 2681 B11R1.172 CC(=CCNC1CCSC1)C 270004a_100000718196_100000212027 [0,1,0,1,0,0|2,0,0]=4 2682 B11R1.172 CC(=CCN[C@@H]1CCOC1)C 2230a_200015188469_100000761012 [0,1,0,1,0,0|2,0,0]=4 2683 B11R1.172 CC(=CCN[C@H]1CCOC1)C 2230a_100015188467_100000761012 [0,1,0,1,0,0|2,0,0]=4 2684 B11R1.172 CC(=CCN[C@H]1CCOC1)C 34a_100015188467_100000761012 [0,1,0,1,0,0|2,0,0]=4 2685 B11R1.172 CC(=CCOC1CCCC1)C 34a_100000210269_100000761012 [0,1,0,1,0,0|2,0,0]=4 2686 B11R1.172 CC(=CCOC1CCCC1)C 34a_100000753907_100000179811 [0,1,0,1,0,0|2,0,0]=4 2687 B11R1.172 CC(=CCOC1CCCC1)C 7a_100000210269_100000761012 [0,1,0,1,0,0|2,0,0]=4 2688 B11R1.172 CC(=CCOC1CCCO1)C 34a_100000085407_100000761012 [0,1,0,1,0,0|2,0,0]=4 2689 B11R1.172 CC(=CCOC1CCOC1)C 34a_100000753907_100000690089 [0,1,0,1,0,0|2,0,0]=4 2690 B11R1.172 CC(=CCOC1CCSC1)C 7a_100011232664_100000761012 [0,1,0,1,0,0|2,0,0]=4 2691 B11R1.172 CC(=CCO[C@H]1CCOC1)C 34a_100000717292_100000761012 [0,1,0,1,0,0|2,0,0]=4 2692 B11R1.172 CC(=CCSC1CCCC1)C 62a_100000761012_100000179811 [0,1,0,1,0,0|2,0,0]=4 2693 B11R1.172 CC(=CCSC1CCCC1)C 62a_100011217020_100000761012 [0,1,0,1,0,0|2,0,0]=4 2694 B11R1.172 CC(=CCSC1CCOC1)C 62a_100000761012_100000690089 [0,1,0,1,0,0|2,0,0]=4 2695 B11R1.172 CC(C)OCCC1CCNC1 34a_100016987287_100000210206 [0,1,0,1,0,0|1,0,1]=4 2696 B11R1.342 CCNC1CCCC(C1)(C)C 270004a_100015525214_100000031663 [0,1,0,1,0,0|0,0,2]=4 2697 B11R1.342 CCNC1CCNC(C1)(C)C 270004a_100015525214_100015191244 [0,1,0,1,0,0|1,0,1]=4 2698 B11R1.342 CCNC1CCOC(C1)(C)C 2230a_100000696200_100000210202 [0,1,0,1,0,0|1,0,1]=4 2699 B11R1.342 CCNC1CCOC(C1)(C)C 270004a_100015525214_100000755756 [0,1,0,1,0,0|1,0,1]=4 2700 B11R1.342 CNCC1CCOC(C1)(C)C 269862a_106832991636_100011361580 [0,1,0,1,0,0|1,0,1]=4 2701 B11R1.342 CNCC1CCOC(C1)(C)C 270004a_106832991635_100011361580 [0,1,0,1,0,0|1,0,1]=4 2702 B11R1.720 CC(=CCCN(C)C1CC1)C 2230a_100000226674_100011217483 [0,1,0,1,0,0|2,0,0]=4 2703 B11R1.720 CC(=CCCN(C)C1CC1)C 269982a_100000226674_100011217483 [0,1,0,1,0,0|2,0,0]=4 2704 B11R1.720 CC(=CCNC(C)C1CC1)C 2230a_100000700016_100000761012 [0,1,0,1,0,0|2,0,0]=4 2705 B11R1.720 CC(=CCNC(C)C1CC1)C 34a_100000700016_100000761012 [0,1,0,1,0,0|2,0,0]=4 2706 B11R1.720 CC(=CCNC(C)C1CO1)C 270004a_100000718196_100000031964 [0,1,0,1,0,0|2,0,0]=4 2707 B11R1.720 CC(=CCOC(C)C1CC1)C 34a_100000744524_100000761012 [0,1,0,1,0,0|2,0,0]=4 2708 B11R1.720 CC(=CCOC(C)C1CC1)C 7a_100000744524_100000761012 [0,1,0,1,0,0|2,0,0]=4 2709 B11R1.924 CC(=CCNC1(CCC1)C)C 2230a_100000692455_100000761012 [0,1,0,1,0,0|2,0,0]=4 2710 B11R1.924 CC(=CCNC1(CCC1)C)C 34a_100000692455_100000761012 [0,1,0,1,0,0|2,0,0]=4 2711 B11R1.924 CC(=CCNC1(COC1)C)C 2230a_100000732644_100000761012 [0,1,0,1,0,0|2,0,0]=4 2712 B11R1.924 CC(=CCOC1(CCC1)C)C 34a_100000759064_100000761012 [0,1,0,1,0,0|2,0,0]=4 2713 B11R1.924 CC(=CCOC1(CCC1)C)C 7a_100000759064_100000761012 [0,1,0,1,0,0|2,0,0]=4 2714 B11R1.924 CC(=CCOC1(CSC1)C)C 7a_100016018533_100000761012 [0,1,0,1,0,0|2,0,0]=4 2715 B11R1.10 CC1CC(CC(C1)(C)C)N[13CH3] 2230a_100011207991_200025704644 [0,1,0,1,0,0|0,0,2]=4 2716 B11R1.10 CNC1CC(CC(C1)(C)C)C 2230a_100011207991_200000210301 [0,1,0,1,0,0|0,0,2]=4 2717 B11R1.10 CNC1CC(CC(C1)(C)C)C 270004a_106832991635_100000209998 [0,1,0,1,0,0|0,0,2]=4 2718 B11R1.484 CC(=CC(=O)CC1CCC1)C 1458a_100000211388_100000763275 [0,1,0,1,0,0|1,0,1]=4 2719 B11R1.484 CC(=CC(=O)CC1CCO1)C 1458a_100000211388_100000103362 [0,1,0,1,0,0|1,0,1]=4 2720 B11R1.484 CC(=CC(C)OC1CCC1)C 34a_100000717055_100000749161 [0,1,0,1,0,0|2,0,0]=4 2721 B11R1.728 CC(=CC(=O)CC1(CO1)C)C 1458a_100000211388_100000760498 [0,1,0,1,0,0|1,0,1]=4 2722 B11R1.22 CCC(C)N1CC=C(CC1)C 2230a_100000693516_100000758301 [0,1,0,1,0,0|2,0,0]=4 2723 B11R1.22 CCC(C)N1CC=C(CC1)C 269982a_100000693516_100000758301 [0,1,0,1,0,0|2,0,0]=4 2724 B11R1.22 CCC(C)N1CC=C(CC1)C 34a_100000693516_100011215416 [0,1,0,1,0,0|2,0,0]=4 2725 B11R1.22 CNC(=O)C1CC=C(CC1)C 11a_106832991635_100000137427 [0,1,0,1,0,0|1,0,1]=4 2726 B11R1.22 CNC(=O)C1CC=C(CC1)C 1626a_100102657272_100000137427 [0,1,0,1,0,0|1,0,1]=4 2727 B11R1.22 CNC(=O)C1CC=C(CC1)C 240690a_100102657272_100000137427 [0,1,0,1,0,0|1,0,1]=4 2728 B11R1.22 CNC(=O)C1CC=C(CC1)C 527a_100102657272_100000137427 [0,1,0,1,0,0|1,0,1]=4 2729 B11R1.22 CNC(C)C1CC=C(CC1)C 269862a_106832991636_100000073480 [0,1,0,1,0,0|0,0,0]=2 2730 B11R1.22 CNC(C)C1CC=C(CC1)C 270004a_106832991635_100000073480 [0,1,0,1,0,0|0,0,0]=2 2731 B11R1.22 CNC(C)C1CCN(CC1)C 269862a_106832991636_100000739861 [0,1,0,1,0,0|1,0,1]=4 2732 B11R1.22 COC(C)N1CC=C(CC1)C 269982a_100000693516_100009879195 [0,1,0,1,0,0|2,0,0]=4 2733 B11R1.103 CC(=CCC(=O)C1CC1C)C 1458a_100000211227_100000761012 [0,1,0,1,0,0|1,0,1]=4 2734 B11R1.346 CC(=CCC(=O)C1CCC1)C 1458a_100000209988_100000761012 [0,1,0,1,0,0|1,0,1]=4 2735 B11R1.346 CC(=CCC(=O)C1CCC1)C 1458a_100011220947_100000749161 [0,1,0,1,0,0|1,0,1]=4 2736 B11R1.346 CC(=CCC(=O)C1CCO1)C 1458a_100000089072_100000761012 [0,1,0,1,0,0|1,0,1]=4 2737 B11R1.346 CC(=CCN(C)C1CCC1)C 2230a_100000758072_100000761012 [0,1,0,1,0,0|2,0,0]=4 2738 B11R1.346 CC(=CCN(C)C1CCC1)C 269982a_100000758072_100000761012 [0,1,0,1,0,0|2,0,0]=4 2739 B11R1.346 CC(=CCN(C)C1CCC1)C 34a_100000758072_100000761012 [0,1,0,1,0,0|2,0,0]=4 2740 B11R1.347 CC(=CCC(=O)C1(CC1)C)C 1458a_100000756474_100000761012 [0,1,0,1,0,0|1,0,1]=4 2741 B11R1.407 CC(=CCNC1(CC1)CF)C 2230a_100000054953_100000761012 [0,1,0,1,0,0|2,0,0]=4 2742 B11R1.407 CC(=CCNC1(CC1)CF)C 34a_100000054953_100000761012 [0,1,0,1,0,0|2,0,0]=4 2743 B11R1.407 CCC1(CC1)NCC=C(C)C 2230a_100000732774_100000761012 [0,1,0,1,0,0|2,0,0]=4 2744 B11R1.1322 CC1(CCCC(N1[13CH3])(C)C)C 269982a_100011193410_200025704644 [0,1,0,1,0,0|0,0,2]=4 2745 B11R1.1322 CC1(CCCC(N1[13CH3])(C)C)C 34a_100011193410_200025704644 [0,1,0,1,0,0|0,0,2]=4 2746 B11R1.1322 CC1(CCCC(N1[13CH3])(C)C)C 7a_100011193410_200025704644 [0,1,0,1,0,0|0,0,2]=4 2747 B11R1.1322 CN1C(CCCC1(C)C)(C)C 269982a_100011193410_200000210301 [0,1,0,1,0,0|0,0,2]=4 2748 B11R1.1322 CN1C(CCCC1(C)C)(C)C 34a_100011193410_200000210301 [0,1,0,1,0,0|0,0,2]=4 2749 B11R1.1322 CN1C(CCCC1(C)C)(C)C 7a_100011193410_200000210301 [0,1,0,1,0,0|0,0,2]=4 2750 B11R1.3 CC(=O)N1CCC(CC1)N[13CH3] 2230a_100000203771_200025704644 [0,1,0,1,0,0|2,0,0]=4 2751 B11R1.3 CC(C)C1CCC(CC1)N[13CH3] 2230a_100011734324_200025704644 [0,1,0,1,0,0|0,0,2]=4 2752 B11R1.3 CC(C)C1CCC(CC1)N[13CH3] 34a_100011734324_200025704644 [0,1,0,1,0,0|0,0,2]=4 2753 B11R1.3 CC(C)N1CCC(CC1)N[13CH3] 2230a_100000198580_200025704644 [0,1,0,1,0,0|1,0,1]=4 2754 B11R1.3 CNC1CCC(CC1)C(C)C 2230a_100011734324_200000210301 [0,1,0,1,0,0|0,0,2]=4 2755 B11R1.3 CNC1CCC(CC1)C(C)C 270004a_106832991635_100000748182 [0,1,0,1,0,0|0,0,2]=4 2756 B11R1.3 CNC1CCC(CC1)C(C)C 34a_100011734324_200000210301 [0,1,0,1,0,0|0,0,2]=4 2757 B11R1.3 CNC1CCC(CC1)N(C)C 270004a_100102631434_200016988011 [0,1,0,1,0,0|1,0,1]=4 2758 B11R1.3 CNC1CCC(CC1)N(C)C 270004a_106832991635_100020631289 [0,1,0,1,0,0|1,0,1]=4 2759 B11R1.3 CNC1CCN(CC1)C(=O)C 2230a_100000203771_200000210301 [0,1,0,1,0,0|2,0,0]=4 2760 B11R1.3 CNC1CCN(CC1)C(=O)C 270004a_106832991635_100000162417 [0,1,0,1,0,0|2,0,0]=4 2761 B11R1.3 CNC1CCN(CC1)C(C)C 2230a_100000198580_200000210301 [0,1,0,1,0,0|1,0,1]=4 2762 B11R1.3 CNC1CCN(CC1)C(C)C 270004a_106832991635_100000210694 [0,1,0,1,0,0|1,0,1]=4 2763 B11R1.3 CNC1CCN(CC1)N(C)C 270004a_106832991635_100009989500 [0,1,0,1,0,0|2,0,0]=4 2764 B11R1.281 CC1(C[C@H](CC[C@@H]1O)N[13CH3])C 2230a_206256553148_200025704644 [0,1,0,1,0,0|0,0,2]=4 2765 B11R1.281 CN[C@H]1CC[C@@H](C(C1)(C)C)O 2230a_206256553148_200000210301 [0,1,0,1,0,0|0,0,2]=4 2766 B11R1.321 COC1CC(C1)C(=O)C(C)C 1458a_100011999411_100000210206 [0,1,0,1,0,0|1,0,1]=4 2767 B11R1.321 COC1CC(C1)C(=O)N(C)C 11a_100102631434_100011999411 [0,1,0,1,0,0|2,0,0]=4 2768 B11R1.321 COC1CC(C1)C(=O)N(C)C 1626a_100102631434_100011999411 [0,1,0,1,0,0|2,0,0]=4 2769 B11R1.321 COC1CC(C1)C(=O)N(C)C 240690a_100102631434_100011999411 [0,1,0,1,0,0|2,0,0]=4 2770 B11R1.321 COC1CC(C1)C(=O)N(C)C 527a_100102631434_100011999411 [0,1,0,1,0,0|2,0,0]=4 2771 B11R1.175 CC(=O)N1CC[C@@H](C1)N(C)C 240690a_100016988096_100015343762 [0,1,0,1,0,0|2,0,0]=4 2772 B11R1.175 CC(=O)N1CC[C@@H](C1)N(C)C 527a_100016988096_100103153847 [0,1,0,1,0,0|2,0,0]=4 2773 B11R1.175 CC(C)N1CC[C@@H](C1)N(C)C 2230a_100016988096_100000210206 [0,1,0,1,0,0|1,0,1]=4 2774 B11R1.175 CC(C)N1CC[C@@H](C1)N(C)C 269982a_100016988096_100000210206 [0,1,0,1,0,0|1,0,1]=4 2775 B11R1.730 CN(C)C1CCCC(C1)(C)C 270004a_100102631434_100000031663 [0,1,0,1,0,0|0,0,2]=4 2776 B11R1.730 CN(C)C1CCNC(C1)(C)C 270004a_100102631434_100015191244 [0,1,0,1,0,0|1,0,1]=4 2777 B11R1.730 CN(C)C1CCOC(C1)(C)C 269982a_100102631434_100010191092 [0,1,0,1,0,0|1,0,1]=4 2778 B11R1.730 CN(C)C1CCOC(C1)(C)C 270004a_100102631434_100000755756 [0,1,0,1,0,0|1,0,1]=4 2779 B7R0.6 C=C(C)CCN(C)C 2230a_100102631434_100000730704 [1,0,0,0,1,0|1,0,1]=4 2780 B7R0.6 C=C(C)CCN(C)C 269982a_100102631434_100000730704 [1,0,0,0,1,0|1,0,1]=4 2781 B7R0.6 C=C(C)CNC(C)C 2230a_100138425928_100000748629 [1,0,0,0,1,0|1,0,1]=4 2782 B7R0.6 C=C(C)CNC(C)C 34a_100138425928_100000748629 [1,0,0,0,1,0|1,0,1]=4 2783 B7R0.6 C=C(C)COC(C)C 34a_100000210245_100000210206 [1,0,0,0,1,0|1,0,1]=4 2784 B7R0.6 C=C(C)COC(C)C 34a_100000212225_100000748629 [1,0,0,0,1,0|1,0,1]=4 2785 B7R0.6 C=C(C)CSC(C)C 62a_100000210206_100000211660 [1,0,0,0,1,0|1,0,1]=4 2786 B7R0.6 C=C(C)CSC(C)C 62a_100000748629_100000210206 [1,0,0,0,1,0|1,0,1]=4 2787 B7R0.6 CC(=CCC(=O)[13CH3])C 1458a_100011220947_200025704644 [1,0,0,0,1,0|1,0,1]=4 2788 B7R0.6 CC(=CCN(C)C)C 2230a_100102631434_100000761012 [1,0,0,0,1,0|1,0,0]=3 2789 B7R0.6 CC(=CCN(C)C)C 269982a_100102631434_100000761012 [1,0,0,0,1,0|1,0,0]=3 2790 B7R0.6 CC(=O)C=CC(C)C 1458a_100016268746_200000210301 [1,0,0,0,1,0|1,0,1]=4 2791 B7R0.6 CC(=O)CC=C(C)C 1458a_100000070787_100000761012 [1,0,0,0,1,0|1,0,1]=4 2792 B7R0.6 CC(=O)CC=C(C)C 1458a_100011220947_200000210301 [1,0,0,0,1,0|1,0,1]=4 2793 B7R0.6 CC(=O)CCC(C)C 1458a_100000070787_100000210312 [1,0,0,0,1,0|1,0,0]=3 2794 B7R0.6 CC(=O)CCC(C)C 1458a_100000181311_200000210301 [1,0,0,0,1,0|1,0,0]=3 2795 B7R0.6 CC(=O)CCC(C)O 1458a_100000070787_100012276601 [1,0,0,0,1,0|2,0,0]=4 2796 B7R0.6 CC(=O)CCN(C)C 269982a_100102631434_100000053229 [1,0,0,0,1,0|2,0,0]=4 2797 B7R0.6 CC(=O)CC[S+](C)C 1458a_100009452791_200000210301 [1,0,0,0,1,0|2,0,0]=4 2798 B7R0.6 CC(=O)COC(C)C 1458a_100000745533_200000210301 [1,0,0,0,1,0|2,0,0]=4 2799 B7R0.6 CC(=O)COC(C)C 34a_100000211253_100000210206 [1,0,0,0,1,0|2,0,0]=4 2800 B7R0.6 CC(=O)CSC(C)C 1458a_100000241585_200000210301 [1,0,0,0,1,0|2,0,0]=4 2801 B7R0.6 CC(=O)NCC(C)C 11a_100000210953_100015343762 [1,0,0,0,1,0|2,0,0]=4 2802 B7R0.6 CC(=O)NCC(C)C 1626a_100000210953_100015343762 [1,0,0,0,1,0|2,0,0]=4 2803 B7R0.6 CC(=O)NCC(C)C 240690a_100000210953_100015343762 [1,0,0,0,1,0|2,0,0]=4 2804 B7R0.6 CC(=O)NCC(C)C 527a_100000210953_100103153847 [1,0,0,0,1,0|2,0,0]=4 2805 B7R0.6 CC(C)C=CC(=O)[13CH3] 1458a_100016268746_200025704644 [1,0,0,0,1,0|1,0,1]=4 2806 B7R0.6 CC(C)CCC(=O)[13CH3] 1458a_100000181311_200025704644 [1,0,0,0,1,0|1,0,0]=3 2807 B7R0.6 CC(C)CCN(C)C 2230a_100000742789_200000210301 [1,0,0,0,1,0|1,0,0]=3 2808 B7R0.6 CC(C)CCN(C)C 2230a_100102631434_100000210312 [1,0,0,0,1,0|1,0,0]=3 2809 B7R0.6 CC(C)CCN(C)C 269982a_100000742789_200000210301 [1,0,0,0,1,0|1,0,0]=3 2810 B7R0.6 CC(C)CCN(C)C 269982a_100102631434_100000210312 [1,0,0,0,1,0|1,0,0]=3 2811 B7R0.6 CC(C)CCN(C)[13CH3] 2230a_100000742789_200025704644 [1,0,0,0,1,0|1,0,0]=3 2812 B7R0.6 CC(C)CCN(C)[13CH3] 269982a_100000742789_200025704644 [1,0,0,0,1,0|1,0,0]=3 2813 B7R0.6 CC(C)CNC(C)C 2230a_100000210953_100000210206 [1,0,0,0,1,0|1,0,1]=4 2814 B7R0.6 CC(C)CNC(C)C 2230a_100138425928_100000210760 [1,0,0,0,1,0|1,0,1]=4 2815 B7R0.6 CC(C)CNC(C)C 34a_100000210953_100000210206 [1,0,0,0,1,0|1,0,1]=4 2816 B7R0.6 CC(C)CNC(C)C 34a_100138425928_100000210624 [1,0,0,0,1,0|1,0,1]=4 2817 B7R0.6 CC(C)COC(C)C 34a_100000210257_100000210206 [1,0,0,0,1,0|1,0,1]=4 2818 B7R0.6 CC(C)COC(C)C 34a_100000212225_100000210624 [1,0,0,0,1,0|1,0,1]=4 2819 B7R0.6 CC(C)CSC(C)C 62a_100000210206_100000210760 [1,0,0,0,1,0|1,0,1]=4 2820 B7R0.6 CC(C)CSC(C)C 62a_100000210624_100000210206 [1,0,0,0,1,0|1,0,1]=4 2821 B7R0.6 CC(C)OCC(=O)[13CH3] 1458a_100000745533_200025704644 [1,0,0,0,1,0|2,0,0]=4 2822 B7R0.6 CC(C)OCN(C)C 2230a_100102631434_100000709892 [1,0,0,0,1,0|2,0,0]=4 2823 B7R0.6 CC(C)OCN(C)C 269982a_100102631434_100000709892 [1,0,0,0,1,0|2,0,0]=4 2824 B7R0.6 CC(C)OC[C@@H](C)N 34a_100000737577_100000210206 [1,0,0,0,1,0|1,0,1]=4 2825 B7R0.6 CC(C)SCC(=O)[13CH3] 1458a_100000241585_200025704644 [1,0,0,0,1,0|2,0,0]=4 2826 B7R0.6 CC(O)CCN(C)C 2230a_100102631434_100012276601 [1,0,0,0,1,0|2,0,0]=4 2827 B7R0.6 CC(O)CCN(C)C 269982a_100102631434_100012276601 [1,0,0,0,1,0|2,0,0]=4 2828 B7R0.6 CN(C)CCN(C)C 269982a_100000225618_200000210301 [1,0,0,0,1,0|2,0,0]=4 2829 B7R0.6 CN(C)CCN(C)C 269982a_100102631434_100000755713 [1,0,0,0,1,0|2,0,0]=4 2830 B7R0.6 CN(C)CCN(C)[13CH3] 269982a_100000225618_200025704644 [1,0,0,0,1,0|2,0,0]=4 2831 B7R0.6 C[S+](C)CCC(=O)[13CH3] 1458a_100009452791_200025704644 [1,0,0,0,1,0|2,0,0]=4 2832 B7R0.2 CC(=CC(C)O[13CH3])C 34a_100000717055_200025704644 [0,0,0,0,2,0|1,0,0]=3 2833 B7R0.2 CC(C)CC(C)N[13CH3] 2230a_100000692259_200025704644 [0,0,0,0,2,0|0,0,1]=3 2834 B7R0.2 CC(C)CC(C)O[13CH3] 34a_100000211805_200025704644 [0,0,0,0,2,0|1,0,1]=4 2835 B7R0.2 CC(C)CC(C)O[13CH3] 7a_100000211805_200025704644 [0,0,0,0,2,0|1,0,1]=4 2836 B7R0.2 CC(C)CC(C)S[13CH3] 62a_100000731052_200025704644 [0,0,0,0,2,0|1,0,1]=4 2837 B7R0.2 CC(C)CC(C)S[13CH3] 62a_200025704644_100000731052 [0,0,0,0,2,0|1,0,1]=4 2838 B7R0.2 CC(CN(C)C)S[13CH3] 62a_100020606517_200025704644 [0,0,0,0,2,0|2,0,0]=4 2839 B7R0.2 CC(CN(C)C)S[13CH3] 62a_200025704644_100020606517 [0,0,0,0,2,0|2,0,0]=4 2840 B7R0.2 CCC(C)CC(=O)C 1458a_100000070787_100000748023 [0,0,0,0,2,0|2,0,0]=4 2841 B7R0.2 CCC(C)CC(=O)C 1458a_100000708755_200000210301 [0,0,0,0,2,0|2,0,0]=4 2842 B7R0.2 CCC(C)CC(=O)[13CH3] 1458a_100000708755_200025704644 [0,0,0,0,2,0|2,0,0]=4 2843 B7R0.2 CCC(C)CN(C)C 2230a_100000753921_200000210301 [0,0,0,0,2,0|2,0,0]=4 2844 B7R0.2 CCC(C)CN(C)C 2230a_100102631434_100000748023 [0,0,0,0,2,0|2,0,0]=4 2845 B7R0.2 CCC(C)CN(C)C 269982a_100000753921_200000210301 [0,0,0,0,2,0|2,0,0]=4 2846 B7R0.2 CCC(C)CN(C)C 269982a_100102631434_100000748023 [0,0,0,0,2,0|2,0,0]=4 2847 B7R0.2 CCC(C)CN(C)C 270004a_100102631434_100000243153 [0,0,0,0,2,0|2,0,0]=4 2848 B7R0.2 CCC(C)CN(C)[13CH3] 2230a_100000753921_200025704644 [0,0,0,0,2,0|2,0,0]=4 2849 B7R0.2 CCC(C)CN(C)[13CH3] 269982a_100000753921_200025704644 [0,0,0,0,2,0|2,0,0]=4 2850 B7R0.2 CC[C@H](C)CC(=O)C 1458a_100000070787_100009816398 [0,0,0,0,2,0|2,0,0]=4 2851 B7R0.2 CC[C@H](C)CN(C)C 2230a_100102631434_100009816398 [0,0,0,0,2,0|2,0,0]=4 2852 B7R0.2 CC[C@H](C)CN(C)C 269982a_100102631434_100009816398 [0,0,0,0,2,0|2,0,0]=4 2853 B7R0.2 CNC(=O)C=C(C)C 11a_106832991635_100000211388 [0,0,0,0,2,0|1,0,1]=4 2854 B7R0.2 CNC(=O)C=C(C)C 1626a_100102657272_100000211388 [0,0,0,0,2,0|1,0,1]=4 2855 B7R0.2 CNC(=O)C=C(C)C 240690a_100102657272_100000211388 [0,0,0,0,2,0|1,0,1]=4 2856 B7R0.2 CNC(C)CC(C)C 2230a_100000692259_200000210301 [0,0,0,0,2,0|0,0,1]=3 2857 B7R0.2 CNC(C)CC(C)C 2230a_106832991635_100000731052 [0,0,0,0,2,0|0,0,1]=3 2858 B7R0.2 CNC(C)CC(C)C 34a_100102657272_100000731052 [0,0,0,0,2,0|0,0,1]=3 2859 B7R0.2 CNC(C)CC(C)C 7a_106832991635_100000731052 [0,0,0,0,2,0|0,0,1]=3 2860 B7R0.2 COC(C)C=C(C)C 34a_100000717055_200000210301 [0,0,0,0,2,0|1,0,0]=3 2861 B7R0.2 COC(C)CC(C)C 34a_100000211805_200000210301 [0,0,0,0,2,0|1,0,1]=4 2862 B7R0.2 COC(C)CC(C)C 34a_100138415774_100000731052 [0,0,0,0,2,0|1,0,1]=4 2863 B7R0.2 COC(C)CC(C)C 7a_100000211805_200000210301 [0,0,0,0,2,0|1,0,1]=4 2864 B7R0.2 CSC(C)CC(C)C 62a_100000731052_200000210301 [0,0,0,0,2,0|1,0,1]=4 2865 B7R0.2 CSC(C)CC(C)C 62a_200000210301_100000731052 [0,0,0,0,2,0|1,0,1]=4 2866 B7R0.2 CSC(C)CN(C)C 62a_100020606517_200000210301 [0,0,0,0,2,0|2,0,0]=4 2867 B7R0.2 CSC(C)CN(C)C 62a_200000210301_100020606517 [0,0,0,0,2,0|2,0,0]=4 2868 B11R0.111 C=CC(C)COCCC=C(C)C 34a_100011215527_100011217483 [0,0,0,0,0,2|1,0,1]=4 2869 B11R0.111 C=CC(C)COCCC=C(C)C 7a_100011215527_100011217483 [0,0,0,0,0,2|1,0,1]=4 2870 B11R0.111 CC(=CCCNCC(C)CO)C 34a_100000744482_100011217483 [0,0,0,0,0,2|2,0,0]=4 2871 B11R0.111 CC(=CCCOCC(C)CN)C 34a_100000744482_100011217483 [0,0,0,0,0,2|2,0,0]=4 2872 B11R0.111 CC(=CCCSC[C@@H](C)CO)C 62a_100000059175_100011217483 [0,0,0,0,0,2|2,0,0]=4 2873 B11R0.111 CC(=CCCSC[C@@H](C)CO)C 62a_100011217483_100000059175 [0,0,0,0,0,2|2,0,0]=4 2874 B11R0.111 CC(=CCNCCC(C)CO)C 2230a_106354213184_100000761012 [0,0,0,0,0,2|2,0,0]=4 2875 B11R0.111 CC(=CCNCCC(C)CO)C 34a_106354213184_100000761012 [0,0,0,0,0,2|2,0,0]=4 2876 B11R0.111 CCC(C)CCNCC=C(C)C 2230a_100020591266_100000761012 [0,0,0,0,0,2|1,0,0]=3 2877 B11R0.111 CCC(C)CCOCC=C(C)C 7a_100011215188_100000761012 [0,0,0,0,0,2|1,0,0]=3 2878 B11R0.111 CCC(C)CNCCC=C(C)C 2230a_100020588543_100011217483 [0,0,0,0,0,2|1,0,0]=3 2879 B11R0.111 CCC(C)CSCCC=C(C)C 62a_100000748023_100011217483 [0,0,0,0,0,2|1,0,0]=3 2880 B11R0.111 CCC(C)CSCCC=C(C)C 62a_100011217483_100000748023 [0,0,0,0,0,2|1,0,0]=3 2881 B11R0.111 CCC(O)CNCCC=C(C)C 2230a_100011218483_100011217483 [0,0,0,0,0,2|2,0,0]=4 2882 B11R0.111 CCC(O)CSCCC=C(C)C 62a_100011217483_100011218378 [0,0,0,0,0,2|2,0,0]=4 2883 B11R0.111 CCC(O)CSCCC=C(C)C 62a_100011218378_100011217483 [0,0,0,0,0,2|2,0,0]=4 2884 B11R0.111 CC[C@H](C)COCCC=C(C)C 7a_100009816381_100011217483 [0,0,0,0,0,2|1,0,0]=3 2885 B11R0.111 CC[C@H](C)CSCCC=C(C)C 62a_100009816398_100011217483 [0,0,0,0,0,2|1,0,0]=3 2886 B11R0.111 CC[C@H](C)CSCCC=C(C)C 62a_100011217483_100009816398 [0,0,0,0,0,2|1,0,0]=3 2887 B11R0.111 CNC(=O)CCNCC=C(C)C 2230a_100000738227_100000761012 [0,0,0,0,0,2|1,0,1]=4 2888 B11R0.111 CNC(=O)CCNCC=C(C)C 34a_100000718196_100012179268 [0,0,0,0,0,2|1,0,1]=4 2889 B11R0.111 CNC(=O)CCNCC=C(C)C 34a_100000738227_100000761012 [0,0,0,0,0,2|1,0,1]=4 2890 B11R0.111 CNC(=O)CCOCC=C(C)C 34a_100000753907_100012179268 [0,0,0,0,0,2|1,0,1]=4 2891 B11R0.111 CNC(=O)CCOCC=C(C)C 34a_100000754576_100000761012 [0,0,0,0,0,2|1,0,1]=4 2892 B11R0.111 CNC(=O)CCSCC=C(C)C 62a_100000737683_100000761012 [0,0,0,0,0,2|1,0,1]=4 2893 B11R0.111 CNC(=O)CCSCC=C(C)C 62a_100000761012_100000737683 [0,0,0,0,0,2|1,0,1]=4 2894 B11R0.111 CNC(=O)CNCCC=C(C)C 2230a_100000693194_100011217483 [0,0,0,0,0,2|1,0,1]=4 2895 B11R0.111 CNC(=O)COCCC=C(C)C 34a_100000750040_100011217483 [0,0,0,0,0,2|1,0,1]=4 2896 B11R0.111 CNC(=O)CSCCC=C(C)C 62a_100000183359_100011217483 [0,0,0,0,0,2|1,0,1]=4 2897 B11R0.111 CNC(=O)CSCCC=C(C)C 62a_100011217483_100000183359 [0,0,0,0,0,2|1,0,1]=4 2898 B11R0.111 COC(C)CCOCC=C(C)C 7a_100000764861_100000761012 [0,0,0,0,0,2|1,0,0]=3 2899 B11R0.111 COC(C)COCCC=C(C)C 34a_100000690652_100011217483 [0,0,0,0,0,2|1,0,0]=3 2900 B11R0.111 CO[C@H](C)CNCCC=C(C)C 2230a_100020591295_100011217483 [0,0,0,0,0,2|1,0,0]=3