0 B10R0.3 C#CCC(=O)CCC=C(C)C 1458a_100011220946_100011217483 [0,0,0,0,0,0|2,0,2]=4 1 B10R0.3 C#CCC(C)OCC=C(C)C 34a_100000685586_100000761012 [0,0,0,0,0,0|2,0,1]=3 2 B10R0.3 C#CCC(C)OCC=C(C)C 7a_100000685586_100000761012 [0,0,0,0,0,0|2,0,1]=3 3 B10R0.3 C#CCN(C)CCC=C(C)C 2230a_100000225692_100011217483 [0,0,0,0,0,0|2,0,1]=3 4 B10R0.3 C#CCN(C)CCC=C(C)C 34a_100000225692_100011217483 [0,0,0,0,0,0|2,0,1]=3 5 B10R0.3 C/C=C/C(C)OCC=C(C)C 34a_200102604097_100000761012 [0,0,0,0,0,0|2,0,1]=3 6 B10R0.3 C=CCC(=O)CCC=C(C)C 1458a_100000210193_100011217483 [0,0,0,0,0,0|2,0,1]=3 7 B10R0.3 C=CCC(=O)NCC=C(C)C 11a_100000718196_100000210193 [0,0,0,0,0,0|3,0,1]=4 8 B10R0.3 C=CCC(=O)NCC=C(C)C 1626a_100000718196_100000210193 [0,0,0,0,0,0|3,0,1]=4 9 B10R0.3 C=CCC(=O)NCC=C(C)C 527a_100000718196_100000210193 [0,0,0,0,0,0|3,0,1]=4 10 B10R0.3 C=CCC(C)COCC(=C)C 34a_100009832082_100000748629 [0,0,0,0,0,0|2,0,2]=4 11 B10R0.3 C=CCC(C)COCC(=C)C 7a_100009832082_100000748629 [0,0,0,0,0,0|2,0,2]=4 12 B10R0.3 C=CCC(C)COCC(C)C 34a_100009832082_100000210624 [0,0,0,0,0,0|2,0,2]=4 13 B10R0.3 C=CCC(C)COCC(C)C 7a_100009832082_100000210760 [0,0,0,0,0,0|2,0,2]=4 14 B10R0.3 C=CCN(C)CCC=C(C)C 2230a_100000225617_100011217483 [0,0,0,0,0,0|2,0,0]=2 15 B10R0.3 C=CCN(C)CCC=C(C)C 269982a_100000225617_100011217483 [0,0,0,0,0,0|2,0,0]=2 16 B10R0.3 C=CCN(C)CCC=C(F)F 2230a_100000225617_200009816681 [0,0,0,0,0,0|4,0,0]=4 17 B10R0.3 C=CCN(C)CCC=C(F)F 269982a_100000225617_200009816681 [0,0,0,0,0,0|4,0,0]=4 18 B10R0.3 C=CCN(C)CCCC(=O)C 269982a_100000225617_100011215641 [0,0,0,0,0,0|3,0,1]=4 19 B10R0.3 C=CCN(C)CCCC(C)C 2230a_100000225617_100011214892 [0,0,0,0,0,0|2,0,2]=4 20 B10R0.3 C=CCN(C)CCCC(C)C 269982a_100000225617_100011214892 [0,0,0,0,0,0|2,0,2]=4 21 B10R0.3 C=CCN(C)CCCN(C)C 269982a_100000225617_100000757444 [0,0,0,0,0,0|3,0,1]=4 22 B10R0.3 C=CCN(C)CCCN(C)C 269982a_100000225831_100000210623 [0,0,0,0,0,0|3,0,1]=4 23 B10R0.3 C=CCN(C)CCNC(=O)C 2230a_100000225617_100000189650 [0,0,0,0,0,0|4,0,0]=4 24 B10R0.3 C=CCN(C)CCNC(=O)C 269982a_100000225617_100000189650 [0,0,0,0,0,0|4,0,0]=4 25 B10R0.3 C=CCN(C)CCOC(=O)C 269982a_100000225617_100009814007 [0,0,0,0,0,0|4,0,0]=4 26 B10R0.3 C=CCN(C)CCOC(C)C 2230a_100000225617_100000211751 [0,0,0,0,0,0|3,0,1]=4 27 B10R0.3 C=CCN(C)CCOC(C)C 269982a_100000225617_100000211751 [0,0,0,0,0,0|3,0,1]=4 28 B10R0.3 C=CCN(C)CCSC(C)C 2230a_100000225617_100000730970 [0,0,0,0,0,0|3,0,1]=4 29 B10R0.3 C=CCN(C)CCSC(C)C 269982a_100000225617_100000730970 [0,0,0,0,0,0|3,0,1]=4 30 B10R0.3 C=CC[C@@H](C)OCC=C(C)C 34a_100000731007_100000761012 [0,0,0,0,0,0|2,0,0]=2 31 B10R0.3 C=CC[C@@H](C)OCC=C(C)C 7a_100000731007_100000761012 [0,0,0,0,0,0|2,0,0]=2 32 B10R0.3 C=CC[C@@H](C)OCCC(=C)C 34a_100000731007_100000730704 [0,0,0,0,0,0|2,0,2]=4 33 B10R0.3 C=CC[C@@H](C)OCCC(=C)C 7a_100000731007_100000730704 [0,0,0,0,0,0|2,0,2]=4 34 B10R0.3 C=CC[C@@H](C)OCCC(=O)C 7a_100000731007_100000053229 [0,0,0,0,0,0|3,0,1]=4 35 B10R0.3 C=CC[C@@H](C)OCCC(C)C 34a_100000731007_100000210312 [0,0,0,0,0,0|2,0,2]=4 36 B10R0.3 C=CC[C@@H](C)OCCC(C)C 7a_100000731007_100000210626 [0,0,0,0,0,0|2,0,2]=4 37 B10R0.3 C=CC[C@@H](C)OCCN(C)C 7a_100000731007_100000755713 [0,0,0,0,0,0|3,0,1]=4 38 B10R0.3 C=CC[C@@H](C)OCOC(=O)C 34a_100000731007_100009813279 [0,0,0,0,0,0|4,0,0]=4 39 B10R0.3 C=CC[C@@H](C)OCOC(C)C 34a_100000731007_100000709892 [0,0,0,0,0,0|3,0,1]=4 40 B10R0.3 CC#CC(C)OCC=C(C)C 34a_100011216543_100000761012 [0,0,0,0,0,0|2,0,2]=4 41 B10R0.3 CC(=CCCC(=O)C=CBr)C 1458a_100016273825_100011217483 [0,0,0,0,0,0|2,0,2]=4 42 B10R0.3 CC(=CCCC(=O)C=CCl)C 1458a_200016279998_100011217483 [0,0,0,0,0,0|2,0,2]=4 43 B10R0.3 CC(=CCCC(=O)C=CI)C 1458a_100016256311_100011217483 [0,0,0,0,0,0|2,0,2]=4 44 B10R0.3 CC(=CCCC(=O)CC#N)C 1458a_100051588842_100011217483 [0,0,0,0,0,0|2,0,2]=4 45 B10R0.3 CC(=CCCC(=O)CCO)C 1458a_100011216618_100011217483 [0,0,0,0,0,0|1,0,3]=4 46 B10R0.3 CC(=CCCC(C)OCF)C 34a_100102619829_100015361967 [0,0,0,0,0,0|2,0,1]=3 47 B10R0.3 CC(=CCCC(C)OCF)C 7a_100102619829_100015361967 [0,0,0,0,0,0|2,0,1]=3 48 B10R0.3 CC(=CCCN(C)CC#N)C 2230a_100000748184_100011217483 [0,0,0,0,0,0|2,0,1]=3 49 B10R0.3 CC(=CCCN(C)CCO)C 2230a_100000210263_100011217483 [0,0,0,0,0,0|1,0,2]=3 50 B10R0.3 CC(=CCCN(C)CCO)C 269982a_100000210263_100011217483 [0,0,0,0,0,0|1,0,2]=3 51 B10R0.3 CC(=CCNC(C)CCO)C 34a_100000718196_100009893172 [0,0,0,0,0,0|1,0,2]=3 52 B10R0.3 CC(=CCN[C@@H](C)CC#N)C 2230a_100016994482_100000761012 [0,0,0,0,0,0|2,0,1]=3 53 B10R0.3 CC(=CCN[C@H](C)CCO)C 2230a_100000706166_100000761012 [0,0,0,0,0,0|1,0,2]=3 54 B10R0.3 CC(=CCN[C@H](C)CCO)C 34a_100000706166_100000761012 [0,0,0,0,0,0|1,0,2]=3 55 B10R0.3 CC(=CCOC(C)CCBr)C 34a_100012276601_100000761012 [0,0,0,0,0,0|2,0,1]=3 56 B10R0.3 CC(=CCOC(C)CCO)C 34a_100000753907_100009893172 [0,0,0,0,0,0|1,0,2]=3 57 B10R0.3 CC(=CCSC(C)CC#N)C 62a_100000761012_100009813641 [0,0,0,0,0,0|2,0,1]=3 58 B10R0.3 CC(=CCSC(C)CC#N)C 62a_100009813641_100000761012 [0,0,0,0,0,0|2,0,1]=3 59 B10R0.3 CC(=CCSC(C)CCO)C 62a_100000761012_100009893172 [0,0,0,0,0,0|1,0,2]=3 60 B10R0.3 CC(=CCSC(C)CCO)C 62a_100009893172_100000761012 [0,0,0,0,0,0|1,0,2]=3 61 B10R0.3 CC=CC(=O)CCC=C(C)C 1458a_100000210699_100011217483 [0,0,0,0,0,0|2,0,2]=4 62 B10R0.3 CCCC(=O)CCC=C(C)C 1458a_100000211992_100011217483 [0,0,0,0,0,0|2,0,2]=4 63 B10R0.3 CCCC(C)CCOC(C)C 34a_100011217855_100000210206 [0,0,0,0,0,0|2,0,2]=4 64 B10R0.3 CCCC(C)CCOC(C)C 7a_100011217855_100000210206 [0,0,0,0,0,0|2,0,2]=4 65 B10R0.3 CCCC(C)NCC=C(C)C 2230a_100000741246_100000761012 [0,0,0,0,0,0|2,0,1]=3 66 B10R0.3 CCCC(C)NCC=C(C)C 270004a_100000718196_100000211909 [0,0,0,0,0,0|2,0,1]=3 67 B10R0.3 CCCC(C)NCC=C(C)C 34a_100000718196_100000766640 [0,0,0,0,0,0|2,0,1]=3 68 B10R0.3 CCCC(C)OCC=C(C)C 34a_100000753907_100000766640 [0,0,0,0,0,0|2,0,1]=3 69 B10R0.3 CCCC(C)OCC=C(C)C 34a_100000764384_100000761012 [0,0,0,0,0,0|2,0,1]=3 70 B10R0.3 CCCC(C)OCC=C(C)C 7a_100000764384_100000761012 [0,0,0,0,0,0|2,0,1]=3 71 B10R0.3 CCCC(C)SCC=C(C)C 62a_100000761012_100000766640 [0,0,0,0,0,0|2,0,1]=3 72 B10R0.3 CCCC(C)SCC=C(C)C 62a_100000766640_100000761012 [0,0,0,0,0,0|2,0,1]=3 73 B10R0.3 CCCN(C)CCC=C(C)C 2230a_100000747261_100011217483 [0,0,0,0,0,0|2,0,1]=3 74 B10R0.3 CCCN(C)CCC=C(C)C 269982a_100000747261_100011217483 [0,0,0,0,0,0|2,0,1]=3 75 B10R0.3 CCNC(C)CCC=C(C)C 270004a_100015525214_100000765506 [0,0,0,0,0,0|2,0,1]=3 76 B10R0.3 CCOC(C)CCC=C(C)C 34a_100102619829_100000210202 [0,0,0,0,0,0|2,0,1]=3 77 B10R0.3 CCOC(C)CCC=C(C)C 7a_100102619829_100000210202 [0,0,0,0,0,0|2,0,1]=3 78 B10R0.3 CN(C)CCCN(C)CC=O 269982a_100000225831_200015260668 [0,0,0,0,0,0|2,0,1]=3 79 B10R0.3 CN(CC=O)CCCC(=O)O 269956a_100000719178_200015260668 [0,0,0,0,0,0|3,0,1]=4 80 B10R0.3 CNCC(C)CCC=C(C)C 270004a_106832991635_100000033009 [0,0,0,0,0,0|2,0,0]=2 81 B10R0.3 COCC(=O)CCC=C(C)C 1458a_100000210968_100011217483 [0,0,0,0,0,0|3,0,1]=4 82 B10R0.3 COCC(C)NCC=C(C)C 270004a_100000718196_100000749346 [0,0,0,0,0,0|3,0,0]=3 83 B10R0.3 COCC(C)NCC=C(C)C 34a_100000718196_100000765312 [0,0,0,0,0,0|3,0,0]=3 84 B10R0.3 COCC(C)OCC=C(C)C 34a_100000753907_100000765312 [0,0,0,0,0,0|3,0,0]=3 85 B10R0.3 COCC(C)SCC=C(C)C 62a_100000761012_100000765312 [0,0,0,0,0,0|3,0,0]=3 86 B10R0.3 COCC(C)SCC=C(C)C 62a_100000765312_100000761012 [0,0,0,0,0,0|3,0,0]=3 87 B10R0.3 COC[C@@H](C)NCC=C(C)C 2230a_100000764878_100000761012 [0,0,0,0,0,0|3,0,0]=3 88 B10R0.3 COC[C@@H](C)OCC=C(C)C 34a_100011934205_100000761012 [0,0,0,0,0,0|3,0,0]=3 89 B10R0.3 CSCC(=O)CCC=C(C)C 1458a_100000184570_100011217483 [0,0,0,0,0,0|3,0,1]=4 90 B10R0.3 CSCC(C)NCC=C(C)C 270004a_100000718196_100011216314 [0,0,0,0,0,0|3,0,0]=3 91 B9R0.1 C#CC(C)NCC=C(C)C 2230a_100000707721_100000761012 [1,0,0,0,0,0|1,0,2]=4 92 B9R0.1 C#CC(C)NCC=C(C)C 34a_100000707721_100000761012 [1,0,0,0,0,0|1,0,2]=4 93 B9R0.1 C#CC(C)NCC=C(C)C 34a_100000718196_200000035995 [1,0,0,0,0,0|1,0,2]=4 94 B9R0.1 C#CC(C)OCC=C(C)C 34a_100000753907_200000035995 [1,0,0,0,0,0|1,0,2]=4 95 B9R0.1 C#CC(C)SCC=C(C)C 62a_200000035995_100000761012 [1,0,0,0,0,0|1,0,2]=4 96 B9R0.1 C#C[C@@H](C)OCC=C(C)C 34a_100009815206_100000761012 [1,0,0,0,0,0|1,0,2]=4 97 B9R0.1 C#C[C@@H](C)OCC=C(C)C 7a_100009815206_100000761012 [1,0,0,0,0,0|1,0,2]=4 98 B9R0.1 C=CC(=O)CCC=C(C)C 1458a_100000185746_100011217483 [1,0,0,0,0,0|1,0,2]=4 99 B9R0.1 C=CC(C)OCC=C(C)C 34a_100000695699_100000761012 [1,0,0,0,0,0|1,0,1]=3 100 B9R0.1 C=CC(C)SCC=C(C)C 62a_100011215867_100000761012 [1,0,0,0,0,0|1,0,1]=3 101 B9R0.1 CC(=CCCC(=O)CO)C 1458a_100000210174_100011217483 [1,0,0,0,0,0|1,0,2]=4 102 B9R0.1 CC(=CCCC(C)O[13CH3])C 34a_100102619829_200025704644 [1,0,0,0,0,0|1,0,1]=3 103 B9R0.1 CC(=CCCC(C)O[13CH3])C 7a_100102619829_200025704644 [1,0,0,0,0,0|1,0,1]=3 104 B9R0.1 CC(=CCNC(C)C#N)C 2230a_100000737613_100000761012 [1,0,0,0,0,0|2,0,1]=4 105 B9R0.1 CC(=CCNC(C)CO)C 34a_100000718196_100012180447 [1,0,0,0,0,0|1,0,1]=3 106 B9R0.1 CC(=CCN[C@H](C)CO)C 2230a_100000737577_100000761012 [1,0,0,0,0,0|1,0,1]=3 107 B9R0.1 CC(=CCOC(C)C#N)C 34a_100011218135_100000761012 [1,0,0,0,0,0|2,0,1]=4 108 B9R0.1 CC(=CCOC(C)CF)C 34a_100016041109_100000761012 [1,0,0,0,0,0|2,0,0]=3 109 B9R0.1 CC(=CCOC(C)CF)C 7a_100016041109_100000761012 [1,0,0,0,0,0|2,0,0]=3 110 B9R0.1 CC(=CCOC(C)CN)C 34a_100000210904_100000761012 [1,0,0,0,0,0|2,0,0]=3 111 B9R0.1 CC(=CCOC(C)CO)C 34a_100000753907_100012180447 [1,0,0,0,0,0|1,0,1]=3 112 B9R0.1 CC(=CCSC(C)C#N)C 62a_100000703298_100000761012 [1,0,0,0,0,0|2,0,1]=4 113 B9R0.1 CC(=CCSC(C)C#N)C 62a_100000761012_100000703298 [1,0,0,0,0,0|2,0,1]=4 114 B9R0.1 CC(=CCSC(C)CO)C 62a_100012180447_100000761012 [1,0,0,0,0,0|1,0,1]=3 115 B9R0.1 CC(=CCS[C@H](C)CO)C 62a_100000761012_100016084084 [1,0,0,0,0,0|1,0,1]=3 116 B9R0.1 CC(=CCS[C@H](C)CO)C 62a_100016084084_100000761012 [1,0,0,0,0,0|1,0,1]=3 117 B9R0.1 CC(=O)NCCC(C)CO 240690a_106354213184_100015343762 [1,0,0,0,0,0|2,0,1]=4 118 B9R0.1 CC(=O)NCCC(C)CO 527a_106354213184_100103153847 [1,0,0,0,0,0|2,0,1]=4 119 B9R0.1 CC(CO)CCNC(C)C 2230a_106354213184_100000210206 [1,0,0,0,0,0|1,0,2]=4 120 B9R0.1 CC(CO)CCNC(C)C 34a_106354213184_100000210206 [1,0,0,0,0,0|1,0,2]=4 121 B9R0.1 CCC(=O)CCC=C(C)C 1458a_100000210414_100011217483 [1,0,0,0,0,0|1,0,2]=4 122 B9R0.1 CCC(C)CCNC(=O)C 11a_100020591266_100015343762 [1,0,0,0,0,0|2,0,1]=4 123 B9R0.1 CCC(C)CCNC(=O)C 1626a_100020591266_100015343762 [1,0,0,0,0,0|2,0,1]=4 124 B9R0.1 CCC(C)CCNC(=O)C 240690a_100020591266_100015343762 [1,0,0,0,0,0|2,0,1]=4 125 B9R0.1 CCC(C)CCNC(=O)C 527a_100020591266_100103153847 [1,0,0,0,0,0|2,0,1]=4 126 B9R0.1 CCC(C)CCNC(C)C 2230a_100020591266_100000210206 [1,0,0,0,0,0|1,0,2]=4 127 B9R0.1 CCC(C)CCOC(C)C 7a_100011215188_100000210206 [1,0,0,0,0,0|1,0,2]=4 128 B9R0.1 CCC(C)NCC=C(C)C 2230a_100000209981_100000761012 [1,0,0,0,0,0|1,0,1]=3 129 B9R0.1 CCC(C)NCC=C(C)C 34a_100000718196_100011215416 [1,0,0,0,0,0|1,0,1]=3 130 B9R0.1 CCC(C)OCC=C(C)C 34a_100000753907_100011215416 [1,0,0,0,0,0|1,0,1]=3 131 B9R0.1 CCC(C)OCC=C(C)C 7a_100000210228_100000761012 [1,0,0,0,0,0|1,0,1]=3 132 B9R0.1 CCC(C)SCC=C(C)C 62a_100000758301_100000761012 [1,0,0,0,0,0|1,0,1]=3 133 B9R0.1 CCC(C)SCC=C(C)C 62a_100000761012_100000758301 [1,0,0,0,0,0|1,0,1]=3 134 B9R0.1 CCN(C)CCC=C(C)C 2230a_100000225621_100011217483 [1,0,0,0,0,0|1,0,1]=3 135 B9R0.1 CCN(C)CCC=C(C)C 269982a_100000225621_100011217483 [1,0,0,0,0,0|1,0,1]=3 136 B9R0.1 CNC(C)CCC=C(C)C 270004a_106832991635_100000765506 [1,0,0,0,0,0|1,0,1]=3 137 B9R0.1 COC(C)CCC=C(C)C 34a_100102619829_200000210301 [1,0,0,0,0,0|1,0,1]=3 138 B9R0.1 COC(C)CCC=C(C)C 7a_100102619829_200000210301 [1,0,0,0,0,0|1,0,1]=3 139 B9R0.1 COC(C)SCC=C(C)C 62a_100000761012_100009879195 [1,0,0,0,0,0|2,0,1]=4 140 B9R0.1 COC(C)SCC=C(C)C 62a_100009879195_100000761012 [1,0,0,0,0,0|2,0,1]=4 141 B9R0.2 C#CCCNCC=C(C)C 34a_100000718196_100000688953 [1,0,0,0,0,0|2,0,1]=4 142 B9R0.2 C#CCCNCC=C(C)C 34a_100000755551_100000761012 [1,0,0,0,0,0|2,0,1]=4 143 B9R0.2 C#CCCOCC=C(C)C 34a_100000753907_100000688953 [1,0,0,0,0,0|2,0,1]=4 144 B9R0.2 C#CCCOCC=C(C)C 34a_100011215631_100000761012 [1,0,0,0,0,0|2,0,1]=4 145 B9R0.2 C#CCCSCC=C(C)C 62a_100000688953_100000761012 [1,0,0,0,0,0|2,0,1]=4 146 B9R0.2 C#CCCSCC=C(C)C 62a_100000761012_100000688953 [1,0,0,0,0,0|2,0,1]=4 147 B9R0.2 C#CCNCCC=C(C)C 34a_100000212058_100011217483 [1,0,0,0,0,0|2,0,1]=4 148 B9R0.2 C#CCOCCC=C(C)C 34a_100000210247_100011217483 [1,0,0,0,0,0|2,0,1]=4 149 B9R0.2 C#CCSCCC=C(C)C 62a_100000038162_100011217483 [1,0,0,0,0,0|2,0,1]=4 150 B9R0.2 C/C=C/CNCC=C(C)C 34a_100000718196_100102629194 [1,0,0,0,0,0|2,0,1]=4 151 B9R0.2 C/C=C/COCC=C(C)C 34a_100000753907_100102629194 [1,0,0,0,0,0|2,0,1]=4 152 B9R0.2 C/C=C/COCC=C(C)C 34a_100016270725_100000761012 [1,0,0,0,0,0|2,0,1]=4 153 B9R0.2 C/C=C/CSCC=C(C)C 62a_100000761012_100102629194 [1,0,0,0,0,0|2,0,1]=4 154 B9R0.2 C/C=C/CSCC=C(C)C 62a_100102629194_100000761012 [1,0,0,0,0,0|2,0,1]=4 155 B9R0.2 C=C(C)CSCCCC=O 62a_100000748629_200011292268 [1,0,0,0,0,0|1,0,2]=4 156 B9R0.2 C=C(C)CSCCCC=O 62a_200011292268_100000211660 [1,0,0,0,0,0|1,0,2]=4 157 B9R0.2 C=CCCCCCC(=O)C 1458a_100000070787_100000700193 [1,0,0,0,0,0|2,0,1]=4 158 B9R0.2 C=CCCCCCC(=O)C 1458a_100011934241_200000210301 [1,0,0,0,0,0|2,0,1]=4 159 B9R0.2 C=CCCCCCC(=O)[13CH3] 1458a_100011934241_200025704644 [1,0,0,0,0,0|2,0,1]=4 160 B9R0.2 C=CCCCCCN(C)C 2230a_100102631434_100000700193 [1,0,0,0,0,0|2,0,1]=4 161 B9R0.2 C=CCCCCCN(C)C 269982a_100102631434_100000700193 [1,0,0,0,0,0|2,0,1]=4 162 B9R0.2 C=CCCCCNC(=O)C 11a_100000703577_100015343762 [1,0,0,0,0,0|3,0,0]=4 163 B9R0.2 C=CCCCCNC(=O)C 1626a_100000703577_100015343762 [1,0,0,0,0,0|3,0,0]=4 164 B9R0.2 C=CCCCCNC(=O)C 240690a_100000703577_100015343762 [1,0,0,0,0,0|3,0,0]=4 165 B9R0.2 C=CCCCCNC(=O)C 527a_100000703577_100103153847 [1,0,0,0,0,0|3,0,0]=4 166 B9R0.2 C=CCCCCNC(C)C 2230a_100000703577_100000210206 [1,0,0,0,0,0|2,0,1]=4 167 B9R0.2 C=CCCCCNC(C)C 2230a_100138425928_100011215482 [1,0,0,0,0,0|2,0,1]=4 168 B9R0.2 C=CCCCCNC(C)C 34a_100000703577_100000210206 [1,0,0,0,0,0|2,0,1]=4 169 B9R0.2 C=CCCCCNC(C)C 34a_100138425928_100011215482 [1,0,0,0,0,0|2,0,1]=4 170 B9R0.2 C=CCCCCOC(C)C 34a_100000212225_100011215482 [1,0,0,0,0,0|2,0,1]=4 171 B9R0.2 C=CCCCCOC(C)C 34a_100000766645_100000210206 [1,0,0,0,0,0|2,0,1]=4 172 B9R0.2 C=CCCCCOC(C)C 7a_100000766645_100000210206 [1,0,0,0,0,0|2,0,1]=4 173 B9R0.2 C=CCCCCSC(C)C 62a_100000210206_100011215482 [1,0,0,0,0,0|2,0,1]=4 174 B9R0.2 C=CCCCCSC(C)C 62a_100011215482_100000210206 [1,0,0,0,0,0|2,0,1]=4 175 B9R0.2 C=CCCNCC=C(C)C 2230a_100015191253_100000761012 [1,0,0,0,0,0|2,0,0]=3 176 B9R0.2 C=CCCNCC=C(C)C 34a_100000718196_100000754431 [1,0,0,0,0,0|2,0,0]=3 177 B9R0.2 C=CCCOCC=C(C)C 34a_100000753907_100000754431 [1,0,0,0,0,0|2,0,0]=3 178 B9R0.2 C=CCCOCC=C(C)C 34a_100011205117_100000761012 [1,0,0,0,0,0|2,0,0]=3 179 B9R0.2 C=CCCSCC=C(C)C 62a_100000754431_100000761012 [1,0,0,0,0,0|2,0,0]=3 180 B9R0.2 C=CCCSCC=C(C)C 62a_100000761012_100000754431 [1,0,0,0,0,0|2,0,0]=3 181 B9R0.2 C=CCNCCC=C(C)C 2230a_100020586998_100011217483 [1,0,0,0,0,0|2,0,0]=3 182 B9R0.2 C=CCOCCC=C(C)C 34a_200000210373_100011217483 [1,0,0,0,0,0|2,0,0]=3 183 B9R0.2 C=CCSCCC=C(C)C 62a_100000210623_100011217483 [1,0,0,0,0,0|2,0,0]=3 184 B9R0.2 C=CCSCCC=C(C)C 62a_100011217483_100000210623 [1,0,0,0,0,0|2,0,0]=3 185 B9R0.2 CC(=CCCNCCF)C 34a_100000724931_100011217483 [1,0,0,0,0,0|2,0,1]=4 186 B9R0.2 CC(=CCCNCCO)C 2230a_100016997473_100011217483 [1,0,0,0,0,0|1,0,2]=4 187 B9R0.2 CC(=CCCNCCO)C 34a_100016990907_100011217483 [1,0,0,0,0,0|1,0,2]=4 188 B9R0.2 CC(=CCCOCCBr)C 34a_100000211926_100011217483 [1,0,0,0,0,0|2,0,1]=4 189 B9R0.2 CC(=CCCOCCN)C 34a_100000210304_100011217483 [1,0,0,0,0,0|2,0,1]=4 190 B9R0.2 CC(=CCCSCC#N)C 62a_100011215382_100011217483 [1,0,0,0,0,0|2,0,1]=4 191 B9R0.2 CC(=CCCSCC#N)C 62a_100011217483_100011215382 [1,0,0,0,0,0|2,0,1]=4 192 B9R0.2 CC(=CCCSCC=O)C 62a_100011217483_200015260668 [1,0,0,0,0,0|1,0,0]=2 193 B9R0.2 CC(=CCCSCC=O)C 62a_200015260668_100011217483 [1,0,0,0,0,0|1,0,0]=2 194 B9R0.2 CC(=CCCSCCF)C 62a_100011217306_100011217483 [1,0,0,0,0,0|2,0,1]=4 195 B9R0.2 CC(=CCCSCCF)C 62a_100011217483_100011217306 [1,0,0,0,0,0|2,0,1]=4 196 B9R0.2 CC(=CCCSCCO)C 62a_100000211926_100011217483 [1,0,0,0,0,0|1,0,2]=4 197 B9R0.2 CC(=CCCSCCO)C 62a_100011217483_100000211926 [1,0,0,0,0,0|1,0,2]=4 198 B9R0.2 CC(=CCNCCCF)C 2230a_100015189416_100000761012 [1,0,0,0,0,0|2,0,1]=4 199 B9R0.2 CC(=CCNCCCF)C 34a_100000718196_100011934791 [1,0,0,0,0,0|2,0,1]=4 200 B9R0.2 CC(=CCNCCCF)C 34a_100015189416_100000761012 [1,0,0,0,0,0|2,0,1]=4 201 B9R0.2 CC(=CCNCCCO)C 34a_100000718196_100000230001 [1,0,0,0,0,0|1,0,2]=4 202 B9R0.2 CC(=CCOCCCBr)C 34a_100011217188_100000761012 [1,0,0,0,0,0|2,0,1]=4 203 B9R0.2 CC(=CCOCCCCl)C 34a_100000230001_100000761012 [1,0,0,0,0,0|2,0,1]=4 204 B9R0.2 CC(=CCOCCCF)C 34a_100000753907_100011934791 [1,0,0,0,0,0|2,0,1]=4 205 B9R0.2 CC(=CCOCCCF)C 34a_100000759539_100000761012 [1,0,0,0,0,0|2,0,1]=4 206 B9R0.2 CC(=CCOCCCN)C 34a_100000182051_100000761012 [1,0,0,0,0,0|2,0,1]=4 207 B9R0.2 CC(=CCOCCCO)C 34a_100000753907_100000230001 [1,0,0,0,0,0|1,0,2]=4 208 B9R0.2 CC(=CCOCCON)C 34a_100000700252_100000761012 [1,0,0,0,0,0|3,0,0]=4 209 B9R0.2 CC(=CCSCCC#N)C 62a_100000761012_100011215226 [1,0,0,0,0,0|2,0,1]=4 210 B9R0.2 CC(=CCSCCC#N)C 62a_100011215226_100000761012 [1,0,0,0,0,0|2,0,1]=4 211 B9R0.2 CC(=CCSCCCF)C 62a_100000761012_100011934791 [1,0,0,0,0,0|2,0,1]=4 212 B9R0.2 CC(=CCSCCCF)C 62a_100011934791_100000761012 [1,0,0,0,0,0|2,0,1]=4 213 B9R0.2 CC(=CCSCCCO)C 62a_100000761012_100011215043 [1,0,0,0,0,0|1,0,2]=4 214 B9R0.2 CC(=CCSCCCO)C 62a_100011215043_100000761012 [1,0,0,0,0,0|1,0,2]=4 215 B9R0.2 CC(=O)CCCOCC=O 34a_100000759063_200009817547 [1,0,0,0,0,0|2,0,1]=4 216 B9R0.2 CC(=O)CCCOCC=O 7a_100000759063_200015260668 [1,0,0,0,0,0|2,0,1]=4 217 B9R0.2 CC(=O)CCCSCC=O 62a_100011215641_200015260668 [1,0,0,0,0,0|2,0,1]=4 218 B9R0.2 CC(=O)CCCSCC=O 62a_200015260668_100011215641 [1,0,0,0,0,0|2,0,1]=4 219 B9R0.2 CC(=O)NCCNCC=O 2230a_100000209853_200015260668 [1,0,0,0,0,0|3,0,0]=4 220 B9R0.2 CC(=O)NCCOCC=O 34a_100000158858_200009817547 [1,0,0,0,0,0|3,0,0]=4 221 B9R0.2 CC(=O)NCCSCC=O 62a_100000189650_200015260668 [1,0,0,0,0,0|3,0,0]=4 222 B9R0.2 CC(=O)NCCSCC=O 62a_200015260668_100000189650 [1,0,0,0,0,0|3,0,0]=4 223 B9R0.2 CC(=O)OCCSCC=O 62a_100009814007_200015260668 [1,0,0,0,0,0|3,0,0]=4 224 B9R0.2 CC(=O)OCCSCC=O 62a_200015260668_100009814007 [1,0,0,0,0,0|3,0,0]=4 225 B9R0.2 CC(C)CCCNCC=O 2230a_200000737386_200015260668 [1,0,0,0,0,0|1,0,2]=4 226 B9R0.2 CC(C)CCCNCC=O 34a_200000737386_200009817547 [1,0,0,0,0,0|1,0,2]=4 227 B9R0.2 CC(C)CCCOCC=O 34a_100000210774_200009817547 [1,0,0,0,0,0|1,0,2]=4 228 B9R0.2 CC(C)CCCOCC=O 7a_100000210774_200015260668 [1,0,0,0,0,0|1,0,2]=4 229 B9R0.2 CC(C)CCCSCC=O 62a_100011214892_200015260668 [1,0,0,0,0,0|1,0,2]=4 230 B9R0.2 CC(C)CCCSCC=O 62a_200015260668_100011214892 [1,0,0,0,0,0|1,0,2]=4 231 B9R0.2 CC(C)CNCCCC=O 2230a_100000210953_200011292268 [1,0,0,0,0,0|1,0,2]=4 232 B9R0.2 CC(C)CSCCCC=O 62a_100000210624_200011292268 [1,0,0,0,0,0|1,0,2]=4 233 B9R0.2 CC(C)CSCCCC=O 62a_200011292268_100000210760 [1,0,0,0,0,0|1,0,2]=4 234 B9R0.2 CC(C)NCCCCC=O 2230a_100138425928_100000139335 [1,0,0,0,0,0|1,0,1]=3 235 B9R0.2 CC(C)NCCOCC=O 34a_100000224655_200009817547 [1,0,0,0,0,0|2,0,1]=4 236 B9R0.2 CC(C)OCCNCC=O 2230a_100000701111_200015260668 [1,0,0,0,0,0|2,0,1]=4 237 B9R0.2 CC(C)OCCNCC=O 34a_100000701111_200009817547 [1,0,0,0,0,0|2,0,1]=4 238 B9R0.2 CC(C)OCCOCC=O 34a_100000211219_200009817547 [1,0,0,0,0,0|2,0,1]=4 239 B9R0.2 CC(C)OCCOCC=O 7a_100000211219_200015260668 [1,0,0,0,0,0|2,0,1]=4 240 B9R0.2 CC(C)OCCSCC=O 62a_100000211751_200015260668 [1,0,0,0,0,0|2,0,1]=4 241 B9R0.2 CC(C)OCCSCC=O 62a_200015260668_100000211751 [1,0,0,0,0,0|2,0,1]=4 242 B9R0.2 CC(C)SCCCCC=O 62a_100000139335_100000210206 [1,0,0,0,0,0|1,0,1]=3 243 B9R0.2 CC(C)SCCCCC=O 62a_100000210206_100000139335 [1,0,0,0,0,0|1,0,1]=3 244 B9R0.2 CC(C)SCCNCC=O 2230a_100000731138_200015260668 [1,0,0,0,0,0|2,0,1]=4 245 B9R0.2 CC(C)SCCNCC=O 34a_100000731138_200009817547 [1,0,0,0,0,0|2,0,1]=4 246 B9R0.2 CC(C)SCCOCC=O 34a_200011212901_200009817547 [1,0,0,0,0,0|2,0,1]=4 247 B9R0.2 CC(C)SCCOCC=O 7a_200011212901_200015260668 [1,0,0,0,0,0|2,0,1]=4 248 B9R0.2 CC(C)SCCSCC=O 62a_100000730970_200015260668 [1,0,0,0,0,0|2,0,1]=4 249 B9R0.2 CC(C)SCCSCC=O 62a_200015260668_100000730970 [1,0,0,0,0,0|2,0,1]=4 250 B9R0.2 CC=CCNCC=C(C)C 34a_100000718196_100000070051 [1,0,0,0,0,0|2,0,1]=4 251 B9R0.2 CC=CCOCC=C(C)C 34a_100000753907_100000070051 [1,0,0,0,0,0|2,0,1]=4 252 B9R0.2 CC=CCSCC=C(C)C 62a_100000070051_100000761012 [1,0,0,0,0,0|2,0,1]=4 253 B9R0.2 CC=CCSCC=C(C)C 62a_100000761012_100000070051 [1,0,0,0,0,0|2,0,1]=4 254 B9R0.2 CCCCNCC=C(C)C 2230a_100000102301_100000761012 [1,0,0,0,0,0|2,0,1]=4 255 B9R0.2 CCCCNCC=C(C)C 34a_100000718196_100000210210 [1,0,0,0,0,0|2,0,1]=4 256 B9R0.2 CCCCNCC=C(C)C 7a_106832991798_100000761012 [1,0,0,0,0,0|2,0,1]=4 257 B9R0.2 CCCCOCC=C(C)C 34a_100000210227_100000761012 [1,0,0,0,0,0|2,0,1]=4 258 B9R0.2 CCCCOCC=C(C)C 34a_100000753907_100000210210 [1,0,0,0,0,0|2,0,1]=4 259 B9R0.2 CCCCOCC=C(C)C 7a_100000210227_100000761012 [1,0,0,0,0,0|2,0,1]=4 260 B9R0.2 CCCCSCC=C(C)C 62a_100000210211_100000761012 [1,0,0,0,0,0|2,0,1]=4 261 B9R0.2 CCCCSCC=C(C)C 62a_100000761012_100000210210 [1,0,0,0,0,0|2,0,1]=4 262 B9R0.2 CCCOCCC=C(C)C 34a_100000210258_100011217483 [1,0,0,0,0,0|2,0,1]=4 263 B9R0.2 CCCSCCC=C(C)C 62a_100000210303_100011217483 [1,0,0,0,0,0|2,0,1]=4 264 B9R0.2 CCCSCCC=C(C)C 62a_100011217483_100000210303 [1,0,0,0,0,0|2,0,1]=4 265 B9R0.2 CN(C)CCCCCC=O 2230a_100102631434_100000139337 [1,0,0,0,0,0|1,0,1]=3 266 B9R0.2 CN(C)CCCCCC=O 269982a_100102631434_100000139337 [1,0,0,0,0,0|1,0,1]=3 267 B9R0.2 CN(C)CCCSCC=O 62a_200015260668_100000757444 [1,0,0,0,0,0|2,0,1]=4 268 B9R0.2 COCCNCC=C(C)C 2230a_100000209980_100000761012 [1,0,0,0,0,0|3,0,0]=4 269 B9R0.2 COCCNCC=C(C)C 34a_100000718196_100011201679 [1,0,0,0,0,0|3,0,0]=4 270 B9R0.2 COCCOCC=C(C)C 34a_100000210237_100000761012 [1,0,0,0,0,0|3,0,0]=4 271 B9R0.2 COCCOCC=C(C)C 34a_100000753907_100011201679 [1,0,0,0,0,0|3,0,0]=4 272 B9R0.2 COCCSCC=C(C)C 62a_100000233755_100000761012 [1,0,0,0,0,0|3,0,0]=4 273 B9R0.2 COCCSCC=C(C)C 62a_100000761012_100000233755 [1,0,0,0,0,0|3,0,0]=4 274 B9R0.2 COCSCCC=C(C)C 62a_100000766300_100011217483 [1,0,0,0,0,0|3,0,0]=4 275 B9R0.2 COCSCCC=C(C)C 62a_100011217483_100000766300 [1,0,0,0,0,0|3,0,0]=4 276 B9R0.2 CSCCNCC=C(C)C 2230a_100020590264_100000761012 [1,0,0,0,0,0|3,0,0]=4 277 B9R0.2 CSCCNCC=C(C)C 34a_100000718196_100000212216 [1,0,0,0,0,0|3,0,0]=4 278 B9R0.2 CSCCOCC=C(C)C 34a_100000230434_100000761012 [1,0,0,0,0,0|3,0,0]=4 279 B9R0.2 CSCCOCC=C(C)C 34a_100000753907_100000212216 [1,0,0,0,0,0|3,0,0]=4 280 B9R0.2 CSCCOCC=C(C)C 7a_100000230434_100000761012 [1,0,0,0,0,0|3,0,0]=4 281 B9R0.2 CSCCSCC=C(C)C 62a_100000212216_100000761012 [1,0,0,0,0,0|3,0,0]=4 282 B9R0.2 CSCCSCC=C(C)C 62a_100000761012_100000751147 [1,0,0,0,0,0|3,0,0]=4 283 B9R0.2 CSCSCCC=C(C)C 62a_100011217483_100011218213 [1,0,0,0,0,0|3,0,0]=4 284 B9R0.2 CSCSCCC=C(C)C 62a_100011218213_100011217483 [1,0,0,0,0,0|3,0,0]=4 285 B9R0.2 O=CCSCCC=C(F)F 62a_200009816681_200015260668 [1,0,0,0,0,0|3,0,0]=4 286 B9R0.2 O=CCSCCC=C(F)F 62a_200015260668_200009816681 [1,0,0,0,0,0|3,0,0]=4 287 B9R0.5 C#CCC(C)OC/C=C/C 34a_100000685586_100102629194 [1,0,0,0,0,0|2,0,1]=4 288 B9R0.5 C#CCC(C)OC/C=C/C 7a_100000685586_100102629194 [1,0,0,0,0,0|2,0,1]=4 289 B9R0.5 C#CCC(C)OCC=CC 34a_100000685586_100000070051 [1,0,0,0,0,0|2,0,1]=4 290 B9R0.5 C#CCC(C)OCC=CC 7a_100000685586_100000070051 [1,0,0,0,0,0|2,0,1]=4 291 B9R0.5 C/C=C/CN[C@H](C)CCO 34a_100000706166_100102629194 [1,0,0,0,0,0|1,0,2]=4 292 B9R0.5 C/C=C/COC(C)/C=C/C 34a_200102604097_100102629194 [1,0,0,0,0,0|2,0,1]=4 293 B9R0.5 C/C=C/COC(C)CCBr 34a_100012276601_100102629194 [1,0,0,0,0,0|2,0,1]=4 294 B9R0.5 C/C=C/COC(C)CCC 34a_100000764384_100102629194 [1,0,0,0,0,0|2,0,1]=4 295 B9R0.5 C/C=C/COC(C)CCC 34a_100016270725_100000766640 [1,0,0,0,0,0|2,0,1]=4 296 B9R0.5 C/C=C/COC(C)CCC 7a_100000764384_100102629194 [1,0,0,0,0,0|2,0,1]=4 297 B9R0.5 C/C=C/COC(C)CCO 34a_100016270725_100009893172 [1,0,0,0,0,0|1,0,2]=4 298 B9R0.5 C/C=C/COC(C)COC 34a_100016270725_100000765312 [1,0,0,0,0,0|3,0,0]=4 299 B9R0.5 C/C=C/CO[C@H](C)COC 34a_100011934205_100102629194 [1,0,0,0,0,0|3,0,0]=4 300 B9R0.5 C/C=C/CSC(C)CC#N 62a_100009813641_100102629194 [1,0,0,0,0,0|2,0,1]=4 301 B9R0.5 C/C=C/CSC(C)CC#N 62a_100102629194_100009813641 [1,0,0,0,0,0|2,0,1]=4 302 B9R0.5 C/C=C/CSC(C)CCC 62a_100000766640_100102629194 [1,0,0,0,0,0|2,0,1]=4 303 B9R0.5 C/C=C/CSC(C)CCC 62a_100102629194_100000766640 [1,0,0,0,0,0|2,0,1]=4 304 B9R0.5 C/C=C/CSC(C)CCO 62a_100009893172_100102629194 [1,0,0,0,0,0|1,0,2]=4 305 B9R0.5 C/C=C/CSC(C)CCO 62a_100102629194_100009893172 [1,0,0,0,0,0|1,0,2]=4 306 B9R0.5 C/C=C/CSC(C)COC 62a_100000765312_100102629194 [1,0,0,0,0,0|3,0,0]=4 307 B9R0.5 C/C=C/CSC(C)COC 62a_100102629194_100000765312 [1,0,0,0,0,0|3,0,0]=4 308 B9R0.5 C=CC[C@@H](C)OC/C=C/C 34a_100000731007_100102629194 [1,0,0,0,0,0|2,0,0]=3 309 B9R0.5 C=CC[C@@H](C)OC/C=C/C 7a_100000731007_100102629194 [1,0,0,0,0,0|2,0,0]=3 310 B9R0.5 C=CC[C@@H](C)OCC=CC 34a_100000731007_100000070051 [1,0,0,0,0,0|2,0,0]=3 311 B9R0.5 C=CC[C@@H](C)OCC=CC 7a_100000731007_100000070051 [1,0,0,0,0,0|2,0,0]=3 312 B9R0.5 CC=CCNC(C)CCC 2230a_100000741246_100000070051 [1,0,0,0,0,0|2,0,1]=4 313 B9R0.5 CC=CCN[C@@H](C)CC#N 2230a_100016994482_100000070051 [1,0,0,0,0,0|2,0,1]=4 314 B9R0.5 CC=CCN[C@H](C)CCO 2230a_100000706166_100000070051 [1,0,0,0,0,0|1,0,2]=4 315 B9R0.5 CC=CCN[C@H](C)CCO 34a_100000706166_100000070051 [1,0,0,0,0,0|1,0,2]=4 316 B9R0.5 CC=CCN[C@H](C)COC 2230a_100000764878_100000070051 [1,0,0,0,0,0|3,0,0]=4 317 B9R0.5 CC=CCOC(C)/C=C/C 34a_200102604097_100000070051 [1,0,0,0,0,0|2,0,1]=4 318 B9R0.5 CC=CCOC(C)CCBr 34a_100012276601_100000070051 [1,0,0,0,0,0|2,0,1]=4 319 B9R0.5 CC=CCOC(C)CCC 34a_100000764384_100000070051 [1,0,0,0,0,0|2,0,1]=4 320 B9R0.5 CC=CCOC(C)CCC 7a_100000764384_100000070051 [1,0,0,0,0,0|2,0,1]=4 321 B9R0.5 CC=CCO[C@H](C)COC 34a_100011934205_100000070051 [1,0,0,0,0,0|3,0,0]=4 322 B9R0.5 CC=CCSC(C)CC#N 62a_100000070051_100009813641 [1,0,0,0,0,0|2,0,1]=4 323 B9R0.5 CC=CCSC(C)CC#N 62a_100009813641_100000070051 [1,0,0,0,0,0|2,0,1]=4 324 B9R0.5 CC=CCSC(C)CCC 62a_100000070051_100000766640 [1,0,0,0,0,0|2,0,1]=4 325 B9R0.5 CC=CCSC(C)CCC 62a_100000766640_100000070051 [1,0,0,0,0,0|2,0,1]=4 326 B9R0.5 CC=CCSC(C)CCO 62a_100000070051_100009893172 [1,0,0,0,0,0|1,0,2]=4 327 B9R0.5 CC=CCSC(C)CCO 62a_100009893172_100000070051 [1,0,0,0,0,0|1,0,2]=4 328 B9R0.5 CC=CCSC(C)COC 62a_100000070051_100000765312 [1,0,0,0,0,0|3,0,0]=4 329 B9R0.5 CC=CCSC(C)COC 62a_100000765312_100000070051 [1,0,0,0,0,0|3,0,0]=4 330 B9R0.5 CCCCCN(C)CC=O 2230a_100000223495_200015260668 [1,0,0,0,0,0|1,0,2]=4 331 B9R0.5 CCCCCN(C)CC=O 269982a_100000223495_200015260668 [1,0,0,0,0,0|1,0,2]=4 332 B9R0.5 COCCCN(C)CC=O 2230a_100000224831_200015260668 [1,0,0,0,0,0|2,0,1]=4 333 B9R0.5 COCCCN(C)CC=O 269982a_100000224831_200015260668 [1,0,0,0,0,0|2,0,1]=4 334 B11R0.1 CC(=CC(C)OC(C)CCO)C 34a_100000717055_100009893172 [0,1,0,0,0,0|1,0,2]=4 335 B11R0.1 CCCC(C)CC(=O)C=C(C)C 1458a_100000211388_100011216630 [0,1,0,0,0,0|1,0,2]=4 336 B11R0.1 CCCC(C)OC(C)C=C(C)C 34a_100000717055_100000766640 [0,1,0,0,0,0|2,0,1]=4 337 B11R0.1 COCC(C)OC(C)C=C(C)C 34a_100000717055_100000765312 [0,1,0,0,0,0|3,0,0]=4 338 B11R0.6 C=C(C)CN(C)CCC=C(C)C 2230a_100000225649_100011217483 [0,1,0,0,0,0|2,0,0]=3 339 B11R0.6 C=C(C)CN(C)CCC=C(C)C 269982a_100000225649_100011217483 [0,1,0,0,0,0|2,0,0]=3 340 B11R0.6 CC(=CCCC(=CC(=O)[13CH3])C)C 1458a_100016995320_200025704644 [0,1,0,0,0,0|0,0,2]=3 341 B11R0.6 CC(=CCCC(=O)CC(=O)N)C 1458a_100134613110_100011217483 [0,1,0,0,0,0|1,0,1]=3 342 B11R0.6 CC(=CCCC(C)CC(=O)[13CH3])C 1458a_100000043202_200025704644 [0,1,0,0,0,0|0,0,0]=1 343 B11R0.6 CC(=CCCC(C)CN(C)C)C 270004a_100102631434_100000033009 [0,1,0,0,0,0|2,0,0]=3 344 B11R0.6 CC(=CCCC(C)OC(C)C)C 34a_100102619829_100000210206 [0,1,0,0,0,0|2,0,1]=4 345 B11R0.6 CC(=CCCC(C)OC(C)C)C 7a_100102619829_100000210206 [0,1,0,0,0,0|2,0,1]=4 346 B11R0.6 CC(=CCCN(C)CC(=O)N)C 2230a_100000739694_100011217483 [0,1,0,0,0,0|1,0,0]=2 347 B11R0.6 CC(=CCCN(C)CC(=O)O)C 269956a_100000746989_100011217483 [0,1,0,0,0,0|1,0,0]=2 348 B11R0.6 CC(=CCCN(C)CC(C)C)C 2230a_100000747067_100011217483 [0,1,0,0,0,0|2,0,1]=4 349 B11R0.6 CC(=CCCN(C)CC(C)C)C 269982a_100000747067_100011217483 [0,1,0,0,0,0|2,0,1]=4 350 B11R0.6 CC(=CCCN(C)CC(C)O)C 2230a_100000227577_100011217483 [0,1,0,0,0,0|1,0,2]=4 351 B11R0.6 CC(=CCCN(C)CC(C)O)C 269982a_100000227577_100011217483 [0,1,0,0,0,0|1,0,2]=4 352 B11R0.6 CC(=CCNC(=O)CC(=O)N)C 527a_100000718196_100134613110 [0,1,0,0,0,0|2,0,1]=4 353 B11R0.6 CC(=CCNC(C)CC(C)C)C 2230a_100000692259_100000761012 [0,1,0,0,0,0|2,0,1]=4 354 B11R0.6 CC(=CCNC(C)CC(C)C)C 34a_100000718196_100000731052 [0,1,0,0,0,0|2,0,1]=4 355 B11R0.6 CC(=CCOC(C)C=C(C)C)C 34a_100000717055_100000761012 [0,1,0,0,0,0|2,0,1]=4 356 B11R0.6 CC(=CCOC(C)CC(C)C)C 34a_100000211805_100000761012 [0,1,0,0,0,0|2,0,1]=4 357 B11R0.6 CC(=CCOC(C)CC(C)C)C 34a_100000753907_100000731052 [0,1,0,0,0,0|2,0,1]=4 358 B11R0.6 CC(=CCOC(C)CC(C)C)C 7a_100000211805_100000761012 [0,1,0,0,0,0|2,0,1]=4 359 B11R0.6 CC(=CCSC(C)CC(C)C)C 62a_100000731052_100000761012 [0,1,0,0,0,0|2,0,1]=4 360 B11R0.6 CC(=CCSC(C)CC(C)C)C 62a_100000761012_100000731052 [0,1,0,0,0,0|2,0,1]=4 361 B11R0.6 CC(=CCSC(C)CN(C)C)C 62a_100000761012_100020606517 [0,1,0,0,0,0|3,0,0]=4 362 B11R0.6 CC(=CCSC(C)CN(C)C)C 62a_100020606517_100000761012 [0,1,0,0,0,0|3,0,0]=4 363 B11R0.6 CC(=O)C=C(C)CCC=C(C)C 1458a_100016995320_200000210301 [0,1,0,0,0,0|0,0,2]=3 364 B11R0.6 CC(=O)CC(C)CCC=C(C)C 1458a_100000043202_200000210301 [0,1,0,0,0,0|0,0,0]=1 365 B11R0.6 CC(=O)CCCN(C)CC(=O)O 269956a_100000746989_100011215641 [0,1,0,0,0,0|2,0,1]=4 366 B11R0.6 CC(=O)NC(C)CCCC(C)C 11a_100000210607_100015343762 [0,1,0,0,0,0|1,0,2]=4 367 B11R0.6 CC(=O)NC(C)CCCC(C)C 1626a_100000210607_100015343762 [0,1,0,0,0,0|1,0,2]=4 368 B11R0.6 CC(=O)NC(C)CCCC(C)C 240690a_100000210607_100015343762 [0,1,0,0,0,0|1,0,2]=4 369 B11R0.6 CC(=O)NC(C)CCCC(C)C 527a_100000210607_100103153847 [0,1,0,0,0,0|1,0,2]=4 370 B11R0.6 CC(=O)NCCN(C)CC(=O)N 2230a_100000739694_100000189650 [0,1,0,0,0,0|3,0,0]=4 371 B11R0.6 CC(=O)NCCN(C)CC(=O)O 269956a_100000746989_100000189650 [0,1,0,0,0,0|3,0,0]=4 372 B11R0.6 CC(=O)OC(C)SCC=C(C)C 62a_100000761012_100009818208 [0,1,0,0,0,0|2,0,0]=3 373 B11R0.6 CC(=O)OC(C)SCC=C(C)C 62a_100009818208_100000761012 [0,1,0,0,0,0|2,0,0]=3 374 B11R0.6 CC(=O)OCCN(C)CC(=O)O 269956a_100000746989_100009814007 [0,1,0,0,0,0|3,0,0]=4 375 B11R0.6 CC(C)CCCN(C)CC(=O)N 2230a_100000739694_100011214892 [0,1,0,0,0,0|1,0,2]=4 376 B11R0.6 CC(C)CCCN(C)CC(=O)O 269956a_100000746989_100011214892 [0,1,0,0,0,0|1,0,2]=4 377 B11R0.6 CC(C)OCCN(C)CC(=O)N 2230a_100000739694_100000211751 [0,1,0,0,0,0|2,0,1]=4 378 B11R0.6 CC(C)OCCN(C)CC(=O)O 269956a_100000746989_100000211751 [0,1,0,0,0,0|2,0,1]=4 379 B11R0.6 CC(C)SCCN(C)CC(=O)N 2230a_100000739694_100000730970 [0,1,0,0,0,0|2,0,1]=4 380 B11R0.6 CC(C)SCCN(C)CC(=O)O 269956a_100000746989_100000730970 [0,1,0,0,0,0|2,0,1]=4 381 B11R0.6 CN(C)CCCN(C)CC(=O)N 269982a_100000225831_100000187820 [0,1,0,0,0,0|2,0,1]=4 382 B11R0.6 CN(C)CCCN(C)CC(=O)O 269956a_100000746989_100000757444 [0,1,0,0,0,0|2,0,1]=4 383 B11R0.6 CN(C)CCCN(C)CC(=O)[O-] 269982a_100000225831_100020667443 [0,1,0,0,0,0|2,0,1]=4 384 B11R0.6 CN(CCC=C(F)F)CC(=O)N 2230a_100000739694_200009816681 [0,1,0,0,0,0|3,0,0]=4 385 B11R0.6 CN(CCC=C(F)F)CC(=O)O 269956a_100000746989_200009816681 [0,1,0,0,0,0|3,0,0]=4 386 B11R0.45 C#CCC(CC)OCC=C(C)C 34a_200011217983_100000761012 [0,1,0,0,0,0|2,0,1]=4 387 B11R0.45 C#CCC(CC)OCC=C(C)C 7a_200011217983_100000761012 [0,1,0,0,0,0|2,0,1]=4 388 B11R0.45 C#CCN(CC)CCC=C(C)C 2230a_100000744766_100011217483 [0,1,0,0,0,0|2,0,1]=4 389 B11R0.45 C#CCN(CC)CCC=C(C)C 269982a_100000744766_100011217483 [0,1,0,0,0,0|2,0,1]=4 390 B11R0.45 C=CCC(C=C)OCC=C(C)C 34a_100000038011_100000761012 [0,1,0,0,0,0|2,0,1]=4 391 B11R0.45 C=CCC(C=C)OCC=C(C)C 7a_100000038011_100000761012 [0,1,0,0,0,0|2,0,1]=4 392 B11R0.45 C=CC[C@H](CO)NCC=C(C)C 2230a_100020615467_100000761012 [0,1,0,0,0,0|2,0,0]=3 393 B11R0.45 CCC(COC)NCC=C(C)C 2230a_100000757820_100000761012 [0,1,0,0,0,0|3,0,0]=4 394 B11R0.45 CCC(COC)NCC=C(C)C 270004a_100000718196_100000757811 [0,1,0,0,0,0|3,0,0]=4 395 B11R0.45 CCC(COC)OCC=C(C)C 7a_200011214946_100000761012 [0,1,0,0,0,0|3,0,0]=4 396 B11R0.45 CCCC(CC)NCC=C(C)C 2230a_100000747048_100000761012 [0,1,0,0,0,0|2,0,1]=4 397 B11R0.45 CCCC(CC)NCC=C(C)C 270004a_100000718196_100000687865 [0,1,0,0,0,0|2,0,1]=4 398 B11R0.45 CCCC(CC)OCC=C(C)C 34a_100000687864_100000761012 [0,1,0,0,0,0|2,0,1]=4 399 B11R0.45 CCCC(CC)OCC=C(C)C 7a_100000687864_100000761012 [0,1,0,0,0,0|2,0,1]=4 400 B11R0.45 CCCC(CC)SCC=C(C)C 62a_100000761012_100011219200 [0,1,0,0,0,0|2,0,1]=4 401 B11R0.45 CCCC(CC)SCC=C(C)C 62a_100011219200_100000761012 [0,1,0,0,0,0|2,0,1]=4 402 B11R0.45 CCCN(CC)CCC=C(C)C 2230a_100000226822_100011217483 [0,1,0,0,0,0|2,0,1]=4 403 B11R0.45 CCCN(CC)CCC=C(C)C 269982a_100000226822_100011217483 [0,1,0,0,0,0|2,0,1]=4 404 B11R0.45 CCC[C@@H](CO)NCC=C(C)C 2230a_100000732646_100000761012 [0,1,0,0,0,0|2,0,1]=4 405 B11R0.45 CCC[C@@H](CO)NCC=C(C)C 34a_100000732646_100000761012 [0,1,0,0,0,0|2,0,1]=4 406 B11R0.45 CCN(CC=O)CCCN(C)C 269982a_100000225837_200015260668 [0,1,0,0,0,0|2,0,1]=4 407 B11R0.45 CCN(CCO)CCC=C(C)C 2230a_100000210973_100011217483 [0,1,0,0,0,0|1,0,2]=4 408 B11R0.45 CCN(CCO)CCC=C(C)C 269982a_100000210973_100011217483 [0,1,0,0,0,0|1,0,2]=4 409 B11R0.45 CC[C@H](CC#N)NCC=C(C)C 2230a_200009818565_100000761012 [0,1,0,0,0,0|2,0,1]=4 410 B11R0.45 COCC(CCl)OCC=C(C)C 34a_100011215053_100000761012 [0,1,0,0,0,0|3,0,0]=4 411 B11R0.45 COCC(CN)OCC=C(C)C 34a_100000756049_100000761012 [0,1,0,0,0,0|3,0,0]=4 412 B11R0.45 COCC(CO)NCC=C(C)C 2230a_100000724102_100000761012 [0,1,0,0,0,0|3,0,0]=4 413 B11R0.45 COCC(CO)NCC=C(C)C 34a_100000724102_100000761012 [0,1,0,0,0,0|3,0,0]=4 414 B11R0.59 C=CCC(C)C(=O)CC=C(C)C 1458a_100011216819_100000761012 [0,1,0,0,0,0|1,0,1]=3 415 B11R0.59 C=CCN(C)C(=O)CC=C(C)C 11a_100000225617_100011220947 [0,1,0,0,0,0|2,0,1]=4 416 B11R0.59 C=CCN(C)C(=O)CC=C(C)C 1626a_100000225617_100011220947 [0,1,0,0,0,0|2,0,1]=4 417 B11R0.59 C=CCN(C)C(=O)CC=C(C)C 240690a_100000225617_100011220947 [0,1,0,0,0,0|2,0,1]=4 418 B11R0.59 C=CCN(C)C(=O)CC=C(C)C 527a_100000225617_100011220947 [0,1,0,0,0,0|2,0,1]=4 419 B11R0.59 CC(=CCC(=O)C(C)CC#N)C 1458a_100011220947_100009813641 [0,1,0,0,0,0|1,0,2]=4 420 B11R0.59 CC(=CCC(=O)C(C)CCO)C 1458a_100011220947_100009893172 [0,1,0,0,0,0|0,0,3]=4 421 B11R0.59 CC(=CCN(C)C(C)CCO)C 2230a_100000731037_100000761012 [0,1,0,0,0,0|1,0,2]=4 422 B11R0.59 CC(=CCN(C)C(C)CCO)C 269982a_100000731037_100000761012 [0,1,0,0,0,0|1,0,2]=4 423 B11R0.59 CCCC(C)C(=O)CC=C(C)C 1458a_100000210906_100000761012 [0,1,0,0,0,0|1,0,2]=4 424 B11R0.59 CCCC(C)C(=O)CC=C(C)C 1458a_100011220947_100000766640 [0,1,0,0,0,0|1,0,2]=4 425 B11R0.59 COCC(C)C(=O)CC=C(C)C 1458a_100000751857_100000761012 [0,1,0,0,0,0|2,0,1]=4 426 B11R0.59 COCC(C)C(=O)CC=C(C)C 1458a_100011220947_100000765312 [0,1,0,0,0,0|2,0,1]=4 427 B11R0.59 CSCC(C)C(=O)CC=C(C)C 1458a_100000753918_100000761012 [0,1,0,0,0,0|2,0,1]=4 428 B11R0.104 C=CCC(C)(C)OCC=C(C)C 7a_100011995686_100000761012 [0,1,0,0,0,0|2,0,0]=3 429 B11R0.104 CC(=CCOC(C)(C)CCBr)C 7a_100000702414_100000761012 [0,1,0,0,0,0|2,0,1]=4 430 B11R0.104 CCCC(C)(C)OCC=C(C)C 7a_100000748436_100000761012 [0,1,0,0,0,0|2,0,1]=4 431 B11R0.104 COCC(C)(C)NCC=C(C)C 2230a_100000752728_100000761012 [0,1,0,0,0,0|3,0,0]=4 432 B11R0.104 CSCC(C)(C)NCC=C(C)C 2230a_100000759623_100000761012 [0,1,0,0,0,0|3,0,0]=4 433 B11R0.104 CSCC(C)(C)NCC=C(C)C 7a_100000759623_100000761012 [0,1,0,0,0,0|3,0,0]=4 434 B11R0.141 C=CCN(C)CCC(=O)N(C)C 2230a_100000225617_100000737620 [0,1,0,0,0,0|3,0,0]=4 435 B11R0.141 C=CCN(C)CCC(=O)N(C)C 269982a_100000225617_100000737620 [0,1,0,0,0,0|3,0,0]=4 436 B11R0.141 C=CC[C@@H](C)OCC(=O)C(=O)C 34a_100000731007_100011261029 [0,1,0,0,0,0|3,0,0]=4 437 B11R0.141 C=CC[C@@H](C)OCC(=O)C(C)C 34a_100000731007_100000753385 [0,1,0,0,0,0|2,0,1]=4 438 B11R0.141 C=CC[C@@H](C)OCC(=O)C(C)C 7a_100000731007_100000753385 [0,1,0,0,0,0|2,0,1]=4 439 B11R0.141 C=CC[C@@H](C)OCC(=O)N(C)C 34a_100000731007_100000692301 [0,1,0,0,0,0|3,0,0]=4 440 B11R0.141 C=CC[C@@H](C)OCC(=O)N(C)C 7a_100000731007_100000692301 [0,1,0,0,0,0|3,0,0]=4 441 B11R0.145 C=CC(C)C(=O)CCC=C(C)C 1458a_100011216780_100011217483 [0,1,0,0,0,0|2,0,1]=4 442 B11R0.145 C=C[C@@H](C)[C@@H](C)OCC=C(C)C 34a_100015455354_100000761012 [0,1,0,0,0,0|2,0,0]=3 443 B11R0.145 C=C[C@@H](C)[C@@H](C)OCC=C(C)C 7a_100015455354_100000761012 [0,1,0,0,0,0|2,0,0]=3 444 B11R0.145 CC(=CCCN(C)C(C)CO)C 2230a_100000693034_100011217483 [0,1,0,0,0,0|1,0,2]=4 445 B11R0.145 CC(=CCCN(C)C(C)CO)C 269982a_100000693034_100011217483 [0,1,0,0,0,0|1,0,2]=4 446 B11R0.145 CCC(C)C(C)NCC=C(C)C 270004a_100000718196_100000210599 [0,1,0,0,0,0|2,0,1]=4 447 B11R0.145 CCC(C)C(C)OCC=C(C)C 7a_100011215189_100000761012 [0,1,0,0,0,0|2,0,1]=4 448 B11R0.145 CCC(C)N(C)CCC=C(C)C 2230a_100000741768_100011217483 [0,1,0,0,0,0|2,0,1]=4 449 B11R0.145 CCC(C)N(C)CCC=C(C)C 269982a_100000741768_100011217483 [0,1,0,0,0,0|2,0,1]=4 450 B11R0.147 C#CCOC(C)CCC=C(C)C 34a_100102619829_100000184674 [0,1,0,0,0,0|1,0,1]=3 451 B11R0.147 C#CCOC(C)CCC=C(C)C 7a_100102619829_100000038162 [0,1,0,0,0,0|1,0,1]=3 452 B11R0.147 C=CCCC(=O)CCC=C(C)C 1458a_100000749702_100011217483 [0,1,0,0,0,0|2,0,1]=4 453 B11R0.147 C=CCCC(C)NCC=C(C)C 270004a_100000718196_100000762624 [0,1,0,0,0,0|2,0,0]=3 454 B11R0.147 C=CCCC(C)OCC=C(C)C 34a_100000765329_100000761012 [0,1,0,0,0,0|2,0,0]=3 455 B11R0.147 C=CCCC(C)OCC=C(C)C 7a_100000765329_100000761012 [0,1,0,0,0,0|2,0,0]=3 456 B11R0.147 C=CCCN(C)CCC=C(C)C 2230a_100020639649_100011217483 [0,1,0,0,0,0|2,0,0]=3 457 B11R0.147 C=CCCN(C)CCC=C(C)C 269982a_100020639649_100011217483 [0,1,0,0,0,0|2,0,0]=3 458 B11R0.147 C=CCNC(C)CCC=C(C)C 270004a_100020586998_100000765506 [0,1,0,0,0,0|1,0,0]=2 459 B11R0.147 C=CCNC(C)CCCC(C)C 2230a_100000210607_100000210623 [0,1,0,0,0,0|1,0,2]=4 460 B11R0.147 C=CCNC(C)CCCC(C)C 270004a_100020586998_100000753411 [0,1,0,0,0,0|1,0,2]=4 461 B11R0.147 C=CCNC(C)CCOC(C)C 270004a_100020586998_200011219172 [0,1,0,0,0,0|2,0,1]=4 462 B11R0.147 C=CCOC(C)CCC=C(C)C 34a_100102619829_100015514636 [0,1,0,0,0,0|1,0,0]=2 463 B11R0.147 C=CCOC(C)CCC=C(C)C 7a_100102619829_100015514636 [0,1,0,0,0,0|1,0,0]=2 464 B11R0.147 C=CCOC(C)CCCC(C)C 34a_200011218570_100015514636 [0,1,0,0,0,0|1,0,2]=4 465 B11R0.147 C=CCOC(C)CCCC(C)C 7a_200011218570_100015514636 [0,1,0,0,0,0|1,0,2]=4 466 B11R0.147 CC(=CCC/C(=C/CN[13CH3])/C)C 2230a_200020676162_200025704644 [0,1,0,0,0,0|2,0,1]=4 467 B11R0.147 CC(=CCC/C(=C/CN[13CH3])/C)C 34a_200020676162_200025704644 [0,1,0,0,0,0|2,0,1]=4 468 B11R0.147 CC(=CCC/C(=C/CS[13CH3])/C)C 62a_100016991246_200025704644 [0,1,0,0,0,0|2,0,1]=4 469 B11R0.147 CC(=CCC/C(=C/CS[13CH3])/C)C 62a_200025704644_100016991246 [0,1,0,0,0,0|2,0,1]=4 470 B11R0.147 CC(=CCC/C(=C\CO[13CH3])/C)C 34a_100016990311_200025704644 [0,1,0,0,0,0|2,0,1]=4 471 B11R0.147 CC(=CCC/C(=C\CO[13CH3])/C)C 7a_100016990311_200025704644 [0,1,0,0,0,0|2,0,1]=4 472 B11R0.147 CC(=CCCC(C)CCO[13CH3])C 34a_100000017536_200025704644 [0,1,0,0,0,0|0,0,2]=3 473 B11R0.147 CC(=CCCC(C)CCO[13CH3])C 7a_100000017536_200025704644 [0,1,0,0,0,0|0,0,2]=3 474 B11R0.147 CC(=CCCC(C)CCS[13CH3])C 62a_100009814015_200025704644 [0,1,0,0,0,0|0,1,1]=3 475 B11R0.147 CC(=CCCC(C)CCS[13CH3])C 62a_200025704644_100009814015 [0,1,0,0,0,0|0,1,1]=3 476 B11R0.147 CC(=CCCC(C)NCCO)C 270004a_100000210304_100000765506 [0,1,0,0,0,0|0,0,2]=3 477 B11R0.147 CC(=CCCC(C)OCC#N)C 7a_100102619829_100011215382 [0,1,0,0,0,0|1,0,1]=3 478 B11R0.147 CC(=CCCC(C)OCC=O)C 34a_100102619829_200009817547 [0,1,0,0,0,0|0,0,0]=1 479 B11R0.147 CC(=CCCC(C)OCC=O)C 7a_100102619829_200015260668 [0,1,0,0,0,0|0,0,0]=1 480 B11R0.147 CC(=CCCC(C)OCCF)C 34a_100102619829_100011217306 [0,1,0,0,0,0|1,0,1]=3 481 B11R0.147 CC(=CCCC(C)OCCF)C 7a_100102619829_100011217306 [0,1,0,0,0,0|1,0,1]=3 482 B11R0.147 CC(=CCCC(C)OCCO)C 34a_100102619829_100000211926 [0,1,0,0,0,0|0,0,2]=3 483 B11R0.147 CC(=CCCC(C)OCCO)C 7a_100102619829_100000211926 [0,1,0,0,0,0|0,0,2]=3 484 B11R0.147 CC(=CCCN(C)CCC#N)C 2230a_100000184479_100011217483 [0,1,0,0,0,0|2,0,1]=4 485 B11R0.147 CC(=CCCN(C)CCCO)C 2230a_100000213112_100011217483 [0,1,0,0,0,0|1,0,2]=4 486 B11R0.147 CC(=CCCN(C)CCCO)C 269982a_100000213112_100011217483 [0,1,0,0,0,0|1,0,2]=4 487 B11R0.147 CC(=CCOC(C)CCCCl)C 34a_200000718107_100000761012 [0,1,0,0,0,0|2,0,1]=4 488 B11R0.147 CC(=CCOC(C)CCCCl)C 7a_200000718107_100000761012 [0,1,0,0,0,0|2,0,1]=4 489 B11R0.147 CC(C)CCCC(C)NCC=O 2230a_100000210607_200015260668 [0,1,0,0,0,0|0,0,2]=3 490 B11R0.147 CC(C)CCCC(C)OCC=O 34a_200011218570_200009817547 [0,1,0,0,0,0|0,0,2]=3 491 B11R0.147 CC(C)CCCC(C)OCC=O 7a_200011218570_200015260668 [0,1,0,0,0,0|0,0,2]=3 492 B11R0.147 CC(CCCC(=O)[O-])OCC=O 7a_100000761597_200015260668 [0,1,0,0,0,0|2,0,1]=4 493 B11R0.147 CC=CCC(=O)CCC=C(C)C 1458a_100121576822_100011217483 [0,1,0,0,0,0|2,0,1]=4 494 B11R0.147 CCCCC(C)NCC=C(C)C 2230a_100000126638_100000761012 [0,1,0,0,0,0|2,0,1]=4 495 B11R0.147 CCCCC(C)NCC=C(C)C 270004a_100000718196_100000210087 [0,1,0,0,0,0|2,0,1]=4 496 B11R0.147 CCCCC(C)NCC=C(C)C 34a_100000718196_200011215066 [0,1,0,0,0,0|2,0,1]=4 497 B11R0.147 CCCCC(C)OCC=C(C)C 34a_100000687866_100000761012 [0,1,0,0,0,0|2,0,1]=4 498 B11R0.147 CCCCC(C)OCC=C(C)C 34a_100000753907_200011215066 [0,1,0,0,0,0|2,0,1]=4 499 B11R0.147 CCCCC(C)OCC=C(C)C 7a_100000687866_100000761012 [0,1,0,0,0,0|2,0,1]=4 500 B11R0.147 CCCCC(C)SCC=C(C)C 62a_100000761012_200011215066 [0,1,0,0,0,0|2,0,1]=4 501 B11R0.147 CCCCC(C)SCC=C(C)C 62a_200011215066_100000761012 [0,1,0,0,0,0|2,0,1]=4 502 B11R0.147 CCCCN(C)CCC=C(C)C 2230a_100000207549_100011217483 [0,1,0,0,0,0|2,0,1]=4 503 B11R0.147 CCCCN(C)CCC=C(C)C 269982a_100000207549_100011217483 [0,1,0,0,0,0|2,0,1]=4 504 B11R0.147 CCCNC(C)CCC=C(C)C 270004a_100020643023_100000765506 [0,1,0,0,0,0|1,0,1]=3 505 B11R0.147 CCCOC(C)CCC=C(C)C 34a_100102619829_100000210303 [0,1,0,0,0,0|1,0,1]=3 506 B11R0.147 CCCOC(C)CCC=C(C)C 7a_100102619829_100000210303 [0,1,0,0,0,0|1,0,1]=3 507 B11R0.147 CCNCC(C)CCC=C(C)C 270004a_100015525214_100000033009 [0,1,0,0,0,0|1,0,1]=3 508 B11R0.147 CCOCC(C)OCC=C(C)C 34a_100000718985_100000761012 [0,1,0,0,0,0|2,0,1]=4 509 B11R0.147 CCOCC(C)OCC=C(C)C 7a_100000718985_100000761012 [0,1,0,0,0,0|2,0,1]=4 510 B11R0.147 CCSCC(C)NCC=C(C)C 270004a_100000718196_200011216171 [0,1,0,0,0,0|2,0,1]=4 511 B11R0.147 CNC/C=C(\C)/CCC=C(C)C 2230a_106832991635_100016991246 [0,1,0,0,0,0|2,0,1]=4 512 B11R0.147 CNC/C=C(\C)/CCC=C(C)C 2230a_200020676162_200000210301 [0,1,0,0,0,0|2,0,1]=4 513 B11R0.147 CNC/C=C(\C)/CCC=C(C)C 34a_100102657272_100016991246 [0,1,0,0,0,0|2,0,1]=4 514 B11R0.147 CNC/C=C(\C)/CCC=C(C)C 34a_200020676162_200000210301 [0,1,0,0,0,0|2,0,1]=4 515 B11R0.147 CNC/C=C(\C)/CCC=C(C)C 7a_106832991635_100016991246 [0,1,0,0,0,0|2,0,1]=4 516 B11R0.147 CNCCC(C)CCC=C(C)C 2230a_106832991635_100009814015 [0,1,0,0,0,0|1,0,1]=3 517 B11R0.147 CNCCC(C)CCC=C(C)C 269862a_106832991636_100000212096 [0,1,0,0,0,0|1,0,1]=3 518 B11R0.147 CNCCC(C)CCC=C(C)C 270004a_106832991635_100000212096 [0,1,0,0,0,0|1,0,1]=3 519 B11R0.147 CNCCC(C)CCC=C(C)C 34a_100102657272_100009814015 [0,1,0,0,0,0|1,0,1]=3 520 B11R0.147 CNCCC(C)CCC=C(C)C 7a_106832991635_100009814015 [0,1,0,0,0,0|1,0,1]=3 521 B11R0.147 COC/C=C(/C)\CCC=C(C)C 34a_100016990311_200000210301 [0,1,0,0,0,0|2,0,1]=4 522 B11R0.147 COC/C=C(/C)\CCC=C(C)C 7a_100016990311_200000210301 [0,1,0,0,0,0|2,0,1]=4 523 B11R0.147 COC/C=C(\C)/CCC=C(C)C 34a_100138415774_100016991246 [0,1,0,0,0,0|2,0,1]=4 524 B11R0.147 COCCC(C)CCC=C(C)C 34a_100000017536_200000210301 [0,1,0,0,0,0|0,0,2]=3 525 B11R0.147 COCCC(C)CCC=C(C)C 34a_100138415774_100009814015 [0,1,0,0,0,0|0,0,2]=3 526 B11R0.147 COCCC(C)CCC=C(C)C 7a_100000017536_200000210301 [0,1,0,0,0,0|0,0,2]=3 527 B11R0.147 COCCC(C)NCC=C(C)C 270004a_100000718196_100000742357 [0,1,0,0,0,0|1,0,2]=4 528 B11R0.147 COCCN(C)CCC=C(C)C 2230a_100000743101_100011217483 [0,1,0,0,0,0|1,0,2]=4 529 B11R0.147 COCCN(C)CCC=C(C)C 269982a_100000743101_100011217483 [0,1,0,0,0,0|1,0,2]=4 530 B11R0.147 CSC/C=C(\C)/CCC=C(C)C 62a_100016991246_200000210301 [0,1,0,0,0,0|2,0,1]=4 531 B11R0.147 CSC/C=C(\C)/CCC=C(C)C 62a_200000210301_100016991246 [0,1,0,0,0,0|2,0,1]=4 532 B11R0.147 CSCCC(C)CCC=C(C)C 62a_100009814015_200000210301 [0,1,0,0,0,0|0,1,1]=3 533 B11R0.147 CSCCC(C)CCC=C(C)C 62a_200000210301_100009814015 [0,1,0,0,0,0|0,1,1]=3 534 B11R0.147 CSCCC(C)NCC=C(C)C 270004a_100000718196_100011217047 [0,1,0,0,0,0|1,1,1]=4 535 B11R0.147 CSCCN(C)CCC=C(C)C 2230a_100000686725_100011217483 [0,1,0,0,0,0|1,1,1]=4 536 B11R0.147 CSCCN(C)CCC=C(C)C 269982a_100000686725_100011217483 [0,1,0,0,0,0|1,1,1]=4 537 B11R0.147 CSCOC(C)CCC=C(C)C 34a_100102619829_100011218213 [0,1,0,0,0,0|2,0,0]=3 538 B11R0.174 COC(=O)CCCN(C)CC=O 269982a_100000739225_200015260668 [0,1,0,0,0,0|2,0,1]=4 539 B11R0.180 CN(CC=O)CCOC(C)(C)C 2230a_100000690421_200015260668 [0,1,0,0,0,0|2,0,1]=4 540 B11R0.180 CN(CC=O)CCOC(C)(C)C 269982a_100000690421_200015260668 [0,1,0,0,0,0|2,0,1]=4 541 B11R1.15 CN1CCC(C1)N(C)CC=O 2230a_103436538152_200015260668 [0,0,0,1,0,0|2,0,1]=4 542 B11R1.15 CN1CCC(C1)N(C)CC=O 269982a_103436538152_200015260668 [0,0,0,1,0,0|2,0,1]=4 543 B11R1.90 CC(=CCN1CCC[C@@H]1C)C 2230a_100020605311_100000761012 [0,0,0,1,0,0|2,0,1]=4 544 B11R1.90 CC(=CCN1CCC[C@@H]1C)C 269982a_100020605311_100000761012 [0,0,0,1,0,0|2,0,1]=4 545 B11R1.90 CC(=CCN1CCC[C@H]1C)C 2230a_100015189458_100000761012 [0,0,0,1,0,0|2,0,1]=4 546 B11R1.90 CC(=CCN1CCC[C@H]1C)C 269982a_100015189458_100000761012 [0,0,0,1,0,0|2,0,1]=4 547 B11R1.90 CC(=CCN1CCC[C@H]1C)C 34a_100015189458_100000761012 [0,0,0,1,0,0|2,0,1]=4 548 B11R1.120 CC(=O)OC1CN(C1)CC=O 269982a_100016994906_200015260668 [0,0,0,1,0,0|3,0,0]=4 549 B11R1.120 CC(C)CC1CN(C1)CC=O 2230a_214813039686_200015260668 [0,0,0,1,0,0|1,0,2]=4 550 B11R1.120 CC(C)CC1CN(C1)CC=O 269982a_214813039686_200015260668 [0,0,0,1,0,0|1,0,2]=4 551 B11R1.120 CC(C)CC1CN(C1)CC=O 34a_214813039686_200009817547 [0,0,0,1,0,0|1,0,2]=4 552 B11R1.120 CC(C)OC1CN(C1)CC=O 2230a_100000698322_200015260668 [0,0,0,1,0,0|2,0,1]=4 553 B11R1.120 CC(C)OC1CN(C1)CC=O 269982a_100000698322_200015260668 [0,0,0,1,0,0|2,0,1]=4 554 B11R1.120 CC(C)OC1CN(C1)CC=O 34a_100000698322_200009817547 [0,0,0,1,0,0|2,0,1]=4 555 B11R1.120 CN(C)CC1CN(C1)CC=O 269982a_100015199603_200015260668 [0,0,0,1,0,0|2,0,1]=4 556 B11R1.124 CN(C)[C@H]1CCN(C1)CC=O 2230a_100016988096_200015260668 [0,0,0,1,0,0|2,0,1]=4 557 B11R1.124 CN(C)[C@H]1CCN(C1)CC=O 269982a_100016988096_200015260668 [0,0,0,1,0,0|2,0,1]=4 558 B11R1.135 CC1CCCN(CC1)CC=O 2230a_100025706717_200015260668 [0,0,0,1,0,0|1,0,2]=4 559 B11R1.135 CC1CCCN(CC1)CC=O 269982a_100025706717_200015260668 [0,0,0,1,0,0|1,0,2]=4 560 B11R1.135 CC1CCCN(CC1)CC=O 34a_100025706717_200009817547 [0,0,0,1,0,0|1,0,2]=4 561 B11R1.135 CN1CCCN(CC1)CC=O 2230a_100000211313_200015260668 [0,0,0,1,0,0|2,0,1]=4 562 B11R1.135 CN1CCCN(CC1)CC=O 269982a_100000211313_200015260668 [0,0,0,1,0,0|2,0,1]=4 563 B11R1.135 O=CCN1CCNC(=O)CC1 2230a_100000698595_200015260668 [0,0,0,1,0,0|3,0,0]=4 564 B11R1.135 O=CCN1CCNC(=O)CC1 269982a_100000698595_200015260668 [0,0,0,1,0,0|3,0,0]=4 565 B11R1.154 C=C(C)CCSC1CC(=O)C1 62a_100009894365_100000730704 [0,0,0,1,0,0|1,0,2]=4 566 B11R1.154 C=C(C)COCC1CC(=O)C1 34a_100000101936_100000748629 [0,0,0,1,0,0|1,0,2]=4 567 B11R1.154 C=C(C)CSCC1CC(=O)C1 62a_100000748629_100009874392 [0,0,0,1,0,0|1,0,2]=4 568 B11R1.154 C=C(C)CSCC1CC(=O)C1 62a_100009874392_100000211660 [0,0,0,1,0,0|1,0,2]=4 569 B11R1.154 C=C1CC(C1)NCC=C(C)C 2230a_100132301982_100000761012 [0,0,0,1,0,0|2,0,0]=3 570 B11R1.154 CC(=CCCN1CC(C1)C)C 2230a_100000702820_100011217483 [0,0,0,1,0,0|2,0,1]=4 571 B11R1.154 CC(=CCCN1CC(C1)C)C 269982a_100000702820_100011217483 [0,0,0,1,0,0|2,0,1]=4 572 B11R1.154 CC(=CCCN1CC(C1)C)C 34a_100000702820_100011217483 [0,0,0,1,0,0|2,0,1]=4 573 B11R1.154 CC(=CCCN1CC(C1)F)C 2230a_100000690557_100011217483 [0,0,0,1,0,0|2,0,1]=4 574 B11R1.154 CC(=CCCN1CC(C1)F)C 269982a_100000690557_100011217483 [0,0,0,1,0,0|2,0,1]=4 575 B11R1.154 CC(=CCCN1CC(C1)F)C 34a_100000690557_100011217483 [0,0,0,1,0,0|2,0,1]=4 576 B11R1.154 CC(=CCCN1CC(C1)O)C 269982a_100000749847_100011217483 [0,0,0,1,0,0|1,0,2]=4 577 B11R1.154 CC(=CCNC1CC(C1)F)C 2230a_100016993743_100000761012 [0,0,0,1,0,0|2,0,1]=4 578 B11R1.154 CC(=CCN[C@H]1C[C@@H](C1)O)C 2230a_100020629032_100000761012 [0,0,0,1,0,0|1,0,2]=4 579 B11R1.154 CC(=CCSC1CC(=O)C1)C 62a_100009894365_100000761012 [0,0,0,1,0,0|1,0,0]=2 580 B11R1.154 CC(=O)CCSC1CC(=O)C1 62a_100009894365_100000053229 [0,0,0,1,0,0|2,0,1]=4 581 B11R1.154 CC(=O)OCSC1CC(=O)C1 62a_100009894365_100000076356 [0,0,0,1,0,0|3,0,0]=4 582 B11R1.154 CC(C)CCSC1CC(=O)C1 62a_100009894365_100000210312 [0,0,0,1,0,0|1,0,2]=4 583 B11R1.154 CC(C)CNCC1CC(=O)C1 2230a_100000210953_100009874392 [0,0,0,1,0,0|1,0,2]=4 584 B11R1.154 CC(C)COCC1CC(=O)C1 34a_100000101936_100000210624 [0,0,0,1,0,0|1,0,2]=4 585 B11R1.154 CC(C)CSCC1CC(=O)C1 62a_100000210624_100009874392 [0,0,0,1,0,0|1,0,2]=4 586 B11R1.154 CC(C)CSCC1CC(=O)C1 62a_100009874392_100000210760 [0,0,0,1,0,0|1,0,2]=4 587 B11R1.154 CC(C)OCSC1CC(=O)C1 62a_100009894365_100000709892 [0,0,0,1,0,0|2,0,1]=4 588 B11R1.154 CN(C)CCSC1CC(=O)C1 62a_100009894365_100000755713 [0,0,0,1,0,0|2,0,1]=4 589 B11R1.166 CC(C)N1CCN(CC1=O)C 2230a_100000698735_200000210301 [0,0,0,1,0,0|2,0,1]=4 590 B11R1.166 CC(C)N1CCN(CC1=O)C 269982a_100000698735_200000210301 [0,0,0,1,0,0|2,0,1]=4 591 B11R1.166 CC(C)N1CCN(CC1=O)C 34a_100000698735_200000210301 [0,0,0,1,0,0|2,0,1]=4 592 B11R1.166 CC(C)N1CCN(CC1=O)[13CH3] 2230a_100000698735_200025704644 [0,0,0,1,0,0|2,0,1]=4 593 B11R1.166 CC(C)N1CCN(CC1=O)[13CH3] 269982a_100000698735_200025704644 [0,0,0,1,0,0|2,0,1]=4 594 B11R1.166 CC(C)N1CCN(CC1=O)[13CH3] 34a_100000698735_200025704644 [0,0,0,1,0,0|2,0,1]=4 595 B11R1.172 CC(=CCCN1CC=CC1)C 269982a_100015195280_100011217483 [0,0,0,1,0,0|2,0,0]=3 596 B11R1.172 CC(=CCCN1CCCC1)C 2230a_100000188435_100011217483 [0,0,0,1,0,0|2,0,1]=4 597 B11R1.172 CC(=CCCN1CCCC1)C 269982a_100000188435_100011217483 [0,0,0,1,0,0|2,0,1]=4 598 B11R1.172 CC(=CCCN1CCSC1)C 2230a_100011215254_100011217483 [0,0,0,1,0,0|1,1,1]=4 599 B11R1.172 CC(=CCCN1CCSC1)C 269982a_100011215254_100011217483 [0,0,0,1,0,0|1,1,1]=4 600 B11R1.172 CC(=CCNC1CC=CC1)C 2230a_100015188752_100000761012 [0,0,0,1,0,0|2,0,0]=3 601 B11R1.172 CC(=CCNC1CCCC1)C 2230a_100000211070_100000761012 [0,0,0,1,0,0|2,0,1]=4 602 B11R1.172 CC(=CCNC1CCCC1)C 270004a_100000718196_100000210133 [0,0,0,1,0,0|2,0,1]=4 603 B11R1.172 CC(=CCNC1CCCC1)C 34a_100000211070_100000761012 [0,0,0,1,0,0|2,0,1]=4 604 B11R1.172 CC(=CCNC1CCCC1)C 34a_100000718196_100000179811 [0,0,0,1,0,0|2,0,1]=4 605 B11R1.172 CC(=CCNC1CCOC1)C 270004a_100000718196_100000752484 [0,0,0,1,0,0|1,0,2]=4 606 B11R1.172 CC(=CCNC1CCOC1)C 34a_100000718196_100000690089 [0,0,0,1,0,0|1,0,2]=4 607 B11R1.172 CC(=CCNC1CCSC1)C 270004a_100000718196_100000212027 [0,0,0,1,0,0|1,1,1]=4 608 B11R1.172 CC(=CCN[C@@H]1CCOC1)C 2230a_200015188469_100000761012 [0,0,0,1,0,0|1,0,2]=4 609 B11R1.172 CC(=CCN[C@H]1CCOC1)C 2230a_100015188467_100000761012 [0,0,0,1,0,0|1,0,2]=4 610 B11R1.172 CC(=CCN[C@H]1CCOC1)C 34a_100015188467_100000761012 [0,0,0,1,0,0|1,0,2]=4 611 B11R1.172 CC(=CCOC1CCCC1)C 34a_100000210269_100000761012 [0,0,0,1,0,0|2,0,1]=4 612 B11R1.172 CC(=CCOC1CCCC1)C 34a_100000753907_100000179811 [0,0,0,1,0,0|2,0,1]=4 613 B11R1.172 CC(=CCOC1CCCC1)C 7a_100000210269_100000761012 [0,0,0,1,0,0|2,0,1]=4 614 B11R1.172 CC(=CCOC1CCOC1)C 34a_100000753907_100000690089 [0,0,0,1,0,0|1,0,2]=4 615 B11R1.172 CC(=CCOC1CCSC1)C 7a_100011232664_100000761012 [0,0,0,1,0,0|1,1,1]=4 616 B11R1.172 CC(=CCO[C@H]1CCOC1)C 34a_100000717292_100000761012 [0,0,0,1,0,0|1,0,2]=4 617 B11R1.172 CC(=CCSC1CCCC1)C 62a_100000761012_100000179811 [0,0,0,1,0,0|2,0,1]=4 618 B11R1.172 CC(=CCSC1CCCC1)C 62a_100011217020_100000761012 [0,0,0,1,0,0|2,0,1]=4 619 B11R1.172 CC(=CCSC1CCOC1)C 62a_100000761012_100000690089 [0,0,0,1,0,0|1,0,2]=4 620 B11R1.342 CC1(CCCN(C1)CC=O)C 2230a_100000716857_200015260668 [0,0,0,1,0,0|1,0,2]=4 621 B11R1.342 CC1(CCCN(C1)CC=O)C 269982a_100000716857_200015260668 [0,0,0,1,0,0|1,0,2]=4 622 B11R1.342 CC1(CCCN(C1)CC=O)C 34a_100000716857_200009817547 [0,0,0,1,0,0|1,0,2]=4 623 B11R1.342 CC1(CN(CCO1)CC=O)C 2230a_100000738910_200015260668 [0,0,0,1,0,0|2,0,1]=4 624 B11R1.342 CC1(CN(CCO1)CC=O)C 269982a_100000738910_200015260668 [0,0,0,1,0,0|2,0,1]=4 625 B11R1.342 CC1(CN(CCO1)CC=O)C 34a_100000738910_200009817547 [0,0,0,1,0,0|2,0,1]=4 626 B11R1.645 CC(C)NC1CC(OC1=O)C 2230a_100138425928_200000216747 [0,0,0,1,0,0|2,0,1]=4 627 B11R1.645 CC(C)NC1CC(OC1=O)C 34a_100138425928_200000216747 [0,0,0,1,0,0|2,0,1]=4 628 B11R1.645 CC(C)OC1CC(OC1=O)C 34a_100000212225_200000216747 [0,0,0,1,0,0|2,0,1]=4 629 B11R1.645 CC1CC(C(=O)O1)SC(C)C 62a_100000210206_200000216747 [0,0,0,1,0,0|2,0,1]=4 630 B11R1.645 CC1CC(C(=O)O1)SC(C)C 62a_200000216747_100000210206 [0,0,0,1,0,0|2,0,1]=4 631 B11R1.720 CC(=CCCN(C)C1CC1)C 2230a_100000226674_100011217483 [0,0,0,1,0,0|2,0,1]=4 632 B11R1.720 CC(=CCCN(C)C1CC1)C 269982a_100000226674_100011217483 [0,0,0,1,0,0|2,0,1]=4 633 B11R1.720 CC(=CCNC(C)C1CC1)C 2230a_100000700016_100000761012 [0,0,0,1,0,0|2,0,1]=4 634 B11R1.720 CC(=CCNC(C)C1CC1)C 34a_100000700016_100000761012 [0,0,0,1,0,0|2,0,1]=4 635 B11R1.720 CC(=CCNC(C)C1CO1)C 270004a_100000718196_100000031964 [0,0,0,1,0,0|1,0,2]=4 636 B11R1.720 CC(=CCOC(C)C1CC1)C 34a_100000744524_100000761012 [0,0,0,1,0,0|2,0,1]=4 637 B11R1.720 CC(=CCOC(C)C1CC1)C 7a_100000744524_100000761012 [0,0,0,1,0,0|2,0,1]=4 638 B11R1.924 CC(=CCNC1(CCC1)C)C 2230a_100000692455_100000761012 [0,0,0,1,0,0|2,0,1]=4 639 B11R1.924 CC(=CCNC1(CCC1)C)C 34a_100000692455_100000761012 [0,0,0,1,0,0|2,0,1]=4 640 B11R1.924 CC(=CCNC1(COC1)C)C 2230a_100000732644_100000761012 [0,0,0,1,0,0|3,0,0]=4 641 B11R1.924 CC(=CCOC1(CCC1)C)C 34a_100000759064_100000761012 [0,0,0,1,0,0|2,0,1]=4 642 B11R1.924 CC(=CCOC1(CCC1)C)C 7a_100000759064_100000761012 [0,0,0,1,0,0|2,0,1]=4 643 B11R1.924 CC(=CCOC1(CSC1)C)C 7a_100016018533_100000761012 [0,0,0,1,0,0|3,0,0]=4 644 B9R0.48 C#CCN(C)CC=C(C)C 2230a_100000225692_100000761012 [0,0,0,0,1,0|2,0,1]=4 645 B9R0.48 C#CCN(C)CC=C(C)C 34a_100000225692_100000761012 [0,0,0,0,1,0|2,0,1]=4 646 B9R0.48 C=CCC(=O)CC=C(C)C 1458a_100000210193_100000761012 [0,0,0,0,1,0|2,0,1]=4 647 B9R0.48 C=CCC(=O)CC=C(C)C 1458a_100011220947_100000210623 [0,0,0,0,1,0|2,0,1]=4 648 B9R0.48 C=CCC(C)COC(C)C 34a_100009832082_100000210206 [0,0,0,0,1,0|2,0,1]=4 649 B9R0.48 C=CCC(C)COC(C)C 7a_100009832082_100000210206 [0,0,0,0,1,0|2,0,1]=4 650 B9R0.48 C=CCN(C)C/C=C(/C)\Cl 2230a_100020603554_200000210301 [0,0,0,0,1,0|3,0,0]=4 651 B9R0.48 C=CCN(C)C/C=C(/C)\Cl 269982a_100020603554_200000210301 [0,0,0,0,1,0|3,0,0]=4 652 B9R0.48 C=CCN(C)CC=C(C)C 2230a_100000225617_100000761012 [0,0,0,0,1,0|2,0,0]=3 653 B9R0.48 C=CCN(C)CC=C(C)C 269982a_100000225617_100000761012 [0,0,0,0,1,0|2,0,0]=3 654 B9R0.48 C=CCN(C)CCC(=C)C 2230a_100000225617_100000730704 [0,0,0,0,1,0|2,0,1]=4 655 B9R0.48 C=CCN(C)CCC(=C)C 269982a_100000225617_100000730704 [0,0,0,0,1,0|2,0,1]=4 656 B9R0.48 C=CCN(C)CCC(=O)C 269982a_100000225617_100000053229 [0,0,0,0,1,0|3,0,0]=4 657 B9R0.48 C=CCN(C)CCC(C)C 2230a_100000225617_100000210312 [0,0,0,0,1,0|2,0,1]=4 658 B9R0.48 C=CCN(C)CCC(C)C 2230a_100000742789_100000210623 [0,0,0,0,1,0|2,0,1]=4 659 B9R0.48 C=CCN(C)CCC(C)C 269982a_100000225617_100000210312 [0,0,0,0,1,0|2,0,1]=4 660 B9R0.48 C=CCN(C)CCC(C)C 269982a_100000742789_100000210623 [0,0,0,0,1,0|2,0,1]=4 661 B9R0.48 C=CCN(C)CCN(C)C 269982a_100000225617_100000755713 [0,0,0,0,1,0|3,0,0]=4 662 B9R0.48 C=CCN(C)CCN(C)C 269982a_100000225618_100000210623 [0,0,0,0,1,0|3,0,0]=4 663 B9R0.48 C=CCN([13CH3])C/C=C(/C)\Cl 2230a_100020603554_200025704644 [0,0,0,0,1,0|3,0,0]=4 664 B9R0.48 C=CCN([13CH3])C/C=C(/C)\Cl 269982a_100020603554_200025704644 [0,0,0,0,1,0|3,0,0]=4 665 B9R0.48 C=CC[C@@H](C)OCC(=C)C 34a_100000731007_100000748629 [0,0,0,0,1,0|2,0,1]=4 666 B9R0.48 C=CC[C@@H](C)OCC(=C)C 7a_100000731007_100000748629 [0,0,0,0,1,0|2,0,1]=4 667 B9R0.48 C=CC[C@@H](C)OCC(C)C 34a_100000731007_100000210624 [0,0,0,0,1,0|2,0,1]=4 668 B9R0.48 C=CC[C@@H](C)OCC(C)C 7a_100000731007_100000210760 [0,0,0,0,1,0|2,0,1]=4 669 B9R0.48 CC(=CCN(C)CC#N)C 2230a_100000748184_100000761012 [0,0,0,0,1,0|2,0,1]=4 670 B9R0.48 CC(=CCN(C)CCO)C 2230a_100000210263_100000761012 [0,0,0,0,1,0|1,0,2]=4 671 B9R0.48 CC(=CCN(C)CCO)C 269982a_100000210263_100000761012 [0,0,0,0,1,0|1,0,2]=4 672 B9R0.48 CC(C)CCN(C)CC=O 2230a_100000742789_200015260668 [0,0,0,0,1,0|1,0,1]=3 673 B9R0.48 CC(C)CCN(C)CC=O 269982a_100000742789_200015260668 [0,0,0,0,1,0|1,0,1]=3 674 B9R0.48 CCCN(C)CC=C(C)C 2230a_100000747261_100000761012 [0,0,0,0,1,0|2,0,1]=4 675 B9R0.48 CCCN(C)CC=C(C)C 269982a_100000747261_100000761012 [0,0,0,0,1,0|2,0,1]=4 676 B9R0.48 CN(C)CCN(C)CC=O 269982a_100000225618_200015260668 [0,0,0,0,1,0|2,0,0]=3 677 B9R0.48 CN(CC=O)CCC(=O)N 2230a_100000730477_200015260668 [0,0,0,0,1,0|3,0,0]=4 678 B11R0.176 C#CCC(C)OCCC=C(C)C 34a_100000685586_100011217483 [0,0,0,0,0,1|1,0,1]=3 679 B11R0.176 C#CCC(C)OCCC=C(C)C 7a_100000685586_100011217483 [0,0,0,0,0,1|1,0,1]=3 680 B11R0.176 C/C=C/C(C)OCCC=C(C)C 34a_200102604097_100011217483 [0,0,0,0,0,1|1,0,1]=3 681 B11R0.176 C=CCC(C)COCC=C(C)C 34a_100009832082_100000761012 [0,0,0,0,0,1|1,0,0]=2 682 B11R0.176 C=CCC(C)COCC=C(C)C 7a_100009832082_100000761012 [0,0,0,0,0,1|1,0,0]=2 683 B11R0.176 C=CCC(C)COCCC(=C)C 34a_100009832082_100000730704 [0,0,0,0,0,1|1,0,2]=4 684 B11R0.176 C=CCC(C)COCCC(=C)C 7a_100009832082_100000730704 [0,0,0,0,0,1|1,0,2]=4 685 B11R0.176 C=CCC(C)COCCC(=O)C 7a_100009832082_100000053229 [0,0,0,0,0,1|2,0,1]=4 686 B11R0.176 C=CCC(C)COCCC(C)C 34a_100009832082_100000210312 [0,0,0,0,0,1|1,0,2]=4 687 B11R0.176 C=CCC(C)COCCC(C)C 7a_100009832082_100000210626 [0,0,0,0,0,1|1,0,2]=4 688 B11R0.176 C=CCC(C)COCCN(C)C 7a_100009832082_100000755713 [0,0,0,0,0,1|2,0,1]=4 689 B11R0.176 C=CCC(C)COCOC(=O)C 34a_100009832082_100009813279 [0,0,0,0,0,1|3,0,0]=4 690 B11R0.176 C=CCC(C)COCOC(C)C 34a_100009832082_100000709892 [0,0,0,0,0,1|2,0,1]=4 691 B11R0.176 C=CC[C@@H](C)OCCC=C(C)C 34a_100000731007_100011217483 [0,0,0,0,0,1|1,0,0]=2 692 B11R0.176 C=CC[C@@H](C)OCCC=C(C)C 7a_100000731007_100011217483 [0,0,0,0,0,1|1,0,0]=2 693 B11R0.176 C=CC[C@@H](C)OCCC=C(F)F 34a_100000731007_200009816681 [0,0,0,0,0,1|3,0,0]=4 694 B11R0.176 C=CC[C@@H](C)OCCC=C(F)F 7a_100000731007_200009816681 [0,0,0,0,0,1|3,0,0]=4 695 B11R0.176 C=CC[C@@H](C)OCCCC(=O)C 34a_100000731007_100000685027 [0,0,0,0,0,1|2,0,1]=4 696 B11R0.176 C=CC[C@@H](C)OCCCC(=O)C 7a_100000731007_100011215641 [0,0,0,0,0,1|2,0,1]=4 697 B11R0.176 C=CC[C@@H](C)OCCCC(C)C 34a_100000731007_100011214892 [0,0,0,0,0,1|1,0,2]=4 698 B11R0.176 C=CC[C@@H](C)OCCCC(C)C 7a_100000731007_100011214892 [0,0,0,0,0,1|1,0,2]=4 699 B11R0.176 C=CC[C@@H](C)OCCCN(C)C 7a_100000731007_100000757444 [0,0,0,0,0,1|2,0,1]=4 700 B11R0.176 C=CC[C@@H](C)OCCNC(=O)C 7a_100000731007_100000189650 [0,0,0,0,0,1|3,0,0]=4 701 B11R0.176 C=CC[C@@H](C)OCCOC(=O)C 34a_100000731007_100009814007 [0,0,0,0,0,1|3,0,0]=4 702 B11R0.176 C=CC[C@@H](C)OCCOC(=O)C 7a_100000731007_100009814007 [0,0,0,0,0,1|3,0,0]=4 703 B11R0.176 C=CC[C@@H](C)OCCOC(C)C 34a_100000731007_100000211751 [0,0,0,0,0,1|2,0,1]=4 704 B11R0.176 C=CC[C@@H](C)OCCOC(C)C 7a_100000731007_100000211751 [0,0,0,0,0,1|2,0,1]=4 705 B11R0.176 C=CC[C@@H](C)OCCSC(C)C 34a_100000731007_100000730970 [0,0,0,0,0,1|2,0,1]=4 706 B11R0.176 C=CC[C@@H](C)OCCSC(C)C 7a_100000731007_100000730970 [0,0,0,0,0,1|2,0,1]=4 707 B11R0.176 C=CC[C@@H](N)COCC=C(C)C 34a_100020615467_100000761012 [0,0,0,0,0,1|2,0,0]=3 708 B11R0.176 CC#CC(C)OCCC=C(C)C 34a_100011216543_100011217483 [0,0,0,0,0,1|1,0,2]=4 709 B11R0.176 CC(=CCCN[C@@H](C)CC#N)C 2230a_100016994482_100011217483 [0,0,0,0,0,1|1,0,1]=3 710 B11R0.176 CC(=CCCN[C@H](C)CCO)C 2230a_100000706166_100011217483 [0,0,0,0,0,1|0,0,2]=3 711 B11R0.176 CC(=CCCN[C@H](C)CCO)C 34a_100000706166_100011217483 [0,0,0,0,0,1|0,0,2]=3 712 B11R0.176 CC(=CCCOC(C)CCBr)C 34a_100012276601_100011217483 [0,0,0,0,0,1|1,0,1]=3 713 B11R0.176 CC(=CCCSC(C)CC#N)C 62a_100009813641_100011217483 [0,0,0,0,0,1|1,0,1]=3 714 B11R0.176 CC(=CCCSC(C)CC#N)C 62a_100011217483_100009813641 [0,0,0,0,0,1|1,0,1]=3 715 B11R0.176 CC(=CCCSC(C)CCO)C 62a_100009893172_100011217483 [0,0,0,0,0,1|0,0,2]=3 716 B11R0.176 CC(=CCCSC(C)CCO)C 62a_100011217483_100009893172 [0,0,0,0,0,1|0,0,2]=3 717 B11R0.176 CC(=CCOCC(C)CCN)C 34a_106354213184_100000761012 [0,0,0,0,0,1|1,0,1]=3 718 B11R0.176 CC(=CCSC[C@@H](O)CC#N)C 62a_100000001066_100000761012 [0,0,0,0,0,1|2,0,1]=4 719 B11R0.176 CC(=CCSC[C@@H](O)CC#N)C 62a_100000761012_100000001066 [0,0,0,0,0,1|2,0,1]=4 720 B11R0.176 CCCC(C)CNCC=C(C)C 270004a_100000718196_100000243154 [0,0,0,0,0,1|1,0,1]=3 721 B11R0.176 CCCC(C)CNCC=C(C)C 34a_100000718196_100011216630 [0,0,0,0,0,1|1,0,1]=3 722 B11R0.176 CCCC(C)COCC=C(C)C 34a_100000688023_100000761012 [0,0,0,0,0,1|1,0,1]=3 723 B11R0.176 CCCC(C)COCC=C(C)C 34a_100000753907_100011216630 [0,0,0,0,0,1|1,0,1]=3 724 B11R0.176 CCCC(C)COCC=C(C)C 7a_100000688023_100000761012 [0,0,0,0,0,1|1,0,1]=3 725 B11R0.176 CCCC(C)CSCC=C(C)C 62a_100000761012_100011216630 [0,0,0,0,0,1|1,0,1]=3 726 B11R0.176 CCCC(C)CSCC=C(C)C 62a_100011216630_100000761012 [0,0,0,0,0,1|1,0,1]=3 727 B11R0.176 CCCC(C)NCCC=C(C)C 2230a_100000741246_100011217483 [0,0,0,0,0,1|1,0,1]=3 728 B11R0.176 CCCC(C)OCCC=C(C)C 34a_100000764384_100011217483 [0,0,0,0,0,1|1,0,1]=3 729 B11R0.176 CCCC(C)OCCC=C(C)C 7a_100000764384_100011217483 [0,0,0,0,0,1|1,0,1]=3 730 B11R0.176 CCCC(C)SCCC=C(C)C 62a_100000766640_100011217483 [0,0,0,0,0,1|1,0,1]=3 731 B11R0.176 CCCC(C)SCCC=C(C)C 62a_100011217483_100000766640 [0,0,0,0,0,1|1,0,1]=3 732 B11R0.176 CCC[C@H](N)COCC=C(C)C 34a_100000732646_100000761012 [0,0,0,0,0,1|2,0,1]=4 733 B11R0.176 COCC(C)SCCC=C(C)C 62a_100000765312_100011217483 [0,0,0,0,0,1|2,0,0]=3 734 B11R0.176 COCC(C)SCCC=C(C)C 62a_100011217483_100000765312 [0,0,0,0,0,1|2,0,0]=3 735 B11R0.176 COCC(N)COCC=C(C)C 34a_100000724102_100000761012 [0,0,0,0,0,1|3,0,0]=4 736 B11R0.176 COCC(O)CNCC=C(C)C 2230a_100000756049_100000761012 [0,0,0,0,0,1|3,0,0]=4 737 B11R0.176 COCC(O)CNCC=C(C)C 34a_100000718196_100011215053 [0,0,0,0,0,1|3,0,0]=4 738 B11R0.176 COCC(O)CNCC=C(C)C 34a_100000756049_100000761012 [0,0,0,0,0,1|3,0,0]=4 739 B11R0.176 COCC(O)COCC=C(C)C 34a_100000753907_100011215053 [0,0,0,0,0,1|3,0,0]=4 740 B11R0.176 COCC(O)CSCC=C(C)C 62a_100000761012_100011215053 [0,0,0,0,0,1|3,0,0]=4 741 B11R0.176 COCC(O)CSCC=C(C)C 62a_100011215053_100000761012 [0,0,0,0,0,1|3,0,0]=4 742 B11R0.176 COC[C@@H](C)NCCC=C(C)C 2230a_100000764878_100011217483 [0,0,0,0,0,1|2,0,0]=3 743 B11R0.176 COC[C@@H](C)OCCC=C(C)C 34a_100011934205_100011217483 [0,0,0,0,0,1|2,0,0]=3 744 B8R0.6 C/C=C/COC(C)CC 34a_100016270725_100011215416 [2,0,0,0,0,0|1,0,1]=4 745 B8R0.6 C/C=C/COC(C)CC 7a_100000210228_100102629194 [2,0,0,0,0,0|1,0,1]=4 746 B8R0.6 C/C=C/COC(C)CF 34a_100016041109_100102629194 [2,0,0,0,0,0|2,0,0]=4 747 B8R0.6 C/C=C/COC(C)CF 7a_100016041109_100102629194 [2,0,0,0,0,0|2,0,0]=4 748 B8R0.6 C/C=C/COC(C)CN 34a_100000210904_100102629194 [2,0,0,0,0,0|2,0,0]=4 749 B8R0.6 C/C=C/COC(C)CO 34a_100016270725_100012180447 [2,0,0,0,0,0|1,0,1]=4 750 B8R0.6 C/C=C/CSC(C)CC 62a_100000758301_100102629194 [2,0,0,0,0,0|1,0,1]=4 751 B8R0.6 C/C=C/CSC(C)CC 62a_100102629194_100000758301 [2,0,0,0,0,0|1,0,1]=4 752 B8R0.6 C/C=C/CSC(C)CO 62a_100012180447_100102629194 [2,0,0,0,0,0|1,0,1]=4 753 B8R0.6 C/C=C/CS[C@H](C)CO 62a_100016084084_100102629194 [2,0,0,0,0,0|1,0,1]=4 754 B8R0.6 C/C=C/CS[C@H](C)CO 62a_100102629194_100016084084 [2,0,0,0,0,0|1,0,1]=4 755 B8R0.6 C=CC(C)OC/C=C/C 34a_100000695699_100102629194 [2,0,0,0,0,0|1,0,1]=4 756 B8R0.6 C=CC(C)OCC=CC 34a_100000695699_100000070051 [2,0,0,0,0,0|1,0,1]=4 757 B8R0.6 C=CC(C)SC/C=C/C 62a_100011215867_100102629194 [2,0,0,0,0,0|1,0,1]=4 758 B8R0.6 C=CC(C)SCC=CC 62a_100011215867_100000070051 [2,0,0,0,0,0|1,0,1]=4 759 B8R0.6 CC=CCNC(C)CC 2230a_100000209981_100000070051 [2,0,0,0,0,0|1,0,1]=4 760 B8R0.6 CC=CCN[C@H](C)CO 2230a_100000737577_100000070051 [2,0,0,0,0,0|1,0,1]=4 761 B8R0.6 CC=CCOC(C)CC 7a_100000210228_100000070051 [2,0,0,0,0,0|1,0,1]=4 762 B8R0.6 CC=CCOC(C)CF 34a_100016041109_100000070051 [2,0,0,0,0,0|2,0,0]=4 763 B8R0.6 CC=CCOC(C)CF 7a_100016041109_100000070051 [2,0,0,0,0,0|2,0,0]=4 764 B8R0.6 CC=CCOC(C)CN 34a_100000210904_100000070051 [2,0,0,0,0,0|2,0,0]=4 765 B8R0.6 CC=CCSC(C)CC 62a_100000070051_100000758301 [2,0,0,0,0,0|1,0,1]=4 766 B8R0.6 CC=CCSC(C)CC 62a_100000758301_100000070051 [2,0,0,0,0,0|1,0,1]=4 767 B8R0.6 CC=CCSC(C)CO 62a_100012180447_100000070051 [2,0,0,0,0,0|1,0,1]=4 768 B8R0.6 CC=CCS[C@H](C)CO 62a_100000070051_100016084084 [2,0,0,0,0,0|1,0,1]=4 769 B8R0.6 CC=CCS[C@H](C)CO 62a_100016084084_100000070051 [2,0,0,0,0,0|1,0,1]=4 770 B8R0.7 C=C(C)CCOCC=O 34a_100000764851_200009817547 [2,0,0,0,0,0|1,0,1]=4 771 B8R0.7 C=C(C)CCSCC=O 62a_100000730704_200015260668 [2,0,0,0,0,0|1,0,1]=4 772 B8R0.7 C=C(C)CCSCC=O 62a_200015260668_100000730704 [2,0,0,0,0,0|1,0,1]=4 773 B8R0.7 C=CCCCCC(=O)C 1458a_100000070787_100011215482 [2,0,0,0,0,0|2,0,0]=4 774 B8R0.7 C=CCCCCC(=O)C 1458a_100011215552_200000210301 [2,0,0,0,0,0|2,0,0]=4 775 B8R0.7 C=CCCCCC(=O)[13CH3] 1458a_100011215552_200025704644 [2,0,0,0,0,0|2,0,0]=4 776 B8R0.7 C=CCCCCN(C)C 2230a_100012000471_200000210301 [2,0,0,0,0,0|2,0,0]=4 777 B8R0.7 C=CCCCCN(C)C 2230a_100102631434_100011215482 [2,0,0,0,0,0|2,0,0]=4 778 B8R0.7 C=CCCCCN(C)C 269982a_100012000471_200000210301 [2,0,0,0,0,0|2,0,0]=4 779 B8R0.7 C=CCCCCN(C)C 269982a_100102631434_100011215482 [2,0,0,0,0,0|2,0,0]=4 780 B8R0.7 C=CCCCCN(C)[13CH3] 2230a_100012000471_200025704644 [2,0,0,0,0,0|2,0,0]=4 781 B8R0.7 C=CCCCCN(C)[13CH3] 269982a_100012000471_200025704644 [2,0,0,0,0,0|2,0,0]=4 782 B8R0.7 C=CCNCC=C(C)C 2230a_100020586998_100000761012 [2,0,0,0,0,0|1,0,1]=4 783 B8R0.7 C=CCNCC=C(C)C 34a_100000718196_100015514636 [2,0,0,0,0,0|1,0,1]=4 784 B8R0.7 C=CCOCC=C(C)C 34a_100000753907_100015514636 [2,0,0,0,0,0|1,0,1]=4 785 B8R0.7 C=CCOCC=C(C)C 34a_200000210373_100000761012 [2,0,0,0,0,0|1,0,1]=4 786 B8R0.7 C=CCSCC=C(C)C 62a_100000210623_100000761012 [2,0,0,0,0,0|1,0,1]=4 787 B8R0.7 C=CCSCC=C(C)C 62a_100000761012_100000210623 [2,0,0,0,0,0|1,0,1]=4 788 B8R0.7 CC(=CCCSCF)C 62a_100011217483_100015361967 [2,0,0,0,0,0|2,0,0]=4 789 B8R0.7 CC(=CCCSCF)C 62a_100015361967_100011217483 [2,0,0,0,0,0|2,0,0]=4 790 B8R0.7 CC(=CCNCC=O)C 34a_100000718196_200009817547 [2,0,0,0,0,0|1,0,0]=3 791 B8R0.7 CC(=CCNCCF)C 34a_100000718196_100011217306 [2,0,0,0,0,0|2,0,0]=4 792 B8R0.7 CC(=CCNCCF)C 34a_100000724931_100000761012 [2,0,0,0,0,0|2,0,0]=4 793 B8R0.7 CC(=CCNCCO)C 2230a_100016997473_100000761012 [2,0,0,0,0,0|1,0,1]=4 794 B8R0.7 CC(=CCNCCO)C 34a_100000718196_100000211926 [2,0,0,0,0,0|1,0,1]=4 795 B8R0.7 CC(=CCNCCO)C 34a_100016990907_100000761012 [2,0,0,0,0,0|1,0,1]=4 796 B8R0.7 CC(=CCOCC=O)C 34a_100000753907_200009817547 [2,0,0,0,0,0|1,0,0]=3 797 B8R0.7 CC(=CCOCCBr)C 34a_100000211926_100000761012 [2,0,0,0,0,0|2,0,0]=4 798 B8R0.7 CC(=CCOCCF)C 34a_100000753907_100011217306 [2,0,0,0,0,0|2,0,0]=4 799 B8R0.7 CC(=CCOCCN)C 34a_100000210304_100000761012 [2,0,0,0,0,0|2,0,0]=4 800 B8R0.7 CC(=CCOCCO)C 34a_100000753907_100000211926 [2,0,0,0,0,0|1,0,1]=4 801 B8R0.7 CC(=CCSCC=O)C 62a_100000761012_200015260668 [2,0,0,0,0,0|1,0,0]=3 802 B8R0.7 CC(=CCSCC=O)C 62a_200015260668_100000761012 [2,0,0,0,0,0|1,0,0]=3 803 B8R0.7 CC(=CCSCCF)C 62a_100000761012_100011217306 [2,0,0,0,0,0|2,0,0]=4 804 B8R0.7 CC(=CCSCCF)C 62a_100011217306_100000761012 [2,0,0,0,0,0|2,0,0]=4 805 B8R0.7 CC(=CCSCCO)C 62a_100000211926_100000761012 [2,0,0,0,0,0|1,0,1]=4 806 B8R0.7 CC(=CCSCCO)C 62a_100000761012_100000211926 [2,0,0,0,0,0|1,0,1]=4 807 B8R0.7 CC(=O)CCOCC=O 34a_100000759926_200009817547 [2,0,0,0,0,0|2,0,0]=4 808 B8R0.7 CC(=O)CCOCC=O 7a_100000759926_200015260668 [2,0,0,0,0,0|2,0,0]=4 809 B8R0.7 CC(=O)CCSCC=O 62a_100000053229_200015260668 [2,0,0,0,0,0|2,0,0]=4 810 B8R0.7 CC(=O)CCSCC=O 62a_200015260668_100000053229 [2,0,0,0,0,0|2,0,0]=4 811 B8R0.7 CC(C)CCOCC=O 34a_100000210254_200009817547 [2,0,0,0,0,0|1,0,1]=4 812 B8R0.7 CC(C)CCOCC=O 7a_100000210254_200015260668 [2,0,0,0,0,0|1,0,1]=4 813 B8R0.7 CC(C)CCSCC=O 62a_100000210312_200015260668 [2,0,0,0,0,0|1,0,1]=4 814 B8R0.7 CC(C)CCSCC=O 62a_200015260668_100000210312 [2,0,0,0,0,0|1,0,1]=4 815 B8R0.7 CC(C)NCCCC=O 2230a_100138425928_200011292268 [2,0,0,0,0,0|1,0,1]=4 816 B8R0.7 CC(C)SCCCC=O 62a_100000210206_200011292268 [2,0,0,0,0,0|1,0,1]=4 817 B8R0.7 CC(C)SCCCC=O 62a_200011292268_100000210206 [2,0,0,0,0,0|1,0,1]=4 818 B8R0.7 CCCNCC=C(C)C 34a_100000718196_100000210303 [2,0,0,0,0,0|1,0,1]=4 819 B8R0.7 CCCOCC=C(C)C 34a_100000210258_100000761012 [2,0,0,0,0,0|1,0,1]=4 820 B8R0.7 CCCOCC=C(C)C 34a_100000753907_100000210303 [2,0,0,0,0,0|1,0,1]=4 821 B8R0.7 CCCSCC=C(C)C 62a_100000210303_100000761012 [2,0,0,0,0,0|1,0,1]=4 822 B8R0.7 CCCSCC=C(C)C 62a_100000761012_100000210303 [2,0,0,0,0,0|1,0,1]=4 823 B8R0.7 CCNCCC=C(C)C 2230a_100015525214_100011217483 [2,0,0,0,0,0|1,0,1]=4 824 B8R0.7 CCOCCC=C(C)C 34a_100121572206_100011217483 [2,0,0,0,0,0|1,0,1]=4 825 B8R0.7 CCSCCC=C(C)C 62a_100000210202_100011217483 [2,0,0,0,0,0|1,0,1]=4 826 B8R0.7 CCSCCC=C(C)C 62a_100011217483_100000210202 [2,0,0,0,0,0|1,0,1]=4 827 B8R0.7 CN(C)CCCCC=O 2230a_100102631434_100000139335 [2,0,0,0,0,0|1,0,0]=3 828 B8R0.7 CN(C)CCCCC=O 269982a_100102631434_100000139335 [2,0,0,0,0,0|1,0,0]=3 829 B8R0.7 CN(C)CCSCC=O 62a_200015260668_100000755713 [2,0,0,0,0,0|2,0,0]=4 830 B8R0.28 CC(=CCCN(C)C)C 2230a_100102631434_100011217483 [2,0,0,0,0,0|1,0,0]=3 831 B8R0.28 CC(=CCCN(C)C)C 269982a_100102631434_100011217483 [2,0,0,0,0,0|1,0,0]=3 832 B8R0.28 CC(=CCNC(C)C)C 2230a_100138425928_100000761012 [2,0,0,0,0,0|1,0,0]=3 833 B8R0.28 CC(=CCNC(C)C)C 34a_100000718196_100000210206 [2,0,0,0,0,0|1,0,0]=3 834 B8R0.28 CC(=CCNC(C)C)C 34a_100138425928_100000761012 [2,0,0,0,0,0|1,0,0]=3 835 B8R0.28 CC(=CCOC(C)C)C 34a_100000212225_100000761012 [2,0,0,0,0,0|1,0,0]=3 836 B8R0.28 CC(=CCOC(C)C)C 34a_100000753907_100000210206 [2,0,0,0,0,0|1,0,0]=3 837 B8R0.28 CC(=CCSC(C)C)C 62a_100000210206_100000761012 [2,0,0,0,0,0|1,0,0]=3 838 B8R0.28 CC(=CCSC(C)C)C 62a_100000761012_100000210206 [2,0,0,0,0,0|1,0,0]=3 839 B8R0.28 CC(=O)CCC=C(C)C 1458a_100000070787_100011217483 [2,0,0,0,0,0|0,0,1]=3 840 B8R0.28 CC(=O)CCCC(C)C 1458a_100000070787_100011214892 [2,0,0,0,0,0|1,0,1]=4 841 B8R0.28 CC(=O)CCCC(C)C 1458a_100011216857_200000210301 [2,0,0,0,0,0|1,0,1]=4 842 B8R0.28 CC(=O)NCC=C(C)C 11a_100000718196_100015343762 [2,0,0,0,0,0|1,0,1]=4 843 B8R0.28 CC(=O)NCC=C(C)C 1626a_100000718196_100015343762 [2,0,0,0,0,0|1,0,1]=4 844 B8R0.28 CC(=O)NCC=C(C)C 527a_100000718196_100103153847 [2,0,0,0,0,0|1,0,1]=4 845 B8R0.28 CC(=O)NCCC(C)C 11a_100000210545_100015343762 [2,0,0,0,0,0|2,0,0]=4 846 B8R0.28 CC(=O)NCCC(C)C 1626a_100000210545_100015343762 [2,0,0,0,0,0|2,0,0]=4 847 B8R0.28 CC(=O)NCCC(C)C 240690a_100000210545_100015343762 [2,0,0,0,0,0|2,0,0]=4 848 B8R0.28 CC(=O)NCCC(C)C 527a_100000210545_100103153847 [2,0,0,0,0,0|2,0,0]=4 849 B8R0.28 CC(C)CCCC(=O)[13CH3] 1458a_100011216857_200025704644 [2,0,0,0,0,0|1,0,1]=4 850 B8R0.28 CC(C)CCCN(C)C 2230a_100102631434_100011214892 [2,0,0,0,0,0|1,0,1]=4 851 B8R0.28 CC(C)CCCN(C)C 269982a_100102631434_100011214892 [2,0,0,0,0,0|1,0,1]=4 852 B8R0.28 CC(C)CCNC(C)C 2230a_100138425928_100000210312 [2,0,0,0,0,0|1,0,1]=4 853 B8R0.28 CC(C)CCNC(C)C 34a_100138425928_100000210312 [2,0,0,0,0,0|1,0,1]=4 854 B8R0.28 CC(C)CCOC(C)C 34a_100000210254_100000210206 [2,0,0,0,0,0|1,0,1]=4 855 B8R0.28 CC(C)CCOC(C)C 34a_100000212225_100000210312 [2,0,0,0,0,0|1,0,1]=4 856 B8R0.28 CC(C)CCOC(C)C 7a_100000210254_100000210206 [2,0,0,0,0,0|1,0,1]=4 857 B8R0.28 CC(C)CCSC(C)C 62a_100000210206_100000210312 [2,0,0,0,0,0|1,0,1]=4 858 B8R0.28 CC(C)CCSC(C)C 62a_100000210312_100000210206 [2,0,0,0,0,0|1,0,1]=4 859 B8R0.4 C/C=C/CCOCC=O 34a_100016278192_200009817547 [2,0,0,0,0,0|1,0,0]=3 860 B8R0.4 C=CCCNCC=CC 2230a_100015191253_100000070051 [2,0,0,0,0,0|2,0,0]=4 861 B8R0.4 C=CCCOC/C=C/C 34a_100011205117_100102629194 [2,0,0,0,0,0|2,0,0]=4 862 B8R0.4 C=CCCOC/C=C/C 34a_100016270725_100000754431 [2,0,0,0,0,0|2,0,0]=4 863 B8R0.4 C=CCCOCC=CC 34a_100011205117_100000070051 [2,0,0,0,0,0|2,0,0]=4 864 B8R0.4 C=CCCSC/C=C/C 62a_100000754431_100102629194 [2,0,0,0,0,0|2,0,0]=4 865 B8R0.4 C=CCCSC/C=C/C 62a_100102629194_100000754431 [2,0,0,0,0,0|2,0,0]=4 866 B8R0.4 C=CCCSCC=CC 62a_100000070051_100000754431 [2,0,0,0,0,0|2,0,0]=4 867 B8R0.4 C=CCCSCC=CC 62a_100000754431_100000070051 [2,0,0,0,0,0|2,0,0]=4 868 B8R0.4 C=CCOCC/C=C/C 34a_100016278192_100015514636 [2,0,0,0,0,0|2,0,0]=4 869 B8R0.4 CCNCCCCC=O 2230a_100015525214_100000139335 [2,0,0,0,0,0|1,0,1]=4 870 B8R0.4 CCSCCCCC=O 62a_100000139335_100000210202 [2,0,0,0,0,0|1,0,1]=4 871 B8R0.4 CCSCCCCC=O 62a_100000210202_100000139335 [2,0,0,0,0,0|1,0,1]=4 872 B8R0.4 CNCCCCCC=O 2230a_106832991635_100000139337 [2,0,0,0,0,0|1,0,1]=4 873 B8R0.4 CNCCCCCC=O 7a_106832991635_100000139337 [2,0,0,0,0,0|1,0,1]=4 874 B8R0.4 CSCCCCCC=O 62a_100000139337_200000210301 [2,0,0,0,0,0|1,0,1]=4 875 B8R0.4 CSCCCCCC=O 62a_200000210301_100000139337 [2,0,0,0,0,0|1,0,1]=4 876 B8R0.4 [13CH3]SCCCCCC=O 62a_100000139337_200025704644 [2,0,0,0,0,0|1,0,1]=4 877 B8R0.4 [13CH3]SCCCCCC=O 62a_200025704644_100000139337 [2,0,0,0,0,0|1,0,1]=4 878 B8R0.1 C=CCCN(C)CC=C 2230a_100000225617_100000754431 [2,0,0,0,0,0|2,0,0]=4 879 B8R0.1 C=CCCN(C)CC=C 2230a_100020639649_100000210623 [2,0,0,0,0,0|2,0,0]=4 880 B8R0.1 C=CCCN(C)CC=C 269982a_100000225617_100000754431 [2,0,0,0,0,0|2,0,0]=4 881 B8R0.1 C=CCCN(C)CC=C 269982a_100020639649_100000210623 [2,0,0,0,0,0|2,0,0]=4 882 B8R0.1 C=CCCN(C)CC=O 2230a_100020639649_200015260668 [2,0,0,0,0,0|1,0,0]=3 883 B8R0.1 C=CCCN(C)CC=O 269982a_100020639649_200015260668 [2,0,0,0,0,0|1,0,0]=3 884 B8R0.1 C=CCN(C)C/C=C/C 269982a_100000225617_100102629194 [2,0,0,0,0,0|2,0,0]=4 885 B8R0.1 C=CCN(C)CC=CC 2230a_100000225617_100000070051 [2,0,0,0,0,0|2,0,0]=4 886 B8R0.1 C=CCO[C@H](C)CC=C 34a_100000731007_100015514636 [2,0,0,0,0,0|2,0,0]=4 887 B8R0.1 C=CCO[C@H](C)CC=C 7a_100000731007_100015514636 [2,0,0,0,0,0|2,0,0]=4 888 B8R0.1 CCCCN(C)CC=O 2230a_100000207549_200015260668 [2,0,0,0,0,0|1,0,1]=4 889 B8R0.1 CCCCN(C)CC=O 269982a_100000207549_200015260668 [2,0,0,0,0,0|1,0,1]=4 890 B8R0.1 COCCN(C)CC=O 2230a_100000743101_200015260668 [2,0,0,0,0,0|2,0,0]=4 891 B8R0.1 COCCN(C)CC=O 269982a_100000743101_200015260668 [2,0,0,0,0,0|2,0,0]=4 892 B8R0.1 CSCCN(C)CC=O 2230a_100000686725_200015260668 [2,0,0,0,0,0|2,0,0]=4 893 B8R0.1 CSCCN(C)CC=O 269982a_100000686725_200015260668 [2,0,0,0,0,0|2,0,0]=4 894 B10R0.44 CC(=CC(=O)C[C@@H](C)CO)C 1458a_100000211388_100000059175 [1,1,0,0,0,0|0,0,2]=4 895 B10R0.44 CC(=CC(C)OC(C)CO)C 34a_100000717055_100012180447 [1,1,0,0,0,0|1,0,1]=4 896 B10R0.44 CCC(C)CC(=O)C=C(C)C 1458a_100000211388_100000748023 [1,1,0,0,0,0|0,0,2]=4 897 B10R0.44 CCC(C)OC(C)C=C(C)C 34a_100000717055_100011215416 [1,1,0,0,0,0|1,0,1]=4 898 B10R0.44 CC[C@H](C)CC(=O)C=C(C)C 1458a_100000211388_100009816398 [1,1,0,0,0,0|0,0,2]=4 899 B10R0.57 C=CC(C)C(=O)CC=C(C)C 1458a_100011216780_100000761012 [1,1,0,0,0,0|0,0,2]=4 900 B10R0.57 CC(=CCN(C)C(C)CO)C 2230a_100000693034_100000761012 [1,1,0,0,0,0|1,0,1]=4 901 B10R0.57 CC(=CCN(C)C(C)CO)C 269982a_100000693034_100000761012 [1,1,0,0,0,0|1,0,1]=4 902 B10R0.57 CCC(C)C(=O)CC=C(C)C 1458a_100011192722_100000761012 [1,1,0,0,0,0|0,0,2]=4 903 B10R0.57 CCC(C)C(=O)CC=C(C)C 1458a_100011220947_100000758301 [1,1,0,0,0,0|0,0,2]=4 904 B10R0.57 CCC(C)N(C)CC=C(C)C 2230a_100000741768_100000761012 [1,1,0,0,0,0|1,0,1]=4 905 B10R0.57 CCC(C)N(C)CC=C(C)C 269982a_100000741768_100000761012 [1,1,0,0,0,0|1,0,1]=4 906 B10R0.65 C=CC(C)(C)OCC=C(C)C 34a_100011215311_100000761012 [1,1,0,0,0,0|1,0,1]=4 907 B10R0.65 C=CC(C)(C)OCC=C(C)C 7a_100011215311_100000761012 [1,1,0,0,0,0|1,0,1]=4 908 B10R0.65 CC(=CCNC(C)(C)CO)C 2230a_100000210608_100000761012 [1,1,0,0,0,0|1,0,1]=4 909 B10R0.65 CC(=CCOC(C)(C)CCl)C 7a_100000764493_100000761012 [1,1,0,0,0,0|2,0,0]=4 910 B10R0.65 CCC(C)(C)NCC=C(C)C 2230a_100000211385_100000761012 [1,1,0,0,0,0|1,0,1]=4 911 B10R0.65 CCC(C)(C)OCC=C(C)C 7a_100000210230_100000761012 [1,1,0,0,0,0|1,0,1]=4 912 B10R0.65 CCC(C)(C)SCC=C(C)C 62a_100000032637_100000761012 [1,1,0,0,0,0|1,0,1]=4 913 B10R0.65 CCC(C)(C)SCC=C(C)C 62a_100000761012_100000032637 [1,1,0,0,0,0|1,0,1]=4 914 B10R0.77 C=CC(CC)OCC=C(C)C 34a_100000766422_100000761012 [1,1,0,0,0,0|1,0,1]=4 915 B10R0.77 C=CC(CC)OCC=C(C)C 7a_100000766422_100000761012 [1,1,0,0,0,0|1,0,1]=4 916 B10R0.77 C=C[C@@H](CO)NCC=C(C)C 2230a_100016989147_100000761012 [1,1,0,0,0,0|1,0,1]=4 917 B10R0.77 C=C[C@@H](CO)NCC=C(C)C 34a_100016989147_100000761012 [1,1,0,0,0,0|1,0,1]=4 918 B10R0.77 CC(=CCNC(C=O)C=O)C 34a_100000718196_100000736813 [1,1,0,0,0,0|1,0,1]=4 919 B10R0.77 CC(=CCNC(CO)CO)C 2230a_100000759517_100000761012 [1,1,0,0,0,0|1,0,1]=4 920 B10R0.77 CC(=CCOC(C=O)C=O)C 34a_100000753907_100000736813 [1,1,0,0,0,0|1,0,1]=4 921 B10R0.77 CC(=CCOC(CCl)CCl)C 7a_100000737055_100000761012 [1,1,0,0,0,0|2,0,0]=4 922 B10R0.77 CC(=CCOC(CF)CF)C 34a_100000032261_100000761012 [1,1,0,0,0,0|2,0,0]=4 923 B10R0.77 CC(=CCOC(CF)CF)C 7a_100000032261_100000761012 [1,1,0,0,0,0|2,0,0]=4 924 B10R0.77 CC(=CCOC(CN)CN)C 34a_100000031598_100000761012 [1,1,0,0,0,0|2,0,0]=4 925 B10R0.77 CC(=CCO[C@@H](CF)CCl)C 34a_100015614560_100000761012 [1,1,0,0,0,0|2,0,0]=4 926 B10R0.77 CC(=CCO[C@@H](CF)CCl)C 7a_100015614560_100000761012 [1,1,0,0,0,0|2,0,0]=4 927 B10R0.77 CC(=CCSC(C=O)C=O)C 62a_100000736813_100000761012 [1,1,0,0,0,0|1,0,1]=4 928 B10R0.77 CC(=CCSC(C=O)C=O)C 62a_100000761012_100000736813 [1,1,0,0,0,0|1,0,1]=4 929 B10R0.77 CCC(CC)NCC=C(C)C 2230a_100000199018_100000761012 [1,1,0,0,0,0|1,0,1]=4 930 B10R0.77 CCC(CC)NCC=C(C)C 270004a_100000718196_100000210860 [1,1,0,0,0,0|1,0,1]=4 931 B10R0.77 CCC(CC)OCC=C(C)C 7a_100000688536_100000761012 [1,1,0,0,0,0|1,0,1]=4 932 B10R0.77 CCC(CC)SCC=C(C)C 62a_100000210505_100000761012 [1,1,0,0,0,0|1,0,1]=4 933 B10R0.77 CCC(CC)SCC=C(C)C 62a_100000761012_100000210505 [1,1,0,0,0,0|1,0,1]=4 934 B10R0.77 CCN(CC)CCC=C(C)C 2230a_100000724800_100011217483 [1,1,0,0,0,0|1,0,1]=4 935 B10R0.77 CCN(CC)CCC=C(C)C 269956a_100000042499_100011217483 [1,1,0,0,0,0|1,0,1]=4 936 B10R0.77 CCN(CC)CCC=C(C)C 269982a_100000724800_100011217483 [1,1,0,0,0,0|1,0,1]=4 937 B10R0.77 CC[C@@H](CO)NCC=C(C)C 2230a_100000709445_100000761012 [1,1,0,0,0,0|1,0,1]=4 938 B10R0.82 CCC(C)CCC(=O)C(C)C 1458a_100000701222_100000210206 [1,1,0,0,0,0|0,0,2]=4 939 B10R0.82 CCC(C)CCC(=O)N(C)C 11a_100102631434_100000701222 [1,1,0,0,0,0|1,0,1]=4 940 B10R0.82 CCC(C)CCC(=O)N(C)C 1626a_100102631434_100000701222 [1,1,0,0,0,0|1,0,1]=4 941 B10R0.82 CCC(C)CCC(=O)N(C)C 240690a_100102631434_100000701222 [1,1,0,0,0,0|1,0,1]=4 942 B10R0.82 CCC(C)CCC(=O)N(C)C 527a_100102631434_100000701222 [1,1,0,0,0,0|1,0,1]=4 943 B10R0.98 CC(=CCCC(C)N(C)C)C 270004a_100102631434_100000765506 [1,1,0,0,0,0|1,0,1]=4 944 B10R0.98 CC(=CCCN(C)C(C)C)C 269982a_200000211004_100011217483 [1,1,0,0,0,0|1,0,1]=4 945 B10R0.98 CC(=CCNC(C)C(=O)N)C 34a_100000718196_100000702099 [1,1,0,0,0,0|1,0,0]=3 946 B10R0.98 CC(=CCNC(C)C(C)C)C 2230a_100000211541_100000761012 [1,1,0,0,0,0|1,0,1]=4 947 B10R0.98 CC(=CCNC(F)C(=O)N)C 34a_100000718196_100009813875 [1,1,0,0,0,0|2,0,0]=4 948 B10R0.98 CC(=CCNC(F)C(=O)[O-])C 34a_100000718196_100020610796 [1,1,0,0,0,0|2,0,0]=4 949 B10R0.98 CC(=CCN[C@@H](C)C(=O)O)C 269956a_100000743915_100000761012 [1,1,0,0,0,0|1,0,0]=3 950 B10R0.98 CC(=CCN[C@H](C)C(=O)N)C 2230a_100000119354_100000761012 [1,1,0,0,0,0|1,0,0]=3 951 B10R0.98 CC(=CCN[C@H](C)C(=O)N)C 34a_100000119354_100000761012 [1,1,0,0,0,0|1,0,0]=3 952 B10R0.98 CC(=CCOC(C)C(=O)N)C 34a_100000753907_100000702099 [1,1,0,0,0,0|1,0,0]=3 953 B10R0.98 CC(=CCOC(C)C(C)C)C 7a_100000748068_100000761012 [1,1,0,0,0,0|1,0,1]=4 954 B10R0.98 CC(=CCOC(F)C(=O)N)C 34a_100000753907_100009813875 [1,1,0,0,0,0|2,0,0]=4 955 B10R0.98 CC(=CCOC(F)C(=O)[O-])C 34a_100000753907_100020610796 [1,1,0,0,0,0|2,0,0]=4 956 B10R0.98 CC(=CCO[C@@H](C)C(=O)[O-])C 7a_217856618621_100000761012 [1,1,0,0,0,0|1,0,0]=3 957 B10R0.98 CC(=CCO[C@H](C)C(=O)N)C 34a_100000731257_100000761012 [1,1,0,0,0,0|1,0,0]=3 958 B10R0.98 CC(=CCO[C@H](C)C(=O)N)C 7a_100000731257_100000761012 [1,1,0,0,0,0|1,0,0]=3 959 B10R0.98 CC(=CCSC(C)C(=O)N)C 62a_100000702099_100000761012 [1,1,0,0,0,0|1,0,0]=3 960 B10R0.98 CC(=CCSC(C)C(=O)N)C 62a_100000761012_100000702099 [1,1,0,0,0,0|1,0,0]=3 961 B10R0.98 CC(=CCSC(F)C(=O)N)C 62a_100000761012_100009813875 [1,1,0,0,0,0|2,0,0]=4 962 B10R0.98 CC(=CCSC(F)C(=O)N)C 62a_100009813875_100000761012 [1,1,0,0,0,0|2,0,0]=4 963 B10R0.98 CC(=CCSC(F)C(=O)[O-])C 62a_100000761012_100020610796 [1,1,0,0,0,0|2,0,0]=4 964 B10R0.98 CC(=CCSC(F)C(=O)[O-])C 62a_100020610796_100000761012 [1,1,0,0,0,0|2,0,0]=4 965 B10R0.98 CC(=O)C(C)OCC=C(C)C 34a_100000212229_100000761012 [1,1,0,0,0,0|1,0,0]=3 966 B10R0.98 CC(=O)C(C)SCC=C(C)C 62a_100000761012_100009814033 [1,1,0,0,0,0|1,0,0]=3 967 B10R0.98 CC(=O)C(C)SCC=C(C)C 62a_100009814033_100000761012 [1,1,0,0,0,0|1,0,0]=3 968 B10R0.4 C#CCCCNCC=C(C)C 34a_100000718082_100000761012 [1,1,0,0,0,0|1,0,1]=4 969 B10R0.4 C#CCCCNCC=C(C)C 34a_100000718196_100000695029 [1,1,0,0,0,0|1,0,1]=4 970 B10R0.4 C#CCCCOCC=C(C)C 34a_100000215630_100000761012 [1,1,0,0,0,0|1,0,1]=4 971 B10R0.4 C#CCCCOCC=C(C)C 34a_100000753907_100000695029 [1,1,0,0,0,0|1,0,1]=4 972 B10R0.4 C#CCCCOCC=C(C)C 7a_100000215630_100000761012 [1,1,0,0,0,0|1,0,1]=4 973 B10R0.4 C#CCCCSCC=C(C)C 62a_100000761012_100011215417 [1,1,0,0,0,0|1,0,1]=4 974 B10R0.4 C#CCCCSCC=C(C)C 62a_100011215417_100000761012 [1,1,0,0,0,0|1,0,1]=4 975 B10R0.4 C#CCCNCCC=C(C)C 34a_100000755551_100011217483 [1,1,0,0,0,0|1,0,1]=4 976 B10R0.4 C#CCCOCCC=C(C)C 34a_100011215631_100011217483 [1,1,0,0,0,0|1,0,1]=4 977 B10R0.4 C#CCCSCCC=C(C)C 62a_100000688953_100011217483 [1,1,0,0,0,0|1,0,1]=4 978 B10R0.4 C#CCCSCCC=C(C)C 62a_100011217483_100000688953 [1,1,0,0,0,0|1,0,1]=4 979 B10R0.4 C/C=C/CCOCC=C(C)C 34a_100016278192_100000761012 [1,1,0,0,0,0|1,0,1]=4 980 B10R0.4 C/C=C/COCCC=C(C)C 34a_100016270725_100011217483 [1,1,0,0,0,0|1,0,1]=4 981 B10R0.4 C/C=C/CSCCC=C(C)C 62a_100011217483_100102629194 [1,1,0,0,0,0|1,0,1]=4 982 B10R0.4 C/C=C/CSCCC=C(C)C 62a_100102629194_100011217483 [1,1,0,0,0,0|1,0,1]=4 983 B10R0.4 C=C(C)CCSCCCC=O 62a_100000730704_200011292268 [1,1,0,0,0,0|0,0,2]=4 984 B10R0.4 C=C(C)CCSCCCC=O 62a_200011292268_100000730704 [1,1,0,0,0,0|0,0,2]=4 985 B10R0.4 C=C(C)CSCCCCC=O 62a_100000139335_100000211660 [1,1,0,0,0,0|0,0,2]=4 986 B10R0.4 C=C(C)CSCCCCC=O 62a_100000748629_100000139335 [1,1,0,0,0,0|0,0,2]=4 987 B10R0.4 C=CCCCNCC=C(C)C 2230a_100000700776_100000761012 [1,1,0,0,0,0|1,0,0]=3 988 B10R0.4 C=CCCCNCC=C(C)C 34a_100000700776_100000761012 [1,1,0,0,0,0|1,0,0]=3 989 B10R0.4 C=CCCCNCC=C(C)C 34a_100000718196_100000757094 [1,1,0,0,0,0|1,0,0]=3 990 B10R0.4 C=CCCCOCC=C(C)C 34a_100000753907_100000757094 [1,1,0,0,0,0|1,0,0]=3 991 B10R0.4 C=CCCCOCC=C(C)C 34a_100000758997_100000761012 [1,1,0,0,0,0|1,0,0]=3 992 B10R0.4 C=CCCCOCC=C(C)C 7a_100000758997_100000761012 [1,1,0,0,0,0|1,0,0]=3 993 B10R0.4 C=CCCCSCC=C(C)C 62a_100000761012_100000757094 [1,1,0,0,0,0|1,0,0]=3 994 B10R0.4 C=CCCCSCC=C(C)C 62a_100011713584_100000761012 [1,1,0,0,0,0|1,0,0]=3 995 B10R0.4 C=CCCNCCC=C(C)C 2230a_100015191253_100011217483 [1,1,0,0,0,0|1,0,0]=3 996 B10R0.4 C=CCCOCCC=C(C)C 34a_100011205117_100011217483 [1,1,0,0,0,0|1,0,0]=3 997 B10R0.4 C=CCCSCCC=C(C)C 62a_100000754431_100011217483 [1,1,0,0,0,0|1,0,0]=3 998 B10R0.4 C=CCCSCCC=C(C)C 62a_100011217483_100000754431 [1,1,0,0,0,0|1,0,0]=3 999 B10R0.4 C=COCCNCC=C(C)C 34a_100000718196_100000039644 [1,1,0,0,0,0|2,0,0]=4 1000 B10R0.4 C=COCCOCC=C(C)C 34a_100000033082_100000761012 [1,1,0,0,0,0|2,0,0]=4 1001 B10R0.4 C=COCCOCC=C(C)C 34a_100000753907_100000039644 [1,1,0,0,0,0|2,0,0]=4 1002 B10R0.4 C=COCCSCC=C(C)C 62a_100000039644_100000761012 [1,1,0,0,0,0|2,0,0]=4 1003 B10R0.4 C=COCCSCC=C(C)C 62a_100000761012_100000039644 [1,1,0,0,0,0|2,0,0]=4 1004 B10R0.4 CC(=CCCNCCCF)C 2230a_100015189416_100011217483 [1,1,0,0,0,0|1,0,1]=4 1005 B10R0.4 CC(=CCCNCCCF)C 34a_100015189416_100011217483 [1,1,0,0,0,0|1,0,1]=4 1006 B10R0.4 CC(=CCCOCCCBr)C 34a_100011217188_100011217483 [1,1,0,0,0,0|1,0,1]=4 1007 B10R0.4 CC(=CCCOCCCCl)C 34a_100000230001_100011217483 [1,1,0,0,0,0|1,0,1]=4 1008 B10R0.4 CC(=CCCOCCCF)C 34a_100000759539_100011217483 [1,1,0,0,0,0|1,0,1]=4 1009 B10R0.4 CC(=CCCOCCCN)C 34a_100000182051_100011217483 [1,1,0,0,0,0|1,0,1]=4 1010 B10R0.4 CC(=CCCOCCON)C 34a_100000700252_100011217483 [1,1,0,0,0,0|2,0,0]=4 1011 B10R0.4 CC(=CCCSCCC#N)C 62a_100011215226_100011217483 [1,1,0,0,0,0|1,0,1]=4 1012 B10R0.4 CC(=CCCSCCC#N)C 62a_100011217483_100011215226 [1,1,0,0,0,0|1,0,1]=4 1013 B10R0.4 CC(=CCCSCCCF)C 62a_100011217483_100011934791 [1,1,0,0,0,0|1,0,1]=4 1014 B10R0.4 CC(=CCCSCCCF)C 62a_100011934791_100011217483 [1,1,0,0,0,0|1,0,1]=4 1015 B10R0.4 CC(=CCCSCCCO)C 62a_100011215043_100011217483 [1,1,0,0,0,0|0,0,2]=4 1016 B10R0.4 CC(=CCCSCCCO)C 62a_100011217483_100011215043 [1,1,0,0,0,0|0,0,2]=4 1017 B10R0.4 CC(=CCNCCCCF)C 34a_100000718196_100000729493 [1,1,0,0,0,0|1,0,1]=4 1018 B10R0.4 CC(=CCNCCCCO)C 2230a_100000750430_100000761012 [1,1,0,0,0,0|0,0,2]=4 1019 B10R0.4 CC(=CCNCCCCO)C 34a_100000718196_100011216708 [1,1,0,0,0,0|0,0,2]=4 1020 B10R0.4 CC(=CCNCCCCO)C 34a_100000750430_100000761012 [1,1,0,0,0,0|0,0,2]=4 1021 B10R0.4 CC(=CCOCCCCBr)C 34a_100011216708_100000761012 [1,1,0,0,0,0|1,0,1]=4 1022 B10R0.4 CC(=CCOCCCCCl)C 34a_100000210776_100000761012 [1,1,0,0,0,0|1,0,1]=4 1023 B10R0.4 CC(=CCOCCCCCl)C 7a_100000210776_100000761012 [1,1,0,0,0,0|1,0,1]=4 1024 B10R0.4 CC(=CCOCCCCF)C 34a_100000753907_100000729493 [1,1,0,0,0,0|1,0,1]=4 1025 B10R0.4 CC(=CCOCCCCF)C 34a_100011995726_100000761012 [1,1,0,0,0,0|1,0,1]=4 1026 B10R0.4 CC(=CCOCCCCF)C 7a_100011995726_100000761012 [1,1,0,0,0,0|1,0,1]=4 1027 B10R0.4 CC(=CCOCCCCI)C 34a_200012148704_100000761012 [1,1,0,0,0,0|1,0,1]=4 1028 B10R0.4 CC(=CCOCCCCN)C 34a_100000750430_100000761012 [1,1,0,0,0,0|1,0,1]=4 1029 B10R0.4 CC(=CCOCCCCO)C 34a_100000753907_100011216708 [1,1,0,0,0,0|0,0,2]=4 1030 B10R0.4 CC(=CCSCCCC#N)C 62a_100000687738_100000761012 [1,1,0,0,0,0|1,0,1]=4 1031 B10R0.4 CC(=CCSCCCC#N)C 62a_100000761012_100000687738 [1,1,0,0,0,0|1,0,1]=4 1032 B10R0.4 CC(=CCSCCCC=O)C 62a_100000761012_200011292268 [1,1,0,0,0,0|0,0,0]=2 1033 B10R0.4 CC(=CCSCCCC=O)C 62a_200011292268_100000761012 [1,1,0,0,0,0|0,0,0]=2 1034 B10R0.4 CC(=CCSCCCCF)C 62a_100000729493_100000761012 [1,1,0,0,0,0|1,0,1]=4 1035 B10R0.4 CC(=CCSCCCCF)C 62a_100000761012_100000729493 [1,1,0,0,0,0|1,0,1]=4 1036 B10R0.4 CC(=CCSCCCCO)C 62a_100000210776_100000761012 [1,1,0,0,0,0|0,0,2]=4 1037 B10R0.4 CC(=CCSCCCCO)C 62a_100000761012_100000210776 [1,1,0,0,0,0|0,0,2]=4 1038 B10R0.4 CC(=O)CCCCSCC=O 62a_100000735457_200015260668 [1,1,0,0,0,0|1,0,1]=4 1039 B10R0.4 CC(=O)CCCCSCC=O 62a_200015260668_100000735457 [1,1,0,0,0,0|1,0,1]=4 1040 B10R0.4 CC(=O)CCOCCCC=O 7a_100000759926_200011292268 [1,1,0,0,0,0|1,0,1]=4 1041 B10R0.4 CC(=O)CCSCCCC=O 62a_100000053229_200011292268 [1,1,0,0,0,0|1,0,1]=4 1042 B10R0.4 CC(=O)CCSCCCC=O 62a_200011292268_100000053229 [1,1,0,0,0,0|1,0,1]=4 1043 B10R0.4 CC(=O)NCCCNCC=O 34a_100000736810_200009817547 [1,1,0,0,0,0|2,0,0]=4 1044 B10R0.4 CC(=O)NCCCOCC=O 34a_100000752032_200009817547 [1,1,0,0,0,0|2,0,0]=4 1045 B10R0.4 CC(=O)OCCCSCC=O 62a_100000042594_200015260668 [1,1,0,0,0,0|2,0,0]=4 1046 B10R0.4 CC(=O)OCCCSCC=O 62a_200015260668_100000042594 [1,1,0,0,0,0|2,0,0]=4 1047 B10R0.4 CC(=O)OCSCCCC=O 62a_100000076356_200011292268 [1,1,0,0,0,0|2,0,0]=4 1048 B10R0.4 CC(=O)OCSCCCC=O 62a_200011292268_100000076356 [1,1,0,0,0,0|2,0,0]=4 1049 B10R0.4 CC(=O)SCCCSCC=O 62a_100000038929_200015260668 [1,1,0,0,0,0|2,0,0]=4 1050 B10R0.4 CC(=O)SCCCSCC=O 62a_200015260668_100000038929 [1,1,0,0,0,0|2,0,0]=4 1051 B10R0.4 CC(=S)OCCCSCC=O 62a_200015260668_200135323944 [1,1,0,0,0,0|2,0,0]=4 1052 B10R0.4 CC(=S)OCCCSCC=O 62a_200135323944_200015260668 [1,1,0,0,0,0|2,0,0]=4 1053 B10R0.4 CC(C)CCCCOCC=O 34a_100011214890_200009817547 [1,1,0,0,0,0|0,0,2]=4 1054 B10R0.4 CC(C)CCCCOCC=O 7a_100011214890_200015260668 [1,1,0,0,0,0|0,0,2]=4 1055 B10R0.4 CC(C)CCCCSCC=O 62a_100011216152_200015260668 [1,1,0,0,0,0|0,0,2]=4 1056 B10R0.4 CC(C)CCCCSCC=O 62a_200015260668_100011216152 [1,1,0,0,0,0|0,0,2]=4 1057 B10R0.4 CC(C)CCOCCCC=O 7a_100000210254_200011292268 [1,1,0,0,0,0|0,0,2]=4 1058 B10R0.4 CC(C)CCSCCCC=O 62a_100000210312_200011292268 [1,1,0,0,0,0|0,0,2]=4 1059 B10R0.4 CC(C)CCSCCCC=O 62a_200011292268_100000210312 [1,1,0,0,0,0|0,0,2]=4 1060 B10R0.4 CC(C)CNCCCCC=O 2230a_100000210953_100000139335 [1,1,0,0,0,0|0,0,2]=4 1061 B10R0.4 CC(C)CSCCCCC=O 62a_100000139335_100000210760 [1,1,0,0,0,0|0,0,2]=4 1062 B10R0.4 CC(C)CSCCCCC=O 62a_100000210624_100000139335 [1,1,0,0,0,0|0,0,2]=4 1063 B10R0.4 CC(C)NCCCCCC=O 2230a_100138425928_100000139337 [1,1,0,0,0,0|0,0,2]=4 1064 B10R0.4 CC(C)NCCCOCC=O 34a_100000182298_200009817547 [1,1,0,0,0,0|1,0,1]=4 1065 B10R0.4 CC(C)OCCCNCC=O 2230a_100000737246_200015260668 [1,1,0,0,0,0|1,0,1]=4 1066 B10R0.4 CC(C)OCCCNCC=O 34a_100000737246_200009817547 [1,1,0,0,0,0|1,0,1]=4 1067 B10R0.4 CC(C)OCSCCCC=O 62a_100000709892_200011292268 [1,1,0,0,0,0|1,0,1]=4 1068 B10R0.4 CC(C)OCSCCCC=O 62a_200011292268_100000709892 [1,1,0,0,0,0|1,0,1]=4 1069 B10R0.4 CC(C)SCCCCCC=O 62a_100000139337_100000210206 [1,1,0,0,0,0|0,0,2]=4 1070 B10R0.4 CC(C)SCCCCCC=O 62a_100000210206_100000139337 [1,1,0,0,0,0|0,0,2]=4 1071 B10R0.4 CC=CCSCCC=C(C)C 62a_100000070051_100011217483 [1,1,0,0,0,0|1,0,1]=4 1072 B10R0.4 CC=CCSCCC=C(C)C 62a_100011217483_100000070051 [1,1,0,0,0,0|1,0,1]=4 1073 B10R0.4 CCCCCNCC=C(C)C 2230a_100000209983_100000761012 [1,1,0,0,0,0|1,0,1]=4 1074 B10R0.4 CCCCCNCC=C(C)C 34a_100000718196_100000718602 [1,1,0,0,0,0|1,0,1]=4 1075 B10R0.4 CCCCCOCC=C(C)C 34a_100000210253_100000761012 [1,1,0,0,0,0|1,0,1]=4 1076 B10R0.4 CCCCCOCC=C(C)C 34a_100000753907_100000718602 [1,1,0,0,0,0|1,0,1]=4 1077 B10R0.4 CCCCCOCC=C(C)C 7a_100000210253_100000761012 [1,1,0,0,0,0|1,0,1]=4 1078 B10R0.4 CCCCCSCC=C(C)C 62a_100000210326_100000761012 [1,1,0,0,0,0|1,0,1]=4 1079 B10R0.4 CCCCCSCC=C(C)C 62a_100000761012_100000210326 [1,1,0,0,0,0|1,0,1]=4 1080 B10R0.4 CCCCNCCC=C(C)C 2230a_100000102301_100011217483 [1,1,0,0,0,0|1,0,1]=4 1081 B10R0.4 CCCCNCCC=C(C)C 7a_106832991798_100011217483 [1,1,0,0,0,0|1,0,1]=4 1082 B10R0.4 CCCCOCCC=C(C)C 34a_100000210227_100011217483 [1,1,0,0,0,0|1,0,1]=4 1083 B10R0.4 CCCCOCCC=C(C)C 7a_100000210227_100011217483 [1,1,0,0,0,0|1,0,1]=4 1084 B10R0.4 CCCCSCCC=C(C)C 62a_100000210211_100011217483 [1,1,0,0,0,0|1,0,1]=4 1085 B10R0.4 CCCCSCCC=C(C)C 62a_100011217483_100000210210 [1,1,0,0,0,0|1,0,1]=4 1086 B10R0.4 CN(C)CCCCSCC=O 62a_200015260668_100000690147 [1,1,0,0,0,0|1,0,1]=4 1087 B10R0.4 CN(C)CCSCCCC=O 62a_200011292268_100000755713 [1,1,0,0,0,0|1,0,1]=4 1088 B10R0.4 CNCCCOCC=C(C)C 34a_100000213112_100000761012 [1,1,0,0,0,0|2,0,0]=4 1089 B10R0.4 COCCCNCC=C(C)C 34a_100000718196_100000740836 [1,1,0,0,0,0|2,0,0]=4 1090 B10R0.4 COCCCNCC=C(C)C 34a_100150723488_100000761012 [1,1,0,0,0,0|2,0,0]=4 1091 B10R0.4 COCCCOCC=C(C)C 34a_100000740835_100000761012 [1,1,0,0,0,0|2,0,0]=4 1092 B10R0.4 COCCCOCC=C(C)C 34a_100000753907_100000740836 [1,1,0,0,0,0|2,0,0]=4 1093 B10R0.4 COCCCSCC=C(C)C 62a_100000709357_100000761012 [1,1,0,0,0,0|2,0,0]=4 1094 B10R0.4 COCCCSCC=C(C)C 62a_100000761012_100000709357 [1,1,0,0,0,0|2,0,0]=4 1095 B10R0.4 COCCNCCC=C(C)C 2230a_100000209980_100011217483 [1,1,0,0,0,0|2,0,0]=4 1096 B10R0.4 COCCOCCC=C(C)C 34a_100000210237_100011217483 [1,1,0,0,0,0|2,0,0]=4 1097 B10R0.4 COCCSCCC=C(C)C 62a_100000233755_100011217483 [1,1,0,0,0,0|2,0,0]=4 1098 B10R0.4 COCCSCCC=C(C)C 62a_100011217483_100000233755 [1,1,0,0,0,0|2,0,0]=4 1099 B10R0.4 CSCCCNCC=C(C)C 2230a_100000749238_100000761012 [1,1,0,0,0,0|2,0,0]=4 1100 B10R0.4 CSCCCOCC=C(C)C 34a_100000690336_100000761012 [1,1,0,0,0,0|2,0,0]=4 1101 B10R0.4 CSCCCOCC=C(C)C 7a_100000690336_100000761012 [1,1,0,0,0,0|2,0,0]=4 1102 B10R0.4 CSCCNCCC=C(C)C 2230a_100020590264_100011217483 [1,1,0,0,0,0|2,0,0]=4 1103 B10R0.4 CSCCOCCC=C(C)C 34a_100000230434_100011217483 [1,1,0,0,0,0|2,0,0]=4 1104 B10R0.4 CSCCOCCC=C(C)C 7a_100000230434_100011217483 [1,1,0,0,0,0|2,0,0]=4 1105 B10R0.4 CSCCSCCC=C(C)C 62a_100000212216_100011217483 [1,1,0,0,0,0|2,0,0]=4 1106 B10R0.4 CSCCSCCC=C(C)C 62a_100011217483_100000751147 [1,1,0,0,0,0|2,0,0]=4 1107 B10R0.6 C=CCCCC(=O)C=C(C)C 1458a_100000211388_100000757094 [1,1,0,0,0,0|1,0,1]=4 1108 B10R0.6 C=CCCOC(C)C=C(C)C 34a_100000717055_100000754431 [1,1,0,0,0,0|2,0,0]=4 1109 B10R0.22 CC(C)(C)NCCCCC=O 2230a_100000715429_100000139335 [1,1,0,0,0,0|1,0,1]=4 1110 B10R0.22 CC(C)(C)OCCCCC=O 7a_100015890283_100000139335 [1,1,0,0,0,0|1,0,1]=4 1111 B10R0.22 CC(C)(C)SCCCCC=O 62a_100000139335_100000211941 [1,1,0,0,0,0|1,0,1]=4 1112 B10R0.22 CC(C)(C)SCCCCC=O 62a_100000211941_100000139335 [1,1,0,0,0,0|1,0,1]=4 1113 B10R0.55 C=CC(C)COCC=C(C)C 34a_100011215527_100000761012 [1,1,0,0,0,0|2,0,0]=4 1114 B10R0.55 C=CC(C)COCC=C(C)C 7a_100011215527_100000761012 [1,1,0,0,0,0|2,0,0]=4 1115 B10R0.55 C=CC(C)OCCC=C(C)C 34a_100000695699_100011217483 [1,1,0,0,0,0|2,0,0]=4 1116 B10R0.55 C=CC(C)SCCC=C(C)C 62a_100011215867_100011217483 [1,1,0,0,0,0|2,0,0]=4 1117 B10R0.55 C=CC(O)CNCC=C(C)C 34a_100000718196_100000730141 [1,1,0,0,0,0|2,0,0]=4 1118 B10R0.55 C=CC(O)COCC=C(C)C 34a_100000753907_100000730141 [1,1,0,0,0,0|2,0,0]=4 1119 B10R0.55 C=CC(O)CSCC=C(C)C 62a_100000730141_100000761012 [1,1,0,0,0,0|2,0,0]=4 1120 B10R0.55 C=CC(O)CSCC=C(C)C 62a_100000761012_100000730141 [1,1,0,0,0,0|2,0,0]=4 1121 B10R0.55 C=C[C@H](N)COCC=C(C)C 34a_100016989147_100000761012 [1,1,0,0,0,0|2,0,0]=4 1122 B10R0.74 CC(CF)OCCCCC=O 7a_100016041109_100000139335 [1,1,0,0,0,0|1,0,1]=4 1123 B10R0.74 CC(CO)SCCCCC=O 62a_100012180447_100000139335 [1,1,0,0,0,0|1,0,1]=4 1124 B10R0.74 CCC(C)NCCCCC=O 2230a_100000209981_100000139335 [1,1,0,0,0,0|1,0,1]=4 1125 B10R0.74 CCC(C)OCCCCC=O 7a_100000210228_100000139335 [1,1,0,0,0,0|1,0,1]=4 1126 B10R0.74 CCC(C)SCCCCC=O 62a_100000139335_100000758301 [1,1,0,0,0,0|1,0,1]=4 1127 B10R0.74 CCC(C)SCCCCC=O 62a_100000758301_100000139335 [1,1,0,0,0,0|1,0,1]=4 1128 B10R0.74 CCN(C)CCCCCC=O 2230a_100000225621_100000139337 [1,1,0,0,0,0|1,0,1]=4 1129 B10R0.74 CCN(C)CCCCCC=O 269982a_100000225621_100000139337 [1,1,0,0,0,0|1,0,1]=4 1130 B10R0.74 COC(C)SCCCCC=O 62a_100000139335_100009879195 [1,1,0,0,0,0|1,0,1]=4 1131 B10R0.74 COC(C)SCCCCC=O 62a_100009879195_100000139335 [1,1,0,0,0,0|1,0,1]=4 1132 B10R0.74 C[C@H](CO)NCCCCC=O 2230a_100000737577_100000139335 [1,1,0,0,0,0|1,0,1]=4 1133 B10R0.74 C[C@H](CO)SCCCCC=O 62a_100000139335_100016084084 [1,1,0,0,0,0|1,0,1]=4 1134 B10R0.74 C[C@H](CO)SCCCCC=O 62a_100016084084_100000139335 [1,1,0,0,0,0|1,0,1]=4 1135 B10R0.75 C=CCCCCC(=O)C(=C)C 1458a_100000185857_100011215482 [1,1,0,0,0,0|1,0,1]=4 1136 B10R0.75 C=CCCCCC(=O)C(C)C 1458a_100000210198_100011215482 [1,1,0,0,0,0|1,0,1]=4 1137 B10R0.75 C=CCCCCC(=O)C(C)C 1458a_100011215552_100000210206 [1,1,0,0,0,0|1,0,1]=4 1138 B10R0.75 C=CCCCCC(=O)N(C)C 11a_100102631434_100011215552 [1,1,0,0,0,0|2,0,0]=4 1139 B10R0.75 C=CCCCCC(=O)N(C)C 1626a_100102631434_100011215552 [1,1,0,0,0,0|2,0,0]=4 1140 B10R0.75 C=CCCCCC(=O)N(C)C 240690a_100102631434_100011215552 [1,1,0,0,0,0|2,0,0]=4 1141 B10R0.75 C=CCCCCC(=O)N(C)C 527a_100102631434_100011215552 [1,1,0,0,0,0|2,0,0]=4 1142 B10R0.75 CC(C)N(C)CCCCC=O 269982a_200000211004_100000139335 [1,1,0,0,0,0|1,0,1]=4 1143 B10R0.75 CN(C)C(=O)CCNCC=O 2230a_100000738053_200015260668 [1,1,0,0,0,0|2,0,0]=4 1144 B10R0.75 CN(C)C(=O)CCOCC=O 34a_200000747469_200009817547 [1,1,0,0,0,0|2,0,0]=4 1145 B10R0.75 CN(C)C(=O)CCSCC=O 62a_100000737620_200015260668 [1,1,0,0,0,0|2,0,0]=4 1146 B10R0.75 CN(C)C(=O)CCSCC=O 62a_200015260668_100000737620 [1,1,0,0,0,0|2,0,0]=4 1147 B10R0.78 C=CCCC(=O)CC=C(C)C 1458a_100000749702_100000761012 [1,1,0,0,0,0|1,0,1]=4 1148 B10R0.78 C=CCCC(=O)CC=C(C)C 1458a_100011220947_100000754431 [1,1,0,0,0,0|1,0,1]=4 1149 B10R0.78 C=CCCN(C)CC=C(C)C 2230a_100020639649_100000761012 [1,1,0,0,0,0|2,0,0]=4 1150 B10R0.78 C=CCCN(C)CC=C(C)C 269982a_100020639649_100000761012 [1,1,0,0,0,0|2,0,0]=4 1151 B10R0.97 C=C(Br)CCOCC=C(C)C 34a_100009813270_100000761012 [1,1,0,0,0,0|2,0,0]=4 1152 B10R0.97 C=C(C)CCNCC=C(C)C 34a_100000718196_100000730704 [1,1,0,0,0,0|2,0,0]=4 1153 B10R0.97 C=C(C)CCOCC=C(C)C 34a_100000753907_100000730704 [1,1,0,0,0,0|2,0,0]=4 1154 B10R0.97 C=C(C)CCOCC=C(C)C 34a_100000764851_100000761012 [1,1,0,0,0,0|2,0,0]=4 1155 B10R0.97 C=C(C)CCSCC=C(C)C 62a_100000730704_100000761012 [1,1,0,0,0,0|2,0,0]=4 1156 B10R0.97 C=C(C)CCSCC=C(C)C 62a_100000761012_100000730704 [1,1,0,0,0,0|2,0,0]=4 1157 B10R0.97 C=C(C)COCCC=C(C)C 34a_100000210245_100011217483 [1,1,0,0,0,0|2,0,0]=4 1158 B10R0.97 C=C(C)CSCCC=C(C)C 62a_100000748629_100011217483 [1,1,0,0,0,0|2,0,0]=4 1159 B10R0.97 C=C(C)CSCCC=C(C)C 62a_100011217483_100000211660 [1,1,0,0,0,0|2,0,0]=4 1160 B10R0.97 C=C(F)COCCC=C(C)C 34a_200010262243_100011217483 [1,1,0,0,0,0|2,0,0]=4 1161 B10R0.97 C=C(F)CSCCC=C(C)C 62a_100000042424_100011217483 [1,1,0,0,0,0|2,0,0]=4 1162 B10R0.97 C=C(F)CSCCC=C(C)C 62a_100011217483_100000042424 [1,1,0,0,0,0|2,0,0]=4 1163 B10R0.97 CC(=CCCNCC(=O)N)C 2230a_100000711301_100011217483 [1,1,0,0,0,0|1,0,0]=3 1164 B10R0.97 CC(=CCCNCC(=O)O)C 269956a_100016091260_100011217483 [1,1,0,0,0,0|1,0,0]=3 1165 B10R0.97 CC(=CCCSCC(=O)N)C 62a_100000747473_100011217483 [1,1,0,0,0,0|1,0,0]=3 1166 B10R0.97 CC(=CCCSCC(=O)N)C 62a_100011217483_100000747473 [1,1,0,0,0,0|1,0,0]=3 1167 B10R0.97 CC(=CCCSCC(=O)[O-])C 62a_100011217483_100020667443 [1,1,0,0,0,0|1,0,0]=3 1168 B10R0.97 CC(=CCCSCC(=O)[O-])C 62a_100020667443_100011217483 [1,1,0,0,0,0|1,0,0]=3 1169 B10R0.97 CC(=CCCSC[N+](=O)[O-])C 62a_100011217483_100000761209 [1,1,0,0,0,0|2,0,0]=4 1170 B10R0.97 CC(=CCNCCC(=O)N)C 34a_100000718196_100000731001 [1,1,0,0,0,0|1,0,0]=3 1171 B10R0.97 CC(=CCNOCC(=O)O)C 269956a_100000106656_100000761012 [1,1,0,0,0,0|2,0,0]=4 1172 B10R0.97 CC(=CCOCCC(=O)N)C 34a_100000753907_100000731001 [1,1,0,0,0,0|1,0,0]=3 1173 B10R0.97 CC(=CCOCCC(=O)N)C 34a_100000757172_100000761012 [1,1,0,0,0,0|1,0,0]=3 1174 B10R0.97 CC(=CCOCCC(=O)N)C 7a_100000757172_100000761012 [1,1,0,0,0,0|1,0,0]=3 1175 B10R0.97 CC(=CCSCCC(=O)N)C 62a_100000744528_100000761012 [1,1,0,0,0,0|1,0,0]=3 1176 B10R0.97 CC(=CCSCCC(=O)N)C 62a_100000761012_100000744528 [1,1,0,0,0,0|1,0,0]=3 1177 B10R0.97 CC(=O)CCCCCC(=O)N 1458a_100000070787_100009817443 [1,1,0,0,0,0|1,0,1]=4 1178 B10R0.97 CC(=O)CCCCCC(C)C 1458a_100000070787_100000210682 [1,1,0,0,0,0|0,0,2]=4 1179 B10R0.97 CC(=O)CCCCCC(C)C 1458a_100000766313_200000210301 [1,1,0,0,0,0|0,0,2]=4 1180 B10R0.97 CC(=O)CCCCNC(C)C 34a_100138425928_100009817362 [1,1,0,0,0,0|1,0,1]=4 1181 B10R0.97 CC(=O)CCCCOC(=O)C 1458a_100000070787_100000033659 [1,1,0,0,0,0|2,0,0]=4 1182 B10R0.97 CC(=O)CCCCOC(C)C 34a_100000212225_100009817362 [1,1,0,0,0,0|1,0,1]=4 1183 B10R0.97 CC(=O)CCCCSC(=O)C 1458a_100000070787_200010402107 [1,1,0,0,0,0|2,0,0]=4 1184 B10R0.97 CC(=O)CCCCSC(C)C 62a_100000210206_100000735457 [1,1,0,0,0,0|1,0,1]=4 1185 B10R0.97 CC(=O)CCCCSC(C)C 62a_100000735457_100000210206 [1,1,0,0,0,0|1,0,1]=4 1186 B10R0.97 CC(=O)CCOCC=C(C)C 34a_100000759926_100000761012 [1,1,0,0,0,0|1,0,0]=3 1187 B10R0.97 CC(=O)CCOCC=C(C)C 7a_100000759926_100000761012 [1,1,0,0,0,0|1,0,0]=3 1188 B10R0.97 CC(=O)CCSCC=C(C)C 62a_100000053229_100000761012 [1,1,0,0,0,0|1,0,0]=3 1189 B10R0.97 CC(=O)CCSCC=C(C)C 62a_100000761012_100000053229 [1,1,0,0,0,0|1,0,0]=3 1190 B10R0.97 CC(=O)COCCC=C(C)C 34a_100000211253_100011217483 [1,1,0,0,0,0|1,0,0]=3 1191 B10R0.97 CC(=O)NCCCCC(=O)N 11a_100000696515_100015343762 [1,1,0,0,0,0|2,0,0]=4 1192 B10R0.97 CC(=O)NCCCCC(=O)N 1626a_100000696515_100015343762 [1,1,0,0,0,0|2,0,0]=4 1193 B10R0.97 CC(=O)NCCCCC(=O)N 240690a_100000696515_100015343762 [1,1,0,0,0,0|2,0,0]=4 1194 B10R0.97 CC(=O)NCCCCC(=O)N 527a_100000696515_100103153847 [1,1,0,0,0,0|2,0,0]=4 1195 B10R0.97 CC(=O)OCNCC=C(C)C 34a_100000718196_100009813279 [1,1,0,0,0,0|2,0,0]=4 1196 B10R0.97 CC(=O)OCOCC=C(C)C 34a_100000753907_100009813279 [1,1,0,0,0,0|2,0,0]=4 1197 B10R0.97 CC(=O)OCSCC=C(C)C 62a_100000076356_100000761012 [1,1,0,0,0,0|2,0,0]=4 1198 B10R0.97 CC(=O)OCSCC=C(C)C 62a_100000761012_100000076356 [1,1,0,0,0,0|2,0,0]=4 1199 B10R0.97 CC(C)CCCCCC(=O)[13CH3] 1458a_100000766313_200025704644 [1,1,0,0,0,0|0,0,2]=4 1200 B10R0.97 CC(C)NCCCCC(=O)N 34a_100000696515_100000210206 [1,1,0,0,0,0|1,0,1]=4 1201 B10R0.97 CC(C)OCCCCC(=O)N 34a_100012022536_100000210206 [1,1,0,0,0,0|1,0,1]=4 1202 B10R0.97 CC(C)OCCCCC(=O)N 7a_100012022536_100000210206 [1,1,0,0,0,0|1,0,1]=4 1203 B10R0.97 CN(C)CCCCCC(=O)N 2230a_100102631434_100009817443 [1,1,0,0,0,0|1,0,1]=4 1204 B10R0.97 CN(C)CCCCCC(=O)N 269982a_100102631434_100009817443 [1,1,0,0,0,0|1,0,1]=4 1205 B10R0.1 C/C=C/CCOC(C)CCC 34a_100016278192_100000766640 [1,1,0,0,0,0|1,0,1]=4 1206 B10R0.1 C/C=C/CCOC(C)CCO 34a_100016278192_100009893172 [1,1,0,0,0,0|0,0,2]=4 1207 B10R0.1 C/C=C/CCOC(C)COC 34a_100016278192_100000765312 [1,1,0,0,0,0|2,0,0]=4 1208 B10R0.1 C/C=C/COCC(C)CCC 34a_100000688023_100102629194 [1,1,0,0,0,0|1,0,1]=4 1209 B10R0.1 C/C=C/COCC(C)CCC 34a_100016270725_100011216630 [1,1,0,0,0,0|1,0,1]=4 1210 B10R0.1 C/C=C/COCC(C)CCC 7a_100000688023_100102629194 [1,1,0,0,0,0|1,0,1]=4 1211 B10R0.1 C/C=C/COCC(C)CCN 34a_106354213184_100102629194 [1,1,0,0,0,0|1,0,1]=4 1212 B10R0.1 C/C=C/CSCC(C)CCC 62a_100011216630_100102629194 [1,1,0,0,0,0|1,0,1]=4 1213 B10R0.1 C/C=C/CSCC(C)CCC 62a_100102629194_100011216630 [1,1,0,0,0,0|1,0,1]=4 1214 B10R0.1 C=CCC(C)COC/C=C/C 34a_100009832082_100102629194 [1,1,0,0,0,0|1,0,0]=3 1215 B10R0.1 C=CCC(C)COC/C=C/C 7a_100009832082_100102629194 [1,1,0,0,0,0|1,0,0]=3 1216 B10R0.1 C=CCC(C)COCC=CC 34a_100009832082_100000070051 [1,1,0,0,0,0|1,0,0]=3 1217 B10R0.1 C=CCC(C)COCC=CC 7a_100009832082_100000070051 [1,1,0,0,0,0|1,0,0]=3 1218 B10R0.1 C=CCN(C)CC/C=C\CC 2230a_100000225617_100015370543 [1,1,0,0,0,0|2,0,0]=4 1219 B10R0.1 C=CCN(C)CC/C=C\CC 269982a_100000225617_100015370543 [1,1,0,0,0,0|2,0,0]=4 1220 B10R0.1 C=CC[C@@H](C)OC/C=C\CC 34a_100000731007_100103147603 [1,1,0,0,0,0|2,0,0]=4 1221 B10R0.1 C=CC[C@@H](C)OC/C=C\CC 7a_100000731007_100103147603 [1,1,0,0,0,0|2,0,0]=4 1222 B10R0.1 C=CC[C@@H](N)COC/C=C/C 34a_100020615467_100102629194 [1,1,0,0,0,0|2,0,0]=4 1223 B10R0.1 C=CC[C@@H](N)COCC=CC 34a_100020615467_100000070051 [1,1,0,0,0,0|2,0,0]=4 1224 B10R0.1 CC=CCOCC(C)CCC 34a_100000688023_100000070051 [1,1,0,0,0,0|1,0,1]=4 1225 B10R0.1 CC=CCOCC(C)CCC 7a_100000688023_100000070051 [1,1,0,0,0,0|1,0,1]=4 1226 B10R0.1 CC=CCOCC(C)CCN 34a_106354213184_100000070051 [1,1,0,0,0,0|1,0,1]=4 1227 B10R0.1 CC=CCSCC(C)CCC 62a_100000070051_100011216630 [1,1,0,0,0,0|1,0,1]=4 1228 B10R0.1 CC=CCSCC(C)CCC 62a_100011216630_100000070051 [1,1,0,0,0,0|1,0,1]=4 1229 B10R0.19 C=CCC(C)C(=O)C/C=C/C 1458a_100011216819_100102629194 [1,1,0,0,0,0|1,0,1]=4 1230 B10R0.19 C=CCC(C)C(=O)CC=CC 1458a_100011216819_100000070051 [1,1,0,0,0,0|1,0,1]=4 1231 B10R0.24 C=CC[C@H](CO)NCC=CC 2230a_100020615467_100000070051 [1,1,0,0,0,0|2,0,0]=4 1232 B10R0.83 C=C[C@@H](C)[C@@H](C)OC/C=C/C 34a_100015455354_100102629194 [1,1,0,0,0,0|2,0,0]=4 1233 B10R0.83 C=C[C@@H](C)[C@@H](C)OC/C=C/C 7a_100015455354_100102629194 [1,1,0,0,0,0|2,0,0]=4 1234 B10R0.83 C=C[C@@H](C)[C@@H](C)OCC=CC 34a_100015455354_100000070051 [1,1,0,0,0,0|2,0,0]=4 1235 B10R0.83 C=C[C@@H](C)[C@@H](C)OCC=CC 7a_100015455354_100000070051 [1,1,0,0,0,0|2,0,0]=4 1236 B10R0.91 C=CCCC(C)OC/C=C/C 34a_100000765329_100102629194 [1,1,0,0,0,0|2,0,0]=4 1237 B10R0.91 C=CCCC(C)OC/C=C/C 7a_100000765329_100102629194 [1,1,0,0,0,0|2,0,0]=4 1238 B10R0.91 C=CCCC(C)OCC=CC 34a_100000765329_100000070051 [1,1,0,0,0,0|2,0,0]=4 1239 B10R0.91 C=CCCC(C)OCC=CC 7a_100000765329_100000070051 [1,1,0,0,0,0|2,0,0]=4 1240 B10R0.91 CCCCCC(C)NCC=O 2230a_100000211957_200015260668 [1,1,0,0,0,0|0,0,2]=4 1241 B10R0.91 CCCCCC(C)OCC=O 34a_100011215632_200009817547 [1,1,0,0,0,0|0,0,2]=4 1242 B10R0.91 CCCCCC(C)OCC=O 7a_100011215632_200015260668 [1,1,0,0,0,0|0,0,2]=4 1243 B10R0.91 CCCCCC(C)SCC=O 62a_200011218191_200015260668 [1,1,0,0,0,0|0,0,2]=4 1244 B10R0.91 CCCCCC(C)SCC=O 62a_200015260668_200011218191 [1,1,0,0,0,0|0,0,2]=4 1245 B10R0.91 COCCCC(C)OCC=O 34a_200011539412_200009817547 [1,1,0,0,0,0|1,0,1]=4 1246 B10R0.91 COCCCC(C)OCC=O 7a_200011539412_200015260668 [1,1,0,0,0,0|1,0,1]=4 1247 B10R0.108 CNC(=O)CCN(C)CC=O 2230a_100000750875_200015260668 [1,1,0,0,0,0|2,0,0]=4 1248 B10R0.108 CNC(=O)CCN(C)CC=O 269982a_100000750875_200015260668 [1,1,0,0,0,0|2,0,0]=4 1249 B10R0.108 COC(=O)CCN(C)CC=O 269982a_100025711912_200015260668 [1,1,0,0,0,0|2,0,0]=4 1250 B10R0.156 C=CCC(C)(C)OC/C=C/C 7a_100011995686_100102629194 [1,1,0,0,0,0|2,0,0]=4 1251 B10R0.156 C=CCC(C)(C)OCC=CC 7a_100011995686_100000070051 [1,1,0,0,0,0|2,0,0]=4 1252 B10R0.26 CN(CC=O)CC(=O)N(C)C 2230a_100000185065_200015260668 [0,1,0,0,1,0|2,0,0]=4 1253 B10R0.27 CCN(CC=O)CCC(C)C 2230a_100000207693_200015260668 [0,1,0,0,1,0|1,0,1]=4 1254 B10R0.27 CCN(CC=O)CCC(C)C 269982a_100000207693_200015260668 [0,1,0,0,1,0|1,0,1]=4 1255 B10R0.27 CCN(CC=O)CCN(C)C 269982a_100000225870_200015260668 [0,1,0,0,1,0|2,0,0]=4 1256 B10R0.32 CC(C)CC(C)N(C)CC=O 2230a_100000745462_200015260668 [0,1,0,0,1,0|1,0,1]=4 1257 B10R0.32 CC(C)CC(C)N(C)CC=O 269982a_100000745462_200015260668 [0,1,0,0,1,0|1,0,1]=4 1258 B10R0.96 C=C(C)CCN(C)CC(=O)N 2230a_100000739694_100000730704 [0,1,0,0,1,0|1,0,1]=4 1259 B10R0.96 C=C(C)CCN(C)CC(=O)O 269956a_100000746989_100000730704 [0,1,0,0,1,0|1,0,1]=4 1260 B10R0.96 C=C(C)CN(C)CC=C(C)C 2230a_100000225649_100000761012 [0,1,0,0,1,0|2,0,0]=4 1261 B10R0.96 C=C(C)CN(C)CC=C(C)C 269982a_100000225649_100000761012 [0,1,0,0,1,0|2,0,0]=4 1262 B10R0.96 CC(=CCC(=O)CC(=O)N)C 1458a_100011220947_100000187820 [0,1,0,0,1,0|1,0,1]=4 1263 B10R0.96 CC(=CCC(=O)CC(=O)N)C 1458a_100134613110_100000761012 [0,1,0,0,1,0|1,0,1]=4 1264 B10R0.96 CC(=CCC(=O)CC(=O)[O-])C 1458a_100011220947_100020667443 [0,1,0,0,1,0|1,0,1]=4 1265 B10R0.96 CC(=CCN(C)CC(=O)N)C 2230a_100000739694_100000761012 [0,1,0,0,1,0|1,0,0]=3 1266 B10R0.96 CC(=CCN(C)CC(=O)O)C 269956a_100000746989_100000761012 [0,1,0,0,1,0|1,0,0]=3 1267 B10R0.96 CC(=O)CC(C)CSC(=O)C 1458a_100000070787_200000116872 [0,1,0,0,1,0|2,0,0]=4 1268 B10R0.96 CC(=O)CCN(C)CC(=O)O 269956a_100000746989_100000053229 [0,1,0,0,1,0|2,0,0]=4 1269 B10R0.96 CC(=O)NC(C)CCC(C)C 11a_100138410893_100015343762 [0,1,0,0,1,0|1,0,1]=4 1270 B10R0.96 CC(=O)NC(C)CCC(C)C 1626a_100138410893_100015343762 [0,1,0,0,1,0|1,0,1]=4 1271 B10R0.96 CC(=O)NC(C)CCC(C)C 240690a_100138410893_100015343762 [0,1,0,0,1,0|1,0,1]=4 1272 B10R0.96 CC(=O)NC(C)CCC(C)C 527a_100138410893_100103153847 [0,1,0,0,1,0|1,0,1]=4 1273 B10R0.96 CC(C)CCN(C)CC(=O)N 2230a_100000739694_100000210312 [0,1,0,0,1,0|1,0,1]=4 1274 B10R0.96 CC(C)CCN(C)CC(=O)N 2230a_100000742789_100000747473 [0,1,0,0,1,0|1,0,1]=4 1275 B10R0.96 CC(C)CCN(C)CC(=O)N 269982a_100000742789_100000187820 [0,1,0,0,1,0|1,0,1]=4 1276 B10R0.96 CC(C)CCN(C)CC(=O)O 269956a_100000746989_100000210312 [0,1,0,0,1,0|1,0,1]=4 1277 B10R0.96 CC(C)CCN(C)CC(=O)[O-] 269982a_100000742789_100020667443 [0,1,0,0,1,0|1,0,1]=4 1278 B10R0.96 CN(C)CCN(C)CC(=O)N 269982a_100000225618_100000187820 [0,1,0,0,1,0|2,0,0]=4 1279 B10R0.96 CN(C)CCN(C)CC(=O)O 269956a_100000746989_100000755713 [0,1,0,0,1,0|2,0,0]=4 1280 B10R0.96 CN(C)CCN(C)CC(=O)[O-] 269982a_100000225618_100020667443 [0,1,0,0,1,0|2,0,0]=4 1281 B12R0.54 C=CCC(C)C(=O)CCC=C(C)C 1458a_100011216819_100011217483 [0,1,0,0,0,1|1,0,0]=3 1282 B12R0.54 C=CCC(C)C(=O)NCC=C(C)C 11a_100000718196_100011216819 [0,1,0,0,0,1|1,0,1]=4 1283 B12R0.54 C=CCC(C)C(=O)NCC=C(C)C 1626a_100000718196_100011216819 [0,1,0,0,0,1|1,0,1]=4 1284 B12R0.54 C=CCC(C)C(=O)NCC=C(C)C 527a_100000718196_100011216819 [0,1,0,0,0,1|1,0,1]=4 1285 B12R0.54 C=CCN(C)C(C)CCC=C(C)C 270004a_100000225617_100000765506 [0,1,0,0,0,1|2,0,0]=4 1286 B12R0.54 CC(=CCCN(C)C(C)CCO)C 2230a_100000731037_100011217483 [0,1,0,0,0,1|0,0,2]=4 1287 B12R0.54 CC(=CCCN(C)C(C)CCO)C 269982a_100000731037_100011217483 [0,1,0,0,0,1|0,0,2]=4 1288 B12R0.54 CCCC(C)C(=O)CCC=C(C)C 1458a_100000210906_100011217483 [0,1,0,0,0,1|1,0,1]=4 1289 B12R0.54 CCCC(C)C(C)NCC=C(C)C 270004a_100000718196_100011216282 [0,1,0,0,0,1|1,0,1]=4 1290 B12R0.54 CCCC(C)C(C)OCC=C(C)C 34a_100000708338_100000761012 [0,1,0,0,0,1|1,0,1]=4 1291 B12R0.54 CCCC(C)C(C)OCC=C(C)C 7a_100000708338_100000761012 [0,1,0,0,0,1|1,0,1]=4 1292 B12R0.54 COCC(C)C(=O)CCC=C(C)C 1458a_100000751857_100011217483 [0,1,0,0,0,1|2,0,0]=4 1293 B12R0.54 CSCC(C)C(=O)CCC=C(C)C 1458a_100000753918_100011217483 [0,1,0,0,0,1|2,0,0]=4 1294 B12R0.86 C=C[C@@H](C)[C@@H](C)OCCC=C(C)C 34a_100015455354_100011217483 [0,1,0,0,0,1|1,0,0]=3 1295 B12R0.86 C=C[C@@H](C)[C@@H](C)OCCC=C(C)C 7a_100015455354_100011217483 [0,1,0,0,0,1|1,0,0]=3 1296 B12R0.86 CCC(C)C(C)OCCC=C(C)C 7a_100011215189_100011217483 [0,1,0,0,0,1|1,0,1]=4 1297 B12R0.95 C#CCOC(C)COCC=C(C)C 34a_200000093152_100000761012 [0,1,0,0,0,1|1,0,1]=4 1298 B12R0.95 C#CCOC(C)COCC=C(C)C 7a_200000093152_100000761012 [0,1,0,0,0,1|1,0,1]=4 1299 B12R0.95 C=CCCC(C)OCCC=C(C)C 34a_100000765329_100011217483 [0,1,0,0,0,1|1,0,0]=3 1300 B12R0.95 C=CCCC(C)OCCC=C(C)C 7a_100000765329_100011217483 [0,1,0,0,0,1|1,0,0]=3 1301 B12R0.95 CC(=CCCOC(C)CCCCl)C 34a_200000718107_100011217483 [0,1,0,0,0,1|1,0,1]=4 1302 B12R0.95 CC(=CCCOC(C)CCCCl)C 7a_200000718107_100011217483 [0,1,0,0,0,1|1,0,1]=4 1303 B12R0.95 CC(=CCNC[C@H](C)CCCO)C 2230a_100160569302_100000761012 [0,1,0,0,0,1|0,0,2]=4 1304 B12R0.95 CC(=CCNC[C@H](C)CCCO)C 34a_100160569302_100000761012 [0,1,0,0,0,1|0,0,2]=4 1305 B12R0.95 CCCCC(C)COCC=C(C)C 34a_100011995851_100000761012 [0,1,0,0,0,1|1,0,1]=4 1306 B12R0.95 CCCCC(C)COCC=C(C)C 7a_100011995851_100000761012 [0,1,0,0,0,1|1,0,1]=4 1307 B12R0.95 CCCCC(C)NCCC=C(C)C 2230a_100000126638_100011217483 [0,1,0,0,0,1|1,0,1]=4 1308 B12R0.95 CCCCC(C)OCCC=C(C)C 34a_100000687866_100011217483 [0,1,0,0,0,1|1,0,1]=4 1309 B12R0.95 CCCCC(C)OCCC=C(C)C 7a_100000687866_100011217483 [0,1,0,0,0,1|1,0,1]=4 1310 B12R0.95 CCCCC(C)SCCC=C(C)C 62a_100011217483_200011215066 [0,1,0,0,0,1|1,0,1]=4 1311 B12R0.95 CCCCC(C)SCCC=C(C)C 62a_200011215066_100011217483 [0,1,0,0,0,1|1,0,1]=4 1312 B12R0.95 CCCOC(C)CNCC=C(C)C 2230a_100015185124_100000761012 [0,1,0,0,0,1|1,0,1]=4 1313 B12R0.95 CCCOC(C)CNCC=C(C)C 34a_100015185124_100000761012 [0,1,0,0,0,1|1,0,1]=4 1314 B12R0.95 CCOCC(C)OCCC=C(C)C 34a_100000718985_100011217483 [0,1,0,0,0,1|1,0,1]=4 1315 B12R0.95 CCOCC(C)OCCC=C(C)C 7a_100000718985_100011217483 [0,1,0,0,0,1|1,0,1]=4 1316 B12R0.95 COCO[C@H](C)COCC=C(C)C 34a_100016172286_100000761012 [0,1,0,0,0,1|2,0,0]=4 1317 B12R0.95 COCO[C@H](C)COCC=C(C)C 7a_100016172286_100000761012 [0,1,0,0,0,1|2,0,0]=4 1318 B12R0.172 C=CCC(C)(C)OCCC=C(C)C 7a_100011995686_100011217483 [0,1,0,0,0,1|1,0,0]=3 1319 B12R0.172 C=CC[Si](C)(C)CSCC=C(C)C 62a_100000046978_100000761012 [0,1,0,0,0,1|1,1,0]=4 1320 B12R0.172 C=CC[Si](C)(C)CSCC=C(C)C 62a_100000761012_100000046978 [0,1,0,0,0,1|1,1,0]=4 1321 B12R0.172 CC(=CCCOC(C)(C)CCBr)C 7a_100000702414_100011217483 [0,1,0,0,0,1|1,0,1]=4 1322 B12R0.172 CCCC(C)(C)COCC=C(C)C 7a_100011995695_100000761012 [0,1,0,0,0,1|1,0,1]=4 1323 B12R0.172 CCCC(C)(C)OCCC=C(C)C 7a_100000748436_100011217483 [0,1,0,0,0,1|1,0,1]=4 1324 B12R0.172 COCC(C)(C)CNCC=C(C)C 2230a_100000734190_100000761012 [0,1,0,0,0,1|2,0,0]=4 1325 B12R0.172 COCC(C)(C)NCCC=C(C)C 2230a_100000752728_100011217483 [0,1,0,0,0,1|2,0,0]=4 1326 B12R0.172 CSCC(C)(C)NCCC=C(C)C 2230a_100000759623_100011217483 [0,1,0,0,0,1|2,0,0]=4 1327 B12R0.172 CSCC(C)(C)NCCC=C(C)C 7a_100000759623_100011217483 [0,1,0,0,0,1|2,0,0]=4 1328 B12R0.224 C#CCC(CC)OCCC=C(C)C 34a_200011217983_100011217483 [0,1,0,0,0,1|1,0,1]=4 1329 B12R0.224 C#CCC(CC)OCCC=C(C)C 7a_200011217983_100011217483 [0,1,0,0,0,1|1,0,1]=4 1330 B12R0.224 C=CCC(C=C)OCCC=C(C)C 34a_100000038011_100011217483 [0,1,0,0,0,1|1,0,1]=4 1331 B12R0.224 C=CCC(C=C)OCCC=C(C)C 7a_100000038011_100011217483 [0,1,0,0,0,1|1,0,1]=4 1332 B12R0.224 C=CC[C@H](CO)NCCC=C(C)C 2230a_100020615467_100011217483 [0,1,0,0,0,1|1,0,0]=3 1333 B12R0.224 CCC(COC)NCCC=C(C)C 2230a_100000757820_100011217483 [0,1,0,0,0,1|2,0,0]=4 1334 B12R0.224 CCC(COC)OCCC=C(C)C 7a_200011214946_100011217483 [0,1,0,0,0,1|2,0,0]=4 1335 B12R0.224 CCCC(CC)NCCC=C(C)C 2230a_100000747048_100011217483 [0,1,0,0,0,1|1,0,1]=4 1336 B12R0.224 CCCC(CC)OCCC=C(C)C 34a_100000687864_100011217483 [0,1,0,0,0,1|1,0,1]=4 1337 B12R0.224 CCCC(CC)OCCC=C(C)C 7a_100000687864_100011217483 [0,1,0,0,0,1|1,0,1]=4 1338 B12R0.224 CCCC(CC)SCCC=C(C)C 62a_100011217483_100011219200 [0,1,0,0,0,1|1,0,1]=4 1339 B12R0.224 CCCC(CC)SCCC=C(C)C 62a_100011219200_100011217483 [0,1,0,0,0,1|1,0,1]=4 1340 B12R0.224 CCC[C@@H](CO)NCCC=C(C)C 2230a_100000732646_100011217483 [0,1,0,0,0,1|1,0,1]=4 1341 B12R0.224 CCC[C@@H](CO)NCCC=C(C)C 34a_100000732646_100011217483 [0,1,0,0,0,1|1,0,1]=4 1342 B12R0.224 CC[C@H](CC#N)NCCC=C(C)C 2230a_200009818565_100011217483 [0,1,0,0,0,1|1,0,1]=4 1343 B12R0.224 COCC(CCl)OCCC=C(C)C 34a_100011215053_100011217483 [0,1,0,0,0,1|2,0,0]=4 1344 B12R0.224 COCC(CN)OCCC=C(C)C 34a_100000756049_100011217483 [0,1,0,0,0,1|2,0,0]=4 1345 B12R0.224 COCC(CO)NCCC=C(C)C 2230a_100000724102_100011217483 [0,1,0,0,0,1|2,0,0]=4 1346 B12R0.224 COCC(CO)NCCC=C(C)C 34a_100000724102_100011217483 [0,1,0,0,0,1|2,0,0]=4 1347 B12R0.270 CC(=CCCNC(C)CC(C)C)C 2230a_100000692259_100011217483 [0,1,0,0,0,1|1,0,1]=4 1348 B12R0.270 CC(=CCCOC(C)C=C(C)C)C 34a_100000717055_100011217483 [0,1,0,0,0,1|1,0,1]=4 1349 B12R0.270 CC(=CCCOC(C)CC(C)C)C 34a_100000211805_100011217483 [0,1,0,0,0,1|1,0,1]=4 1350 B12R0.270 CC(=CCCOC(C)CC(C)C)C 7a_100000211805_100011217483 [0,1,0,0,0,1|1,0,1]=4 1351 B12R0.270 CC(=CCCSC(C)CC(C)C)C 62a_100000731052_100011217483 [0,1,0,0,0,1|1,0,1]=4 1352 B12R0.270 CC(=CCCSC(C)CC(C)C)C 62a_100011217483_100000731052 [0,1,0,0,0,1|1,0,1]=4 1353 B12R0.270 CC(=CCCSC(C)CN(C)C)C 62a_100011217483_100020606517 [0,1,0,0,0,1|2,0,0]=4 1354 B12R0.270 CC(=CCCSC(C)CN(C)C)C 62a_100020606517_100011217483 [0,1,0,0,0,1|2,0,0]=4 1355 B12R0.270 CC(=CCNCC(O)CC(=O)O)C 269956a_100011218706_100000761012 [0,1,0,0,0,1|1,0,0]=3 1356 B12R0.270 CC(=CCSCC(C)CN(C)C)C 62a_100000761012_100015348159 [0,1,0,0,0,1|2,0,0]=4 1357 B12R0.270 CC(=CCSCC(C)CN(C)C)C 62a_100015348159_100000761012 [0,1,0,0,0,1|2,0,0]=4 1358 B12R0.270 CC(=O)OC(C)SCCC=C(C)C 62a_100009818208_100011217483 [0,1,0,0,0,1|1,0,0]=3 1359 B12R0.270 CC(=O)OC(C)SCCC=C(C)C 62a_100011217483_100009818208 [0,1,0,0,0,1|1,0,0]=3 1360 B12R0.272 CCCC(C)COC(C)C=C(C)C 34a_100000717055_100011216630 [0,1,0,0,0,1|1,0,1]=4 1361 B12R0.279 C=CCC(C)COCC(=O)C(=O)C 34a_100009832082_100011261029 [0,1,0,0,0,1|2,0,0]=4 1362 B12R0.279 C=CCC(C)COCC(=O)C(C)C 34a_100009832082_100000753385 [0,1,0,0,0,1|1,0,1]=4 1363 B12R0.279 C=CCC(C)COCC(=O)C(C)C 7a_100009832082_100000753385 [0,1,0,0,0,1|1,0,1]=4 1364 B12R0.279 C=CCC(C)COCC(=O)N(C)C 34a_100009832082_100000692301 [0,1,0,0,0,1|2,0,0]=4 1365 B12R0.279 C=CCC(C)COCC(=O)N(C)C 7a_100009832082_100000692301 [0,1,0,0,0,1|2,0,0]=4 1366 B12R0.279 C=CC[C@@H](C)OCCC(=O)N(C)C 7a_100000731007_100000737620 [0,1,0,0,0,1|2,0,0]=4 1367 B12R0.283 CCCC(C)CC(=O)CC=C(C)C 1458a_100000748435_100000761012 [0,1,0,0,0,1|1,0,1]=4 1368 B12R0.283 CCCC(C)CC(=O)CC=C(C)C 1458a_100011220947_100011216630 [0,1,0,0,0,1|1,0,1]=4 1369 B12R0.240 C#CC(C)NC(C)CCC=C(C)C 270004a_100000707721_100000765506 [0,2,0,0,0,0|1,0,1]=4 1370 B12R0.240 C#CC(C)OC(C)CCC=C(C)C 34a_100102619829_200000035995 [0,2,0,0,0,0|1,0,1]=4 1371 B12R0.240 CC(=CCCC(=CC(=O)CF)C)C 1458a_100016995320_100015361967 [0,2,0,0,0,0|0,0,2]=4 1372 B12R0.240 CC(=CCCC(C)CC(=O)CF)C 1458a_100000043202_100015361967 [0,2,0,0,0,0|0,0,0]=2 1373 B12R0.240 CC(=CCCC(C)N[C@H](C)CF)C 270004a_100102880703_100000765506 [0,2,0,0,0,0|1,0,1]=4 1374 B12R0.240 CC(=CCCC(C)N[C@H](C)CO)C 270004a_100000737577_100000765506 [0,2,0,0,0,0|0,0,2]=4 1375 B12R0.240 CC(=CCCC(C)OC(C)C#N)C 7a_100102619829_100000703298 [0,2,0,0,0,0|1,0,1]=4 1376 B12R0.240 CC(=CCCC(C)OC(C)CO)C 34a_100102619829_100012180447 [0,2,0,0,0,0|0,0,2]=4 1377 B12R0.240 CC(=CCCC(C)OC(C)CO)C 7a_100102619829_100012180447 [0,2,0,0,0,0|0,0,2]=4 1378 B12R0.240 CCC(=O)C=C(C)CCC=C(C)C 1458a_100016995320_100000210202 [0,2,0,0,0,0|0,0,2]=4 1379 B12R0.240 CCC(=O)CC(C)CCC=C(C)C 1458a_100000043202_100000210202 [0,2,0,0,0,0|0,0,0]=2 1380 B12R0.240 CCC(C)NC(C)CCC=C(C)C 270004a_100000209981_100000765506 [0,2,0,0,0,0|1,0,1]=4 1381 B12R0.240 CCC(C)OC(C)CCC=C(C)C 34a_100102619829_100011215416 [0,2,0,0,0,0|1,0,1]=4 1382 B12R0.240 CCC(C)OC(C)CCC=C(C)C 7a_100102619829_100000758301 [0,2,0,0,0,0|1,0,1]=4 1383 B12R0.240 CNC(=O)C=C(C)CCC=C(C)C 11a_106832991635_100016995320 [0,2,0,0,0,0|0,0,2]=4 1384 B12R0.240 CNC(=O)C=C(C)CCC=C(C)C 1626a_100102657272_100016995320 [0,2,0,0,0,0|0,0,2]=4 1385 B12R0.240 CNC(=O)C=C(C)CCC=C(C)C 240690a_100102657272_100016995320 [0,2,0,0,0,0|0,0,2]=4 1386 B12R0.240 CNC(=O)CC(C)CCC=C(C)C 11a_106832991635_100000043202 [0,2,0,0,0,0|0,0,0]=2 1387 B12R0.240 CNC(=O)CC(C)CCC=C(C)C 1626a_100102657272_100000043202 [0,2,0,0,0,0|0,0,0]=2 1388 B12R0.240 CNC(=O)CC(C)CCC=C(C)C 240690a_100102657272_100000043202 [0,2,0,0,0,0|0,0,0]=2 1389 B12R0.240 CNC(=O)CC(C)CCC=C(C)C 527a_100102657272_100000043202 [0,2,0,0,0,0|0,0,0]=2 1390 B12R0.240 CNC(=O)CN(C)CCC=C(C)C 2230a_100000189611_100011217483 [0,2,0,0,0,0|1,0,0]=3 1391 B12R0.240 COC(=O)CC(=O)CCC=C(C)C 1458a_100000211351_100011217483 [0,2,0,0,0,0|1,0,1]=4 1392 B12R0.240 COC(=O)CC(C)NCC=C(C)C 34a_100000718196_100009817358 [0,2,0,0,0,0|1,0,0]=3 1393 B12R0.240 COC(=O)CC(C)OCC=C(C)C 34a_100000753907_100009817358 [0,2,0,0,0,0|1,0,0]=3 1394 B12R0.240 COC(=O)CC(C)SCC=C(C)C 62a_100000761012_100009817358 [0,2,0,0,0,0|1,0,0]=3 1395 B12R0.240 COC(=O)CC(C)SCC=C(C)C 62a_100009817358_100000761012 [0,2,0,0,0,0|1,0,0]=3 1396 B12R0.240 COC(=O)CN(C)CCC=C(C)C 2230a_100000198492_100011217483 [0,2,0,0,0,0|1,0,0]=3 1397 B12R0.258 CC(=CCC(=O)N(C)CC(=O)N)C 11a_100000739694_100011220947 [0,2,0,0,0,0|1,0,1]=4 1398 B12R0.258 CC(=CCC(=O)N(C)CC(=O)N)C 527a_100000739694_100011220947 [0,2,0,0,0,0|1,0,1]=4 1399 B12R0.258 CC(=O)N[C@H](C)C(=O)CC=C(C)C 1458a_100011504603_100000761012 [0,2,0,0,0,0|1,0,1]=4 1400 B12R0.258 CC(=O)OC(C)C(=O)CC=C(C)C 1458a_100011220947_100009818208 [0,2,0,0,0,0|1,0,1]=4 1401 B12R0.258 CC(=O)O[C@@H](C)C(=O)CC=C(C)C 1458a_100009816467_100000761012 [0,2,0,0,0,0|1,0,1]=4 1402 B12R0.535 C=C(C)CN(CC)CCC=C(C)C 2230a_100000211296_100011217483 [0,2,0,0,0,0|2,0,0]=4 1403 B12R0.535 C=C(C)CN(CC)CCC=C(C)C 269982a_100000211296_100011217483 [0,2,0,0,0,0|2,0,0]=4 1404 B12R0.535 CC(=CCCN(CO)CC(=O)[O-])C 269956a_100016989150_100011217483 [0,2,0,0,0,0|1,0,0]=3 1405 B12R0.535 CC(=CCN[C@H](CO)CC(=O)O)C 269956a_100009816507_100000761012 [0,2,0,0,0,0|1,0,0]=3 1406 B12R0.535 CCN(CCC=C(C)C)CC(=O)O 269956a_100000746405_100011217483 [0,2,0,0,0,0|1,0,0]=3 1407 B12R0.535 CC[C@H](CC(=O)O)NCC=C(C)C 269956a_100016995926_100000761012 [0,2,0,0,0,0|1,0,0]=3 1408 B12R0.686 CC(=CCCN(C)C(C)C(=O)O)C 269956a_100000749554_100011217483 [0,2,0,0,0,0|1,0,0]=3 1409 B12R0.686 CC(=CCOC(C)C(C)[N+](=O)[O-])C 34a_200000034949_100000761012 [0,2,0,0,0,0|2,0,0]=4 1410 B12R0.686 CC(=CCOC(C)C(C)[N+](=O)[O-])C 7a_200000034949_100000761012 [0,2,0,0,0,0|2,0,0]=4 1411 B12R0.686 CC(=CCO[C@H](C)[C@H](N)C(=O)N)C 34a_100000003557_100000761012 [0,2,0,0,0,0|1,0,0]=3 1412 B12R0.687 CN(CCC(=O)N(C)C)CC(=O)N 2230a_100000739694_100000737620 [0,2,0,0,0,0|2,0,0]=4 1413 B12R0.687 CN(CCC(=O)N(C)C)CC(=O)O 269956a_100000746989_100000737620 [0,2,0,0,0,0|2,0,0]=4 1414 B12R0.697 CC(=CCNC(C)(C)CC(=O)N)C 2230a_100000763158_100000761012 [0,2,0,0,0,0|1,0,0]=3 1415 B12R0.697 CC(=CCNC(C)(C)CC(=O)O)C 269956a_100000755897_100000761012 [0,2,0,0,0,0|1,0,0]=3 1416 B12R0.697 CC(=O)CC(C)(C)OCC=C(C)C 7a_100000210262_100000761012 [0,2,0,0,0,0|1,0,0]=3 1417 B12R0.164 C#CCN(CC=C)CCC=C(C)C 2230a_100000731024_100011217483 [0,2,0,0,0,0|2,0,0]=4 1418 B12R0.164 C#CCN(CC=C)CCC=C(C)C 34a_100000731024_100011217483 [0,2,0,0,0,0|2,0,0]=4 1419 B12R0.164 C=CCC(CC=C)OCC=C(C)C 7a_100011215198_100000761012 [0,2,0,0,0,0|2,0,0]=4 1420 B12R0.164 C=CCC(CCC)OCC=C(C)C 34a_100011215139_100000761012 [0,2,0,0,0,0|2,0,0]=4 1421 B12R0.164 C=CCC(CCC)OCC=C(C)C 7a_100011215139_100000761012 [0,2,0,0,0,0|2,0,0]=4 1422 B12R0.164 C=CCN(CC=C)CCC=C(C)C 2230a_100000210471_100011217483 [0,2,0,0,0,0|2,0,0]=4 1423 B12R0.164 C=CCN(CC=C)CCC=C(C)C 269982a_100000210471_100011217483 [0,2,0,0,0,0|2,0,0]=4 1424 B12R0.282 C=CCC(C)(CC)OCC=C(C)C 7a_200011216962_100000761012 [0,2,0,0,0,0|2,0,0]=4 1425 B12R0.397 C=CCC(OCC=C(C)C)C(C)C 34a_200011216146_100000761012 [0,2,0,0,0,0|2,0,0]=4 1426 B12R0.397 C=CCC(OCC=C(C)C)C(C)C 7a_200011216146_100000761012 [0,2,0,0,0,0|2,0,0]=4 1427 B12R0.397 C=CCN(CCC=C(C)C)C(C)C 2230a_100000742772_100011217483 [0,2,0,0,0,0|2,0,0]=4 1428 B12R0.397 C=CCN(CCC=C(C)C)C(C)C 269982a_100000742772_100011217483 [0,2,0,0,0,0|2,0,0]=4 1429 B12R0.98 C=CCSC(C)C(=O)CC=C(C)C 1458a_100000230602_100000761012 [0,2,0,0,0,0|1,0,1]=4 1430 B12R0.174 C=CCC(C)(C)C(=O)CC=C(C)C 1458a_100000705796_100000761012 [0,2,0,0,0,0|1,0,1]=4 1431 B12R0.331 CC(C)CCCC(C)(C)OCC=O 7a_100011215742_200015260668 [0,2,0,0,0,0|0,0,2]=4 1432 B12R0.48 C=C(C)C(=O)NCC(C)OCC=O 34a_100000065599_200009817547 [0,2,0,0,0,0|1,0,1]=4 1433 B12R0.48 C=C(C)C(=O)OCC(C)OCC=O 7a_100000061822_200015260668 [0,2,0,0,0,0|1,0,1]=4 1434 B12R0.44 C=C(C)CCC(C)NCC=C(C)C 270004a_100000718196_100011215600 [0,2,0,0,0,0|2,0,0]=4 1435 B12R0.44 C=C(C)COC(C)CCC=C(C)C 34a_100102619829_100000748629 [0,2,0,0,0,0|1,0,0]=3 1436 B12R0.44 C=C(C)COC(C)CCC=C(C)C 7a_100102619829_100000748629 [0,2,0,0,0,0|1,0,0]=3 1437 B12R0.44 C=C(F)COC(C)CCC=C(C)C 34a_100102619829_100009893438 [0,2,0,0,0,0|1,0,0]=3 1438 B12R0.44 C=C(F)COC(C)CCC=C(C)C 7a_100102619829_100000042424 [0,2,0,0,0,0|1,0,0]=3 1439 B12R0.44 CC(=CCCC(=O)CCC(=O)N)C 1458a_100011215257_100011217483 [0,2,0,0,0,0|1,0,1]=4 1440 B12R0.44 CC(=CCCC(=O)CNC(=O)N)C 1458a_100000184981_100011217483 [0,2,0,0,0,0|1,0,1]=4 1441 B12R0.44 CC(=CCCC(C)CCN(C)C)C 2230a_100102631434_100009814015 [0,2,0,0,0,0|1,0,1]=4 1442 B12R0.44 CC(=CCCC(C)CCN(C)C)C 269982a_100102631434_100009814015 [0,2,0,0,0,0|1,0,1]=4 1443 B12R0.44 CC(=CCCC(C)CCN(C)C)C 270004a_100102631434_100000212096 [0,2,0,0,0,0|1,0,1]=4 1444 B12R0.44 CC(=CCCC(C)NCC(C)C)C 270004a_100000210953_100000765506 [0,2,0,0,0,0|1,0,1]=4 1445 B12R0.44 CC(=CCCC(C)NCC(C)O)C 270004a_100000210904_100000765506 [0,2,0,0,0,0|0,0,2]=4 1446 B12R0.44 CC(=CCCC(C)NCC(F)F)C 270004a_100000765723_100000765506 [0,2,0,0,0,0|1,0,1]=4 1447 B12R0.44 CC(=CCCC(C)OCC(=O)N)C 34a_100102619829_100000187820 [0,2,0,0,0,0|0,0,0]=2 1448 B12R0.44 CC(=CCCC(C)OCC(=O)N)C 7a_100102619829_100000187820 [0,2,0,0,0,0|0,0,0]=2 1449 B12R0.44 CC(=CCCC(C)OCC(=O)[O-])C 34a_100102619829_100020667443 [0,2,0,0,0,0|0,0,0]=2 1450 B12R0.44 CC(=CCCC(C)OCC(C)C)C 34a_100102619829_100000210624 [0,2,0,0,0,0|1,0,1]=4 1451 B12R0.44 CC(=CCCC(C)OCC(C)C)C 7a_100102619829_100000210760 [0,2,0,0,0,0|1,0,1]=4 1452 B12R0.44 CC(=CCCC(C)OCC(C)O)C 34a_100102619829_100011218427 [0,2,0,0,0,0|0,0,2]=4 1453 B12R0.44 CC(=CCCC(C)OCC(C)O)C 7a_100102619829_100011218427 [0,2,0,0,0,0|0,0,2]=4 1454 B12R0.44 CC(=CCCC(C)OCC(F)F)C 34a_100102619829_100011934356 [0,2,0,0,0,0|1,0,1]=4 1455 B12R0.44 CC(=CCCC(C)OCC(F)F)C 7a_100102619829_100011934356 [0,2,0,0,0,0|1,0,1]=4 1456 B12R0.44 CC(=CCCC(C)OC[C@@H](C)O)C 34a_100102619829_100009817552 [0,2,0,0,0,0|0,0,2]=4 1457 B12R0.44 CC(=CCCC(C)OC[C@@H](C)O)C 7a_100102619829_100009817552 [0,2,0,0,0,0|0,0,2]=4 1458 B12R0.44 CC(=CCCC(C)OC[N+](=O)[O-])C 34a_100102619829_100000761209 [0,2,0,0,0,0|1,0,0]=3 1459 B12R0.44 CC(=CCCN(C)CCC(=O)N)C 2230a_100000730477_100011217483 [0,2,0,0,0,0|1,0,0]=3 1460 B12R0.44 CC(=O)C/C=C(\C)/CCC=C(C)C 1458a_100000070787_100016991246 [0,2,0,0,0,0|0,0,1]=3 1461 B12R0.44 CC(=O)CCC(C)CCC=C(C)C 1458a_100000070787_100009814015 [0,2,0,0,0,0|0,0,0]=2 1462 B12R0.44 CC(=O)CCC(C)CCCC(C)C 1458a_100000070787_100009816328 [0,2,0,0,0,0|0,0,2]=4 1463 B12R0.44 CC(=O)NCC(=O)CCC=C(C)C 1458a_100000194580_100011217483 [0,2,0,0,0,0|1,0,1]=4 1464 B12R0.44 CC(=O)NN=C(C)CCC=C(C)C 4a_100000189765_100000765506 [0,2,0,0,0,0|1,0,1]=4 1465 B12R0.44 CC(=O)OCC(=O)CCC=C(C)C 1458a_100000183556_100011217483 [0,2,0,0,0,0|1,0,1]=4 1466 B12R0.44 CC(=O)OCC(C)NCC=C(C)C 270004a_100000718196_100000000629 [0,2,0,0,0,0|1,0,0]=3 1467 B12R0.44 CC(=O)SCC(=O)CCC=C(C)C 1458a_100000049016_100011217483 [0,2,0,0,0,0|1,0,1]=4 1468 B12R0.44 CC(C)CCCC(C)NCC(=O)N 2230a_100000210607_100000747473 [0,2,0,0,0,0|0,0,2]=4 1469 B12R0.44 CC(C)CCCC(C)OCC(=O)N 34a_200011218570_100000187820 [0,2,0,0,0,0|0,0,2]=4 1470 B12R0.44 CC(C)CCCC(C)OCC(=O)N 7a_200011218570_100000187820 [0,2,0,0,0,0|0,0,2]=4 1471 B12R0.44 CC(C)CCCC(C)OCC(=O)[O-] 34a_200011218570_100020667443 [0,2,0,0,0,0|0,0,2]=4 1472 B12R0.233 C#CCCOC(C)CCC=C(C)C 34a_100102619829_100000688953 [0,2,0,0,0,0|1,0,1]=4 1473 B12R0.233 C#CCCOC(C)CCC=C(C)C 7a_100102619829_100000688953 [0,2,0,0,0,0|1,0,1]=4 1474 B12R0.233 C/C=C/COC(C)CCC=C(C)C 34a_100102619829_100102629194 [0,2,0,0,0,0|1,0,0]=3 1475 B12R0.233 C/C=C/COC(C)CCC=C(C)C 7a_100102619829_100102629194 [0,2,0,0,0,0|1,0,0]=3 1476 B12R0.233 C=CCCNC(C)CCC=C(C)C 270004a_100015191253_100000765506 [0,2,0,0,0,0|1,0,0]=3 1477 B12R0.233 C=CCCOC(C)CCC=C(C)C 34a_100102619829_100000754431 [0,2,0,0,0,0|1,0,0]=3 1478 B12R0.233 C=CCCOC(C)CCC=C(C)C 7a_100102619829_100000754431 [0,2,0,0,0,0|1,0,0]=3 1479 B12R0.233 C=CCNCC(C)CCC=C(C)C 270004a_100020586998_100000033009 [0,2,0,0,0,0|1,0,0]=3 1480 B12R0.233 CC#CCOC(C)CCC=C(C)C 34a_100102619829_100000748600 [0,2,0,0,0,0|1,0,1]=4 1481 B12R0.233 CC#CCOC(C)CCC=C(C)C 7a_100102619829_100000748600 [0,2,0,0,0,0|1,0,1]=4 1482 B12R0.233 CC(=CCCC(C)CCOCF)C 34a_100000017536_100015361967 [0,2,0,0,0,0|0,0,2]=4 1483 B12R0.233 CC(=CCCC(C)CCOCF)C 7a_100000017536_100015361967 [0,2,0,0,0,0|0,0,2]=4 1484 B12R0.233 CC(=CCCC(C)CCSCF)C 62a_100009814015_100015361967 [0,2,0,0,0,0|0,1,1]=4 1485 B12R0.233 CC(=CCCC(C)CCSCF)C 62a_100015361967_100009814015 [0,2,0,0,0,0|0,1,1]=4 1486 B12R0.233 CC(=CCCC(C)CNCCO)C 270004a_100000210304_100000033009 [0,2,0,0,0,0|0,0,2]=4 1487 B12R0.233 CC(=CCCC(C)NCCC#N)C 270004a_100000720768_100000765506 [0,2,0,0,0,0|1,0,1]=4 1488 B12R0.233 CC(=CCCC(C)NCCCF)C 270004a_100015189416_100000765506 [0,2,0,0,0,0|1,0,1]=4 1489 B12R0.233 CC(=CCCC(C)NCCCO)C 270004a_100000182051_100000765506 [0,2,0,0,0,0|0,0,2]=4 1490 B12R0.233 CC(=CCCC(C)OCCC#N)C 7a_100102619829_100000184422 [0,2,0,0,0,0|1,0,1]=4 1491 B12R0.233 CC(=CCCC(C)OCCCF)C 34a_100102619829_100011934791 [0,2,0,0,0,0|1,0,1]=4 1492 B12R0.233 CC(=CCCC(C)OCCCF)C 7a_100102619829_100011934791 [0,2,0,0,0,0|1,0,1]=4 1493 B12R0.233 CC(=CCCC(C)OCCCO)C 34a_100102619829_100000230001 [0,2,0,0,0,0|0,0,2]=4 1494 B12R0.233 CC(=CCCC(C)OCCCO)C 7a_100102619829_100011215043 [0,2,0,0,0,0|0,0,2]=4 1495 B12R0.233 CC=CCOC(C)CCC=C(C)C 34a_100102619829_100000070051 [0,2,0,0,0,0|1,0,0]=3 1496 B12R0.233 CC=CCOC(C)CCC=C(C)C 7a_100102619829_100000070051 [0,2,0,0,0,0|1,0,0]=3 1497 B12R0.233 CCCCNC(C)CCC=C(C)C 270004a_100000102301_100000765506 [0,2,0,0,0,0|1,0,1]=4 1498 B12R0.233 CCCCOC(C)CCC=C(C)C 34a_100102619829_100000210210 [0,2,0,0,0,0|1,0,1]=4 1499 B12R0.233 CCCCOC(C)CCC=C(C)C 7a_100102619829_100000210211 [0,2,0,0,0,0|1,0,1]=4 1500 B12R0.233 CCCNCC(C)CCC=C(C)C 270004a_100020643023_100000033009 [0,2,0,0,0,0|1,0,1]=4 1501 B12R0.233 CCNCCC(C)CCC=C(C)C 2230a_100015525214_100009814015 [0,2,0,0,0,0|1,0,1]=4 1502 B12R0.233 CCNCCC(C)CCC=C(C)C 269862a_100015525214_100000212096 [0,2,0,0,0,0|1,0,1]=4 1503 B12R0.233 CCNCCC(C)CCC=C(C)C 270004a_100015525214_100000212096 [0,2,0,0,0,0|1,0,1]=4 1504 B12R0.233 CCOCCC(C)CCC=C(C)C 34a_100000017536_100000210202 [0,2,0,0,0,0|0,0,2]=4 1505 B12R0.233 CCOCCC(C)CCC=C(C)C 34a_100121572206_100009814015 [0,2,0,0,0,0|0,0,2]=4 1506 B12R0.233 CCOCCC(C)CCC=C(C)C 7a_100000017536_100000210202 [0,2,0,0,0,0|0,0,2]=4 1507 B12R0.233 CCSCCC(C)CCC=C(C)C 62a_100000210202_100009814015 [0,2,0,0,0,0|0,1,1]=4 1508 B12R0.233 CCSCCC(C)CCC=C(C)C 62a_100009814015_100000210202 [0,2,0,0,0,0|0,1,1]=4 1509 B12R0.233 COCCNC(C)CCC=C(C)C 270004a_100000209980_100000765506 [0,2,0,0,0,0|0,0,2]=4 1510 B12R0.233 COCCOC(C)CCC=C(C)C 34a_100102619829_100011201679 [0,2,0,0,0,0|0,0,2]=4 1511 B12R0.233 COCCOC(C)CCC=C(C)C 7a_100102619829_100000233755 [0,2,0,0,0,0|0,0,2]=4 1512 B12R0.233 CSCCNC(C)CCC=C(C)C 270004a_100020590264_100000765506 [0,2,0,0,0,0|0,1,1]=4 1513 B12R0.233 CSCCOC(C)CCC=C(C)C 34a_100102619829_100000212216 [0,2,0,0,0,0|0,1,1]=4 1514 B12R0.233 CSCCOC(C)CCC=C(C)C 7a_100102619829_100000212216 [0,2,0,0,0,0|0,1,1]=4 1515 B10R1.73 CC(=CCN[C@@H]1C[C@@H]1F)C 2230a_100015190264_100000761012 [1,0,0,1,0,0|2,0,0]=4 1516 B10R1.73 CC(=CCN[C@@H]1C[C@H]1F)C 2230a_100025746932_100000761012 [1,0,0,1,0,0|2,0,0]=4 1517 B10R1.73 CC(=CCN[C@@H]1C[C@H]1F)C 34a_100025746932_100000761012 [1,0,0,1,0,0|2,0,0]=4 1518 B10R1.117 CC(=CCN1CCC1C)C 269982a_100000755817_100000761012 [1,0,0,1,0,0|1,0,1]=4 1519 B10R1.117 CC(=CCN1CCC1C)C 34a_100000755817_100000761012 [1,0,0,1,0,0|1,0,1]=4 1520 B10R1.127 CC(=CCCN1CCC1)C 269982a_100000754969_100011217483 [1,0,0,1,0,0|1,0,1]=4 1521 B10R1.127 CC(=CCNC1CCC1)C 2230a_100000749019_100000761012 [1,0,0,1,0,0|1,0,1]=4 1522 B10R1.127 CC(=CCNC1CCC1)C 270004a_100000718196_100000241760 [1,0,0,1,0,0|1,0,1]=4 1523 B10R1.127 CC(=CCNC1CCC1)C 34a_100000718196_100000749161 [1,0,0,1,0,0|1,0,1]=4 1524 B10R1.127 CC(=CCNC1CCC1)C 34a_100000749019_100000761012 [1,0,0,1,0,0|1,0,1]=4 1525 B10R1.127 CC(=CCNC1COC1)C 2230a_100016991112_100000761012 [1,0,0,1,0,0|1,0,1]=4 1526 B10R1.127 CC(=CCNC1COC1)C 34a_100000718196_100009818527 [1,0,0,1,0,0|1,0,1]=4 1527 B10R1.127 CC(=CCOC1CCC1)C 34a_100000748187_100000761012 [1,0,0,1,0,0|1,0,1]=4 1528 B10R1.127 CC(=CCOC1CCC1)C 34a_100000753907_100000749161 [1,0,0,1,0,0|1,0,1]=4 1529 B10R1.127 CC(=CCOC1COC1)C 34a_100000753907_100009818527 [1,0,0,1,0,0|1,0,1]=4 1530 B10R1.127 CC(=CCOC1CSC1)C 7a_100000072292_100000761012 [1,0,0,1,0,0|1,1,0]=4 1531 B10R1.127 CC(=CCSC1CCC1)C 62a_100000761012_100000749161 [1,0,0,1,0,0|1,0,1]=4 1532 B10R1.127 CC(=CCSC1COC1)C 62a_100000761012_100009818527 [1,0,0,1,0,0|1,0,1]=4 1533 B10R1.350 CC(=CCNC1(CC1)C)C 2230a_100000757604_100000761012 [1,0,0,1,0,0|1,0,1]=4 1534 B10R1.350 CC(=CCOC1(CC1)C)C 7a_100011725673_100000761012 [1,0,0,1,0,0|1,0,1]=4 1535 B10R1.10 C=CCN1CCC=C(C1)C 2230a_100000725631_100000210623 [1,0,0,1,0,0|2,0,0]=4 1536 B10R1.10 C=CCN1CCC=C(C1)C 269982a_100000725631_100000210623 [1,0,0,1,0,0|2,0,0]=4 1537 B10R1.10 C=CCN1CCC=C(C1)C 34a_100000725631_100015514636 [1,0,0,1,0,0|2,0,0]=4 1538 B10R1.10 CC1=CCCN(C1)CC=O 2230a_100000725631_200015260668 [1,0,0,1,0,0|1,0,0]=3 1539 B10R1.10 CC1=CCCN(C1)CC=O 269982a_100000725631_200015260668 [1,0,0,1,0,0|1,0,0]=3 1540 B10R1.10 CC1=CCCN(C1)CC=O 34a_100000725631_200009817547 [1,0,0,1,0,0|1,0,0]=3 1541 B10R1.61 CC(=O)C1CCCCC1=O 1458a_100000070787_100000204591 [1,0,0,1,0,0|1,0,1]=4 1542 B10R1.61 CN(C)C1CCCCC1=O 269982a_100102631434_100000204591 [1,0,0,1,0,0|1,0,1]=4 1543 B10R1.64 CC(C)NC1CCCC1=O 2230a_100138425928_100000211823 [1,0,0,1,0,0|1,0,1]=4 1544 B10R1.64 CC(C)NC1CCCC1=O 34a_100138425928_100000709159 [1,0,0,1,0,0|1,0,1]=4 1545 B10R1.64 CC(C)OC1CCCC1=O 34a_100000212225_100000709159 [1,0,0,1,0,0|1,0,1]=4 1546 B10R1.64 CC(C)OC1CCCC1=O 34a_200000719330_100000210206 [1,0,0,1,0,0|1,0,1]=4 1547 B10R1.64 CC(C)SC1CCCC1=O 62a_100000210206_100000211823 [1,0,0,1,0,0|1,0,1]=4 1548 B10R1.64 CC(C)SC1CCCC1=O 62a_100000211823_100000210206 [1,0,0,1,0,0|1,0,1]=4 1549 B10R1.177 O=CCCCCSC1CC1 62a_100000139335_100000211595 [1,0,0,1,0,0|1,0,1]=4 1550 B10R1.21 CC=CCNC1CC=CC1 2230a_100015188752_100000070051 [1,0,0,1,0,0|2,0,0]=4 1551 B10R1.377 CC1(CC=CCC1)CO[13CH3] 34a_200000074738_200025704644 [1,0,0,1,0,0|2,0,0]=4 1552 B10R1.377 COCC1(CC=CCC1)C 34a_200000074738_200000210301 [1,0,0,1,0,0|2,0,0]=4 1553 B10R1.1 C=C1CCN(CC1)CC=O 2230a_100000752442_200015260668 [0,0,0,1,1,0|1,0,1]=4 1554 B10R1.1 C=C1CCN(CC1)CC=O 269982a_100000752442_200015260668 [0,0,0,1,1,0|1,0,1]=4 1555 B10R1.1 C=C1CCN(CC1)CC=O 34a_100000752442_200009817547 [0,0,0,1,1,0|1,0,1]=4 1556 B10R1.1 C=CCN1CC=C(CC1)C 2230a_100000693516_100000210623 [0,0,0,1,1,0|2,0,0]=4 1557 B10R1.1 C=CCN1CC=C(CC1)C 269982a_100000693516_100000210623 [0,0,0,1,1,0|2,0,0]=4 1558 B10R1.1 C=CCN1CC=C(CC1)C 34a_100000693516_100015514636 [0,0,0,1,1,0|2,0,0]=4 1559 B10R1.1 CC1=CCN(CC1)CC=O 2230a_100000693516_200015260668 [0,0,0,1,1,0|1,0,0]=3 1560 B10R1.1 CC1=CCN(CC1)CC=O 269982a_100000693516_200015260668 [0,0,0,1,1,0|1,0,0]=3 1561 B10R1.1 CC1=CCN(CC1)CC=O 34a_100000693516_200009817547 [0,0,0,1,1,0|1,0,0]=3 1562 B10R1.1 CC1CCN(CC1)CC=O 2230a_100000188429_200015260668 [0,0,0,1,1,0|1,0,1]=4 1563 B10R1.1 CC1CCN(CC1)CC=O 269982a_100000188429_200015260668 [0,0,0,1,1,0|1,0,1]=4 1564 B10R1.1 CC1CCN(CC1)CC=O 34a_100000188429_200009817547 [0,0,0,1,1,0|1,0,1]=4 1565 B10R1.1 CN1CCN(CC1)CC=O 2230a_100000188432_200015260668 [0,0,0,1,1,0|2,0,0]=4 1566 B10R1.1 CN1CCN(CC1)CC=O 269982a_100000188432_200015260668 [0,0,0,1,1,0|2,0,0]=4 1567 B10R1.59 CC(=O)C1CC(OC1=O)C 1458a_100000070787_200000216747 [0,0,0,1,1,0|2,0,0]=4 1568 B10R1.59 CC1CC(C(=O)O1)N(C)C 2230a_100102631434_200000216747 [0,0,0,1,1,0|2,0,0]=4 1569 B10R1.59 CC1CC(C(=O)O1)N(C)C 269982a_100102631434_200000216747 [0,0,0,1,1,0|2,0,0]=4 1570 B10R1.82 C=C(C)CSC1CC(=O)C1 62a_100009894365_100000211660 [0,0,0,1,1,0|1,0,1]=4 1571 B10R1.82 CC(C)CSC1CC(=O)C1 62a_100009894365_100000210760 [0,0,0,1,1,0|1,0,1]=4 1572 B10R1.82 CC(C)NCC1CC(=O)C1 2230a_100138425928_100009874392 [0,0,0,1,1,0|1,0,1]=4 1573 B10R1.82 CC(C)OCC1CC(=O)C1 34a_100000101936_100000210206 [0,0,0,1,1,0|1,0,1]=4 1574 B10R1.82 CC(C)SCC1CC(=O)C1 62a_100000210206_100009874392 [0,0,0,1,1,0|1,0,1]=4 1575 B10R1.82 CC(C)SCC1CC(=O)C1 62a_100009874392_100000210206 [0,0,0,1,1,0|1,0,1]=4 1576 B10R1.93 CN(C)C1CN(C1)CC=O 269982a_100000694738_200015260668 [0,0,0,1,1,0|2,0,0]=4 1577 B10R1.95 CC1(CCN(C1)CC=O)C 2230a_100000764714_200015260668 [0,0,0,1,1,0|1,0,1]=4 1578 B10R1.95 CC1(CCN(C1)CC=O)C 269982a_100000764714_200015260668 [0,0,0,1,1,0|1,0,1]=4 1579 B12R1.17 CC1=CCCN(C1)C(C)CC#N 2230a_100000725631_100009813641 [0,0,0,1,0,1|1,0,1]=4 1580 B12R1.17 CC1=CCCN(C1)C(C)CC#N 269982a_100000725631_100009813641 [0,0,0,1,0,1|1,0,1]=4 1581 B12R1.17 CC1=CCCN(C1)C(C)CCO 2230a_100000725631_100009893172 [0,0,0,1,0,1|0,0,2]=4 1582 B12R1.17 CC1=CCCN(C1)C(C)CCO 269982a_100000725631_100009893172 [0,0,0,1,0,1|0,0,2]=4 1583 B12R1.17 CC1=CCCN(C1)C(C)CCO 34a_100000725631_100009893172 [0,0,0,1,0,1|0,0,2]=4 1584 B12R1.17 CCCC(C)N1CCC=C(C1)C 2230a_100000725631_100000766640 [0,0,0,1,0,1|1,0,1]=4 1585 B12R1.17 CCCC(C)N1CCC=C(C1)C 269982a_100000725631_100000766640 [0,0,0,1,0,1|1,0,1]=4 1586 B12R1.17 CCCC(C)N1CCC=C(C1)C 270004a_100000725631_100000211909 [0,0,0,1,0,1|1,0,1]=4 1587 B12R1.17 CCCC(C)N1CCC=C(C1)C 34a_100000725631_100000766640 [0,0,0,1,0,1|1,0,1]=4 1588 B12R1.17 COCC(C)N1CCC=C(C1)C 2230a_100000725631_100000765312 [0,0,0,1,0,1|2,0,0]=4 1589 B12R1.17 COCC(C)N1CCC=C(C1)C 269982a_100000725631_100000765312 [0,0,0,1,0,1|2,0,0]=4 1590 B12R1.17 COCC(C)N1CCC=C(C1)C 270004a_100000725631_100000749346 [0,0,0,1,0,1|2,0,0]=4 1591 B12R1.17 COCC(C)N1CCC=C(C1)C 34a_100000725631_100000765312 [0,0,0,1,0,1|2,0,0]=4 1592 B12R1.17 CSCC(C)N1CCC=C(C1)C 270004a_100000725631_100011216314 [0,0,0,1,0,1|2,0,0]=4 1593 B12R1.130 CC(=CCCN1CCC[C@@H]1C)C 2230a_100020605311_100011217483 [0,0,0,1,0,1|1,0,1]=4 1594 B12R1.130 CC(=CCCN1CCC[C@@H]1C)C 269982a_100020605311_100011217483 [0,0,0,1,0,1|1,0,1]=4 1595 B12R1.130 CC(=CCCN1CCC[C@H]1C)C 2230a_100015189458_100011217483 [0,0,0,1,0,1|1,0,1]=4 1596 B12R1.130 CC(=CCCN1CCC[C@H]1C)C 269982a_100015189458_100011217483 [0,0,0,1,0,1|1,0,1]=4 1597 B12R1.130 CC(=CCCN1CCC[C@H]1C)C 34a_100015189458_100011217483 [0,0,0,1,0,1|1,0,1]=4 1598 B12R1.130 CC(=CCOC1CCCC1C)C 34a_100011216460_100000761012 [0,0,0,1,0,1|1,0,1]=4 1599 B12R1.130 CC(=CCOC1CCCC1C)C 7a_100011216460_100000761012 [0,0,0,1,0,1|1,0,1]=4 1600 B12R1.130 CC(=CCO[C@H]1CNC[C@H]1C)C 34a_200015306588_100000761012 [0,0,0,1,0,1|2,0,0]=4 1601 B12R1.175 CC(=CCN1CC(C1)CC#N)C 269982a_206645079572_100000761012 [0,0,0,1,0,1|1,0,1]=4 1602 B12R1.175 COCC1CN(C1)CC=C(C)C 2230a_100016993750_100000761012 [0,0,0,1,0,1|2,0,0]=4 1603 B12R1.175 COCC1CN(C1)CC=C(C)C 269982a_100016993750_100000761012 [0,0,0,1,0,1|2,0,0]=4 1604 B12R1.175 COCC1CN(C1)CC=C(C)C 34a_100016993750_100000761012 [0,0,0,1,0,1|2,0,0]=4 1605 B12R1.220 C=C(C)CCOCC1CC(=O)C1 34a_100000101936_100000730704 [0,0,0,1,0,1|0,0,2]=4 1606 B12R1.220 C=C(C)CCSCC1CC(=O)C1 62a_100000730704_100009874392 [0,0,0,1,0,1|0,0,2]=4 1607 B12R1.220 C=C(C)CCSCC1CC(=O)C1 62a_100009874392_100000730704 [0,0,0,1,0,1|0,0,2]=4 1608 B12R1.220 C=C1CC(C1)CNCC=C(C)C 2230a_100102567296_100000761012 [0,0,0,1,0,1|1,0,0]=3 1609 B12R1.220 C=C1CC(C1)CNCC=C(C)C 34a_100102567296_100000761012 [0,0,0,1,0,1|1,0,0]=3 1610 B12R1.220 C=C1CC(C1)COCC=C(C)C 34a_100011011225_100000761012 [0,0,0,1,0,1|1,0,0]=3 1611 B12R1.220 C=C1CC(C1)NCCC=C(C)C 2230a_100132301982_100011217483 [0,0,0,1,0,1|1,0,0]=3 1612 B12R1.220 CC(=CCCNC1CC(C1)F)C 2230a_100016993743_100011217483 [0,0,0,1,0,1|1,0,1]=4 1613 B12R1.220 CC(=CCCN[C@H]1C[C@@H](C1)O)C 2230a_100020629032_100011217483 [0,0,0,1,0,1|0,0,2]=4 1614 B12R1.220 CC(=CCCSC1CC(=O)C1)C 62a_100009894365_100011217483 [0,0,0,1,0,1|0,0,0]=2 1615 B12R1.220 CC(=CCNCC1CC(C1)O)C 2230a_100016992100_100000761012 [0,0,0,1,0,1|0,0,2]=4 1616 B12R1.220 CC(=CCOCC1CC(=O)C1)C 34a_100000101936_100000761012 [0,0,0,1,0,1|0,0,0]=2 1617 B12R1.220 CC(=CCOCC1CC(C1)Cl)C 34a_100009874164_100000761012 [0,0,0,1,0,1|1,0,1]=4 1618 B12R1.220 CC(=CCSCC1CC(=O)C1)C 62a_100000761012_100009874392 [0,0,0,1,0,1|0,0,0]=2 1619 B12R1.220 CC(=CCSCC1CC(=O)C1)C 62a_100009874392_100000761012 [0,0,0,1,0,1|0,0,0]=2 1620 B12R1.220 CC(=O)CCCSC1CC(=O)C1 62a_100009894365_100011215641 [0,0,0,1,0,1|1,0,1]=4 1621 B12R1.220 CC(=O)CCOCC1CC(=O)C1 7a_100000759926_100009874392 [0,0,0,1,0,1|1,0,1]=4 1622 B12R1.220 CC(=O)CCSCC1CC(=O)C1 62a_100000053229_100009874392 [0,0,0,1,0,1|1,0,1]=4 1623 B12R1.220 CC(=O)CCSCC1CC(=O)C1 62a_100009874392_100000053229 [0,0,0,1,0,1|1,0,1]=4 1624 B12R1.220 CC(=O)NCCSC1CC(=O)C1 62a_100009894365_100000189650 [0,0,0,1,0,1|2,0,0]=4 1625 B12R1.220 CC(=O)OCCSC1CC(=O)C1 62a_100009894365_100009814007 [0,0,0,1,0,1|2,0,0]=4 1626 B12R1.220 CC(=O)OCOCC1CC(=O)C1 34a_100000101936_100009813279 [0,0,0,1,0,1|2,0,0]=4 1627 B12R1.220 CC(=O)OCSCC1CC(=O)C1 62a_100000076356_100009874392 [0,0,0,1,0,1|2,0,0]=4 1628 B12R1.220 CC(=O)OCSCC1CC(=O)C1 62a_100009874392_100000076356 [0,0,0,1,0,1|2,0,0]=4 1629 B12R1.220 CC(C)CCCSC1CC(=O)C1 62a_100009894365_100011214892 [0,0,0,1,0,1|0,0,2]=4 1630 B12R1.220 CC(C)CCOCC1CC(=O)C1 34a_100000101936_100000210312 [0,0,0,1,0,1|0,0,2]=4 1631 B12R1.220 CC(C)CCOCC1CC(=O)C1 7a_100000210254_100009874392 [0,0,0,1,0,1|0,0,2]=4 1632 B12R1.220 CC(C)CCSCC1CC(=O)C1 62a_100000210312_100009874392 [0,0,0,1,0,1|0,0,2]=4 1633 B12R1.220 CC(C)CCSCC1CC(=O)C1 62a_100009874392_100000210312 [0,0,0,1,0,1|0,0,2]=4 1634 B12R1.220 CC(C)OCCSC1CC(=O)C1 62a_100009894365_100000211751 [0,0,0,1,0,1|1,0,1]=4 1635 B12R1.220 CC(C)OCOCC1CC(=O)C1 34a_100000101936_100000709892 [0,0,0,1,0,1|1,0,1]=4 1636 B12R1.220 CC(C)OCSCC1CC(=O)C1 62a_100000709892_100009874392 [0,0,0,1,0,1|1,0,1]=4 1637 B12R1.220 CC(C)OCSCC1CC(=O)C1 62a_100009874392_100000709892 [0,0,0,1,0,1|1,0,1]=4 1638 B12R1.220 CC(C)SCCSC1CC(=O)C1 62a_100009894365_100000730970 [0,0,0,1,0,1|1,0,1]=4 1639 B12R1.220 CN(C)CCCSC1CC(=O)C1 62a_100009894365_100000757444 [0,0,0,1,0,1|1,0,1]=4 1640 B12R1.220 CN(C)CCSCC1CC(=O)C1 62a_100009874392_100000755713 [0,0,0,1,0,1|1,0,1]=4 1641 B12R1.220 O=C1CC(C1)SCCC=C(F)F 62a_100009894365_200009816681 [0,0,0,1,0,1|2,0,0]=4 1642 B12R1.226 CC(=CCN1CCC[C@@H](C1)C)C 2230a_100000717927_100000761012 [0,0,0,1,0,1|1,0,1]=4 1643 B12R1.226 CC(=CCN1CCC[C@@H](C1)C)C 269982a_100000717927_100000761012 [0,0,0,1,0,1|1,0,1]=4 1644 B12R1.226 CC(=CCN1CCC[C@@H](C1)C)C 34a_100000717927_100000761012 [0,0,0,1,0,1|1,0,1]=4 1645 B12R1.255 CC(=CCCNC1CC=CC1)C 2230a_100015188752_100011217483 [0,0,0,1,0,1|1,0,0]=3 1646 B12R1.255 CC(=CCCNC1CCCC1)C 2230a_100000211070_100011217483 [0,0,0,1,0,1|1,0,1]=4 1647 B12R1.255 CC(=CCCNC1CCCC1)C 34a_100000211070_100011217483 [0,0,0,1,0,1|1,0,1]=4 1648 B12R1.255 CC(=CCCN[C@@H]1CCOC1)C 2230a_200015188469_100011217483 [0,0,0,1,0,1|0,0,2]=4 1649 B12R1.255 CC(=CCCN[C@H]1CCOC1)C 2230a_100015188467_100011217483 [0,0,0,1,0,1|0,0,2]=4 1650 B12R1.255 CC(=CCCN[C@H]1CCOC1)C 34a_100015188467_100011217483 [0,0,0,1,0,1|0,0,2]=4 1651 B12R1.255 CC(=CCCOC1CCCC1)C 34a_100000210269_100011217483 [0,0,0,1,0,1|1,0,1]=4 1652 B12R1.255 CC(=CCCOC1CCCC1)C 7a_100000210269_100011217483 [0,0,0,1,0,1|1,0,1]=4 1653 B12R1.255 CC(=CCCOC1CCSC1)C 7a_100011232664_100011217483 [0,0,0,1,0,1|0,1,1]=4 1654 B12R1.255 CC(=CCCO[C@H]1CCOC1)C 34a_100000717292_100011217483 [0,0,0,1,0,1|0,0,2]=4 1655 B12R1.255 CC(=CCCSC1CCCC1)C 62a_100011217020_100011217483 [0,0,0,1,0,1|1,0,1]=4 1656 B12R1.255 CC(=CCCSC1CCCC1)C 62a_100011217483_100000179811 [0,0,0,1,0,1|1,0,1]=4 1657 B12R1.255 CC(=CCCSC1CCOC1)C 62a_100011217483_100000690089 [0,0,0,1,0,1|0,0,2]=4 1658 B12R1.255 CC(=CCNCC1CCCC1)C 2230a_100000737975_100000761012 [0,0,0,1,0,1|1,0,1]=4 1659 B12R1.255 CC(=CCNCC1CCCC1)C 34a_100000718196_100000740388 [0,0,0,1,0,1|1,0,1]=4 1660 B12R1.255 CC(=CCNCC1CCCC1)C 34a_100000737975_100000761012 [0,0,0,1,0,1|1,0,1]=4 1661 B12R1.255 CC(=CCNCC1CCOC1)C 2230a_100000737293_100000761012 [0,0,0,1,0,1|0,0,2]=4 1662 B12R1.255 CC(=CCNCC1CCOC1)C 34a_100000718196_100011261433 [0,0,0,1,0,1|0,0,2]=4 1663 B12R1.255 CC(=CCNCC1CCOC1)C 34a_100000737293_100000761012 [0,0,0,1,0,1|0,0,2]=4 1664 B12R1.255 CC(=CCOCC1CC=CC1)C 34a_100000688395_100000761012 [0,0,0,1,0,1|1,0,0]=3 1665 B12R1.255 CC(=CCOCC1CCCC1)C 34a_100000742336_100000761012 [0,0,0,1,0,1|1,0,1]=4 1666 B12R1.255 CC(=CCOCC1CCCC1)C 34a_100000753907_100000740388 [0,0,0,1,0,1|1,0,1]=4 1667 B12R1.255 CC(=CCOCC1CCCC1)C 7a_100000742336_100000761012 [0,0,0,1,0,1|1,0,1]=4 1668 B12R1.255 CC(=CCOCC1CCNC1)C 34a_100000748654_100000761012 [0,0,0,1,0,1|1,0,1]=4 1669 B12R1.255 CC(=CCOCC1CCOC1)C 34a_100000740260_100000761012 [0,0,0,1,0,1|0,0,2]=4 1670 B12R1.255 CC(=CCOCC1CCOC1)C 34a_100000753907_100011261433 [0,0,0,1,0,1|0,0,2]=4 1671 B12R1.255 CC(=CCSCC1CCCC1)C 62a_100000740388_100000761012 [0,0,0,1,0,1|1,0,1]=4 1672 B12R1.255 CC(=CCSCC1CCCC1)C 62a_100000761012_100000740388 [0,0,0,1,0,1|1,0,1]=4 1673 B12R1.255 CC(=CCSCC1CCOC1)C 62a_100000702531_100000761012 [0,0,0,1,0,1|0,0,2]=4 1674 B12R1.255 CC(=CCSCC1CCOC1)C 62a_100000761012_100000702531 [0,0,0,1,0,1|0,0,2]=4 1675 B12R1.1356 CC(=CCCNC(C)C1CC1)C 2230a_100000700016_100011217483 [0,0,0,1,0,1|1,0,1]=4 1676 B12R1.1356 CC(=CCCNC(C)C1CC1)C 34a_100000700016_100011217483 [0,0,0,1,0,1|1,0,1]=4 1677 B12R1.1356 CC(=CCCOC(C)C1CC1)C 34a_100000744524_100011217483 [0,0,0,1,0,1|1,0,1]=4 1678 B12R1.1356 CC(=CCCOC(C)C1CC1)C 7a_100000744524_100011217483 [0,0,0,1,0,1|1,0,1]=4 1679 B12R1.2795 CC(=CCCNC1(CCC1)C)C 2230a_100000692455_100011217483 [0,0,0,1,0,1|1,0,1]=4 1680 B12R1.2795 CC(=CCCNC1(CCC1)C)C 34a_100000692455_100011217483 [0,0,0,1,0,1|1,0,1]=4 1681 B12R1.2795 CC(=CCCNC1(COC1)C)C 2230a_100000732644_100011217483 [0,0,0,1,0,1|2,0,0]=4 1682 B12R1.2795 CC(=CCCOC1(CCC1)C)C 34a_100000759064_100011217483 [0,0,0,1,0,1|1,0,1]=4 1683 B12R1.2795 CC(=CCCOC1(CCC1)C)C 7a_100000759064_100011217483 [0,0,0,1,0,1|1,0,1]=4 1684 B12R1.2795 CC(=CCCOC1(CSC1)C)C 7a_100016018533_100011217483 [0,0,0,1,0,1|2,0,0]=4 1685 B12R1.2795 CC(=CCNCC1(CCC1)C)C 2230a_100000706607_100000761012 [0,0,0,1,0,1|1,0,1]=4 1686 B12R1.2795 CC(=CCNCC1(CCC1)C)C 34a_100000718196_100000726658 [0,0,0,1,0,1|1,0,1]=4 1687 B12R1.2795 CC(=CCNCC1(COC1)C)C 2230a_100020631278_100000761012 [0,0,0,1,0,1|2,0,0]=4 1688 B12R1.2795 CC(=CCNCC1(COC1)C)C 34a_100000718196_100009817586 [0,0,0,1,0,1|2,0,0]=4 1689 B12R1.2795 CC(=CCOCC1(CCC1)C)C 34a_100000753907_100000726658 [0,0,0,1,0,1|1,0,1]=4 1690 B12R1.2795 CC(=CCOCC1(COC1)C)C 34a_100000753907_100009817586 [0,0,0,1,0,1|2,0,0]=4 1691 B12R1.2795 CC(=CCOCC1(CSC1)C)C 34a_100000732658_100000761012 [0,0,0,1,0,1|2,0,0]=4 1692 B12R1.2795 CC(=CCOCC1(CSC1)C)C 7a_100000732658_100000761012 [0,0,0,1,0,1|2,0,0]=4 1693 B12R1.2795 CC(=CCSCC1(CCC1)C)C 62a_100000726658_100000761012 [0,0,0,1,0,1|1,0,1]=4 1694 B12R1.2795 CC(=CCSCC1(CCC1)C)C 62a_100000761012_100000726658 [0,0,0,1,0,1|1,0,1]=4 1695 B12R1.2795 CC(=CCSCC1(COC1)C)C 62a_100000761012_100009817586 [0,0,0,1,0,1|2,0,0]=4 1696 B12R1.2795 CC(=CCSCC1(COC1)C)C 62a_100009817586_100000761012 [0,0,0,1,0,1|2,0,0]=4 1697 B12R1.1061 CC(=CC(=O)CC1CC(=O)C1)C 1458a_100000211388_100009874392 [0,1,0,1,0,0|0,0,1]=3 1698 B12R1.1061 CC(=CC(=O)CC1CC(=O)C1)Cl 1458a_200042562850_100009874392 [0,1,0,1,0,0|1,0,1]=4 1699 B12R1.1061 CC(=CC(=O)CC1CC(=O)C1)I 1458a_100025716642_100009874392 [0,1,0,1,0,0|1,0,1]=4 1700 B12R1.105 CC(=CCCN1CNC(=O)C1)C 2230a_200000708111_100011217483 [0,1,0,1,0,0|1,0,0]=3 1701 B12R1.105 CC(=CCNC1CNC(=O)C1)C 2230a_100000697751_100000761012 [0,1,0,1,0,0|1,0,0]=3 1702 B12R1.105 CC(=CCNC1COC(=O)O1)C 34a_100000718196_100000032252 [0,1,0,1,0,0|2,0,0]=4 1703 B12R1.105 CC(=CCOC1CCC(=O)C1)C 34a_100012614533_100000761012 [0,1,0,1,0,0|1,0,0]=3 1704 B12R1.105 CC(=CCOC1CNC(=O)C1)C 34a_100000690082_100000761012 [0,1,0,1,0,0|1,0,0]=3 1705 B12R1.105 CC(=CCOC1COC(=O)O1)C 34a_100000753907_100000032252 [0,1,0,1,0,0|2,0,0]=4 1706 B12R1.105 CC(=CCSC1COC(=O)O1)C 62a_100000761012_100000032252 [0,1,0,1,0,0|2,0,0]=4 1707 B12R1.389 CC(=O)CC1CCN(C1)C(C)C 1458a_100000070787_100015187125 [0,1,0,1,0,0|1,0,1]=4 1708 B12R1.389 CC(C)N1CCC(C1)CC(=O)O 269956a_100000719201_100000210206 [0,1,0,1,0,0|1,0,1]=4 1709 B12R1.1359 CC(=CCCC(C)OC1CC1)C 34a_100102619829_100000211595 [0,1,0,1,0,0|1,0,1]=4 1710 B12R1.1810 CC(=CCNC1CS(=O)(=O)C1)C 2230a_100000695474_100000761012 [0,1,0,1,0,0|2,0,0]=4 1711 B12R1.1810 CC(=CCNC1CS(=O)(=O)C1)C 34a_100000695474_100000761012 [0,1,0,1,0,0|2,0,0]=4 1712 B12R1.1810 CC(=CCOC1CS(=O)(=O)C1)C 34a_100000072295_100000761012 [0,1,0,1,0,0|2,0,0]=4 1713 B12R1.1810 CC(=CCOC1CS(=O)(=O)C1)C 7a_100000072295_100000761012 [0,1,0,1,0,0|2,0,0]=4 1714 B12R1.252 CC(=CCCN1CC=CCC1)C 2230a_100000698166_100011217483 [0,1,0,1,0,0|2,0,0]=4 1715 B12R1.252 CC(=CCCN1CC=CCC1)C 269982a_100000698166_100011217483 [0,1,0,1,0,0|2,0,0]=4 1716 B12R1.252 CC(=CCCN1CC=CCC1)C 34a_100000698166_100011217483 [0,1,0,1,0,0|2,0,0]=4 1717 B12R1.252 CC(=CCOC1CC=CCC1)C 34a_100000073881_100000761012 [0,1,0,1,0,0|2,0,0]=4 1718 B12R1.54 CC(=CCC(=O)C1CC=CC1)C 1458a_100000759439_100000761012 [0,1,0,1,0,0|1,0,1]=4 1719 B12R1.221 C=C1CC(C1)C(=O)CC=C(C)C 1458a_100000065620_100000761012 [0,1,0,1,0,0|1,0,1]=4 1720 B12R1.221 CC(=CCC(=O)[C@@H]1CC(=O)N1)C 1458a_100016090685_100000761012 [0,1,0,1,0,0|1,0,1]=4 1721 B12R1.824 CN(C)C(=O)C1CN(C1)CC=O 34a_100015411772_200009817547 [0,1,0,1,0,0|2,0,0]=4 1722 B12R1.864 C=C(C)C(=O)C1CC(OC1=O)C 1458a_100000185857_200000216747 [0,1,0,1,0,0|1,0,1]=4 1723 B12R1.864 CC1CC(C(=O)O1)C(=O)C(C)C 1458a_100000210198_200000216747 [0,1,0,1,0,0|1,0,1]=4 1724 B12R1.1039 CC(=O)C(=O)CSC1CC(=O)C1 62a_100009894365_100011261029 [0,1,0,1,0,0|2,0,0]=4 1725 B12R1.1039 CC(C)C(=O)CSC1CC(=O)C1 62a_100009894365_100000753385 [0,1,0,1,0,0|1,0,1]=4 1726 B12R1.1039 CN(C)C(=O)CSC1CC(=O)C1 62a_100009894365_100000692301 [0,1,0,1,0,0|2,0,0]=4 1727 B12R1.1096 CN1CCN(CCC1=O)CC=O 2230a_100020591582_200015260668 [0,1,0,1,0,0|2,0,0]=4 1728 B12R1.1096 CN1CCN(CCC1=O)CC=O 269982a_100020591582_200015260668 [0,1,0,1,0,0|2,0,0]=4 1729 B12R1.1096 CN1CCN(CCC1=O)CC=O 34a_100020591582_200009817547 [0,1,0,1,0,0|2,0,0]=4 1730 B12R1.337 CC(=O)N1CCC(C1)NCC=O 2230a_100000705975_200015260668 [0,1,0,1,0,0|2,0,0]=4 1731 B12R1.337 CC(=O)N1CC[C@@H](C1)OCC=O 7a_100012000934_200015260668 [0,1,0,1,0,0|2,0,0]=4 1732 B12R1.337 CC(C)N1CCC(C1)NCC=O 2230a_100000746141_200015260668 [0,1,0,1,0,0|1,0,1]=4 1733 B12R1.887 CC1(CC(CCO1)NCC=O)C 2230a_100000696200_200015260668 [0,1,0,1,0,0|1,0,1]=4 1734 B12R1.887 CC1(CC(CCO1)OCC=O)C 34a_100000693217_200009817547 [0,1,0,1,0,0|1,0,1]=4 1735 B12R1.887 CC1(CC(CCO1)OCC=O)C 7a_100000693217_200015260668 [0,1,0,1,0,0|1,0,1]=4 1736 B12R1.887 CC1(CC(CCO1)SCC=O)C 62a_100010191092_200015260668 [0,1,0,1,0,0|1,0,1]=4 1737 B12R1.887 CC1(CC(CCO1)SCC=O)C 62a_200015260668_100010191092 [0,1,0,1,0,0|1,0,1]=4 1738 B12R1.887 CC1(CCCC(C1)OCC=O)C 7a_100011995757_200015260668 [0,1,0,1,0,0|0,0,2]=4 1739 B8R0.9 CCC(C)CCC(=O)C 1458a_100000701222_200000210301 [1,0,0,0,1,0|1,0,1]=4 1740 B8R0.9 CCC(C)CCC(=O)[13CH3] 1458a_100000701222_200025704644 [1,0,0,0,1,0|1,0,1]=4 1741 B8R0.9 CCN(C)CC=C(C)C 2230a_100000225621_100000761012 [1,0,0,0,1,0|1,0,1]=4 1742 B8R0.9 CCN(C)CC=C(C)C 269982a_100000225621_100000761012 [1,0,0,0,1,0|1,0,1]=4 1743 B8R0.5 C=C(C)CN(C)CC=O 2230a_100000225649_200015260668 [0,0,0,0,2,0|1,0,1]=4 1744 B8R0.5 C=C(C)CN(C)CC=O 269982a_100000225649_200015260668 [0,0,0,0,2,0|1,0,1]=4 1745 B8R0.5 CC(C)CN(C)CC=O 2230a_100000747067_200015260668 [0,0,0,0,2,0|1,0,1]=4 1746 B8R0.5 CC(C)CN(C)CC=O 269982a_100000747067_200015260668 [0,0,0,0,2,0|1,0,1]=4 1747 B12R0.277 C=CCC(C)COCCC=C(C)C 34a_100009832082_100011217483 [0,0,0,0,0,2|1,0,0]=3 1748 B12R0.277 C=CCC(C)COCCC=C(C)C 7a_100009832082_100011217483 [0,0,0,0,0,2|1,0,0]=3 1749 B12R0.277 C=CC[C@@H](N)COCCC=C(C)C 34a_100020615467_100011217483 [0,0,0,0,0,2|2,0,0]=4 1750 B12R0.277 CC(=CCCOCC(C)CCN)C 34a_106354213184_100011217483 [0,0,0,0,0,2|1,0,1]=4 1751 B12R0.277 CCCC(C)CCOCC=C(C)C 34a_100011217855_100000761012 [0,0,0,0,0,2|1,0,1]=4 1752 B12R0.277 CCCC(C)CCOCC=C(C)C 7a_100011217855_100000761012 [0,0,0,0,0,2|1,0,1]=4 1753 B12R0.277 CCCC(C)COCCC=C(C)C 34a_100000688023_100011217483 [0,0,0,0,0,2|1,0,1]=4 1754 B12R0.277 CCCC(C)COCCC=C(C)C 7a_100000688023_100011217483 [0,0,0,0,0,2|1,0,1]=4 1755 B12R0.277 CCCC(C)CSCCC=C(C)C 62a_100011216630_100011217483 [0,0,0,0,0,2|1,0,1]=4 1756 B12R0.277 CCCC(C)CSCCC=C(C)C 62a_100011217483_100011216630 [0,0,0,0,0,2|1,0,1]=4