0 B9R0.1 C#CC(=O)CCC=C(C)C 1458a_100000211873_100011217483 [0,0,0,0,0,0|1,0,2]=3 1 B9R0.1 C=CC(=O)CCC=C(C)C 1458a_100000185746_100011217483 [0,0,0,0,0,0|1,0,0]=1 2 B9R0.1 C=CC(=O)CCC=C(F)F 1458a_100000185746_200009816681 [0,0,0,0,0,0|3,0,0]=3 3 B9R0.1 C=CC(=O)CCCC(=O)C 1458a_100000185746_100011215641 [0,0,0,0,0,0|2,0,1]=3 4 B9R0.1 C=CC(=O)CCCC(=O)N 1458a_100000185746_100102525003 [0,0,0,0,0,0|3,0,1]=4 5 B9R0.1 C=CC(=O)CCCC(C)C 1458a_100000185746_100011214892 [0,0,0,0,0,0|1,0,2]=3 6 B9R0.1 C=CC(=O)CCCC(C)O 1458a_100000185746_200000718107 [0,0,0,0,0,0|2,0,2]=4 7 B9R0.1 C=CC(=O)CCCN(C)C 1458a_100000185746_100000695564 [0,0,0,0,0,0|2,0,1]=3 8 B9R0.1 C=CC(=O)CCNC(=O)C 1458a_100000185746_100000189650 [0,0,0,0,0,0|3,0,0]=3 9 B9R0.1 C=CC(=O)CCNC(=O)N 1458a_100000185746_200000034859 [0,0,0,0,0,0|4,0,0]=4 10 B9R0.1 C=CC(=O)CCOC(=O)C 1458a_100000185746_100009814007 [0,0,0,0,0,0|3,0,0]=3 11 B9R0.1 C=CC(=O)CCOC(=O)N 1458a_100000185746_200011214921 [0,0,0,0,0,0|4,0,0]=4 12 B9R0.1 C=CC(=O)CCOC(C)C 1458a_100000185746_100000211751 [0,0,0,0,0,0|2,0,1]=3 13 B9R0.1 C=CC(=O)CCSC(C)C 1458a_100000185746_100000730970 [0,0,0,0,0,0|2,0,1]=3 14 B9R0.1 C=CC(=O)NCC=C(C)C 1626a_100000718196_100000185746 [0,0,0,0,0,0|2,0,0]=2 15 B9R0.1 C=CC(=O)NCCC(C)C 1626a_100000210545_100000185746 [0,0,0,0,0,0|2,0,2]=4 16 B9R0.1 C=CC(=O)NCCC(C)C 240690a_100000210545_200121576911 [0,0,0,0,0,0|2,0,2]=4 17 B9R0.1 C=CC(=O)NCCN(C)C 240690a_100000210585_200121576911 [0,0,0,0,0,0|3,0,1]=4 18 B9R0.1 C=CC(=O)OCCC(=O)C 1458a_100000065099_200000210301 [0,0,0,0,0,0|3,0,1]=4 19 B9R0.1 C=CC(=O)OCCC(=O)C 1458a_100000070787_100009813456 [0,0,0,0,0,0|3,0,1]=4 20 B9R0.1 C=CC(=O)OCCC(=O)[13CH3] 1458a_100000065099_200025704644 [0,0,0,0,0,0|3,0,1]=4 21 B9R0.1 C=CC(=O)OCCN(C)C 2230a_100102631434_100009813456 [0,0,0,0,0,0|3,0,1]=4 22 B9R0.1 C=CC(=O)OCCN(C)C 269982a_100102631434_100009813456 [0,0,0,0,0,0|3,0,1]=4 23 B9R0.1 C=CC(C)OCC=C(C)C 34a_100000695699_100000761012 [0,0,0,0,0,0|1,0,2]=3 24 B9R0.1 C=CC(C)SCC=C(C)C 62a_100011215867_100000761012 [0,0,0,0,0,0|1,0,2]=3 25 B9R0.1 CC(=CCCC(=O)CO)C 1458a_100000210174_100011217483 [0,0,0,0,0,0|2,0,1]=3 26 B9R0.1 CC(=CCCC(C)O[13CH3])C 34a_100102619829_200025704644 [0,0,0,0,0,0|1,0,3]=4 27 B9R0.1 CC(=CCCC(C)O[13CH3])C 7a_100102619829_200025704644 [0,0,0,0,0,0|1,0,3]=4 28 B9R0.1 CC(=CCNC(=O)CO)C 527a_100000718196_100000210174 [0,0,0,0,0,0|3,0,1]=4 29 B9R0.1 CCC(=O)CCC=C(C)C 1458a_100000210414_100011217483 [0,0,0,0,0,0|1,0,2]=3 30 B9R0.1 CCC(=O)NCC=C(C)C 11a_100000718196_100000210414 [0,0,0,0,0,0|2,0,2]=4 31 B9R0.1 CCC(=O)NCC=C(C)C 1626a_100000718196_100000210414 [0,0,0,0,0,0|2,0,2]=4 32 B9R0.1 CCC(=O)NCC=C(C)C 527a_100000718196_100000210414 [0,0,0,0,0,0|2,0,2]=4 33 B9R0.1 CCN(C)CCC=C(C)C 2230a_100000225621_100011217483 [0,0,0,0,0,0|1,0,3]=4 34 B9R0.1 CCN(C)CCC=C(C)C 269982a_100000225621_100011217483 [0,0,0,0,0,0|1,0,3]=4 35 B9R0.1 CNC(=O)NCC=C(C)C 2708a_100000718196_106832991635 [0,0,0,0,0,0|3,0,1]=4 36 B9R0.1 CNC(=O)NCC=C(C)C 2708a_100102657272_100000718196 [0,0,0,0,0,0|3,0,1]=4 37 B9R0.1 CNC(=O)NCC=C(C)C 273464a_100000718196_100102657272 [0,0,0,0,0,0|3,0,1]=4 38 B9R0.1 CNC(=O)NCC=C(C)C 273464a_100102657272_100000718196 [0,0,0,0,0,0|3,0,1]=4 39 B9R0.1 CNC(=O)NCC=C(C)C 512a_100000718196_100102657272 [0,0,0,0,0,0|3,0,1]=4 40 B9R0.1 CNC(=O)NCC=C(C)C 512a_106832991638_100000718196 [0,0,0,0,0,0|3,0,1]=4 41 B9R0.1 CNC(C)CCC=C(C)C 270004a_106832991635_100000765506 [0,0,0,0,0,0|1,0,3]=4 42 B9R0.1 COC(C)CCC=C(C)C 34a_100102619829_200000210301 [0,0,0,0,0,0|1,0,3]=4 43 B9R0.1 COC(C)CCC=C(C)C 7a_100102619829_200000210301 [0,0,0,0,0,0|1,0,3]=4 44 B8R0.6 C=CC(=O)C/C=C\CC 1458a_100000185746_100103147603 [1,0,0,0,0,0|1,0,2]=4 45 B8R0.6 C=CC(=O)CCCCC 1458a_100000185746_100000210326 [1,0,0,0,0,0|1,0,2]=4 46 B8R0.6 C=CC(=O)CCCOC 1458a_100000185746_100000740836 [1,0,0,0,0,0|2,0,1]=4 47 B8R0.6 C=CC(=O)CCOCC 1458a_100000185746_100011215890 [1,0,0,0,0,0|2,0,1]=4 48 B8R0.6 C=CC(=O)CCSCC 1458a_100000185746_100000757381 [1,0,0,0,0,0|2,0,1]=4 49 B8R0.6 C=CC(C)OC/C=C/C 34a_100000695699_100102629194 [1,0,0,0,0,0|1,0,2]=4 50 B8R0.6 C=CC(C)OCC=CC 34a_100000695699_100000070051 [1,0,0,0,0,0|1,0,2]=4 51 B8R0.6 C=CC(C)SC/C=C/C 62a_100011215867_100102629194 [1,0,0,0,0,0|1,0,2]=4 52 B8R0.6 C=CC(C)SCC=CC 62a_100011215867_100000070051 [1,0,0,0,0,0|1,0,2]=4 53 B8R0.6 C=CCCCC(=O)C=C 1458a_100000185746_100000757094 [1,0,0,0,0,0|1,0,2]=4 54 B8R0.6 C=COCCC(=O)C=C 1458a_100000185746_100000039644 [1,0,0,0,0,0|2,0,1]=4 55 B8R0.7 C/C=C/CCOC(C)C 34a_100016278192_100000210206 [1,0,0,0,0,0|1,0,2]=4 56 B8R0.7 C=CCCCCC(=O)C 1458a_100000070787_100011215482 [1,0,0,0,0,0|1,0,2]=4 57 B8R0.7 C=CCCCCC(=O)C 1458a_100011215552_200000210301 [1,0,0,0,0,0|1,0,2]=4 58 B8R0.7 C=CCCCCC(=O)[13CH3] 1458a_100011215552_200025704644 [1,0,0,0,0,0|1,0,2]=4 59 B8R0.7 C=CCCCCN(C)C 2230a_100012000471_200000210301 [1,0,0,0,0,0|1,0,2]=4 60 B8R0.7 C=CCCCCN(C)C 2230a_100102631434_100011215482 [1,0,0,0,0,0|1,0,2]=4 61 B8R0.7 C=CCCCCN(C)C 269982a_100012000471_200000210301 [1,0,0,0,0,0|1,0,2]=4 62 B8R0.7 C=CCCCCN(C)C 269982a_100102631434_100011215482 [1,0,0,0,0,0|1,0,2]=4 63 B8R0.7 C=CCCCCN(C)[13CH3] 2230a_100012000471_200025704644 [1,0,0,0,0,0|1,0,2]=4 64 B8R0.7 C=CCCCCN(C)[13CH3] 269982a_100012000471_200025704644 [1,0,0,0,0,0|1,0,2]=4 65 B8R0.7 C=CCCCNC(=O)C 11a_100000700776_100015343762 [1,0,0,0,0,0|2,0,1]=4 66 B8R0.7 C=CCCCNC(=O)C 1626a_100000700776_100015343762 [1,0,0,0,0,0|2,0,1]=4 67 B8R0.7 C=CCCCNC(=O)C 240690a_100000700776_100015343762 [1,0,0,0,0,0|2,0,1]=4 68 B8R0.7 C=CCCCNC(=O)C 527a_100000700776_100103153847 [1,0,0,0,0,0|2,0,1]=4 69 B8R0.7 C=CCCCNC(C)C 2230a_100000700776_100000210206 [1,0,0,0,0,0|1,0,2]=4 70 B8R0.7 C=CCCCNC(C)C 2230a_100138425928_100011713584 [1,0,0,0,0,0|1,0,2]=4 71 B8R0.7 C=CCCCNC(C)C 34a_100000700776_100000210206 [1,0,0,0,0,0|1,0,2]=4 72 B8R0.7 C=CCCCNC(C)C 34a_100138425928_100000757094 [1,0,0,0,0,0|1,0,2]=4 73 B8R0.7 C=CCCCOC(C)C 34a_100000212225_100000757094 [1,0,0,0,0,0|1,0,2]=4 74 B8R0.7 C=CCCCOC(C)C 34a_100000758997_100000210206 [1,0,0,0,0,0|1,0,2]=4 75 B8R0.7 C=CCCCOC(C)C 7a_100000758997_100000210206 [1,0,0,0,0,0|1,0,2]=4 76 B8R0.7 C=CCCCSC(C)C 62a_100000210206_100000757094 [1,0,0,0,0,0|1,0,2]=4 77 B8R0.7 C=CCCCSC(C)C 62a_100011713584_100000210206 [1,0,0,0,0,0|1,0,2]=4 78 B8R0.7 C=CCNCC=C(C)C 2230a_100020586998_100000761012 [1,0,0,0,0,0|1,0,1]=3 79 B8R0.7 C=CCNCC=C(C)C 34a_100000718196_100015514636 [1,0,0,0,0,0|1,0,1]=3 80 B8R0.7 C=CCOCC=C(C)C 34a_100000753907_100015514636 [1,0,0,0,0,0|1,0,1]=3 81 B8R0.7 C=CCOCC=C(C)C 34a_200000210373_100000761012 [1,0,0,0,0,0|1,0,1]=3 82 B8R0.7 C=CCSCC=C(C)C 62a_100000210623_100000761012 [1,0,0,0,0,0|1,0,1]=3 83 B8R0.7 C=CCSCC=C(C)C 62a_100000761012_100000210623 [1,0,0,0,0,0|1,0,1]=3 84 B8R0.7 C=COCCNC(C)C 2230a_100138425928_100000039644 [1,0,0,0,0,0|2,0,1]=4 85 B8R0.7 C=COCCNC(C)C 34a_100138425928_100000039644 [1,0,0,0,0,0|2,0,1]=4 86 B8R0.7 C=COCCOC(C)C 34a_100000033082_100000210206 [1,0,0,0,0,0|2,0,1]=4 87 B8R0.7 C=COCCOC(C)C 34a_100000212225_100000039644 [1,0,0,0,0,0|2,0,1]=4 88 B8R0.7 C=COCCSC(C)C 62a_100000039644_100000210206 [1,0,0,0,0,0|2,0,1]=4 89 B8R0.7 C=COCCSC(C)C 62a_100000210206_100000039644 [1,0,0,0,0,0|2,0,1]=4 90 B8R0.7 CC(=CCCSCF)C 62a_100011217483_100015361967 [1,0,0,0,0,0|2,0,1]=4 91 B8R0.7 CC(=CCCSCF)C 62a_100015361967_100011217483 [1,0,0,0,0,0|2,0,1]=4 92 B8R0.7 CC(=CCNCC=O)C 34a_100000718196_200009817547 [1,0,0,0,0,0|2,0,1]=4 93 B8R0.7 CC(=CCOCC=O)C 34a_100000753907_200009817547 [1,0,0,0,0,0|2,0,1]=4 94 B8R0.7 CC(=CCSCC=O)C 62a_100000761012_200015260668 [1,0,0,0,0,0|2,0,1]=4 95 B8R0.7 CC(=CCSCC=O)C 62a_200015260668_100000761012 [1,0,0,0,0,0|2,0,1]=4 96 B8R0.7 CCNCCC=C(C)C 2230a_100015525214_100011217483 [1,0,0,0,0,0|1,0,2]=4 97 B8R0.7 CCOCCC=C(C)C 34a_100121572206_100011217483 [1,0,0,0,0,0|1,0,2]=4 98 B8R0.7 CCSCCC=C(C)C 62a_100000210202_100011217483 [1,0,0,0,0,0|1,0,2]=4 99 B8R0.7 CCSCCC=C(C)C 62a_100011217483_100000210202 [1,0,0,0,0,0|1,0,2]=4 100 B8R0.28 C=C(Br)CCOC(C)C 34a_100009813270_100000210206 [1,0,0,0,0,0|2,0,1]=4 101 B8R0.28 C=C(C)CCNC(C)C 2230a_100138425928_100000730704 [1,0,0,0,0,0|1,0,2]=4 102 B8R0.28 C=C(C)CCNC(C)C 34a_100138425928_100000730704 [1,0,0,0,0,0|1,0,2]=4 103 B8R0.28 C=C(C)CCOC(C)C 34a_100000212225_100000730704 [1,0,0,0,0,0|1,0,2]=4 104 B8R0.28 C=C(C)CCOC(C)C 34a_100000764851_100000210206 [1,0,0,0,0,0|1,0,2]=4 105 B8R0.28 C=C(C)CCSC(C)C 62a_100000210206_100000730704 [1,0,0,0,0,0|1,0,2]=4 106 B8R0.28 C=C(C)CCSC(C)C 62a_100000730704_100000210206 [1,0,0,0,0,0|1,0,2]=4 107 B8R0.28 CC(=CCCN(C)C)C 2230a_100102631434_100011217483 [1,0,0,0,0,0|1,0,2]=4 108 B8R0.28 CC(=CCCN(C)C)C 269982a_100102631434_100011217483 [1,0,0,0,0,0|1,0,2]=4 109 B8R0.28 CC(=O)CCC=C(C)C 1458a_100000070787_100011217483 [1,0,0,0,0,0|1,0,1]=3 110 B8R0.28 CC(=O)NCC=C(C)C 11a_100000718196_100015343762 [1,0,0,0,0,0|2,0,1]=4 111 B8R0.28 CC(=O)NCC=C(C)C 1626a_100000718196_100015343762 [1,0,0,0,0,0|2,0,1]=4 112 B8R0.28 CC(=O)NCC=C(C)C 527a_100000718196_100103153847 [1,0,0,0,0,0|2,0,1]=4 113 B10R0.3 C#CCC(=O)CCC=C(C)C 1458a_100011220946_100011217483 [0,1,0,0,0,0|1,0,2]=4 114 B10R0.3 C/C=C/C(C)OCC=C(C)C 34a_200102604097_100000761012 [0,1,0,0,0,0|1,0,2]=4 115 B10R0.3 C=CCC(=O)C/C=C/C(C)C 1458a_100016292215_100000210623 [0,1,0,0,0,0|1,0,2]=4 116 B10R0.3 C=CCC(=O)CCC=C(C)C 1458a_100000210193_100011217483 [0,1,0,0,0,0|1,0,0]=2 117 B10R0.3 C=CCC(=O)CCC=C(F)F 1458a_100000210193_200009816681 [0,1,0,0,0,0|3,0,0]=4 118 B10R0.3 C=CCC(=O)CCCC(=O)C 1458a_100000210193_100011215641 [0,1,0,0,0,0|2,0,1]=4 119 B10R0.3 C=CCC(=O)CCCC(C)C 1458a_100000210193_100011214892 [0,1,0,0,0,0|1,0,2]=4 120 B10R0.3 C=CCC(=O)CCCC(C)C 1458a_100011216857_100000210623 [0,1,0,0,0,0|1,0,2]=4 121 B10R0.3 C=CCC(=O)CCCN(C)C 1458a_100000210193_100000695564 [0,1,0,0,0,0|2,0,1]=4 122 B10R0.3 C=CCC(=O)CCNC(=O)C 1458a_100000183196_100000210623 [0,1,0,0,0,0|3,0,0]=4 123 B10R0.3 C=CCC(=O)CCNC(=O)C 1458a_100000210193_100000189650 [0,1,0,0,0,0|3,0,0]=4 124 B10R0.3 C=CCC(=O)CCOC(=O)C 1458a_100000210193_100009814007 [0,1,0,0,0,0|3,0,0]=4 125 B10R0.3 C=CCC(=O)CCOC(C)C 1458a_100000210193_100000211751 [0,1,0,0,0,0|2,0,1]=4 126 B10R0.3 C=CCC(=O)CCSC(=O)C 1458a_100000048949_100000210623 [0,1,0,0,0,0|3,0,0]=4 127 B10R0.3 C=CCC(=O)CCSC(C)C 1458a_100000210193_100000730970 [0,1,0,0,0,0|2,0,1]=4 128 B10R0.3 C=CCC(=O)NCC=C(C)C 11a_100000718196_100000210193 [0,1,0,0,0,0|2,0,0]=3 129 B10R0.3 C=CCC(=O)NCC=C(C)C 1626a_100000718196_100000210193 [0,1,0,0,0,0|2,0,0]=3 130 B10R0.3 C=CCC(=O)NCC=C(C)C 527a_100000718196_100000210193 [0,1,0,0,0,0|2,0,0]=3 131 B10R0.3 C=CCN(C)CCC=C(C)C 2230a_100000225617_100011217483 [0,1,0,0,0,0|1,0,1]=3 132 B10R0.3 C=CCN(C)CCC=C(C)C 269982a_100000225617_100011217483 [0,1,0,0,0,0|1,0,1]=3 133 B10R0.3 C=CC[C@@H](C)OCC=C(C)C 34a_100000731007_100000761012 [0,1,0,0,0,0|1,0,2]=4 134 B10R0.3 C=CC[C@@H](C)OCC=C(C)C 7a_100000731007_100000761012 [0,1,0,0,0,0|1,0,2]=4 135 B10R0.3 CC#CC(=O)CCC=C(C)C 1458a_100000763181_100011217483 [0,1,0,0,0,0|1,0,2]=4 136 B10R0.3 CC(=CCCC(=O)C=CBr)C 1458a_100016273825_100011217483 [0,1,0,0,0,0|1,0,0]=2 137 B10R0.3 CC(=CCCC(=O)C=CCl)C 1458a_200016279998_100011217483 [0,1,0,0,0,0|1,0,0]=2 138 B10R0.3 CC(=CCCC(=O)C=CI)C 1458a_100016256311_100011217483 [0,1,0,0,0,0|1,0,0]=2 139 B10R0.3 CC(=CCCC(=O)CC#N)C 1458a_100051588842_100011217483 [0,1,0,0,0,0|1,0,2]=4 140 B10R0.3 CC(=CCCC(=O)CCO)C 1458a_100011216618_100011217483 [0,1,0,0,0,0|1,0,2]=4 141 B10R0.3 CC(=CCNC(=O)C=CBr)C 1626a_100000718196_100016273825 [0,1,0,0,0,0|2,0,0]=3 142 B10R0.3 CC(=CCNC(=O)C=CCl)C 11a_100000718196_200016279998 [0,1,0,0,0,0|2,0,0]=3 143 B10R0.3 CC(=CCNC(=O)C=CCl)C 1626a_100000718196_200016279998 [0,1,0,0,0,0|2,0,0]=3 144 B10R0.3 CC(=CCNC(=O)C=CI)C 1626a_100000718196_100016256311 [0,1,0,0,0,0|2,0,0]=3 145 B10R0.3 CC(=O)CCCC(=O)C=CBr 1458a_100016273825_100011215641 [0,1,0,0,0,0|2,0,1]=4 146 B10R0.3 CC(=O)CCCC(=O)C=CCl 1458a_200016279998_100011215641 [0,1,0,0,0,0|2,0,1]=4 147 B10R0.3 CC(=O)CCCC(=O)C=CI 1458a_100016256311_100011215641 [0,1,0,0,0,0|2,0,1]=4 148 B10R0.3 CC(=O)NCCC(=O)C=CBr 1458a_100016273825_100000189650 [0,1,0,0,0,0|3,0,0]=4 149 B10R0.3 CC(=O)NCCC(=O)C=CCl 1458a_200016279998_100000189650 [0,1,0,0,0,0|3,0,0]=4 150 B10R0.3 CC(=O)NCCC(=O)C=CI 1458a_100016256311_100000189650 [0,1,0,0,0,0|3,0,0]=4 151 B10R0.3 CC(=O)OCCC(=O)C=CBr 1458a_100016273825_100009814007 [0,1,0,0,0,0|3,0,0]=4 152 B10R0.3 CC(=O)OCCC(=O)C=CCl 1458a_200016279998_100009814007 [0,1,0,0,0,0|3,0,0]=4 153 B10R0.3 CC(=O)OCCC(=O)C=CI 1458a_100016256311_100009814007 [0,1,0,0,0,0|3,0,0]=4 154 B10R0.3 CC(C)CCCC(=O)C=CBr 1458a_100016273825_100011214892 [0,1,0,0,0,0|1,0,2]=4 155 B10R0.3 CC(C)CCCC(=O)C=CCl 1458a_200016279998_100011214892 [0,1,0,0,0,0|1,0,2]=4 156 B10R0.3 CC(C)CCCC(=O)C=CI 1458a_100016256311_100011214892 [0,1,0,0,0,0|1,0,2]=4 157 B10R0.3 CC(C)OCCC(=O)C=CBr 1458a_100016273825_100000211751 [0,1,0,0,0,0|2,0,1]=4 158 B10R0.3 CC(C)OCCC(=O)C=CCl 1458a_200016279998_100000211751 [0,1,0,0,0,0|2,0,1]=4 159 B10R0.3 CC(C)OCCC(=O)C=CI 1458a_100016256311_100000211751 [0,1,0,0,0,0|2,0,1]=4 160 B10R0.3 CC(C)SCCC(=O)C=CBr 1458a_100016273825_100000730970 [0,1,0,0,0,0|2,0,1]=4 161 B10R0.3 CC(C)SCCC(=O)C=CCl 1458a_200016279998_100000730970 [0,1,0,0,0,0|2,0,1]=4 162 B10R0.3 CC(C)SCCC(=O)C=CI 1458a_100016256311_100000730970 [0,1,0,0,0,0|2,0,1]=4 163 B10R0.3 CC=CC(=O)CCC=C(C)C 1458a_100000210699_100011217483 [0,1,0,0,0,0|1,0,0]=2 164 B10R0.3 CC=CC(=O)CCC=C(F)F 1458a_100000210699_200009816681 [0,1,0,0,0,0|3,0,0]=4 165 B10R0.3 CC=CC(=O)CCCC(=O)C 1458a_100000210699_100011215641 [0,1,0,0,0,0|2,0,1]=4 166 B10R0.3 CC=CC(=O)CCCC(C)C 1458a_100000210699_100011214892 [0,1,0,0,0,0|1,0,2]=4 167 B10R0.3 CC=CC(=O)CCCN(C)C 1458a_100000210699_100000695564 [0,1,0,0,0,0|2,0,1]=4 168 B10R0.3 CC=CC(=O)CCNC(=O)C 1458a_100000210699_100000189650 [0,1,0,0,0,0|3,0,0]=4 169 B10R0.3 CC=CC(=O)CCOC(=O)C 1458a_100000210699_100009814007 [0,1,0,0,0,0|3,0,0]=4 170 B10R0.3 CC=CC(=O)CCOC(C)C 1458a_100000210699_100000211751 [0,1,0,0,0,0|2,0,1]=4 171 B10R0.3 CC=CC(=O)CCSC(C)C 1458a_100000210699_100000730970 [0,1,0,0,0,0|2,0,1]=4 172 B10R0.3 CC=CC(=O)NCC=C(C)C 11a_100000718196_100000210699 [0,1,0,0,0,0|2,0,0]=3 173 B10R0.3 CC=CC(=O)NCC=C(C)C 1626a_100000718196_100000210699 [0,1,0,0,0,0|2,0,0]=3 174 B10R0.3 CCCC(=O)CCC=C(C)C 1458a_100000211992_100011217483 [0,1,0,0,0,0|1,0,2]=4 175 B10R0.3 CN(C)CCCC(=O)C=CBr 1458a_100016273825_100000695564 [0,1,0,0,0,0|2,0,1]=4 176 B10R0.3 CN(C)CCCC(=O)C=CCl 1458a_200016279998_100000695564 [0,1,0,0,0,0|2,0,1]=4 177 B10R0.3 CN(C)CCCC(=O)C=CI 1458a_100016256311_100000695564 [0,1,0,0,0,0|2,0,1]=4 178 B10R0.3 COCC(=O)CCC=C(C)C 1458a_100000210968_100011217483 [0,1,0,0,0,0|1,0,2]=4 179 B10R0.3 CSCC(=O)CCC=C(C)C 1458a_100000184570_100011217483 [0,1,0,0,0,0|1,0,2]=4 180 B10R0.3 O=C(C=CBr)CCC=C(F)F 1458a_100016273825_200009816681 [0,1,0,0,0,0|3,0,0]=4 181 B10R0.3 O=C(C=CCl)CCC=C(F)F 1458a_200016279998_200009816681 [0,1,0,0,0,0|3,0,0]=4 182 B10R0.3 O=C(C=CI)CCC=C(F)F 1458a_100016256311_200009816681 [0,1,0,0,0,0|3,0,0]=4 183 B10R0.44 C=C(C#N)CC(=O)C=C(C)C 1458a_100000211388_100000694840 [0,1,0,0,0,0|1,0,2]=4 184 B10R0.57 C/C=C(\C)/C(=O)CC=C(C)C 1458a_100020587367_100000761012 [0,1,0,0,0,0|0,0,3]=4 185 B10R0.57 C=CC(=O)C(C)CCC(C)C 1458a_100000185746_100011261404 [0,1,0,0,0,0|1,0,2]=4 186 B10R0.57 C=CC(C)C(=O)CC=C(C)C 1458a_100011216780_100000761012 [0,1,0,0,0,0|0,0,3]=4 187 B10R0.59 C=CC(=O)CCCC(=O)NC 1458a_100000185746_100000741757 [0,1,0,0,0,0|2,0,1]=4 188 B10R0.59 C=CC(=O)CCCC(=O)OC 1458a_100000185746_100011218270 [0,1,0,0,0,0|2,0,1]=4 189 B10R0.59 C=CC(=O)CCCN(C)CC 1458a_100000185746_100015186262 [0,1,0,0,0,0|2,0,1]=4 190 B10R0.59 C=CC(=O)CCOC(=O)NC 1458a_100000185746_200011997002 [0,1,0,0,0,0|3,0,0]=4 191 B10R0.60 C=CC(=O)CCC[N+](C)(C)C 1458a_100000185746_100016990835 [0,1,0,0,0,0|2,0,1]=4 192 B10R0.60 C=CC(=O)CCC[Si](C)(C)C 1458a_100000185746_100011219597 [0,1,0,0,0,0|1,1,1]=4 193 B10R0.60 C=CC(=O)CCO[Si](C)(C)C 1458a_100000185746_200000032530 [0,1,0,0,0,0|2,1,0]=4 194 B10R0.65 C=CC(C)(C)OCC=C(C)C 34a_100011215311_100000761012 [0,1,0,0,0,0|1,0,2]=4 195 B10R0.65 C=CC(C)(C)OCC=C(C)C 7a_100011215311_100000761012 [0,1,0,0,0,0|1,0,2]=4 196 B10R0.65 C=CC(F)(F)SCC=C(C)C 62a_100000761012_100009814244 [0,1,0,0,0,0|2,0,1]=4 197 B10R0.65 C=CC(F)(F)SCC=C(C)C 62a_100009814244_100000761012 [0,1,0,0,0,0|2,0,1]=4 198 B10R0.77 C=CC(C=C)OCC=C(C)C 34a_100000033096_100000761012 [0,1,0,0,0,0|1,0,1]=3 199 B10R0.77 C=CC(CC)OCC=C(C)C 34a_100000766422_100000761012 [0,1,0,0,0,0|1,0,2]=4 200 B10R0.77 C=CC(CC)OCC=C(C)C 7a_100000766422_100000761012 [0,1,0,0,0,0|1,0,2]=4 201 B10R0.77 C=C[C@@H](CO)NCC=C(C)C 2230a_100016989147_100000761012 [0,1,0,0,0,0|1,0,2]=4 202 B10R0.77 C=C[C@@H](CO)NCC=C(C)C 34a_100016989147_100000761012 [0,1,0,0,0,0|1,0,2]=4 203 B10R0.77 CC(=CCNC(C=O)C=O)C 34a_100000718196_100000736813 [0,1,0,0,0,0|2,0,1]=4 204 B10R0.77 CC(=CCOC(C=O)C=O)C 34a_100000753907_100000736813 [0,1,0,0,0,0|2,0,1]=4 205 B10R0.77 CC(=CCSC(C=O)C=O)C 62a_100000736813_100000761012 [0,1,0,0,0,0|2,0,1]=4 206 B10R0.77 CC(=CCSC(C=O)C=O)C 62a_100000761012_100000736813 [0,1,0,0,0,0|2,0,1]=4 207 B10R0.82 C=CC(=O)CCC(=C(F)F)F 1458a_100000185746_100009813398 [0,1,0,0,0,0|3,0,0]=4 208 B10R0.82 C=CC(=O)COC(=O)C(C)C 1458a_100000185746_100000139345 [0,1,0,0,0,0|2,0,1]=4 209 B10R0.82 C=CC(=O)NCC(=O)C(C)C 1458a_200011222540_100000210206 [0,1,0,0,0,0|2,0,1]=4 210 B10R0.82 C=CC(=O)NCC(=O)N(C)C 11a_100102631434_200011222540 [0,1,0,0,0,0|3,0,0]=4 211 B10R0.82 C=CC(=O)NCC(=O)N(C)C 240690a_100015183351_200121576911 [0,1,0,0,0,0|3,0,0]=4 212 B10R0.82 C=CC(=O)NCC(=O)N(C)C 240690a_100102631434_200011222540 [0,1,0,0,0,0|3,0,0]=4 213 B10R0.82 C=CC(=O)NCC(=O)N(C)C 527a_100102631434_200011222540 [0,1,0,0,0,0|3,0,0]=4 214 B10R0.98 C=C(Br)C(=O)NCC=C(C)C 11a_100000718196_100009813364 [0,1,0,0,0,0|2,0,0]=3 215 B10R0.98 C=C(Br)C(=O)NCC=C(C)C 1626a_100000718196_100009813364 [0,1,0,0,0,0|2,0,0]=3 216 B10R0.98 C=C(C)C(=O)CCC=C(C)C 1458a_100000185857_100011217483 [0,1,0,0,0,0|1,0,0]=2 217 B10R0.98 C=C(C)C(=O)CCC=C(F)F 1458a_100000185857_200009816681 [0,1,0,0,0,0|3,0,0]=4 218 B10R0.98 C=C(C)C(=O)CCCC(=O)C 1458a_100000185857_100011215641 [0,1,0,0,0,0|2,0,1]=4 219 B10R0.98 C=C(C)C(=O)CCCC(C)C 1458a_100000185857_100011214892 [0,1,0,0,0,0|1,0,2]=4 220 B10R0.98 C=C(C)C(=O)CCCN(C)C 1458a_100000185857_100000695564 [0,1,0,0,0,0|2,0,1]=4 221 B10R0.98 C=C(C)C(=O)CCNC(=O)C 1458a_100000185857_100000189650 [0,1,0,0,0,0|3,0,0]=4 222 B10R0.98 C=C(C)C(=O)CCOC(=O)C 1458a_100000185857_100009814007 [0,1,0,0,0,0|3,0,0]=4 223 B10R0.98 C=C(C)C(=O)CCOC(C)C 1458a_100000185857_100000211751 [0,1,0,0,0,0|2,0,1]=4 224 B10R0.98 C=C(C)C(=O)CCSC(C)C 1458a_100000185857_100000730970 [0,1,0,0,0,0|2,0,1]=4 225 B10R0.98 C=C(C)C(=O)NCC=C(C)C 11a_100000718196_100000185857 [0,1,0,0,0,0|2,0,0]=3 226 B10R0.98 C=C(C)C(=O)NCC=C(C)C 1626a_100000718196_100000185857 [0,1,0,0,0,0|2,0,0]=3 227 B10R0.98 C=C(Cl)C(=O)NCC=C(C)C 11a_100000718196_100000039160 [0,1,0,0,0,0|2,0,0]=3 228 B10R0.98 C=C(Cl)C(=O)NCC=C(C)C 1626a_100000718196_100000039160 [0,1,0,0,0,0|2,0,0]=3 229 B10R0.98 C=C(F)C(=O)NCC=C(C)C 11a_100000718196_100000036797 [0,1,0,0,0,0|2,0,0]=3 230 B10R0.98 C=C(F)C(=O)NCC=C(C)C 1626a_100000718196_100000036797 [0,1,0,0,0,0|2,0,0]=3 231 B10R0.98 CC(=CCCC(=O)C(C)C)C 1458a_100000210198_100011217483 [0,1,0,0,0,0|1,0,2]=4 232 B10R0.98 CC(=CCCC(=O)C(C)F)C 1458a_100000062450_100011217483 [0,1,0,0,0,0|1,0,2]=4 233 B10R0.98 CC(=CCCC(=O)C(O)O)C 1458a_100000233687_100011217483 [0,1,0,0,0,0|2,0,1]=4 234 B10R0.98 CC(=CCCC(=O)[C@@H](C)O)C 1458a_100000717761_100011217483 [0,1,0,0,0,0|1,0,2]=4 235 B10R0.98 CC(=CCCC(=O)[C@H](C)O)C 1458a_217856618621_100011217483 [0,1,0,0,0,0|1,0,2]=4 236 B10R1.31 C=Cc1cc(cs1)C(=O)C 271570a_100011290941_200012344231 [0,0,0,1,0,0|2,0,1]=4 237 B10R1.31 C=Cc1csc(c1)C(=O)C 271570a_100011290941_100000718618 [0,0,0,1,0,0|2,0,1]=4 238 B10R1.54 CC(=Cc1ccc(s1)Br)C 271570a_100102525489_100010197418 [0,0,0,1,0,0|2,0,1]=4 239 B10R1.54 CC(=Cc1ccc(s1)C)C 271570a_100102525489_100000761539 [0,0,0,1,0,0|1,0,2]=4 240 B10R1.150 C=CC(=O)CC1CC(=O)C1 1458a_100000185746_100009874392 [0,0,0,1,0,0|2,0,1]=4 241 B8R0.9 C#CC(=O)CC=C(C)C 1458a_100000211873_100000761012 [0,0,0,0,1,0|1,0,2]=4 242 B8R0.9 C=CC(=O)CC=C(C)C 1458a_100000185746_100000761012 [0,0,0,0,1,0|1,0,0]=2 243 B8R0.9 C=CC(=O)CCC(=C)C 1458a_100000185746_100000730704 [0,0,0,0,1,0|1,0,1]=3 244 B8R0.9 C=CC(=O)CCC(C)C 1458a_100000185746_100000210312 [0,0,0,0,1,0|1,0,1]=3 245 B8R0.9 C=CC(=O)CCC(C)O 1458a_100000185746_100012276601 [0,0,0,0,1,0|2,0,1]=4 246 B8R0.9 C=CC(=O)NCC(=C)C 1626a_100000765925_100000185746 [0,0,0,0,1,0|2,0,1]=4 247 B8R0.9 C=CC(=O)NCC(=C)C 240690a_100000765925_200121576911 [0,0,0,0,1,0|2,0,1]=4 248 B8R0.9 C=CC(=O)NCC(=O)C 1458a_200011222540_200000210301 [0,0,0,0,1,0|3,0,0]=4 249 B8R0.9 C=CC(=O)NCC(=O)[13CH3] 1458a_200011222540_200025704644 [0,0,0,0,1,0|3,0,0]=4 250 B8R0.9 C=CC(=O)NCC(C)C 1626a_100000210953_100000185746 [0,0,0,0,1,0|2,0,1]=4 251 B8R0.9 C=CC(=O)NCC(C)C 240690a_100000210953_200121576911 [0,0,0,0,1,0|2,0,1]=4 252 B8R0.9 CC(=CCC(=O)CF)C 1458a_100011220947_100015361967 [0,0,0,0,1,0|2,0,1]=4 253 B8R0.9 CC(=CCC(=O)CO)C 1458a_100000210174_100000761012 [0,0,0,0,1,0|2,0,1]=4 254 B8R0.9 CCC(=O)CC=C(C)C 1458a_100000210414_100000761012 [0,0,0,0,1,0|1,0,2]=4 255 B8R0.9 CCC(=O)CC=C(C)C 1458a_100011220947_100000210202 [0,0,0,0,1,0|1,0,2]=4 256 B8R0.9 CNC(=O)CC=C(C)C 11a_106832991635_100011220947 [0,0,0,0,1,0|2,0,1]=4 257 B8R0.9 CNC(=O)CC=C(C)C 1626a_100102657272_100011220947 [0,0,0,0,1,0|2,0,1]=4 258 B8R0.9 CNC(=O)CC=C(C)C 240690a_100102657272_100011220947 [0,0,0,0,1,0|2,0,1]=4 259 B8R0.9 CNC(=O)CC=C(C)C 527a_100102657272_100011220947 [0,0,0,0,1,0|2,0,1]=4 260 B10R0.55 C=C(C#N)CNCC=C(C)C 34a_100000718196_100000694840 [0,0,0,0,0,1|1,0,1]=3 261 B10R0.55 C=C(C#N)COCC=C(C)C 34a_100000753907_100000694840 [0,0,0,0,0,1|1,0,1]=3 262 B10R0.55 C=C(C#N)CSCC=C(C)C 62a_100000761012_100000694840 [0,0,0,0,0,1|1,0,1]=3 263 B10R0.55 C=CC(=O)CCCCC(=O)C 1458a_100000185746_100000735457 [0,0,0,0,0,1|2,0,1]=4 264 B10R0.55 C=CC(=O)CCCCC(C)C 1458a_100000185746_100011216152 [0,0,0,0,0,1|1,0,2]=4 265 B10R0.55 C=CC(=O)CCCOC(=O)C 1458a_100000185746_100000042594 [0,0,0,0,0,1|2,0,1]=4 266 B10R0.55 C=CC(=O)CCCOC(=S)C 1458a_100000185746_200135323944 [0,0,0,0,0,1|2,0,1]=4 267 B10R0.55 C=CC(=O)CCCSC(=O)C 1458a_100000185746_100000038929 [0,0,0,0,0,1|2,0,1]=4 268 B10R0.55 C=CC(=O)NCCCC(C)C 1626a_200000737386_100000185746 [0,0,0,0,0,1|1,0,2]=4 269 B10R0.55 C=CC(=O)NCCCC(C)C 240690a_200000737386_200121576911 [0,0,0,0,0,1|1,0,2]=4 270 B10R0.55 C=CC(=O)NCCCN(C)C 240690a_102531767803_200121576911 [0,0,0,0,0,1|2,0,1]=4 271 B10R0.55 C=CC(=O)NCCNC(=O)C 11a_114873766552_100015343762 [0,0,0,0,0,1|3,0,0]=4 272 B10R0.55 C=CC(=O)NCCNC(=O)C 1626a_114873766552_100015343762 [0,0,0,0,0,1|3,0,0]=4 273 B10R0.55 C=CC(=O)NCCNC(=O)C 240690a_100000209853_200121576911 [0,0,0,0,0,1|3,0,0]=4 274 B10R0.55 C=CC(=O)NCCNC(=O)C 527a_114873766552_100103153847 [0,0,0,0,0,1|3,0,0]=4 275 B10R0.55 C=CC(=O)NCCNC(C)C 2230a_114873766552_100000210206 [0,0,0,0,0,1|2,0,1]=4 276 B10R0.55 C=CC(=O)NCCOC(=O)C 240690a_100000724843_200121576911 [0,0,0,0,0,1|3,0,0]=4 277 B10R0.55 C=CC(=O)NCCOC(C)C 1626a_100000701111_100000185746 [0,0,0,0,0,1|2,0,1]=4 278 B10R0.55 C=CC(=O)NCCOC(C)C 240690a_100000701111_200121576911 [0,0,0,0,0,1|2,0,1]=4 279 B10R0.55 C=CC(=O)NCCOC(C)C 34a_100011304386_100000210206 [0,0,0,0,0,1|2,0,1]=4 280 B10R0.55 C=CC(=O)NCCSC(=O)C 240690a_100020647217_200121576911 [0,0,0,0,0,1|3,0,0]=4 281 B10R0.55 C=CC(=O)NCCSC(C)C 1626a_100000731138_100000185746 [0,0,0,0,0,1|2,0,1]=4 282 B10R0.55 C=CC(=O)NCCSC(C)C 240690a_100000731138_200121576911 [0,0,0,0,0,1|2,0,1]=4 283 B10R0.55 C=CC(=O)OCCNC(C)C 2230a_100138425928_100009813456 [0,0,0,0,0,1|2,0,1]=4 284 B10R0.55 C=CC(=O)OCCNC(C)C 34a_100138425928_100009813456 [0,0,0,0,0,1|2,0,1]=4 285 B10R0.55 C=CC(=O)OCCOC(C)C 34a_100000212225_100009813456 [0,0,0,0,0,1|2,0,1]=4 286 B10R0.55 C=CC(=O)OCCSC(C)C 62a_100000210206_100009813456 [0,0,0,0,0,1|2,0,1]=4 287 B10R0.55 C=CC(=O)OCCSC(C)C 62a_100009813456_100000210206 [0,0,0,0,0,1|2,0,1]=4 288 B10R0.55 C=CC(C)COCC=C(C)C 34a_100011215527_100000761012 [0,0,0,0,0,1|0,0,2]=3 289 B10R0.55 C=CC(C)COCC=C(C)C 7a_100011215527_100000761012 [0,0,0,0,0,1|0,0,2]=3 290 B10R0.55 C=CC(C)OCCC=C(C)C 34a_100000695699_100011217483 [0,0,0,0,0,1|0,0,2]=3 291 B10R0.55 C=CC(C)SCCC=C(C)C 62a_100011215867_100011217483 [0,0,0,0,0,1|0,0,2]=3 292 B10R0.55 C=CC(O)CNCC=C(C)C 34a_100000718196_100000730141 [0,0,0,0,0,1|1,0,1]=3 293 B10R0.55 C=CC(O)COCC=C(C)C 34a_100000753907_100000730141 [0,0,0,0,0,1|1,0,1]=3 294 B10R0.55 C=CC(O)CSCC=C(C)C 62a_100000730141_100000761012 [0,0,0,0,0,1|1,0,1]=3 295 B10R0.55 C=CC(O)CSCC=C(C)C 62a_100000761012_100000730141 [0,0,0,0,0,1|1,0,1]=3 296 B10R0.55 C=C[C@H](N)COCC=C(C)C 34a_100016989147_100000761012 [0,0,0,0,0,1|1,0,1]=3 297 B10R0.55 CCC(=O)COCC=C(C)C 34a_100000725409_100000761012 [0,0,0,0,0,1|1,0,2]=4 298 B10R0.55 CCC(=O)CSCC=C(C)C 62a_100000747405_100000761012 [0,0,0,0,0,1|1,0,2]=4 299 B10R0.55 CCC(=O)CSCC=C(C)C 62a_100000761012_100000747405 [0,0,0,0,0,1|1,0,2]=4 300 B10R0.55 CNC(=O)CNCC=C(C)C 2230a_100000693194_100000761012 [0,0,0,0,0,1|2,0,1]=4 301 B10R0.55 CNC(=O)CNCC=C(C)C 34a_100000718196_100000183359 [0,0,0,0,0,1|2,0,1]=4 302 B10R0.55 CNC(=O)COCC=C(C)C 34a_100000750040_100000761012 [0,0,0,0,0,1|2,0,1]=4 303 B10R0.55 CNC(=O)COCC=C(C)C 34a_100000753907_100000183359 [0,0,0,0,0,1|2,0,1]=4 304 B10R0.55 CNC(=O)CSCC=C(C)C 62a_100000183359_100000761012 [0,0,0,0,0,1|2,0,1]=4 305 B10R0.55 CNC(=O)CSCC=C(C)C 62a_100000761012_100000183359 [0,0,0,0,0,1|2,0,1]=4 306 B10R0.55 COC(=O)CNCC=C(C)C 34a_100000718196_100000747449 [0,0,0,0,0,1|2,0,1]=4 307 B10R0.55 COC(=O)COCC=C(C)C 34a_100000753907_100000747449 [0,0,0,0,0,1|2,0,1]=4 308 B10R0.55 COC(=O)CSCC=C(C)C 62a_100000747449_100000761012 [0,0,0,0,0,1|2,0,1]=4 309 B10R0.55 COC(=O)CSCC=C(C)C 62a_100000761012_100000747449 [0,0,0,0,0,1|2,0,1]=4 310 B7R0.1 C=CCNCC=CC 2230a_100020586998_100000070051 [2,0,0,0,0,0|1,0,1]=4 311 B7R0.1 C=CCOC/C=C/C 34a_100016270725_100015514636 [2,0,0,0,0,0|1,0,1]=4 312 B7R0.1 C=CCOC/C=C/C 34a_200000210373_100102629194 [2,0,0,0,0,0|1,0,1]=4 313 B7R0.1 C=CCOCC=CC 34a_200000210373_100000070051 [2,0,0,0,0,0|1,0,1]=4 314 B7R0.1 C=CCSC/C=C/C 62a_100000210623_100102629194 [2,0,0,0,0,0|1,0,1]=4 315 B7R0.1 C=CCSC/C=C/C 62a_100102629194_100000210623 [2,0,0,0,0,0|1,0,1]=4 316 B7R0.1 C=CCSCC=CC 62a_100000070051_100000210623 [2,0,0,0,0,0|1,0,1]=4 317 B7R0.1 C=CCSCC=CC 62a_100000210623_100000070051 [2,0,0,0,0,0|1,0,1]=4 318 B7R0.3 C=CC(=O)C/C=C/C 1458a_100000185746_100102629194 [2,0,0,0,0,0|1,0,0]=3 319 B7R0.3 C=CC(=O)CC=CC 1458a_100000185746_100000070051 [2,0,0,0,0,0|1,0,0]=3 320 B7R0.3 C=CC(=O)CCCC 1458a_100000185746_100000210211 [2,0,0,0,0,0|1,0,1]=4 321 B7R0.3 C=CC(=O)CCOC 1458a_100000185746_100000233755 [2,0,0,0,0,0|2,0,0]=4 322 B7R0.3 C=CC(=O)CCSC 1458a_100000185746_100000751147 [2,0,0,0,0,0|2,0,0]=4 323 B7R0.3 C=CCCC(=O)C=C 1458a_100000185746_100000754431 [2,0,0,0,0,0|1,0,0]=3 324 B7R0.3 C=CCNC(=O)C=C 1626a_100020586998_100000185746 [2,0,0,0,0,0|2,0,0]=4 325 B7R0.3 C=CCNC(=O)C=C 240690a_100020586998_200121576911 [2,0,0,0,0,0|2,0,0]=4 326 B7R0.4 C=CCCCC(=O)C 1458a_100000070787_100000757094 [2,0,0,0,0,0|1,0,1]=4 327 B7R0.4 C=CCCCC(=O)C 1458a_100000766728_200000210301 [2,0,0,0,0,0|1,0,1]=4 328 B7R0.4 C=CCCCC(=O)[13CH3] 1458a_100000766728_200025704644 [2,0,0,0,0,0|1,0,1]=4 329 B7R0.4 C=CCCCN(C)C 2230a_100102631434_100011713584 [2,0,0,0,0,0|1,0,1]=4 330 B7R0.4 C=CCCCN(C)C 269982a_100102631434_100000757094 [2,0,0,0,0,0|1,0,1]=4 331 B7R0.4 C=CCCNC(=O)C 11a_100015191253_100015343762 [2,0,0,0,0,0|2,0,0]=4 332 B7R0.4 C=CCCNC(=O)C 1626a_100015191253_100015343762 [2,0,0,0,0,0|2,0,0]=4 333 B7R0.4 C=CCCNC(=O)C 240690a_100015191253_100015343762 [2,0,0,0,0,0|2,0,0]=4 334 B7R0.4 C=CCCNC(=O)C 527a_100015191253_100103153847 [2,0,0,0,0,0|2,0,0]=4 335 B7R0.4 C=CCCNC(C)C 2230a_100015191253_100000210206 [2,0,0,0,0,0|1,0,1]=4 336 B7R0.4 C=CCCNC(C)C 2230a_100138425928_100000754431 [2,0,0,0,0,0|1,0,1]=4 337 B7R0.4 C=CCCNC(C)C 34a_100138425928_100000754431 [2,0,0,0,0,0|1,0,1]=4 338 B7R0.4 C=CCCOC(C)C 34a_100000212225_100000754431 [2,0,0,0,0,0|1,0,1]=4 339 B7R0.4 C=CCCOC(C)C 34a_100011205117_100000210206 [2,0,0,0,0,0|1,0,1]=4 340 B7R0.4 C=CCCSC(C)C 62a_100000210206_100000754431 [2,0,0,0,0,0|1,0,1]=4 341 B7R0.4 C=CCCSC(C)C 62a_100000754431_100000210206 [2,0,0,0,0,0|1,0,1]=4 342 B7R0.4 C=COCCC(=O)C 1458a_100000070787_100000039644 [2,0,0,0,0,0|2,0,0]=4 343 B7R0.4 C=COCCN(C)C 2230a_100102631434_100000039644 [2,0,0,0,0,0|2,0,0]=4 344 B7R0.4 C=COCCN(C)C 269982a_100102631434_100000039644 [2,0,0,0,0,0|2,0,0]=4 345 B7R0.4 CC(=CCCS[13CH3])C 62a_100011217483_200025704644 [2,0,0,0,0,0|1,0,1]=4 346 B7R0.4 CC(=CCCS[13CH3])C 62a_200025704644_100011217483 [2,0,0,0,0,0|1,0,1]=4 347 B7R0.4 CNCCC=C(C)C 2230a_106832991635_100011217483 [2,0,0,0,0,0|1,0,1]=4 348 B7R0.4 CNCCC=C(C)C 34a_100102657272_100011217483 [2,0,0,0,0,0|1,0,1]=4 349 B7R0.4 CNCCC=C(C)C 7a_106832991635_100011217483 [2,0,0,0,0,0|1,0,1]=4 350 B7R0.4 COCCC=C(C)C 34a_100138415774_100011217483 [2,0,0,0,0,0|1,0,1]=4 351 B7R0.4 CSCCC=C(C)C 62a_100011217483_200000210301 [2,0,0,0,0,0|1,0,1]=4 352 B7R0.4 CSCCC=C(C)C 62a_200000210301_100011217483 [2,0,0,0,0,0|1,0,1]=4 353 B9R0.46 C=C(C#N)COC/C=C/C 34a_100016270725_100000694840 [1,1,0,0,0,0|1,0,1]=4 354 B9R0.46 C=C(C#N)CSC/C=C/C 62a_100102629194_100000694840 [1,1,0,0,0,0|1,0,1]=4 355 B9R0.46 C=C(C#N)CSCC=CC 62a_100000070051_100000694840 [1,1,0,0,0,0|1,0,1]=4 356 B9R0.46 C=CC(=O)CC/C=C\CC 1458a_100000185746_100015370543 [1,1,0,0,0,0|1,0,0]=3 357 B9R0.46 C=CC(C)COC/C=C/C 34a_100011215527_100102629194 [1,1,0,0,0,0|0,0,2]=4 358 B9R0.46 C=CC(C)COC/C=C/C 7a_100011215527_100102629194 [1,1,0,0,0,0|0,0,2]=4 359 B9R0.46 C=CC(C)COCC=CC 34a_100011215527_100000070051 [1,1,0,0,0,0|0,0,2]=4 360 B9R0.46 C=CC(C)COCC=CC 7a_100011215527_100000070051 [1,1,0,0,0,0|0,0,2]=4 361 B9R0.46 C=CC(O)COC/C=C/C 34a_100016270725_100000730141 [1,1,0,0,0,0|1,0,1]=4 362 B9R0.46 C=CC(O)CSC/C=C/C 62a_100000730141_100102629194 [1,1,0,0,0,0|1,0,1]=4 363 B9R0.46 C=CC(O)CSC/C=C/C 62a_100102629194_100000730141 [1,1,0,0,0,0|1,0,1]=4 364 B9R0.46 C=CC(O)CSCC=CC 62a_100000070051_100000730141 [1,1,0,0,0,0|1,0,1]=4 365 B9R0.46 C=CC(O)CSCC=CC 62a_100000730141_100000070051 [1,1,0,0,0,0|1,0,1]=4 366 B9R0.46 C=C[C@H](N)COC/C=C/C 34a_100016989147_100102629194 [1,1,0,0,0,0|1,0,1]=4 367 B9R0.46 C=C[C@H](N)COCC=CC 34a_100016989147_100000070051 [1,1,0,0,0,0|1,0,1]=4 368 B9R0.50 C=CC(C=C)OC/C=C/C 34a_100000033096_100102629194 [1,1,0,0,0,0|1,0,1]=4 369 B9R0.50 C=CC(C=C)OCC=CC 34a_100000033096_100000070051 [1,1,0,0,0,0|1,0,1]=4 370 B9R0.2 C/C=C/CNCC=C(C)C 34a_100000718196_100102629194 [1,1,0,0,0,0|0,0,1]=3 371 B9R0.2 C/C=C/COCC=C(C)C 34a_100000753907_100102629194 [1,1,0,0,0,0|0,0,1]=3 372 B9R0.2 C/C=C/COCC=C(C)C 34a_100016270725_100000761012 [1,1,0,0,0,0|0,0,1]=3 373 B9R0.2 C/C=C/CSCC=C(C)C 62a_100000761012_100102629194 [1,1,0,0,0,0|0,0,1]=3 374 B9R0.2 C/C=C/CSCC=C(C)C 62a_100102629194_100000761012 [1,1,0,0,0,0|0,0,1]=3 375 B9R0.2 C=CCCNCC=C(C)C 2230a_100015191253_100000761012 [1,1,0,0,0,0|0,0,1]=3 376 B9R0.2 C=CCCNCC=C(C)C 34a_100000718196_100000754431 [1,1,0,0,0,0|0,0,1]=3 377 B9R0.2 C=CCCOCC=C(C)C 34a_100000753907_100000754431 [1,1,0,0,0,0|0,0,1]=3 378 B9R0.2 C=CCCOCC=C(C)C 34a_100011205117_100000761012 [1,1,0,0,0,0|0,0,1]=3 379 B9R0.2 C=CCCSCC=C(C)C 62a_100000754431_100000761012 [1,1,0,0,0,0|0,0,1]=3 380 B9R0.2 C=CCCSCC=C(C)C 62a_100000761012_100000754431 [1,1,0,0,0,0|0,0,1]=3 381 B9R0.2 C=CCNCCC=C(C)C 2230a_100020586998_100011217483 [1,1,0,0,0,0|0,0,1]=3 382 B9R0.2 C=CCOCCC=C(C)C 34a_200000210373_100011217483 [1,1,0,0,0,0|0,0,1]=3 383 B9R0.2 C=CCSCCC=C(C)C 62a_100000210623_100011217483 [1,1,0,0,0,0|0,0,1]=3 384 B9R0.2 C=CCSCCC=C(C)C 62a_100011217483_100000210623 [1,1,0,0,0,0|0,0,1]=3 385 B9R0.2 CC(=CCCSCC=O)C 62a_100011217483_200015260668 [1,1,0,0,0,0|1,0,1]=4 386 B9R0.2 CC(=CCCSCC=O)C 62a_200015260668_100011217483 [1,1,0,0,0,0|1,0,1]=4 387 B9R0.2 CC=CCNCC=C(C)C 34a_100000718196_100000070051 [1,1,0,0,0,0|0,0,1]=3 388 B9R0.2 CC=CCOCC=C(C)C 34a_100000753907_100000070051 [1,1,0,0,0,0|0,0,1]=3 389 B9R0.2 CC=CCSCC=C(C)C 62a_100000070051_100000761012 [1,1,0,0,0,0|0,0,1]=3 390 B9R0.2 CC=CCSCC=C(C)C 62a_100000761012_100000070051 [1,1,0,0,0,0|0,0,1]=3 391 B9R0.4 C/C=C/CC(=O)C=C(C)C 1458a_100000211388_100102629194 [1,1,0,0,0,0|0,0,2]=4 392 B9R0.4 C=CCCC(=O)C=C(C)C 1458a_100000211388_100000754431 [1,1,0,0,0,0|0,0,2]=4 393 B9R0.4 C=CCOC(C)C=C(C)C 34a_100000717055_100015514636 [1,1,0,0,0,0|1,0,1]=4 394 B9R0.4 CC=CCC(=O)C=C(C)C 1458a_100000211388_100000070051 [1,1,0,0,0,0|0,0,2]=4 395 B9R0.48 C=CCC(=O)CC=C(C)C 1458a_100000210193_100000761012 [1,1,0,0,0,0|0,0,2]=4 396 B9R0.48 C=CCC(=O)CC=C(C)C 1458a_100011220947_100000210623 [1,1,0,0,0,0|0,0,2]=4 397 B9R0.48 C=CCN(C)CC=C(C)C 2230a_100000225617_100000761012 [1,1,0,0,0,0|1,0,1]=4 398 B9R0.48 C=CCN(C)CC=C(C)C 269982a_100000225617_100000761012 [1,1,0,0,0,0|1,0,1]=4 399 B9R0.48 CC(=CCC(=O)C=CBr)C 1458a_100016273825_100000761012 [1,1,0,0,0,0|1,0,1]=4 400 B9R0.48 CC(=CCC(=O)C=CCl)C 1458a_200016279998_100000761012 [1,1,0,0,0,0|1,0,1]=4 401 B9R0.48 CC(=CCC(=O)C=CI)C 1458a_100016256311_100000761012 [1,1,0,0,0,0|1,0,1]=4 402 B9R0.48 CC=CC(=O)CC=C(C)C 1458a_100000210699_100000761012 [1,1,0,0,0,0|0,0,2]=4 403 B9R0.55 C=C(C)CNCC=C(C)C 34a_100000718196_100000748629 [1,1,0,0,0,0|1,0,1]=4 404 B9R0.55 C=C(C)COCC=C(C)C 34a_100000210245_100000761012 [1,1,0,0,0,0|1,0,1]=4 405 B9R0.55 C=C(C)COCC=C(C)C 34a_100000753907_100000748629 [1,1,0,0,0,0|1,0,1]=4 406 B9R0.55 C=C(C)CSCC=C(C)C 62a_100000748629_100000761012 [1,1,0,0,0,0|1,0,1]=4 407 B9R0.55 C=C(C)CSCC=C(C)C 62a_100000761012_100000211660 [1,1,0,0,0,0|1,0,1]=4 408 B9R0.55 C=C(F)CNCC=C(C)C 34a_100000718196_100009893438 [1,1,0,0,0,0|1,0,1]=4 409 B9R0.55 C=C(F)COCC=C(C)C 34a_100000753907_100009893438 [1,1,0,0,0,0|1,0,1]=4 410 B9R0.55 C=C(F)COCC=C(C)C 34a_200010262243_100000761012 [1,1,0,0,0,0|1,0,1]=4 411 B9R0.55 C=C(F)CSCC=C(C)C 62a_100000042424_100000761012 [1,1,0,0,0,0|1,0,1]=4 412 B9R0.55 C=C(F)CSCC=C(C)C 62a_100000761012_100000042424 [1,1,0,0,0,0|1,0,1]=4 413 B9R0.7 C=C(C)C(=O)CC=C(C)C 1458a_100000185857_100000761012 [1,1,0,0,0,0|0,0,2]=4 414 B9R0.7 C=C(C)CCC(=O)C(=C)C 1458a_100000185857_100000730704 [1,1,0,0,0,0|0,0,2]=4 415 B9R0.7 C=C(C)CCC(=O)C(C)C 1458a_100000210198_100000730704 [1,1,0,0,0,0|0,0,2]=4 416 B9R0.7 C=C(C)CCC(=O)C(C)C 1458a_200000688413_100000210206 [1,1,0,0,0,0|0,0,2]=4 417 B9R0.7 C=C(C)CCC(=O)N(C)C 11a_100102631434_200000688413 [1,1,0,0,0,0|1,0,1]=4 418 B9R0.7 C=C(C)CCC(=O)N(C)C 1626a_100102631434_200000688413 [1,1,0,0,0,0|1,0,1]=4 419 B9R0.7 C=C(C)CCC(=O)N(C)C 240690a_100102631434_200000688413 [1,1,0,0,0,0|1,0,1]=4 420 B9R0.7 C=C(C)CCC(=O)N(C)C 527a_100102631434_200000688413 [1,1,0,0,0,0|1,0,1]=4 421 B9R0.53 C=C(C)CC(=O)C=C(C)C 1458a_100000211388_100000748629 [1,1,0,0,0,0|0,0,2]=4 422 B9R0.53 C=C(F)CC(=O)C=C(C)C 1458a_100000211388_100009893438 [1,1,0,0,0,0|1,0,1]=4 423 B9R0.21 C=CC(=O)CCC(C)(C)C 1458a_100000185746_100000755188 [0,1,0,0,1,0|1,0,1]=4 424 B9R0.21 C=CC(=O)CC[N+](C)(C)C 1458a_100000185746_100000085578 [0,1,0,0,1,0|2,0,0]=4 425 B9R0.21 C=CC(=O)CC[Si](C)(C)C 1458a_100000185746_200000733723 [0,1,0,0,1,0|1,1,0]=4 426 B9R0.23 C=CC(=O)C(C)CC(C)C 1458a_100000185746_100000731052 [0,1,0,0,1,0|1,0,1]=4 427 B9R0.42 C=CC(=O)CC(=O)C(=O)C 1458a_100000185746_100011261029 [0,1,0,0,1,0|2,0,0]=4 428 B9R0.42 C=CC(=O)CC(=O)C(C)C 1458a_100000185746_100000753385 [0,1,0,0,1,0|1,0,1]=4 429 B9R0.42 C=CC(=O)CC(=O)N(C)C 1458a_100000185746_100000185267 [0,1,0,0,1,0|2,0,0]=4 430 B11R0.22 C=CC(C=C)OCCC=C(C)C 34a_100000033096_100011217483 [0,1,0,0,0,1|0,0,1]=3 431 B11R0.22 C=CC(CC)OCCC=C(C)C 34a_100000766422_100011217483 [0,1,0,0,0,1|0,0,2]=4 432 B11R0.22 C=CC(CC)OCCC=C(C)C 7a_100000766422_100011217483 [0,1,0,0,0,1|0,0,2]=4 433 B11R0.22 C=C[C@@H](CO)NCCC=C(C)C 2230a_100016989147_100011217483 [0,1,0,0,0,1|0,0,2]=4 434 B11R0.22 C=C[C@@H](CO)NCCC=C(C)C 34a_100016989147_100011217483 [0,1,0,0,0,1|0,0,2]=4 435 B11R0.22 CC(=CCCSC(C=O)C=O)C 62a_100000736813_100011217483 [0,1,0,0,0,1|1,0,1]=4 436 B11R0.22 CC(=CCCSC(C=O)C=O)C 62a_100011217483_100000736813 [0,1,0,0,0,1|1,0,1]=4 437 B11R0.29 CC(=O)C(=O)CNCC=C(C)C 34a_100000718196_100011261029 [0,1,0,0,0,1|1,0,1]=4 438 B11R0.29 CC(=O)C(=O)COCC=C(C)C 34a_100000753907_100011261029 [0,1,0,0,0,1|1,0,1]=4 439 B11R0.29 CC(=O)C(=O)CSCC=C(C)C 62a_100000761012_100011261029 [0,1,0,0,0,1|1,0,1]=4 440 B11R0.29 CC(=O)C(=O)CSCC=C(C)C 62a_100011261029_100000761012 [0,1,0,0,0,1|1,0,1]=4 441 B11R0.93 C=C(C#N)CC(=O)CC=C(C)C 1458a_100011220947_100000694840 [0,1,0,0,0,1|1,0,1]=4 442 B11R0.93 C=CC(C)CC(=O)CC=C(C)C 1458a_100011934298_100000761012 [0,1,0,0,0,1|0,0,2]=4 443 B11R0.107 C=C(C#N)COC(C)C=C(C)C 34a_100000717055_100000694840 [0,1,0,0,0,1|1,0,1]=4 444 B11R0.107 C=CC(=O)CCC(=O)NC(C)C 1458a_100000185746_100000737564 [0,1,0,0,0,1|1,0,1]=4 445 B11R0.107 C=CC(=O)CCC(=O)OC(C)C 1458a_100000185746_100000760027 [0,1,0,0,0,1|1,0,1]=4 446 B11R0.107 C=CC(O)COC(C)C=C(C)C 34a_100000717055_100000730141 [0,1,0,0,0,1|1,0,1]=4 447 B11R0.109 C=CC(=O)CCCC(=O)N(C)C 1458a_100000185746_100000737642 [0,1,0,0,0,1|2,0,0]=4 448 B11R0.109 C=CC(=O)CCOC(=O)C(=C)C 1458a_100000185746_100009816335 [0,1,0,0,0,1|1,0,1]=4 449 B11R0.109 C=CC(=O)NCCC(=O)N(C)C 240690a_100000738053_200121576911 [0,1,0,0,0,1|2,0,0]=4 450 B11R0.109 C=CC(=O)OCCC(=O)C(=C)C 1458a_100000185857_100009813456 [0,1,0,0,0,1|1,0,1]=4 451 B11R0.109 C=CC(=O)OCCC(=O)C(C)C 1458a_100000065099_100000210206 [0,1,0,0,0,1|1,0,1]=4 452 B11R0.109 C=CC(=O)OCCC(=O)C(C)C 1458a_100000210198_100009813456 [0,1,0,0,0,1|1,0,1]=4 453 B11R0.109 C=CC(=O)OCCC(=O)N(C)C 240690a_100102631434_100000065099 [0,1,0,0,0,1|2,0,0]=4 454 B11R0.127 C=CC(C)(C)OCCC=C(C)C 34a_100011215311_100011217483 [0,1,0,0,0,1|0,0,2]=4 455 B11R0.127 C=CC(C)(C)OCCC=C(C)C 7a_100011215311_100011217483 [0,1,0,0,0,1|0,0,2]=4 456 B11R0.127 C=CC(F)(F)SCCC=C(C)C 62a_100009814244_100011217483 [0,1,0,0,0,1|1,0,1]=4 457 B11R0.127 C=CC(F)(F)SCCC=C(C)C 62a_100011217483_100009814244 [0,1,0,0,0,1|1,0,1]=4 458 B11R0.127 C=C[Si](C)(C)CSCC=C(C)C 62a_100000038793_100000761012 [0,1,0,0,0,1|0,1,1]=4 459 B11R0.127 C=C[Si](C)(C)CSCC=C(C)C 62a_100000761012_100000038793 [0,1,0,0,0,1|0,1,1]=4 460 B11R0.145 C/C=C(\C)/C(=O)CCC=C(C)C 1458a_100020587367_100011217483 [0,1,0,0,0,1|0,0,2]=4 461 B11R0.145 C=CC(C)C(=O)CCC=C(C)C 1458a_100011216780_100011217483 [0,1,0,0,0,1|0,0,2]=4 462 B11R0.145 C=C[C@@H](C)[C@@H](C)OCC=C(C)C 34a_100015455354_100000761012 [0,1,0,0,0,1|0,0,2]=4 463 B11R0.145 C=C[C@@H](C)[C@@H](C)OCC=C(C)C 7a_100015455354_100000761012 [0,1,0,0,0,1|0,0,2]=4 464 B11R0.176 C/C=C/C(C)OCCC=C(C)C 34a_200102604097_100011217483 [0,1,0,0,0,1|0,0,2]=4 465 B11R0.176 C=CCC(C)COCC=C(C)C 34a_100009832082_100000761012 [0,1,0,0,0,1|0,0,2]=4 466 B11R0.176 C=CCC(C)COCC=C(C)C 7a_100009832082_100000761012 [0,1,0,0,0,1|0,0,2]=4 467 B11R0.176 C=CC[C@@H](C)OCCC=C(C)C 34a_100000731007_100011217483 [0,1,0,0,0,1|0,0,2]=4 468 B11R0.176 C=CC[C@@H](C)OCCC=C(C)C 7a_100000731007_100011217483 [0,1,0,0,0,1|0,0,2]=4 469 B11R0.176 C=CC[C@@H](N)COCC=C(C)C 34a_100020615467_100000761012 [0,1,0,0,0,1|1,0,1]=4 470 B11R0.176 C=COC(=O)CNCC=C(C)C 34a_100000718196_100000036128 [0,1,0,0,0,1|1,0,0]=3 471 B11R0.176 C=COC(=O)COCC=C(C)C 34a_100000753907_100000036128 [0,1,0,0,0,1|1,0,0]=3 472 B11R0.176 C=COC(=O)CSCC=C(C)C 62a_100000036128_100000761012 [0,1,0,0,0,1|1,0,0]=3 473 B11R0.176 C=COC(=O)CSCC=C(C)C 62a_100000761012_100000036128 [0,1,0,0,0,1|1,0,0]=3 474 B11R0.1 C=COC(=O)CC(=O)C=C(C)C 1458a_100000211388_100000036128 [0,2,0,0,0,0|1,0,1]=4 475 B11R0.6 C=C(C)CN(C)CCC=C(C)C 2230a_100000225649_100011217483 [0,2,0,0,0,0|1,0,1]=4 476 B11R0.6 C=C(C)CN(C)CCC=C(C)C 269982a_100000225649_100011217483 [0,2,0,0,0,0|1,0,1]=4 477 B11R0.6 CC(=CCCC(=CC(=O)[13CH3])C)C 1458a_100016995320_200025704644 [0,2,0,0,0,0|0,0,1]=3 478 B11R0.6 CC(=CCCC(=O)C=C(C)C)C 1458a_100000211388_100011217483 [0,2,0,0,0,0|1,0,0]=3 479 B11R0.6 CC(=CCCC(=O)C=C(C)Cl)C 1458a_200042562850_100011217483 [0,2,0,0,0,0|1,0,0]=3 480 B11R0.6 CC(=CCCC(=O)C=C(C)I)C 1458a_100025716642_100011217483 [0,2,0,0,0,0|1,0,0]=3 481 B11R0.6 CC(=CCCC(=O)C=C(Cl)Cl)C 1458a_100000137448_100011217483 [0,2,0,0,0,0|1,0,0]=3 482 B11R0.6 CC(=CCCC(=O)CC(=O)N)C 1458a_100134613110_100011217483 [0,2,0,0,0,0|1,0,1]=4 483 B11R0.6 CC(=CCNC(=O)C=C(C)C)C 11a_100000718196_100000211388 [0,2,0,0,0,0|2,0,0]=4 484 B11R0.6 CC(=CCNC(=O)C=C(C)C)C 1626a_100000718196_100000211388 [0,2,0,0,0,0|2,0,0]=4 485 B11R0.6 CC(=CCNC(=O)C=C(C)Cl)C 11a_100000718196_200042562850 [0,2,0,0,0,0|2,0,0]=4 486 B11R0.6 CC(=CCNC(=O)C=C(C)Cl)C 1626a_100000718196_200042562850 [0,2,0,0,0,0|2,0,0]=4 487 B11R0.6 CC(=CCNC(=O)C=C(C)I)C 11a_100000718196_100025716642 [0,2,0,0,0,0|2,0,0]=4 488 B11R0.6 CC(=CCNC(=O)C=C(C)I)C 1626a_100000718196_100025716642 [0,2,0,0,0,0|2,0,0]=4 489 B11R0.6 CC(=CCNC(=O)C=C(Cl)Cl)C 1626a_100000718196_100000137448 [0,2,0,0,0,0|2,0,0]=4 490 B11R0.6 CC(=O)C=C(C)CCC=C(C)C 1458a_100016995320_200000210301 [0,2,0,0,0,0|0,0,1]=3 491 B11R0.45 C=CCC(C=C)OCC=C(C)C 34a_100000038011_100000761012 [0,2,0,0,0,0|1,0,1]=4 492 B11R0.45 C=CCC(C=C)OCC=C(C)C 7a_100000038011_100000761012 [0,2,0,0,0,0|1,0,1]=4 493 B11R0.141 C=CCC(=O)CCC(=O)N(C)C 1458a_100011200748_100000210623 [0,2,0,0,0,0|2,0,0]=4 494 B11R0.147 C=CC=CC(=O)CCC=C(C)C 1458a_100016291481_100011217483 [0,2,0,0,0,0|1,0,0]=3 495 B11R0.147 C=CC=CC(=O)NCC=C(C)C 1626a_100000718196_100016291481 [0,2,0,0,0,0|2,0,0]=4 496 B11R0.147 C=CCCC(=O)CCC=C(C)C 1458a_100000749702_100011217483 [0,2,0,0,0,0|1,0,0]=3 497 B11R0.147 C=CCCC(=O)NCC=C(C)C 11a_100000718196_100000749702 [0,2,0,0,0,0|2,0,0]=4 498 B11R0.147 C=CCCC(=O)NCC=C(C)C 1626a_100000718196_100000749702 [0,2,0,0,0,0|2,0,0]=4 499 B11R0.147 C=CCCC(=O)NCC=C(C)C 527a_100000718196_100000749702 [0,2,0,0,0,0|2,0,0]=4 500 B11R0.147 C=CCCN(C)CCC=C(C)C 2230a_100020639649_100011217483 [0,2,0,0,0,0|1,0,1]=4 501 B11R0.147 C=CCCN(C)CCC=C(C)C 269982a_100020639649_100011217483 [0,2,0,0,0,0|1,0,1]=4 502 B11R0.147 C=CCNC(=O)NCC=C(C)C 2708a_100000718196_100020586998 [0,2,0,0,0,0|2,0,0]=4 503 B11R0.147 C=CCNC(=O)NCC=C(C)C 273464a_100000718196_100020586998 [0,2,0,0,0,0|2,0,0]=4 504 B11R0.147 C=CCNC(=O)NCC=C(C)C 273464a_100020586998_100000718196 [0,2,0,0,0,0|2,0,0]=4 505 B11R0.147 C=CCNC(=O)NCC=C(C)C 512a_100000718196_100020586998 [0,2,0,0,0,0|2,0,0]=4 506 B11R0.147 C=CCNC(=O)NCC=C(C)C 512a_100020586998_100000718196 [0,2,0,0,0,0|2,0,0]=4 507 B11R0.147 C=CCNC(C)CCC=C(C)C 270004a_100020586998_100000765506 [0,2,0,0,0,0|0,0,2]=4 508 B11R0.147 C=CCOC(C)CCC=C(C)C 34a_100102619829_100015514636 [0,2,0,0,0,0|0,0,2]=4 509 B11R0.147 C=CCOC(C)CCC=C(C)C 7a_100102619829_100015514636 [0,2,0,0,0,0|0,0,2]=4 510 B11R0.147 CC(=CCC/C(=C/CN[13CH3])/C)C 2230a_200020676162_200025704644 [0,2,0,0,0,0|0,0,2]=4 511 B11R0.147 CC(=CCC/C(=C/CN[13CH3])/C)C 34a_200020676162_200025704644 [0,2,0,0,0,0|0,0,2]=4 512 B11R0.147 CC(=CCC/C(=C/CS[13CH3])/C)C 62a_100016991246_200025704644 [0,2,0,0,0,0|0,0,2]=4 513 B11R0.147 CC(=CCC/C(=C/CS[13CH3])/C)C 62a_200025704644_100016991246 [0,2,0,0,0,0|0,0,2]=4 514 B11R0.147 CC(=CCC/C(=C\CO[13CH3])/C)C 34a_100016990311_200025704644 [0,2,0,0,0,0|0,0,2]=4 515 B11R0.147 CC(=CCC/C(=C\CO[13CH3])/C)C 7a_100016990311_200025704644 [0,2,0,0,0,0|0,0,2]=4 516 B11R0.147 CC=CCC(=O)CCC=C(C)C 1458a_100121576822_100011217483 [0,2,0,0,0,0|1,0,0]=3 517 B11R0.147 CC=CCC(=O)NCC=C(C)C 11a_100000718196_100121576822 [0,2,0,0,0,0|2,0,0]=4 518 B11R0.147 CC=CCC(=O)NCC=C(C)C 1626a_100000718196_100121576822 [0,2,0,0,0,0|2,0,0]=4 519 B11R0.147 CC=CCC(=O)NCC=C(C)C 527a_100000718196_100121576822 [0,2,0,0,0,0|2,0,0]=4 520 B11R0.147 CCC=CC(=O)CCC=C(C)C 1458a_100000212282_100011217483 [0,2,0,0,0,0|1,0,0]=3 521 B11R0.147 CCC=CC(=O)NCC=C(C)C 11a_100000718196_100000212282 [0,2,0,0,0,0|2,0,0]=4 522 B11R0.147 CCC=CC(=O)NCC=C(C)C 1626a_100000718196_100000212282 [0,2,0,0,0,0|2,0,0]=4 523 B11R0.147 CNC/C=C(\C)/CCC=C(C)C 2230a_106832991635_100016991246 [0,2,0,0,0,0|0,0,2]=4 524 B11R0.147 CNC/C=C(\C)/CCC=C(C)C 2230a_200020676162_200000210301 [0,2,0,0,0,0|0,0,2]=4 525 B11R0.147 CNC/C=C(\C)/CCC=C(C)C 34a_100102657272_100016991246 [0,2,0,0,0,0|0,0,2]=4 526 B11R0.147 CNC/C=C(\C)/CCC=C(C)C 34a_200020676162_200000210301 [0,2,0,0,0,0|0,0,2]=4 527 B11R0.147 CNC/C=C(\C)/CCC=C(C)C 7a_106832991635_100016991246 [0,2,0,0,0,0|0,0,2]=4 528 B11R0.147 COC/C=C(/C)\CCC=C(C)C 34a_100016990311_200000210301 [0,2,0,0,0,0|0,0,2]=4 529 B11R0.147 COC/C=C(/C)\CCC=C(C)C 7a_100016990311_200000210301 [0,2,0,0,0,0|0,0,2]=4 530 B11R0.147 COC/C=C(\C)/CCC=C(C)C 34a_100138415774_100016991246 [0,2,0,0,0,0|0,0,2]=4 531 B11R0.147 COC=CC(=O)CCC=C(C)C 1458a_100016268678_100011217483 [0,2,0,0,0,0|1,0,0]=3 532 B11R0.147 COC=CC(=O)NCC=C(C)C 1626a_100000718196_100016268678 [0,2,0,0,0,0|2,0,0]=4 533 B11R0.147 CSC/C=C(\C)/CCC=C(C)C 62a_100016991246_200000210301 [0,2,0,0,0,0|0,0,2]=4 534 B11R0.147 CSC/C=C(\C)/CCC=C(C)C 62a_200000210301_100016991246 [0,2,0,0,0,0|0,0,2]=4 535 B11R0.213 C=CC(C)(CCC=C(C)C)OC 34a_100000033386_200000210301 [0,2,0,0,0,0|0,0,2]=4 536 B11R0.213 C=CC(C)(CCC=C(C)C)OC 7a_100000033386_200000210301 [0,2,0,0,0,0|0,0,2]=4 537 B11R0.213 C=CC(C)(CCC=C(C)C)O[13CH3] 34a_100000033386_200025704644 [0,2,0,0,0,0|0,0,2]=4 538 B11R0.213 C=CC(C)(CCC=C(C)C)O[13CH3] 7a_100000033386_200025704644 [0,2,0,0,0,0|0,0,2]=4 539 B11R0.273 C=C[C@H](NCC=C(C)C)C(=O)O 269956a_100016992060_100000761012 [0,2,0,0,0,0|1,0,1]=4 540 B9R1.2 C=Cc1cc(ccn1)C 271570a_100011290941_100000750283 [1,0,0,1,0,0|1,0,1]=4 541 B9R1.2 C=Cc1cc(cnn1)C 271570a_100011290941_100000070100 [1,0,0,1,0,0|2,0,0]=4 542 B9R1.2 C=Cc1cccc(c1)C 271570a_100011290941_100011215228 [1,0,0,1,0,0|0,0,2]=4 543 B9R1.2 C=Cc1cncc(c1)C 271570a_100011290941_100000760492 [1,0,0,1,0,0|1,0,1]=4 544 B9R1.11 C=CC(=O)N1CC=CC1 1626a_100015195280_100000185746 [1,0,0,1,0,0|2,0,0]=4 545 B9R1.11 C=CC(=O)N1CC=CC1 240690a_100015195280_200121576911 [1,0,0,1,0,0|2,0,0]=4 546 B9R1.13 CC(=Cc1ccco1)C 271570a_100102525489_100009814098 [1,0,0,1,0,0|1,0,1]=4 547 B9R1.13 CC(=Cc1cccs1)C 271570a_100102525489_100011215356 [1,0,0,1,0,0|1,0,1]=4 548 B11R1.23 C=CC(=O)N1CCC=C(C1)C 1626a_100000725631_100000185746 [0,0,0,1,0,1|1,0,0]=3 549 B11R1.23 C=CC(=O)N1CCC=C(C1)C 240690a_100000725631_200121576911 [0,0,0,1,0,1|1,0,0]=3 550 B11R1.23 C=CC(C)N1CCC=C(C1)C 269982a_100000725631_100011215867 [0,0,0,1,0,1|0,0,2]=4 551 B11R1.172 CC(=CCCN1CC=CC1)C 269982a_100015195280_100011217483 [0,1,0,1,0,0|1,0,1]=4 552 B11R1.172 CC(=CCOc1ccsc1)C 34a_100000106738_100000761012 [0,1,0,1,0,0|1,0,0]=3 553 B11R1.172 CC(=CCOc1ccsc1)C 7a_100000106738_100000761012 [0,1,0,1,0,0|1,0,0]=3 554 B11R1.172 CC(=CCSc1c[nH]cn1)C 62a_100000756875_100000761012 [0,1,0,1,0,0|2,0,0]=4 555 B11R1.172 CC(=CCSc1c[nH]cn1)C 62a_100000761012_100000756875 [0,1,0,1,0,0|2,0,0]=4 556 B11R1.172 CC(=CCSc1cc[nH]n1)C 62a_100000062575_100000761012 [0,1,0,1,0,0|2,0,0]=4 557 B11R1.172 CC(=CCSc1cc[nH]n1)C 62a_100000761012_100000062575 [0,1,0,1,0,0|2,0,0]=4 558 B11R1.172 CC(=CCSc1ccco1)C 62a_100000761012_100009814098 [0,1,0,1,0,0|1,0,0]=3 559 B11R1.172 CC(=CCSc1ccco1)C 62a_100009814098_100000761012 [0,1,0,1,0,0|1,0,0]=3 560 B11R1.172 CC(=CCSc1cccs1)C 62a_100000761012_100011215356 [0,1,0,1,0,0|1,0,0]=3 561 B11R1.172 CC(=CCSc1cccs1)C 62a_100011215356_100000761012 [0,1,0,1,0,0|1,0,0]=3 562 B11R1.172 CC(=CCSc1ccoc1)C 62a_100000761012_100011215275 [0,1,0,1,0,0|1,0,0]=3 563 B11R1.172 CC(=CCSc1ccoc1)C 62a_100011215275_100000761012 [0,1,0,1,0,0|1,0,0]=3 564 B11R1.172 CC(=CCSc1ccon1)C 62a_100000761012_100009818083 [0,1,0,1,0,0|2,0,0]=4 565 B11R1.172 CC(=CCSc1ccon1)C 62a_100009818083_100000761012 [0,1,0,1,0,0|2,0,0]=4 566 B11R1.172 CC(=CCSc1ccsc1)C 62a_100000738268_100000761012 [0,1,0,1,0,0|1,0,0]=3 567 B11R1.172 CC(=CCSc1ccsc1)C 62a_100000761012_100000738268 [0,1,0,1,0,0|1,0,0]=3 568 B11R1.172 CC(=CCSc1ccsn1)C 62a_100000761012_100009818082 [0,1,0,1,0,0|2,0,0]=4 569 B11R1.172 CC(=CCSc1ccsn1)C 62a_100009818082_100000761012 [0,1,0,1,0,0|2,0,0]=4 570 B11R1.172 CC(=CCSc1cn[nH]c1)C 62a_100000238712_100000761012 [0,1,0,1,0,0|2,0,0]=4 571 B11R1.172 CC(=CCSc1cn[nH]c1)C 62a_100000761012_100000238712 [0,1,0,1,0,0|2,0,0]=4 572 B11R1.172 CC(=CCSc1cnco1)C 62a_100000761012_100020591547 [0,1,0,1,0,0|2,0,0]=4 573 B11R1.172 CC(=CCSc1cnco1)C 62a_100020591547_100000761012 [0,1,0,1,0,0|2,0,0]=4 574 B11R1.172 CC(=CCSc1cncs1)C 62a_100000761012_100011934649 [0,1,0,1,0,0|2,0,0]=4 575 B11R1.172 CC(=CCSc1cncs1)C 62a_100011934649_100000761012 [0,1,0,1,0,0|2,0,0]=4 576 B11R1.172 CC(=CCSc1cnoc1)C 62a_100000761012_100009815712 [0,1,0,1,0,0|2,0,0]=4 577 B11R1.172 CC(=CCSc1cnoc1)C 62a_100009815712_100000761012 [0,1,0,1,0,0|2,0,0]=4 578 B11R1.172 CC(=CCSc1cnsc1)C 62a_100000761012_100009815736 [0,1,0,1,0,0|2,0,0]=4 579 B11R1.172 CC(=CCSc1cnsc1)C 62a_100009815736_100000761012 [0,1,0,1,0,0|2,0,0]=4 580 B11R1.172 CC(=CCSc1cscn1)C 62a_100000751502_100000761012 [0,1,0,1,0,0|2,0,0]=4 581 B11R1.172 CC(=CCSc1cscn1)C 62a_100000761012_100000751502 [0,1,0,1,0,0|2,0,0]=4 582 B11R1.172 CC(=CCSc1ncc[nH]1)C 62a_100000761012_100025796157 [0,1,0,1,0,0|2,0,0]=4 583 B11R1.172 CC(=CCSc1ncc[nH]1)C 62a_100025796157_100000761012 [0,1,0,1,0,0|2,0,0]=4 584 B11R1.172 CC(=CCSc1ncco1)C 62a_100000761012_100011787736 [0,1,0,1,0,0|2,0,0]=4 585 B11R1.172 CC(=CCSc1ncco1)C 62a_100011787736_100000761012 [0,1,0,1,0,0|2,0,0]=4 586 B11R1.172 CC(=CCSc1nccs1)C 62a_100000211983_100000761012 [0,1,0,1,0,0|2,0,0]=4 587 B11R1.172 CC(=CCSc1nccs1)C 62a_100000761012_100000211983 [0,1,0,1,0,0|2,0,0]=4 588 B11R1.172 CC(=O)CCCc1cccs1 1458a_100000070787_100010992444 [0,1,0,1,0,0|1,0,1]=4 589 B11R1.172 CC(=O)CCCc1cccs1 1458a_100000184482_200000210301 [0,1,0,1,0,0|1,0,1]=4 590 B11R1.172 CC(=O)NCCc1ccco1 11a_100000694680_100015343762 [0,1,0,1,0,0|2,0,0]=4 591 B11R1.172 CC(=O)NCCc1ccco1 1626a_100000694680_100015343762 [0,1,0,1,0,0|2,0,0]=4 592 B11R1.172 CC(=O)NCCc1ccco1 240690a_100000694680_100015343762 [0,1,0,1,0,0|2,0,0]=4 593 B11R1.172 CC(=O)NCCc1ccco1 527a_100000694680_100103153847 [0,1,0,1,0,0|2,0,0]=4 594 B11R1.172 CC(=O)NCCc1cccs1 11a_100000203755_100015343762 [0,1,0,1,0,0|2,0,0]=4 595 B11R1.172 CC(=O)NCCc1cccs1 1626a_100000203755_100015343762 [0,1,0,1,0,0|2,0,0]=4 596 B11R1.172 CC(=O)NCCc1cccs1 240690a_100000203755_100015343762 [0,1,0,1,0,0|2,0,0]=4 597 B11R1.172 CC(=O)NCCc1cccs1 527a_100000203755_100103153847 [0,1,0,1,0,0|2,0,0]=4 598 B11R1.172 CC(=O)NCCc1ccsc1 11a_100000692642_100015343762 [0,1,0,1,0,0|2,0,0]=4 599 B11R1.172 CC(=O)NCCc1ccsc1 1626a_100000692642_100015343762 [0,1,0,1,0,0|2,0,0]=4 600 B11R1.172 CC(=O)NCCc1ccsc1 240690a_100000692642_100015343762 [0,1,0,1,0,0|2,0,0]=4 601 B11R1.172 CC(=O)NCCc1ccsc1 527a_100000692642_100103153847 [0,1,0,1,0,0|2,0,0]=4 602 B11R1.172 CC(C)NCCc1ccco1 2230a_100000694680_100000210206 [0,1,0,1,0,0|1,0,1]=4 603 B11R1.172 CC(C)NCCc1ccco1 34a_100000694680_100000210206 [0,1,0,1,0,0|1,0,1]=4 604 B11R1.172 CC(C)NCCc1cccs1 2230a_100000203755_100000210206 [0,1,0,1,0,0|1,0,1]=4 605 B11R1.172 CC(C)NCCc1cccs1 2230a_100138425928_100000748579 [0,1,0,1,0,0|1,0,1]=4 606 B11R1.172 CC(C)NCCc1cccs1 34a_100000203755_100000210206 [0,1,0,1,0,0|1,0,1]=4 607 B11R1.172 CC(C)NCCc1cccs1 34a_100138425928_100000748579 [0,1,0,1,0,0|1,0,1]=4 608 B11R1.172 CC(C)NCCc1ccsc1 2230a_100000692642_100000210206 [0,1,0,1,0,0|1,0,1]=4 609 B11R1.172 CC(C)NCCc1ccsc1 34a_100000692642_100000210206 [0,1,0,1,0,0|1,0,1]=4 610 B11R1.172 CC(C)OCCc1cccs1 34a_100000212225_100000748579 [0,1,0,1,0,0|1,0,1]=4 611 B11R1.172 CC(C)OCCc1cccs1 34a_100011216825_100000210206 [0,1,0,1,0,0|1,0,1]=4 612 B11R1.172 CC(C)OCCc1cccs1 7a_100011216825_100000210206 [0,1,0,1,0,0|1,0,1]=4 613 B11R1.172 CC(C)OCCc1ccsc1 34a_100000748821_100000210206 [0,1,0,1,0,0|1,0,1]=4 614 B11R1.172 CC(C)SCCc1cccs1 62a_100000210206_100000748579 [0,1,0,1,0,0|1,0,1]=4 615 B11R1.172 CC(C)SCCc1cccs1 62a_100000748579_100000210206 [0,1,0,1,0,0|1,0,1]=4 616 B11R1.172 CN(C)CCCc1cccs1 2230a_100102631434_100010992444 [0,1,0,1,0,0|1,0,1]=4 617 B11R1.172 CN(C)CCCc1cccs1 269982a_100102631434_100010992444 [0,1,0,1,0,0|1,0,1]=4 618 B11R1.172 [13CH3]C(=O)CCCc1cccs1 1458a_100000184482_200025704644 [0,1,0,1,0,0|1,0,1]=4 619 B11R1.22 C=CC(=O)N1CC=C(CC1)C 1626a_100000693516_100000185746 [0,1,0,1,0,0|2,0,0]=4 620 B11R1.22 C=CC(=O)N1CC=C(CC1)C 240690a_100000693516_200121576911 [0,1,0,1,0,0|2,0,0]=4 621 B7R0.6 C=C(C)CCC(=O)C 1458a_100000070787_100000730704 [1,0,0,0,1,0|1,0,1]=4 622 B7R0.6 C=C(C)CCC(=O)C 1458a_200000688413_200000210301 [1,0,0,0,1,0|1,0,1]=4 623 B7R0.6 C=C(C)CCC(=O)[13CH3] 1458a_200000688413_200025704644 [1,0,0,0,1,0|1,0,1]=4 624 B7R0.6 C=C(C)CCN(C)C 2230a_100102631434_100000730704 [1,0,0,0,1,0|1,0,1]=4 625 B7R0.6 C=C(C)CCN(C)C 269982a_100102631434_100000730704 [1,0,0,0,1,0|1,0,1]=4 626 B7R0.6 CC(=CCC(=O)[13CH3])C 1458a_100011220947_200025704644 [1,0,0,0,1,0|1,0,1]=4 627 B7R0.6 CC(=O)CC=C(C)C 1458a_100000070787_100000761012 [1,0,0,0,1,0|1,0,1]=4 628 B7R0.6 CC(=O)CC=C(C)C 1458a_100011220947_200000210301 [1,0,0,0,1,0|1,0,1]=4 629 B7R0.2 C=CC(=O)CC(=C)C 1458a_100000185746_100000748629 [0,0,0,0,2,0|1,0,1]=4 630 B7R0.2 C=CC(=O)CC(C)C 1458a_100000185746_100000210624 [0,0,0,0,2,0|1,0,1]=4 631 B11R0.111 C=C(C#N)CSCCC=C(C)C 62a_100011217483_100000694840 [0,0,0,0,0,2|1,0,1]=4 632 B11R0.111 C=CC(C)COCCC=C(C)C 34a_100011215527_100011217483 [0,0,0,0,0,2|0,0,2]=4 633 B11R0.111 C=CC(C)COCCC=C(C)C 7a_100011215527_100011217483 [0,0,0,0,0,2|0,0,2]=4 634 B11R0.111 C=CC(O)CSCCC=C(C)C 62a_100000730141_100011217483 [0,0,0,0,0,2|1,0,1]=4 635 B11R0.111 C=CC(O)CSCCC=C(C)C 62a_100011217483_100000730141 [0,0,0,0,0,2|1,0,1]=4 636 B11R0.111 C=C[C@H](N)COCCC=C(C)C 34a_100016989147_100011217483 [0,0,0,0,0,2|1,0,1]=4