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#CCN(C)CCC=C(C)C 2230a_100000225692_100011217483 [0,0,0,0,0,0|2,0,2]=4 2 B10R0.3 C#CCN(C)CCC=C(C)C 34a_100000225692_100011217483 [0,0,0,0,0,0|2,0,2]=4 3 B10R0.3 C/C=C/C(C)OCC=C(C)C 34a_200102604097_100000761012 [0,0,0,0,0,0|2,0,1]=3 4 B10R0.3 C=CCC(=O)CCC=C(C)C 1458a_100000210193_100011217483 [0,0,0,0,0,0|2,0,1]=3 5 B10R0.3 C=CCC(=O)NCC=C(C)C 11a_100000718196_100000210193 [0,0,0,0,0,0|3,0,1]=4 6 B10R0.3 C=CCC(=O)NCC=C(C)C 1626a_100000718196_100000210193 [0,0,0,0,0,0|3,0,1]=4 7 B10R0.3 C=CCC(=O)NCC=C(C)C 527a_100000718196_100000210193 [0,0,0,0,0,0|3,0,1]=4 8 B10R0.3 C=CCN(C)CCC=C(C)C 2230a_100000225617_100011217483 [0,0,0,0,0,0|2,0,1]=3 9 B10R0.3 C=CCN(C)CCC=C(C)C 269982a_100000225617_100011217483 [0,0,0,0,0,0|2,0,1]=3 10 B10R0.3 C=CC[C@@H](C)OCC=C(C)C 34a_100000731007_100000761012 [0,0,0,0,0,0|2,0,2]=4 11 B10R0.3 C=CC[C@@H](C)OCC=C(C)C 7a_100000731007_100000761012 [0,0,0,0,0,0|2,0,2]=4 12 B10R0.3 CC#CC(=O)CCC=C(C)C 1458a_100000763181_100011217483 [0,0,0,0,0,0|2,0,2]=4 13 B10R0.3 CC(=CCCC(=O)C=CBr)C 1458a_100016273825_100011217483 [0,0,0,0,0,0|2,0,0]=2 14 B10R0.3 CC(=CCCC(=O)C=CCl)C 1458a_200016279998_100011217483 [0,0,0,0,0,0|2,0,0]=2 15 B10R0.3 CC(=CCCC(=O)C=CI)C 1458a_100016256311_100011217483 [0,0,0,0,0,0|2,0,0]=2 16 B10R0.3 CC(=CCCC(=O)CC#N)C 1458a_100051588842_100011217483 [0,0,0,0,0,0|2,0,2]=4 17 B10R0.3 CC(=CCCC(=O)CCO)C 1458a_100011216618_100011217483 [0,0,0,0,0,0|1,0,3]=4 18 B10R0.3 CC(=CCCC(C)OCF)C 34a_100102619829_100015361967 [0,0,0,0,0,0|2,0,2]=4 19 B10R0.3 CC(=CCCC(C)OCF)C 7a_100102619829_100015361967 [0,0,0,0,0,0|2,0,2]=4 20 B10R0.3 CC(=CCCN(C)CC#N)C 2230a_100000748184_100011217483 [0,0,0,0,0,0|2,0,2]=4 21 B10R0.3 CC(=CCCN(C)CCO)C 2230a_100000210263_100011217483 [0,0,0,0,0,0|1,0,3]=4 22 B10R0.3 CC(=CCCN(C)CCO)C 269982a_100000210263_100011217483 [0,0,0,0,0,0|1,0,3]=4 23 B10R0.3 CC(=CCNC(=O)C=CBr)C 1626a_100000718196_100016273825 [0,0,0,0,0,0|3,0,0]=3 24 B10R0.3 CC(=CCNC(=O)C=CCl)C 11a_100000718196_200016279998 [0,0,0,0,0,0|3,0,0]=3 25 B10R0.3 CC(=CCNC(=O)C=CCl)C 1626a_100000718196_200016279998 [0,0,0,0,0,0|3,0,0]=3 26 B10R0.3 CC(=CCNC(=O)C=CI)C 1626a_100000718196_100016256311 [0,0,0,0,0,0|3,0,0]=3 27 B10R0.3 CC(=O)CCCC(=O)C=CBr 1458a_100016273825_100011215641 [0,0,0,0,0,0|3,0,1]=4 28 B10R0.3 CC(=O)CCCC(=O)C=CCl 1458a_200016279998_100011215641 [0,0,0,0,0,0|3,0,1]=4 29 B10R0.3 CC(=O)CCCC(=O)C=CI 1458a_100016256311_100011215641 [0,0,0,0,0,0|3,0,1]=4 30 B10R0.3 CC(=O)NCCC(=O)C=CBr 1458a_100016273825_100000189650 [0,0,0,0,0,0|4,0,0]=4 31 B10R0.3 CC(=O)NCCC(=O)C=CCl 1458a_200016279998_100000189650 [0,0,0,0,0,0|4,0,0]=4 32 B10R0.3 CC(=O)NCCC(=O)C=CI 1458a_100016256311_100000189650 [0,0,0,0,0,0|4,0,0]=4 33 B10R0.3 CC(=O)OCCC(=O)C=CBr 1458a_100016273825_100009814007 [0,0,0,0,0,0|4,0,0]=4 34 B10R0.3 CC(=O)OCCC(=O)C=CCl 1458a_200016279998_100009814007 [0,0,0,0,0,0|4,0,0]=4 35 B10R0.3 CC(=O)OCCC(=O)C=CI 1458a_100016256311_100009814007 [0,0,0,0,0,0|4,0,0]=4 36 B10R0.3 CC(C)CCCC(=O)C=CBr 1458a_100016273825_100011214892 [0,0,0,0,0,0|2,0,2]=4 37 B10R0.3 CC(C)CCCC(=O)C=CCl 1458a_200016279998_100011214892 [0,0,0,0,0,0|2,0,2]=4 38 B10R0.3 CC(C)CCCC(=O)C=CI 1458a_100016256311_100011214892 [0,0,0,0,0,0|2,0,2]=4 39 B10R0.3 CC(C)OCCC(=O)C=CBr 1458a_100016273825_100000211751 [0,0,0,0,0,0|3,0,1]=4 40 B10R0.3 CC(C)OCCC(=O)C=CCl 1458a_200016279998_100000211751 [0,0,0,0,0,0|3,0,1]=4 41 B10R0.3 CC(C)OCCC(=O)C=CI 1458a_100016256311_100000211751 [0,0,0,0,0,0|3,0,1]=4 42 B10R0.3 CC(C)SCCC(=O)C=CBr 1458a_100016273825_100000730970 [0,0,0,0,0,0|3,0,1]=4 43 B10R0.3 CC(C)SCCC(=O)C=CCl 1458a_200016279998_100000730970 [0,0,0,0,0,0|3,0,1]=4 44 B10R0.3 CC(C)SCCC(=O)C=CI 1458a_100016256311_100000730970 [0,0,0,0,0,0|3,0,1]=4 45 B10R0.3 CC=CC(=O)CCC=C(C)C 1458a_100000210699_100011217483 [0,0,0,0,0,0|2,0,0]=2 46 B10R0.3 CC=CC(=O)CCC=C(F)F 1458a_100000210699_200009816681 [0,0,0,0,0,0|4,0,0]=4 47 B10R0.3 CC=CC(=O)CCCC(=O)C 1458a_100000210699_100011215641 [0,0,0,0,0,0|3,0,1]=4 48 B10R0.3 CC=CC(=O)CCCC(C)C 1458a_100000210699_100011214892 [0,0,0,0,0,0|2,0,2]=4 49 B10R0.3 CC=CC(=O)CCCN(C)C 1458a_100000210699_100000695564 [0,0,0,0,0,0|3,0,1]=4 50 B10R0.3 CC=CC(=O)CCNC(=O)C 1458a_100000210699_100000189650 [0,0,0,0,0,0|4,0,0]=4 51 B10R0.3 CC=CC(=O)CCOC(=O)C 1458a_100000210699_100009814007 [0,0,0,0,0,0|4,0,0]=4 52 B10R0.3 CC=CC(=O)CCOC(C)C 1458a_100000210699_100000211751 [0,0,0,0,0,0|3,0,1]=4 53 B10R0.3 CC=CC(=O)CCSC(C)C 1458a_100000210699_100000730970 [0,0,0,0,0,0|3,0,1]=4 54 B10R0.3 CC=CC(=O)NCC=C(C)C 11a_100000718196_100000210699 [0,0,0,0,0,0|3,0,0]=3 55 B10R0.3 CC=CC(=O)NCC=C(C)C 1626a_100000718196_100000210699 [0,0,0,0,0,0|3,0,0]=3 56 B10R0.3 CCCC(=O)CCC=C(C)C 1458a_100000211992_100011217483 [0,0,0,0,0,0|2,0,2]=4 57 B10R0.3 CCCN(C)CCC=C(C)C 2230a_100000747261_100011217483 [0,0,0,0,0,0|2,0,2]=4 58 B10R0.3 CCCN(C)CCC=C(C)C 269982a_100000747261_100011217483 [0,0,0,0,0,0|2,0,2]=4 59 B10R0.3 CCNC(C)CCC=C(C)C 270004a_100015525214_100000765506 [0,0,0,0,0,0|2,0,2]=4 60 B10R0.3 CCOC(C)CCC=C(C)C 34a_100102619829_100000210202 [0,0,0,0,0,0|2,0,2]=4 61 B10R0.3 CCOC(C)CCC=C(C)C 7a_100102619829_100000210202 [0,0,0,0,0,0|2,0,2]=4 62 B10R0.3 CN(C)CCCC(=O)C=CBr 1458a_100016273825_100000695564 [0,0,0,0,0,0|3,0,1]=4 63 B10R0.3 CN(C)CCCC(=O)C=CCl 1458a_200016279998_100000695564 [0,0,0,0,0,0|3,0,1]=4 64 B10R0.3 CN(C)CCCC(=O)C=CI 1458a_100016256311_100000695564 [0,0,0,0,0,0|3,0,1]=4 65 B10R0.3 CN(C)CCCN(C)CC=O 269982a_100000225831_200015260668 [0,0,0,0,0,0|2,0,2]=4 66 B10R0.3 CNCC(C)CCC=C(C)C 270004a_106832991635_100000033009 [0,0,0,0,0,0|2,0,2]=4 67 B10R0.3 COCC(=O)CCC=C(C)C 1458a_100000210968_100011217483 [0,0,0,0,0,0|3,0,1]=4 68 B10R0.3 CSCC(=O)CCC=C(C)C 1458a_100000184570_100011217483 [0,0,0,0,0,0|3,0,1]=4 69 B10R0.3 O=C(C=CBr)CCC=C(F)F 1458a_100016273825_200009816681 [0,0,0,0,0,0|4,0,0]=4 70 B10R0.3 O=C(C=CCl)CCC=C(F)F 1458a_200016279998_200009816681 [0,0,0,0,0,0|4,0,0]=4 71 B10R0.3 O=C(C=CI)CCC=C(F)F 1458a_100016256311_200009816681 [0,0,0,0,0,0|4,0,0]=4 72 B9R0.1 C#CC(=O)CCC=C(C)C 1458a_100000211873_100011217483 [1,0,0,0,0,0|1,0,2]=4 73 B9R0.1 C=CC(=O)CCC=C(C)C 1458a_100000185746_100011217483 [1,0,0,0,0,0|1,0,0]=2 74 B9R0.1 C=CC(=O)CCC=C(F)F 1458a_100000185746_200009816681 [1,0,0,0,0,0|3,0,0]=4 75 B9R0.1 C=CC(=O)CCCC(=O)C 1458a_100000185746_100011215641 [1,0,0,0,0,0|2,0,1]=4 76 B9R0.1 C=CC(=O)CCCC(C)C 1458a_100000185746_100011214892 [1,0,0,0,0,0|1,0,2]=4 77 B9R0.1 C=CC(=O)CCCN(C)C 1458a_100000185746_100000695564 [1,0,0,0,0,0|2,0,1]=4 78 B9R0.1 C=CC(=O)CCNC(=O)C 1458a_100000185746_100000189650 [1,0,0,0,0,0|3,0,0]=4 79 B9R0.1 C=CC(=O)CCOC(=O)C 1458a_100000185746_100009814007 [1,0,0,0,0,0|3,0,0]=4 80 B9R0.1 C=CC(=O)CCOC(C)C 1458a_100000185746_100000211751 [1,0,0,0,0,0|2,0,1]=4 81 B9R0.1 C=CC(=O)CCSC(C)C 1458a_100000185746_100000730970 [1,0,0,0,0,0|2,0,1]=4 82 B9R0.1 C=CC(=O)NCC=C(C)C 1626a_100000718196_100000185746 [1,0,0,0,0,0|2,0,0]=3 83 B9R0.1 C=CC(C)OCC=C(C)C 34a_100000695699_100000761012 [1,0,0,0,0,0|1,0,1]=3 84 B9R0.1 C=CC(C)SCC=C(C)C 62a_100011215867_100000761012 [1,0,0,0,0,0|1,0,1]=3 85 B9R0.1 CC(=CCCC(=O)CO)C 1458a_100000210174_100011217483 [1,0,0,0,0,0|1,0,2]=4 86 B9R0.1 CC(=CCCC(C)O[13CH3])C 34a_100102619829_200025704644 [1,0,0,0,0,0|1,0,2]=4 87 B9R0.1 CC(=CCCC(C)O[13CH3])C 7a_100102619829_200025704644 [1,0,0,0,0,0|1,0,2]=4 88 B9R0.1 CCC(=O)CCC=C(C)C 1458a_100000210414_100011217483 [1,0,0,0,0,0|1,0,2]=4 89 B9R0.1 CCN(C)CCC=C(C)C 2230a_100000225621_100011217483 [1,0,0,0,0,0|1,0,2]=4 90 B9R0.1 CCN(C)CCC=C(C)C 269982a_100000225621_100011217483 [1,0,0,0,0,0|1,0,2]=4 91 B9R0.1 CNC(C)CCC=C(C)C 270004a_106832991635_100000765506 [1,0,0,0,0,0|1,0,2]=4 92 B9R0.1 COC(C)CCC=C(C)C 34a_100102619829_200000210301 [1,0,0,0,0,0|1,0,2]=4 93 B9R0.1 COC(C)CCC=C(C)C 7a_100102619829_200000210301 [1,0,0,0,0,0|1,0,2]=4 94 B9R0.2 C/C=C/CNCC=C(C)C 34a_100000718196_100102629194 [1,0,0,0,0,0|2,0,1]=4 95 B9R0.2 C/C=C/COCC=C(C)C 34a_100000753907_100102629194 [1,0,0,0,0,0|2,0,1]=4 96 B9R0.2 C/C=C/COCC=C(C)C 34a_100016270725_100000761012 [1,0,0,0,0,0|2,0,1]=4 97 B9R0.2 C/C=C/CSCC=C(C)C 62a_100000761012_100102629194 [1,0,0,0,0,0|2,0,1]=4 98 B9R0.2 C/C=C/CSCC=C(C)C 62a_100102629194_100000761012 [1,0,0,0,0,0|2,0,1]=4 99 B9R0.2 C=CCNCCC=C(C)C 2230a_100020586998_100011217483 [1,0,0,0,0,0|2,0,1]=4 100 B9R0.2 C=CCOCCC=C(C)C 34a_200000210373_100011217483 [1,0,0,0,0,0|2,0,1]=4 101 B9R0.2 C=CCSCCC=C(C)C 62a_100000210623_100011217483 [1,0,0,0,0,0|2,0,1]=4 102 B9R0.2 C=CCSCCC=C(C)C 62a_100011217483_100000210623 [1,0,0,0,0,0|2,0,1]=4 103 B9R0.2 CC(=CCCSCC=O)C 62a_100011217483_200015260668 [1,0,0,0,0,0|1,0,1]=3 104 B9R0.2 CC(=CCCSCC=O)C 62a_200015260668_100011217483 [1,0,0,0,0,0|1,0,1]=3 105 B9R0.2 CC=CCNCC=C(C)C 34a_100000718196_100000070051 [1,0,0,0,0,0|2,0,1]=4 106 B9R0.2 CC=CCOCC=C(C)C 34a_100000753907_100000070051 [1,0,0,0,0,0|2,0,1]=4 107 B9R0.2 CC=CCSCC=C(C)C 62a_100000070051_100000761012 [1,0,0,0,0,0|2,0,1]=4 108 B9R0.2 CC=CCSCC=C(C)C 62a_100000761012_100000070051 [1,0,0,0,0,0|2,0,1]=4 109 B9R0.5 C/C=C/COC(C)/C=C/C 34a_200102604097_100102629194 [1,0,0,0,0,0|2,0,1]=4 110 B9R0.5 CC=CCOC(C)/C=C/C 34a_200102604097_100000070051 [1,0,0,0,0,0|2,0,1]=4 111 B11R0.6 C=C(C)CN(C)CCC=C(C)C 2230a_100000225649_100011217483 [0,1,0,0,0,0|2,0,1]=4 112 B11R0.6 C=C(C)CN(C)CCC=C(C)C 269982a_100000225649_100011217483 [0,1,0,0,0,0|2,0,1]=4 113 B11R0.6 CC(=CCCC(=CC(=O)[13CH3])C)C 1458a_100016995320_200025704644 [0,1,0,0,0,0|0,0,0]=1 114 B11R0.6 CC(=CCCC(=O)C=C(C)C)C 1458a_100000211388_100011217483 [0,1,0,0,0,0|2,0,0]=3 115 B11R0.6 CC(=CCCC(=O)C=C(C)Cl)C 1458a_200042562850_100011217483 [0,1,0,0,0,0|2,0,0]=3 116 B11R0.6 CC(=CCCC(=O)C=C(C)I)C 1458a_100025716642_100011217483 [0,1,0,0,0,0|2,0,0]=3 117 B11R0.6 CC(=CCCC(=O)C=C(Cl)Cl)C 1458a_100000137448_100011217483 [0,1,0,0,0,0|2,0,0]=3 118 B11R0.6 CC(=CCCC(=O)CC(=O)N)C 1458a_100134613110_100011217483 [0,1,0,0,0,0|1,0,1]=3 119 B11R0.6 CC(=CCCC(C)CC(=O)[13CH3])C 1458a_100000043202_200025704644 [0,1,0,0,0,0|0,0,2]=3 120 B11R0.6 CC(=CCCN(C)CC(=O)N)C 2230a_100000739694_100011217483 [0,1,0,0,0,0|1,0,1]=3 121 B11R0.6 CC(=CCCN(C)CC(=O)O)C 269956a_100000746989_100011217483 [0,1,0,0,0,0|1,0,1]=3 122 B11R0.6 CC(=CCNC(=O)C=C(C)C)C 11a_100000718196_100000211388 [0,1,0,0,0,0|3,0,0]=4 123 B11R0.6 CC(=CCNC(=O)C=C(C)C)C 1626a_100000718196_100000211388 [0,1,0,0,0,0|3,0,0]=4 124 B11R0.6 CC(=CCNC(=O)C=C(C)Cl)C 11a_100000718196_200042562850 [0,1,0,0,0,0|3,0,0]=4 125 B11R0.6 CC(=CCNC(=O)C=C(C)Cl)C 1626a_100000718196_200042562850 [0,1,0,0,0,0|3,0,0]=4 126 B11R0.6 CC(=CCNC(=O)C=C(C)I)C 11a_100000718196_100025716642 [0,1,0,0,0,0|3,0,0]=4 127 B11R0.6 CC(=CCNC(=O)C=C(C)I)C 1626a_100000718196_100025716642 [0,1,0,0,0,0|3,0,0]=4 128 B11R0.6 CC(=CCNC(=O)C=C(Cl)Cl)C 1626a_100000718196_100000137448 [0,1,0,0,0,0|3,0,0]=4 129 B11R0.6 CC(=CCNC(=O)CC(=O)N)C 527a_100000718196_100134613110 [0,1,0,0,0,0|2,0,1]=4 130 B11R0.6 CC(=CCOC(C)C=C(C)C)C 34a_100000717055_100000761012 [0,1,0,0,0,0|2,0,1]=4 131 B11R0.6 CC(=O)C=C(C)CCC=C(C)C 1458a_100016995320_200000210301 [0,1,0,0,0,0|0,0,0]=1 132 B11R0.6 CC(=O)CC(C)CCC=C(C)C 1458a_100000043202_200000210301 [0,1,0,0,0,0|0,0,2]=3 133 B11R0.6 CC(=O)OC(C)SCC=C(C)C 62a_100000761012_100009818208 [0,1,0,0,0,0|2,0,1]=4 134 B11R0.6 CC(=O)OC(C)SCC=C(C)C 62a_100009818208_100000761012 [0,1,0,0,0,0|2,0,1]=4 135 B11R0.59 CC/C=C(\C)/C(=O)CC=C(C)C 1458a_100016988807_100000761012 [0,1,0,0,0,0|1,0,2]=4 136 B11R0.145 C/C=C(\C)/C(=O)CCC=C(C)C 1458a_100020587367_100011217483 [0,1,0,0,0,0|2,0,0]=3 137 B11R0.145 C/C=C(\C)/C(=O)NCC=C(C)C 11a_100000718196_100020587367 [0,1,0,0,0,0|3,0,0]=4 138 B11R0.145 C/C=C(\C)/C(=O)NCC=C(C)C 1626a_100000718196_100020587367 [0,1,0,0,0,0|3,0,0]=4 139 B11R0.145 C=CC(C)C(=O)CCC=C(C)C 1458a_100011216780_100011217483 [0,1,0,0,0,0|2,0,1]=4 140 B11R0.145 CNC(=O)C(=O)CCC=C(C)C 1458a_100011218921_100011217483 [0,1,0,0,0,0|3,0,0]=4 141 B11R0.147 C=CC=CC(=O)CCC=C(C)C 1458a_100016291481_100011217483 [0,1,0,0,0,0|2,0,0]=3 142 B11R0.147 C=CC=CC(=O)NCC=C(C)C 1626a_100000718196_100016291481 [0,1,0,0,0,0|3,0,0]=4 143 B11R0.147 C=CCCC(=O)CCC=C(C)C 1458a_100000749702_100011217483 [0,1,0,0,0,0|2,0,1]=4 144 B11R0.147 C=CCCN(C)CCC=C(C)C 2230a_100020639649_100011217483 [0,1,0,0,0,0|2,0,1]=4 145 B11R0.147 C=CCCN(C)CCC=C(C)C 269982a_100020639649_100011217483 [0,1,0,0,0,0|2,0,1]=4 146 B11R0.147 C=CCNC(C)CCC=C(C)C 270004a_100020586998_100000765506 [0,1,0,0,0,0|1,0,2]=4 147 B11R0.147 C=CCOC(C)CCC=C(C)C 34a_100102619829_100015514636 [0,1,0,0,0,0|1,0,2]=4 148 B11R0.147 C=CCOC(C)CCC=C(C)C 7a_100102619829_100015514636 [0,1,0,0,0,0|1,0,2]=4 149 B11R0.147 CC(=CCC/C(=C/CN[13CH3])/C)C 2230a_200020676162_200025704644 [0,1,0,0,0,0|1,0,1]=3 150 B11R0.147 CC(=CCC/C(=C/CN[13CH3])/C)C 34a_200020676162_200025704644 [0,1,0,0,0,0|1,0,1]=3 151 B11R0.147 CC(=CCC/C(=C/CS[13CH3])/C)C 62a_100016991246_200025704644 [0,1,0,0,0,0|0,1,1]=3 152 B11R0.147 CC(=CCC/C(=C/CS[13CH3])/C)C 62a_200025704644_100016991246 [0,1,0,0,0,0|0,1,1]=3 153 B11R0.147 CC(=CCC/C(=C\CO[13CH3])/C)C 34a_100016990311_200025704644 [0,1,0,0,0,0|0,0,2]=3 154 B11R0.147 CC(=CCC/C(=C\CO[13CH3])/C)C 7a_100016990311_200025704644 [0,1,0,0,0,0|0,0,2]=3 155 B11R0.147 CC(=CCCC(C)OCC=O)C 34a_100102619829_200009817547 [0,1,0,0,0,0|0,0,2]=3 156 B11R0.147 CC(=CCCC(C)OCC=O)C 7a_100102619829_200015260668 [0,1,0,0,0,0|0,0,2]=3 157 B11R0.147 CC=CCC(=O)CCC=C(C)C 1458a_100121576822_100011217483 [0,1,0,0,0,0|2,0,0]=3 158 B11R0.147 CC=CCC(=O)NCC=C(C)C 11a_100000718196_100121576822 [0,1,0,0,0,0|3,0,0]=4 159 B11R0.147 CC=CCC(=O)NCC=C(C)C 1626a_100000718196_100121576822 [0,1,0,0,0,0|3,0,0]=4 160 B11R0.147 CC=CCC(=O)NCC=C(C)C 527a_100000718196_100121576822 [0,1,0,0,0,0|3,0,0]=4 161 B11R0.147 CCC=CC(=O)CCC=C(C)C 1458a_100000212282_100011217483 [0,1,0,0,0,0|2,0,0]=3 162 B11R0.147 CCC=CC(=O)NCC=C(C)C 11a_100000718196_100000212282 [0,1,0,0,0,0|3,0,0]=4 163 B11R0.147 CCC=CC(=O)NCC=C(C)C 1626a_100000718196_100000212282 [0,1,0,0,0,0|3,0,0]=4 164 B11R0.147 CCNN=C(C)CCC=C(C)C 4a_100000756455_100000765506 [0,1,0,0,0,0|2,0,1]=4 165 B11R0.147 CNC/C=C(\C)/CCC=C(C)C 2230a_106832991635_100016991246 [0,1,0,0,0,0|1,0,1]=3 166 B11R0.147 CNC/C=C(\C)/CCC=C(C)C 2230a_200020676162_200000210301 [0,1,0,0,0,0|1,0,1]=3 167 B11R0.147 CNC/C=C(\C)/CCC=C(C)C 34a_100102657272_100016991246 [0,1,0,0,0,0|1,0,1]=3 168 B11R0.147 CNC/C=C(\C)/CCC=C(C)C 34a_200020676162_200000210301 [0,1,0,0,0,0|1,0,1]=3 169 B11R0.147 CNC/C=C(\C)/CCC=C(C)C 7a_106832991635_100016991246 [0,1,0,0,0,0|1,0,1]=3 170 B11R0.147 COC/C=C(/C)\CCC=C(C)C 34a_100016990311_200000210301 [0,1,0,0,0,0|0,0,2]=3 171 B11R0.147 COC/C=C(/C)\CCC=C(C)C 7a_100016990311_200000210301 [0,1,0,0,0,0|0,0,2]=3 172 B11R0.147 COC/C=C(\C)/CCC=C(C)C 34a_100138415774_100016991246 [0,1,0,0,0,0|0,0,2]=3 173 B11R0.147 COC=CC(=O)CCC=C(C)C 1458a_100016268678_100011217483 [0,1,0,0,0,0|1,0,1]=3 174 B11R0.147 COC=CC(=O)NCC=C(C)C 1626a_100000718196_100016268678 [0,1,0,0,0,0|2,0,1]=4 175 B11R0.147 CSC/C=C(\C)/CCC=C(C)C 62a_100016991246_200000210301 [0,1,0,0,0,0|0,1,1]=3 176 B11R0.147 CSC/C=C(\C)/CCC=C(C)C 62a_200000210301_100016991246 [0,1,0,0,0,0|0,1,1]=3 177 B11R1.154 CC(=CCSC1CC(=O)C1)C 62a_100009894365_100000761012 [0,0,0,1,0,0|1,0,2]=4 178 B11R1.157 CC(=Cc1cc(ccn1)C)C 271570a_100102525489_100000750283 [0,0,0,1,0,0|1,0,2]=4 179 B11R1.157 CC(=Cc1cccc(c1)C)C 271570a_100102525489_100011215228 [0,0,0,1,0,0|1,0,2]=4 180 B11R1.157 CC(=Cc1cccc(n1)C)C 271570a_100102525489_100000742759 [0,0,0,1,0,0|2,0,1]=4 181 B11R1.157 CC(=Cc1nccc(n1)C)C 271570a_100102525489_100011243806 [0,0,0,1,0,0|2,0,1]=4 182 B11R1.172 CC(=CCCN1CC=CC1)C 269982a_100015195280_100011217483 [0,0,0,1,0,0|2,0,1]=4 183 B11R1.172 CC(=CCOc1ccsc1)C 34a_100000106738_100000761012 [0,0,0,1,0,0|1,1,1]=4 184 B11R1.172 CC(=CCOc1ccsc1)C 7a_100000106738_100000761012 [0,0,0,1,0,0|1,1,1]=4 185 B11R1.172 CC(=CCSc1cc[nH]n1)C 62a_100000062575_100000761012 [0,0,0,1,0,0|3,0,0]=4 186 B11R1.172 CC(=CCSc1cc[nH]n1)C 62a_100000761012_100000062575 [0,0,0,1,0,0|3,0,0]=4 187 B11R1.172 CC(=CCSc1ccco1)C 62a_100000761012_100009814098 [0,0,0,1,0,0|3,0,0]=4 188 B11R1.172 CC(=CCSc1ccco1)C 62a_100009814098_100000761012 [0,0,0,1,0,0|3,0,0]=4 189 B11R1.172 CC(=CCSc1cccs1)C 62a_100000761012_100011215356 [0,0,0,1,0,0|3,0,0]=4 190 B11R1.172 CC(=CCSc1cccs1)C 62a_100011215356_100000761012 [0,0,0,1,0,0|3,0,0]=4 191 B11R1.172 CC(=CCSc1ccoc1)C 62a_100000761012_100011215275 [0,0,0,1,0,0|1,0,2]=4 192 B11R1.172 CC(=CCSc1ccoc1)C 62a_100011215275_100000761012 [0,0,0,1,0,0|1,0,2]=4 193 B11R1.172 CC(=CCSc1ccon1)C 62a_100000761012_100009818083 [0,0,0,1,0,0|2,0,1]=4 194 B11R1.172 CC(=CCSc1ccon1)C 62a_100009818083_100000761012 [0,0,0,1,0,0|2,0,1]=4 195 B11R1.172 CC(=CCSc1ccsc1)C 62a_100000738268_100000761012 [0,0,0,1,0,0|1,1,1]=4 196 B11R1.172 CC(=CCSc1ccsc1)C 62a_100000761012_100000738268 [0,0,0,1,0,0|1,1,1]=4 197 B11R1.172 CC(=CCSc1ccsn1)C 62a_100000761012_100009818082 [0,0,0,1,0,0|2,1,0]=4 198 B11R1.172 CC(=CCSc1ccsn1)C 62a_100009818082_100000761012 [0,0,0,1,0,0|2,1,0]=4 199 B11R1.645 CC(=Cc1sc(cc1C)C)C 271570a_100102525489_100000689295 [0,0,0,1,0,0|2,0,1]=4 200 B9R0.48 C=C(C)CCC(=O)C=CBr 1458a_100016273825_100000730704 [0,0,0,0,1,0|2,0,1]=4 201 B9R0.48 C=C(C)CCC(=O)C=CC 1458a_100000210699_100000730704 [0,0,0,0,1,0|2,0,1]=4 202 B9R0.48 C=C(C)CCC(=O)C=CCl 1458a_200016279998_100000730704 [0,0,0,0,1,0|2,0,1]=4 203 B9R0.48 C=C(C)CCC(=O)C=CI 1458a_100016256311_100000730704 [0,0,0,0,1,0|2,0,1]=4 204 B9R0.48 C=CCC(=O)CC=C(C)C 1458a_100000210193_100000761012 [0,0,0,0,1,0|2,0,1]=4 205 B9R0.48 C=CCC(=O)CC=C(C)C 1458a_100011220947_100000210623 [0,0,0,0,1,0|2,0,1]=4 206 B9R0.48 C=CCN(C)CC=C(C)C 2230a_100000225617_100000761012 [0,0,0,0,1,0|2,0,1]=4 207 B9R0.48 C=CCN(C)CC=C(C)C 269982a_100000225617_100000761012 [0,0,0,0,1,0|2,0,1]=4 208 B9R0.48 CC(=CCC(=O)C=CBr)C 1458a_100016273825_100000761012 [0,0,0,0,1,0|2,0,0]=3 209 B9R0.48 CC(=CCC(=O)C=CCl)C 1458a_200016279998_100000761012 [0,0,0,0,1,0|2,0,0]=3 210 B9R0.48 CC(=CCC(=O)C=CI)C 1458a_100016256311_100000761012 [0,0,0,0,1,0|2,0,0]=3 211 B9R0.48 CC(C)CCC(=O)C=CBr 1458a_100016273825_100000210312 [0,0,0,0,1,0|2,0,1]=4 212 B9R0.48 CC(C)CCC(=O)C=CCl 1458a_200016279998_100000210312 [0,0,0,0,1,0|2,0,1]=4 213 B9R0.48 CC(C)CCC(=O)C=CI 1458a_100016256311_100000210312 [0,0,0,0,1,0|2,0,1]=4 214 B9R0.48 CC(C)CCN(C)CC=O 2230a_100000742789_200015260668 [0,0,0,0,1,0|1,0,2]=4 215 B9R0.48 CC(C)CCN(C)CC=O 269982a_100000742789_200015260668 [0,0,0,0,1,0|1,0,2]=4 216 B9R0.48 CC=CC(=O)CC=C(C)C 1458a_100000210699_100000761012 [0,0,0,0,1,0|2,0,0]=3 217 B9R0.48 CC=CC(=O)CCC(C)C 1458a_100000210699_100000210312 [0,0,0,0,1,0|2,0,1]=4 218 B9R0.48 CN(C)CCN(C)CC=O 269982a_100000225618_200015260668 [0,0,0,0,1,0|2,0,1]=4 219 B11R0.176 C/C=C/C(C)OCCC=C(C)C 34a_200102604097_100011217483 [0,0,0,0,0,1|1,0,1]=3 220 B11R0.176 C=CCC(C)COCC=C(C)C 34a_100009832082_100000761012 [0,0,0,0,0,1|1,0,2]=4 221 B11R0.176 C=CCC(C)COCC=C(C)C 7a_100009832082_100000761012 [0,0,0,0,0,1|1,0,2]=4 222 B11R0.176 C=CC[C@@H](C)OCCC=C(C)C 34a_100000731007_100011217483 [0,0,0,0,0,1|1,0,2]=4 223 B11R0.176 C=CC[C@@H](C)OCCC=C(C)C 7a_100000731007_100011217483 [0,0,0,0,0,1|1,0,2]=4 224 B11R0.176 C=COC(=O)CNCC=C(C)C 34a_100000718196_100000036128 [0,0,0,0,0,1|3,0,0]=4 225 B11R0.176 C=COC(=O)COCC=C(C)C 34a_100000753907_100000036128 [0,0,0,0,0,1|3,0,0]=4 226 B11R0.176 C=COC(=O)CSCC=C(C)C 62a_100000036128_100000761012 [0,0,0,0,0,1|3,0,0]=4 227 B11R0.176 C=COC(=O)CSCC=C(C)C 62a_100000761012_100000036128 [0,0,0,0,0,1|3,0,0]=4 228 B8R0.6 C=CC(C)OC/C=C/C 34a_100000695699_100102629194 [2,0,0,0,0,0|1,0,1]=4 229 B8R0.6 C=CC(C)OCC=CC 34a_100000695699_100000070051 [2,0,0,0,0,0|1,0,1]=4 230 B8R0.6 C=CC(C)SC/C=C/C 62a_100011215867_100102629194 [2,0,0,0,0,0|1,0,1]=4 231 B8R0.6 C=CC(C)SCC=CC 62a_100011215867_100000070051 [2,0,0,0,0,0|1,0,1]=4 232 B8R0.7 C=CCNCC=C(C)C 2230a_100020586998_100000761012 [2,0,0,0,0,0|1,0,1]=4 233 B8R0.7 C=CCNCC=C(C)C 34a_100000718196_100015514636 [2,0,0,0,0,0|1,0,1]=4 234 B8R0.7 C=CCOCC=C(C)C 34a_100000753907_100015514636 [2,0,0,0,0,0|1,0,1]=4 235 B8R0.7 C=CCOCC=C(C)C 34a_200000210373_100000761012 [2,0,0,0,0,0|1,0,1]=4 236 B8R0.7 C=CCSCC=C(C)C 62a_100000210623_100000761012 [2,0,0,0,0,0|1,0,1]=4 237 B8R0.7 C=CCSCC=C(C)C 62a_100000761012_100000210623 [2,0,0,0,0,0|1,0,1]=4 238 B8R0.7 CC(=CCNCC=O)C 34a_100000718196_200009817547 [2,0,0,0,0,0|1,0,1]=4 239 B8R0.7 CC(=CCOCC=O)C 34a_100000753907_200009817547 [2,0,0,0,0,0|1,0,1]=4 240 B8R0.7 CC(=CCSCC=O)C 62a_100000761012_200015260668 [2,0,0,0,0,0|1,0,1]=4 241 B8R0.7 CC(=CCSCC=O)C 62a_200015260668_100000761012 [2,0,0,0,0,0|1,0,1]=4 242 B8R0.28 C=C(C)CCNC(C)C 2230a_100138425928_100000730704 [2,0,0,0,0,0|1,0,1]=4 243 B8R0.28 C=C(C)CCNC(C)C 34a_100138425928_100000730704 [2,0,0,0,0,0|1,0,1]=4 244 B8R0.28 C=C(C)CCOC(C)C 34a_100000212225_100000730704 [2,0,0,0,0,0|1,0,1]=4 245 B8R0.28 C=C(C)CCOC(C)C 34a_100000764851_100000210206 [2,0,0,0,0,0|1,0,1]=4 246 B8R0.28 C=C(C)CCSC(C)C 62a_100000210206_100000730704 [2,0,0,0,0,0|1,0,1]=4 247 B8R0.28 C=C(C)CCSC(C)C 62a_100000730704_100000210206 [2,0,0,0,0,0|1,0,1]=4 248 B8R0.28 CC(=CCCN(C)C)C 2230a_100102631434_100011217483 [2,0,0,0,0,0|1,0,1]=4 249 B8R0.28 CC(=CCCN(C)C)C 269982a_100102631434_100011217483 [2,0,0,0,0,0|1,0,1]=4 250 B8R0.28 CC(=O)C/C=C/C(C)C 1458a_100016292215_200000210301 [2,0,0,0,0,0|0,0,2]=4 251 B8R0.28 CC(=O)CCC=C(C)C 1458a_100000070787_100011217483 [2,0,0,0,0,0|0,0,0]=2 252 B8R0.28 CC(=O)CCC=C(F)F 1458a_100000070787_200009816681 [2,0,0,0,0,0|2,0,0]=4 253 B8R0.28 CC(=O)CCCC(=O)C 1458a_100000070787_100011215641 [2,0,0,0,0,0|1,0,1]=4 254 B8R0.28 CC(=O)CCCC(C)C 1458a_100000070787_100011214892 [2,0,0,0,0,0|0,0,2]=4 255 B8R0.28 CC(=O)CCCC(C)C 1458a_100011216857_200000210301 [2,0,0,0,0,0|0,0,2]=4 256 B8R0.28 CC(=O)CCCN(C)C 1458a_100000070787_100000695564 [2,0,0,0,0,0|1,0,1]=4 257 B8R0.28 CC(=O)CCCN(C)C 269982a_100102631434_100011215641 [2,0,0,0,0,0|1,0,1]=4 258 B8R0.28 CC(=O)CCNC(=O)C 1458a_100000070787_100000189650 [2,0,0,0,0,0|2,0,0]=4 259 B8R0.28 CC(=O)CCNC(=O)C 1458a_100000183196_200000210301 [2,0,0,0,0,0|2,0,0]=4 260 B8R0.28 CC(=O)CCOC(=O)C 1458a_100000070787_100009814007 [2,0,0,0,0,0|2,0,0]=4 261 B8R0.28 CC(=O)CCOC(C)C 1458a_100000070787_100000211751 [2,0,0,0,0,0|1,0,1]=4 262 B8R0.28 CC(=O)CCOC(C)C 34a_100000759926_100000210206 [2,0,0,0,0,0|1,0,1]=4 263 B8R0.28 CC(=O)CCOC(C)C 7a_100000759926_100000210206 [2,0,0,0,0,0|1,0,1]=4 264 B8R0.28 CC(=O)CCSC(=O)C 1458a_100000048949_200000210301 [2,0,0,0,0,0|2,0,0]=4 265 B8R0.28 CC(=O)CCSC(C)C 1458a_100000070787_100000730970 [2,0,0,0,0,0|1,0,1]=4 266 B8R0.28 CC(=O)CCSC(C)C 62a_100000053229_100000210206 [2,0,0,0,0,0|1,0,1]=4 267 B8R0.28 CC(=O)CCSC(C)C 62a_100000210206_100000053229 [2,0,0,0,0,0|1,0,1]=4 268 B8R0.28 CC(=O)NCC=C(C)C 11a_100000718196_100015343762 [2,0,0,0,0,0|1,0,0]=3 269 B8R0.28 CC(=O)NCC=C(C)C 1626a_100000718196_100015343762 [2,0,0,0,0,0|1,0,0]=3 270 B8R0.28 CC(=O)NCC=C(C)C 527a_100000718196_100103153847 [2,0,0,0,0,0|1,0,0]=3 271 B8R0.28 CC(=O)NCCC(=O)[13CH3] 1458a_100000183196_200025704644 [2,0,0,0,0,0|2,0,0]=4 272 B8R0.28 CC(=O)SCCC(=O)[13CH3] 1458a_100000048949_200025704644 [2,0,0,0,0,0|2,0,0]=4 273 B8R0.28 CC(C)/C=C/CC(=O)[13CH3] 1458a_100016292215_200025704644 [2,0,0,0,0,0|0,0,2]=4 274 B8R0.28 CC(C)CCCC(=O)[13CH3] 1458a_100011216857_200025704644 [2,0,0,0,0,0|0,0,2]=4 275 B8R0.4 C/C=C/CCOCC=O 34a_100016278192_200009817547 [2,0,0,0,0,0|1,0,1]=4 276 B8R0.1 C/C=C/CC(=O)C=CBr 1458a_100016273825_100102629194 [2,0,0,0,0,0|2,0,0]=4 277 B8R0.1 C/C=C/CC(=O)C=CCl 1458a_200016279998_100102629194 [2,0,0,0,0,0|2,0,0]=4 278 B8R0.1 C/C=C/CC(=O)C=CI 1458a_100016256311_100102629194 [2,0,0,0,0,0|2,0,0]=4 279 B8R0.1 C=CCCC(=O)C=CBr 1458a_100016273825_100000754431 [2,0,0,0,0,0|2,0,0]=4 280 B8R0.1 C=CCCC(=O)C=CC 1458a_100000210699_100000754431 [2,0,0,0,0,0|2,0,0]=4 281 B8R0.1 C=CCCC(=O)C=CCl 1458a_200016279998_100000754431 [2,0,0,0,0,0|2,0,0]=4 282 B8R0.1 C=CCCC(=O)C=CI 1458a_100016256311_100000754431 [2,0,0,0,0,0|2,0,0]=4 283 B8R0.1 C=CCCN(C)CC=O 2230a_100020639649_200015260668 [2,0,0,0,0,0|1,0,1]=4 284 B8R0.1 C=CCCN(C)CC=O 269982a_100020639649_200015260668 [2,0,0,0,0,0|1,0,1]=4 285 B8R0.1 CC=CC(=O)C/C=C/C 1458a_100000210699_100102629194 [2,0,0,0,0,0|2,0,0]=4 286 B8R0.1 CC=CCC(=O)C=CBr 1458a_100016273825_100000070051 [2,0,0,0,0,0|2,0,0]=4 287 B8R0.1 CC=CCC(=O)C=CC 1458a_100000210699_100000070051 [2,0,0,0,0,0|2,0,0]=4 288 B8R0.1 CC=CCC(=O)C=CCl 1458a_200016279998_100000070051 [2,0,0,0,0,0|2,0,0]=4 289 B8R0.1 CC=CCC(=O)C=CI 1458a_100016256311_100000070051 [2,0,0,0,0,0|2,0,0]=4 290 B10R0.57 C/C=C(\C)/C(=O)CC=C(C)C 1458a_100020587367_100000761012 [1,1,0,0,0,0|0,0,2]=4 291 B10R0.57 C=CC(C)C(=O)CC=C(C)C 1458a_100011216780_100000761012 [1,1,0,0,0,0|0,0,2]=4 292 B10R0.65 C=CC(C)(C)OCC=C(C)C 34a_100011215311_100000761012 [1,1,0,0,0,0|1,0,1]=4 293 B10R0.65 C=CC(C)(C)OCC=C(C)C 7a_100011215311_100000761012 [1,1,0,0,0,0|1,0,1]=4 294 B10R0.77 C=CC(CC)OCC=C(C)C 34a_100000766422_100000761012 [1,1,0,0,0,0|1,0,1]=4 295 B10R0.77 C=CC(CC)OCC=C(C)C 7a_100000766422_100000761012 [1,1,0,0,0,0|1,0,1]=4 296 B10R0.77 C=C[C@@H](CO)NCC=C(C)C 2230a_100016989147_100000761012 [1,1,0,0,0,0|1,0,1]=4 297 B10R0.77 C=C[C@@H](CO)NCC=C(C)C 34a_100016989147_100000761012 [1,1,0,0,0,0|1,0,1]=4 298 B10R0.98 C=C(Br)C(=O)NCC=C(C)C 11a_100000718196_100009813364 [1,1,0,0,0,0|2,0,0]=4 299 B10R0.98 C=C(Br)C(=O)NCC=C(C)C 1626a_100000718196_100009813364 [1,1,0,0,0,0|2,0,0]=4 300 B10R0.98 C=C(C)C(=O)CCC=C(C)C 1458a_100000185857_100011217483 [1,1,0,0,0,0|1,0,0]=3 301 B10R0.98 C=C(C)C(=O)NCC=C(C)C 11a_100000718196_100000185857 [1,1,0,0,0,0|2,0,0]=4 302 B10R0.98 C=C(C)C(=O)NCC=C(C)C 1626a_100000718196_100000185857 [1,1,0,0,0,0|2,0,0]=4 303 B10R0.98 C=C(Cl)C(=O)NCC=C(C)C 11a_100000718196_100000039160 [1,1,0,0,0,0|2,0,0]=4 304 B10R0.98 C=C(Cl)C(=O)NCC=C(C)C 1626a_100000718196_100000039160 [1,1,0,0,0,0|2,0,0]=4 305 B10R0.98 C=C(F)C(=O)NCC=C(C)C 11a_100000718196_100000036797 [1,1,0,0,0,0|2,0,0]=4 306 B10R0.98 C=C(F)C(=O)NCC=C(C)C 1626a_100000718196_100000036797 [1,1,0,0,0,0|2,0,0]=4 307 B10R0.98 CC(=CCNC(C)C(=O)N)C 34a_100000718196_100000702099 [1,1,0,0,0,0|1,0,1]=4 308 B10R0.98 CC(=CCN[C@@H](C)C(=O)O)C 269956a_100000743915_100000761012 [1,1,0,0,0,0|1,0,1]=4 309 B10R0.98 CC(=CCN[C@H](C)C(=O)N)C 2230a_100000119354_100000761012 [1,1,0,0,0,0|1,0,1]=4 310 B10R0.98 CC(=CCN[C@H](C)C(=O)N)C 34a_100000119354_100000761012 [1,1,0,0,0,0|1,0,1]=4 311 B10R0.98 CC(=CCOC(C)C(=O)N)C 34a_100000753907_100000702099 [1,1,0,0,0,0|1,0,1]=4 312 B10R0.98 CC(=CCO[C@@H](C)C(=O)[O-])C 7a_217856618621_100000761012 [1,1,0,0,0,0|1,0,1]=4 313 B10R0.98 CC(=CCO[C@H](C)C(=O)N)C 34a_100000731257_100000761012 [1,1,0,0,0,0|1,0,1]=4 314 B10R0.98 CC(=CCO[C@H](C)C(=O)N)C 7a_100000731257_100000761012 [1,1,0,0,0,0|1,0,1]=4 315 B10R0.98 CC(=CCSC(C)C(=O)N)C 62a_100000702099_100000761012 [1,1,0,0,0,0|1,0,1]=4 316 B10R0.98 CC(=CCSC(C)C(=O)N)C 62a_100000761012_100000702099 [1,1,0,0,0,0|1,0,1]=4 317 B10R0.98 CC(=O)C(C)OCC=C(C)C 34a_100000212229_100000761012 [1,1,0,0,0,0|1,0,1]=4 318 B10R0.98 CC(=O)C(C)SCC=C(C)C 62a_100000761012_100009814033 [1,1,0,0,0,0|1,0,1]=4 319 B10R0.98 CC(=O)C(C)SCC=C(C)C 62a_100009814033_100000761012 [1,1,0,0,0,0|1,0,1]=4 320 B10R0.4 C/C=C/CCOCC=C(C)C 34a_100016278192_100000761012 [1,1,0,0,0,0|1,0,1]=4 321 B10R0.4 C/C=C/COCCC=C(C)C 34a_100016270725_100011217483 [1,1,0,0,0,0|1,0,1]=4 322 B10R0.4 C/C=C/CSCCC=C(C)C 62a_100011217483_100102629194 [1,1,0,0,0,0|1,0,1]=4 323 B10R0.4 C/C=C/CSCCC=C(C)C 62a_100102629194_100011217483 [1,1,0,0,0,0|1,0,1]=4 324 B10R0.4 CC(=CCSCCCC=O)C 62a_100000761012_200011292268 [1,1,0,0,0,0|0,0,2]=4 325 B10R0.4 CC(=CCSCCCC=O)C 62a_200011292268_100000761012 [1,1,0,0,0,0|0,0,2]=4 326 B10R0.4 CC/C=C\CNCC=C(C)C 34a_100000718196_100103147603 [1,1,0,0,0,0|1,0,1]=4 327 B10R0.4 CC/C=C\COCC=C(C)C 34a_100000753907_100103147603 [1,1,0,0,0,0|1,0,1]=4 328 B10R0.4 CC/C=C\COCC=C(C)C 34a_100016268518_100000761012 [1,1,0,0,0,0|1,0,1]=4 329 B10R0.4 CC/C=C\CSCC=C(C)C 62a_100000761012_100103147603 [1,1,0,0,0,0|1,0,1]=4 330 B10R0.4 CC/C=C\CSCC=C(C)C 62a_100103147603_100000761012 [1,1,0,0,0,0|1,0,1]=4 331 B10R0.4 CC=CCSCCC=C(C)C 62a_100000070051_100011217483 [1,1,0,0,0,0|1,0,1]=4 332 B10R0.4 CC=CCSCCC=C(C)C 62a_100011217483_100000070051 [1,1,0,0,0,0|1,0,1]=4 333 B10R0.78 C=CC=CC(=O)CC=C(C)C 1458a_100016291481_100000761012 [1,1,0,0,0,0|1,0,1]=4 334 B10R0.97 CC(=CCCNCC(=O)N)C 2230a_100000711301_100011217483 [1,1,0,0,0,0|1,0,1]=4 335 B10R0.97 CC(=CCCNCC(=O)O)C 269956a_100016091260_100011217483 [1,1,0,0,0,0|1,0,1]=4 336 B10R0.97 CC(=CCCSCC(=O)N)C 62a_100000747473_100011217483 [1,1,0,0,0,0|1,0,1]=4 337 B10R0.97 CC(=CCCSCC(=O)N)C 62a_100011217483_100000747473 [1,1,0,0,0,0|1,0,1]=4 338 B10R0.97 CC(=CCCSCC(=O)[O-])C 62a_100011217483_100020667443 [1,1,0,0,0,0|1,0,1]=4 339 B10R0.97 CC(=CCCSCC(=O)[O-])C 62a_100020667443_100011217483 [1,1,0,0,0,0|1,0,1]=4 340 B10R0.97 CC(=O)COCCC=C(C)C 34a_100000211253_100011217483 [1,1,0,0,0,0|1,0,1]=4 341 B10R0.1 CC/C=C\CCC(=O)C=CBr 1458a_100016273825_100015370543 [1,1,0,0,0,0|2,0,0]=4 342 B10R0.1 CC/C=C\CCC(=O)C=CCl 1458a_200016279998_100015370543 [1,1,0,0,0,0|2,0,0]=4 343 B10R0.1 CC/C=C\CCC(=O)C=CI 1458a_100016256311_100015370543 [1,1,0,0,0,0|2,0,0]=4 344 B10R0.1 CC=CC(=O)CC/C=C\CC 1458a_100000210699_100015370543 [1,1,0,0,0,0|2,0,0]=4 345 B10R0.96 CC(=CCC(=O)C=C(C)C)C 1458a_100000211388_100000761012 [0,1,0,0,1,0|2,0,0]=4 346 B10R0.96 CC(=CCC(=O)C=C(C)Cl)C 1458a_200042562850_100000761012 [0,1,0,0,1,0|2,0,0]=4 347 B10R0.96 CC(=CCC(=O)C=C(C)I)C 1458a_100025716642_100000761012 [0,1,0,0,1,0|2,0,0]=4 348 B10R0.96 CC(=CCC(=O)C=C(Cl)Cl)C 1458a_100000137448_100000761012 [0,1,0,0,1,0|2,0,0]=4 349 B10R0.96 CC(=CCC(=O)CC(=O)N)C 1458a_100011220947_100000187820 [0,1,0,0,1,0|1,0,1]=4 350 B10R0.96 CC(=CCC(=O)CC(=O)N)C 1458a_100134613110_100000761012 [0,1,0,0,1,0|1,0,1]=4 351 B10R0.96 CC(=CCC(=O)CC(=O)[O-])C 1458a_100011220947_100020667443 [0,1,0,0,1,0|1,0,1]=4 352 B10R0.96 CC(=CCN(C)CC(=O)N)C 2230a_100000739694_100000761012 [0,1,0,0,1,0|1,0,1]=4 353 B10R0.96 CC(=CCN(C)CC(=O)O)C 269956a_100000746989_100000761012 [0,1,0,0,1,0|1,0,1]=4 354 B12R0.54 CC/C=C(\C)/C(=O)CCC=C(C)C 1458a_100016988807_100011217483 [0,1,0,0,0,1|1,0,1]=4 355 B12R0.270 CC(=CCCOC(C)C=C(C)C)C 34a_100000717055_100011217483 [0,1,0,0,0,1|1,0,1]=4 356 B12R0.270 CC(=CCSCC(=O)NC(=O)N)C 62a_100000761012_100000182717 [0,1,0,0,0,1|2,0,0]=4 357 B12R0.270 CC(=O)NC(=O)CSCC=C(C)C 62a_100000761012_100000183797 [0,1,0,0,0,1|2,0,0]=4 358 B12R0.270 CC(=O)OC(C)SCCC=C(C)C 62a_100009818208_100011217483 [0,1,0,0,0,1|1,0,1]=4 359 B12R0.270 CC(=O)OC(C)SCCC=C(C)C 62a_100011217483_100009818208 [0,1,0,0,0,1|1,0,1]=4 360 B12R0.240 CC(=CCCC(=CC(=O)CF)C)C 1458a_100016995320_100015361967 [0,2,0,0,0,0|0,0,0]=2 361 B12R0.240 CC(=CCCC(C)CC(=O)CF)C 1458a_100000043202_100015361967 [0,2,0,0,0,0|0,0,2]=4 362 B12R0.240 CCC(=CC(=O)CCC=C(C)C)C 1458a_100020758463_100011217483 [0,2,0,0,0,0|2,0,0]=4 363 B12R0.240 CCC(=O)C=C(C)CCC=C(C)C 1458a_100016995320_100000210202 [0,2,0,0,0,0|0,0,0]=2 364 B12R0.240 CCC(=O)CC(C)CCC=C(C)C 1458a_100000043202_100000210202 [0,2,0,0,0,0|0,0,2]=4 365 B12R0.240 CNC(=O)C=C(C)CCC=C(C)C 11a_106832991635_100016995320 [0,2,0,0,0,0|0,0,0]=2 366 B12R0.240 CNC(=O)C=C(C)CCC=C(C)C 1626a_100102657272_100016995320 [0,2,0,0,0,0|0,0,0]=2 367 B12R0.240 CNC(=O)C=C(C)CCC=C(C)C 240690a_100102657272_100016995320 [0,2,0,0,0,0|0,0,0]=2 368 B12R0.240 CNC(=O)CC(C)CCC=C(C)C 11a_106832991635_100000043202 [0,2,0,0,0,0|0,0,2]=4 369 B12R0.240 CNC(=O)CC(C)CCC=C(C)C 1626a_100102657272_100000043202 [0,2,0,0,0,0|0,0,2]=4 370 B12R0.240 CNC(=O)CC(C)CCC=C(C)C 240690a_100102657272_100000043202 [0,2,0,0,0,0|0,0,2]=4 371 B12R0.240 CNC(=O)CC(C)CCC=C(C)C 527a_100102657272_100000043202 [0,2,0,0,0,0|0,0,2]=4 372 B12R0.240 CNC(=O)CN(C)CCC=C(C)C 2230a_100000189611_100011217483 [0,2,0,0,0,0|1,0,1]=4 373 B12R0.240 COC(=O)CC(=O)CCC=C(C)C 1458a_100000211351_100011217483 [0,2,0,0,0,0|1,0,1]=4 374 B12R0.240 COC(=O)CN(C)CCC=C(C)C 2230a_100000198492_100011217483 [0,2,0,0,0,0|1,0,1]=4 375 B12R0.535 CC(=CCCN(CO)CC(=O)[O-])C 269956a_100016989150_100011217483 [0,2,0,0,0,0|1,0,1]=4 376 B12R0.535 CCN(CCC=C(C)C)CC(=O)O 269956a_100000746405_100011217483 [0,2,0,0,0,0|1,0,1]=4 377 B12R0.686 CC(=CCCN(C)C(C)C(=O)O)C 269956a_100000749554_100011217483 [0,2,0,0,0,0|1,0,1]=4 378 B12R0.44 CC(=CCC/C(=C/CN(C)C)/C)C 2230a_100102631434_100016991246 [0,2,0,0,0,0|1,0,1]=4 379 B12R0.44 CC(=CCC/C(=C/CN(C)C)/C)C 269982a_100102631434_100016991246 [0,2,0,0,0,0|1,0,1]=4 380 B12R0.44 CC(=CCCC(=O)C=CC(C)C)C 1458a_100016268746_100011217483 [0,2,0,0,0,0|2,0,0]=4 381 B12R0.44 CC(=CCCC(=O)CC=C(C)C)C 1458a_100011220947_100011217483 [0,2,0,0,0,0|2,0,0]=4 382 B12R0.44 CC(=CCCC(=O)CCC(=O)N)C 1458a_100011215257_100011217483 [0,2,0,0,0,0|1,0,1]=4 383 B12R0.44 CC(=CCCC(=O)CNC(=O)N)C 1458a_100000184981_100011217483 [0,2,0,0,0,0|1,0,1]=4 384 B12R0.44 CC(=CCCC(C)OCC(=O)N)C 34a_100102619829_100000187820 [0,2,0,0,0,0|0,0,2]=4 385 B12R0.44 CC(=CCCC(C)OCC(=O)N)C 7a_100102619829_100000187820 [0,2,0,0,0,0|0,0,2]=4 386 B12R0.44 CC(=CCCC(C)OCC(=O)[O-])C 34a_100102619829_100020667443 [0,2,0,0,0,0|0,0,2]=4 387 B12R0.44 CC(=CCCN(C)CCC(=O)N)C 2230a_100000730477_100011217483 [0,2,0,0,0,0|1,0,1]=4 388 B12R0.44 CC(=O)C/C=C(\C)/CCC=C(C)C 1458a_100000070787_100016991246 [0,2,0,0,0,0|0,0,0]=2 389 B12R0.44 CC(=O)CCC(C)CCC=C(C)C 1458a_100000070787_100009814015 [0,2,0,0,0,0|0,0,2]=4 390 B12R0.44 CC(=O)NCC(=O)CCC=C(C)C 1458a_100000194580_100011217483 [0,2,0,0,0,0|1,0,1]=4 391 B12R0.44 CC(=O)NN=C(C)CCC=C(C)C 4a_100000189765_100000765506 [0,2,0,0,0,0|1,0,0]=3 392 B12R0.44 CC(=O)OCC(=O)CCC=C(C)C 1458a_100000183556_100011217483 [0,2,0,0,0,0|1,0,1]=4 393 B12R0.44 CC(=O)SCC(=O)CCC=C(C)C 1458a_100000049016_100011217483 [0,2,0,0,0,0|1,0,1]=4 394 B12R0.233 C/C=C/C=CC(=O)CCC=C(C)C 1458a_100000185730_100011217483 [0,2,0,0,0,0|2,0,0]=4 395 B12R0.233 C/C=C/COC(C)CCC=C(C)C 34a_100102619829_100102629194 [0,2,0,0,0,0|1,0,1]=4 396 B12R0.233 C/C=C/COC(C)CCC=C(C)C 7a_100102619829_100102629194 [0,2,0,0,0,0|1,0,1]=4 397 B12R0.233 CC(=CCC/C(=C/CNCF)/C)C 34a_200020676162_100015361967 [0,2,0,0,0,0|1,0,1]=4 398 B12R0.233 CC(=CCC/C(=C/CSCF)/C)C 62a_100015361967_100016991246 [0,2,0,0,0,0|0,1,1]=4 399 B12R0.233 CC(=CCC/C(=C/CSCF)/C)C 62a_100016991246_100015361967 [0,2,0,0,0,0|0,1,1]=4 400 B12R0.233 CC(=CCC/C(=C\COCF)/C)C 34a_100016990311_100015361967 [0,2,0,0,0,0|0,0,2]=4 401 B12R0.233 CC(=CCC/C(=C\COCF)/C)C 7a_100016990311_100015361967 [0,2,0,0,0,0|0,0,2]=4 402 B12R0.233 CC/C=C/CC(=O)CCC=C(C)C 1458a_100016274230_100011217483 [0,2,0,0,0,0|2,0,0]=4 403 B12R0.233 CC=CCOC(C)CCC=C(C)C 34a_100102619829_100000070051 [0,2,0,0,0,0|1,0,1]=4 404 B12R0.233 CC=CCOC(C)CCC=C(C)C 7a_100102619829_100000070051 [0,2,0,0,0,0|1,0,1]=4 405 B12R0.233 CCCC=CC(=O)CCC=C(C)C 1458a_100000212230_100011217483 [0,2,0,0,0,0|2,0,0]=4 406 B12R0.233 CCNC/C=C(\C)/CCC=C(C)C 2230a_100015525214_100016991246 [0,2,0,0,0,0|1,0,1]=4 407 B12R0.233 CCNC/C=C(\C)/CCC=C(C)C 2230a_200020676162_100000210202 [0,2,0,0,0,0|1,0,1]=4 408 B12R0.233 CCNC/C=C(\C)/CCC=C(C)C 34a_200020676162_100000210202 [0,2,0,0,0,0|1,0,1]=4 409 B12R0.233 CCOC/C=C(/C)\CCC=C(C)C 34a_100016990311_100000210202 [0,2,0,0,0,0|0,0,2]=4 410 B12R0.233 CCOC/C=C(/C)\CCC=C(C)C 7a_100016990311_100000210202 [0,2,0,0,0,0|0,0,2]=4 411 B12R0.233 CCOC/C=C(\C)/CCC=C(C)C 34a_100121572206_100016991246 [0,2,0,0,0,0|0,0,2]=4 412 B12R0.233 CCOC=CC(=O)CCC=C(C)C 1458a_100016266692_100011217483 [0,2,0,0,0,0|1,0,1]=4 413 B12R0.233 CCSC/C=C(\C)/CCC=C(C)C 62a_100000210202_100016991246 [0,2,0,0,0,0|0,1,1]=4 414 B12R0.233 CCSC/C=C(\C)/CCC=C(C)C 62a_100016991246_100000210202 [0,2,0,0,0,0|0,1,1]=4 415 B12R0.233 COCC=CC(=O)CCC=C(C)C 1458a_100016285016_100011217483 [0,2,0,0,0,0|1,0,1]=4 416 B10R1.54 CC(=Cc1ccc(s1)C)C 271570a_100102525489_100000761539 [1,0,0,1,0,0|1,0,1]=4 417 B10R1.10 CC1=CCCN(C1)CC=O 2230a_100000725631_200015260668 [1,0,0,1,0,0|1,0,1]=4 418 B10R1.10 CC1=CCCN(C1)CC=O 269982a_100000725631_200015260668 [1,0,0,1,0,0|1,0,1]=4 419 B10R1.10 CC1=CCCN(C1)CC=O 34a_100000725631_200009817547 [1,0,0,1,0,0|1,0,1]=4 420 B10R1.1 CC1=CCN(CC1)CC=O 2230a_100000693516_200015260668 [0,0,0,1,1,0|1,0,1]=4 421 B10R1.1 CC1=CCN(CC1)CC=O 269982a_100000693516_200015260668 [0,0,0,1,1,0|1,0,1]=4 422 B10R1.1 CC1=CCN(CC1)CC=O 34a_100000693516_200009817547 [0,0,0,1,1,0|1,0,1]=4 423 B12R1.17 CC1=CCCN(C1)C(=O)C=CBr 1626a_100000725631_100016273825 [0,0,0,1,0,1|2,0,0]=4 424 B12R1.17 CC1=CCCN(C1)C(=O)C=CBr 240690a_100000725631_100016273825 [0,0,0,1,0,1|2,0,0]=4 425 B12R1.17 CC1=CCCN(C1)C(=O)C=CCl 11a_100000725631_200016279998 [0,0,0,1,0,1|2,0,0]=4 426 B12R1.17 CC1=CCCN(C1)C(=O)C=CCl 1626a_100000725631_200016279998 [0,0,0,1,0,1|2,0,0]=4 427 B12R1.17 CC1=CCCN(C1)C(=O)C=CCl 240690a_100000725631_200016279998 [0,0,0,1,0,1|2,0,0]=4 428 B12R1.17 CC1=CCCN(C1)C(=O)C=CI 1626a_100000725631_100016256311 [0,0,0,1,0,1|2,0,0]=4 429 B12R1.17 CC=CC(=O)N1CCC=C(C1)C 11a_100000725631_100000210699 [0,0,0,1,0,1|2,0,0]=4 430 B12R1.17 CC=CC(=O)N1CCC=C(C1)C 1626a_100000725631_100000210699 [0,0,0,1,0,1|2,0,0]=4 431 B12R1.17 CC=CC(=O)N1CCC=C(C1)C 240690a_100000725631_100000210699 [0,0,0,1,0,1|2,0,0]=4 432 B12R1.130 CC(=CCSc1sccc1C)C 62a_100000761012_100010247149 [0,0,0,1,0,1|0,1,1]=4 433 B12R1.130 CC(=CCSc1sccc1C)C 62a_100010247149_100000761012 [0,0,0,1,0,1|0,1,1]=4 434 B12R1.220 CC(=CCCSC1CC(=O)C1)C 62a_100009894365_100011217483 [0,0,0,1,0,1|0,0,2]=4 435 B12R1.220 CC(=CCOCC1CC(=O)C1)C 34a_100000101936_100000761012 [0,0,0,1,0,1|0,0,2]=4 436 B12R1.220 CC(=CCSCC1CC(=O)C1)C 62a_100000761012_100009874392 [0,0,0,1,0,1|0,0,2]=4 437 B12R1.220 CC(=CCSCC1CC(=O)C1)C 62a_100009874392_100000761012 [0,0,0,1,0,1|0,0,2]=4 438 B12R1.226 CC(=CCN1CCC=C(C1)C)C 2230a_100000725631_100000761012 [0,0,0,1,0,1|1,0,1]=4 439 B12R1.226 CC(=CCN1CCC=C(C1)C)C 269982a_100000725631_100000761012 [0,0,0,1,0,1|1,0,1]=4 440 B12R1.226 CC(=CCN1CCC=C(C1)C)C 34a_100000725631_100000761012 [0,0,0,1,0,1|1,0,1]=4 441 B12R1.255 CC(=CCCOc1ccsc1)C 34a_100000106738_100011217483 [0,0,0,1,0,1|0,1,1]=4 442 B12R1.255 CC(=CCCOc1ccsc1)C 7a_100000106738_100011217483 [0,0,0,1,0,1|0,1,1]=4 443 B12R1.255 CC(=CCCSc1cc[nH]n1)C 62a_100000062575_100011217483 [0,0,0,1,0,1|2,0,0]=4 444 B12R1.255 CC(=CCCSc1cc[nH]n1)C 62a_100011217483_100000062575 [0,0,0,1,0,1|2,0,0]=4 445 B12R1.255 CC(=CCCSc1ccco1)C 62a_100009814098_100011217483 [0,0,0,1,0,1|2,0,0]=4 446 B12R1.255 CC(=CCCSc1ccco1)C 62a_100011217483_100009814098 [0,0,0,1,0,1|2,0,0]=4 447 B12R1.255 CC(=CCCSc1cccs1)C 62a_100011215356_100011217483 [0,0,0,1,0,1|2,0,0]=4 448 B12R1.255 CC(=CCCSc1cccs1)C 62a_100011217483_100011215356 [0,0,0,1,0,1|2,0,0]=4 449 B12R1.255 CC(=CCCSc1ccoc1)C 62a_100011215275_100011217483 [0,0,0,1,0,1|0,0,2]=4 450 B12R1.255 CC(=CCCSc1ccoc1)C 62a_100011217483_100011215275 [0,0,0,1,0,1|0,0,2]=4 451 B12R1.255 CC(=CCCSc1ccon1)C 62a_100009818083_100011217483 [0,0,0,1,0,1|1,0,1]=4 452 B12R1.255 CC(=CCCSc1ccon1)C 62a_100011217483_100009818083 [0,0,0,1,0,1|1,0,1]=4 453 B12R1.255 CC(=CCCSc1ccsc1)C 62a_100000738268_100011217483 [0,0,0,1,0,1|0,1,1]=4 454 B12R1.255 CC(=CCCSc1ccsc1)C 62a_100011217483_100000738268 [0,0,0,1,0,1|0,1,1]=4 455 B12R1.255 CC(=CCCSc1ccsn1)C 62a_100009818082_100011217483 [0,0,0,1,0,1|1,1,0]=4 456 B12R1.255 CC(=CCCSc1ccsn1)C 62a_100011217483_100009818082 [0,0,0,1,0,1|1,1,0]=4 457 B12R1.255 CC(=CCNCc1cc[nH]n1)C 270004a_100000718196_100000738523 [0,0,0,1,0,1|2,0,0]=4 458 B12R1.255 CC(=CCNCc1ccco1)C 2230a_100000185738_100000761012 [0,0,0,1,0,1|2,0,0]=4 459 B12R1.255 CC(=CCNCc1ccco1)C 270004a_100000718196_100000186105 [0,0,0,1,0,1|2,0,0]=4 460 B12R1.255 CC(=CCNCc1ccco1)C 34a_100000185738_100000761012 [0,0,0,1,0,1|2,0,0]=4 461 B12R1.255 CC(=CCNCc1cccs1)C 2230a_100000211653_100000761012 [0,0,0,1,0,1|2,0,0]=4 462 B12R1.255 CC(=CCNCc1cccs1)C 270004a_100000718196_100000209959 [0,0,0,1,0,1|2,0,0]=4 463 B12R1.255 CC(=CCNCc1ccn[nH]1)C 34a_100000718196_100000728653 [0,0,0,1,0,1|2,0,0]=4 464 B12R1.255 CC(=CCNCc1ccoc1)C 2230a_100015206860_100000761012 [0,0,0,1,0,1|0,0,2]=4 465 B12R1.255 CC(=CCNCc1ccoc1)C 270004a_100000718196_100011215517 [0,0,0,1,0,1|0,0,2]=4 466 B12R1.255 CC(=CCNCc1ccoc1)C 34a_100015206860_100000761012 [0,0,0,1,0,1|0,0,2]=4 467 B12R1.255 CC(=CCNCc1ccon1)C 34a_100000718196_100000234950 [0,0,0,1,0,1|1,0,1]=4 468 B12R1.255 CC(=CCNCc1ccsc1)C 2230a_100000186416_100000761012 [0,0,0,1,0,1|0,1,1]=4 469 B12R1.255 CC(=CCNCc1ccsc1)C 270004a_100000718196_100000188534 [0,0,0,1,0,1|0,1,1]=4 470 B12R1.255 CC(=CCNCc1ccsc1)C 34a_100000186416_100000761012 [0,0,0,1,0,1|0,1,1]=4 471 B12R1.255 CC(=CCNCc1ccsc1)C 34a_100000718196_100011261437 [0,0,0,1,0,1|0,1,1]=4 472 B12R1.255 CC(=CCOCc1ccco1)C 34a_100000210059_100000761012 [0,0,0,1,0,1|2,0,0]=4 473 B12R1.255 CC(=CCOCc1cccs1)C 34a_100000211240_100000761012 [0,0,0,1,0,1|2,0,0]=4 474 B12R1.255 CC(=CCOCc1ccn[nH]1)C 34a_100000753907_100000728653 [0,0,0,1,0,1|2,0,0]=4 475 B12R1.255 CC(=CCOCc1ccno1)C 34a_100000740478_100000761012 [0,0,0,1,0,1|2,0,0]=4 476 B12R1.255 CC(=CCOCc1ccoc1)C 34a_100011215357_100000761012 [0,0,0,1,0,1|0,0,2]=4 477 B12R1.255 CC(=CCOCc1ccon1)C 34a_100000753907_100000234950 [0,0,0,1,0,1|1,0,1]=4 478 B12R1.255 CC(=CCOCc1ccsc1)C 34a_100000753907_100011261437 [0,0,0,1,0,1|0,1,1]=4 479 B12R1.255 CC(=CCOCc1ccsc1)C 34a_100011215551_100000761012 [0,0,0,1,0,1|0,1,1]=4 480 B12R1.255 CC(=CCSCc1ccn[nH]1)C 62a_100000728653_100000761012 [0,0,0,1,0,1|2,0,0]=4 481 B12R1.255 CC(=CCSCc1ccn[nH]1)C 62a_100000761012_100000728653 [0,0,0,1,0,1|2,0,0]=4 482 B12R1.255 CC(=CCSCc1ccon1)C 62a_100000234950_100000761012 [0,0,0,1,0,1|1,0,1]=4 483 B12R1.255 CC(=CCSCc1ccon1)C 62a_100000761012_100000234950 [0,0,0,1,0,1|1,0,1]=4 484 B12R1.255 CC(=CCSCc1ccsc1)C 62a_100000761012_100011233845 [0,0,0,1,0,1|0,1,1]=4 485 B12R1.255 CC(=CCSCc1ccsc1)C 62a_100011261437_100000761012 [0,0,0,1,0,1|0,1,1]=4 486 B12R1.66 CC(=Cc1cc(c(s1)C=O)C)C 271570a_100102525489_100010221198 [0,1,0,1,0,0|0,0,2]=4 487 B12R1.66 CC(=Cc1nc(c(o1)C)C=O)C 271570a_100102525489_200010262729 [0,1,0,1,0,0|1,0,1]=4 488 B12R1.66 CC(=Cc1nc(c(s1)C=O)C)C 271570a_100102525489_100010339034 [0,1,0,1,0,0|1,0,1]=4 489 B12R1.105 CC(=CCCN1CNC(=O)C1)C 2230a_200000708111_100011217483 [0,1,0,1,0,0|1,0,1]=4 490 B12R1.252 CC(=CCCN1CC=CCC1)C 2230a_100000698166_100011217483 [0,1,0,1,0,0|2,0,0]=4 491 B12R1.252 CC(=CCCN1CC=CCC1)C 269982a_100000698166_100011217483 [0,1,0,1,0,0|2,0,0]=4 492 B12R1.252 CC(=CCCN1CC=CCC1)C 34a_100000698166_100011217483 [0,1,0,1,0,0|2,0,0]=4 493 B12R1.65 CC(=Cc1cc(sc1C=O)C)C 271570a_100102525489_100011361552 [0,1,0,1,0,0|0,0,2]=4 494 B12R1.127 CC(=Cc1nc(c[nH]c1=O)C)C 271570a_100102525489_100009858157 [0,1,0,1,0,0|1,0,1]=4 495 B8R0.9 C=CC(=O)CC=C(C)C 1458a_100000185746_100000761012 [1,0,0,0,1,0|1,0,0]=3 496 B8R0.9 C=CC(=O)CCC(=C)C 1458a_100000185746_100000730704 [1,0,0,0,1,0|1,0,1]=4 497 B8R0.9 C=CC(=O)CCC(C)C 1458a_100000185746_100000210312 [1,0,0,0,1,0|1,0,1]=4