0 B11R1.34 CCOc1cc(=O)cc(o1)C 34a_100016989201_100000210202 [0,0,0,0,0,0|2,0,2]=4 1 B10R1.10 CC1=CCCN(C1)CCF 2230a_100000725631_100011217306 [1,0,0,0,0,0|2,0,1]=4 2 B10R1.10 CC1=CCCN(C1)CCF 269982a_100000725631_100011217306 [1,0,0,0,0,0|2,0,1]=4 3 B10R1.10 CC1=CCCN(C1)CCF 34a_100000725631_100011217306 [1,0,0,0,0,0|2,0,1]=4 4 B10R1.10 CC1=CCCN(C1)CCO 2230a_100000725631_100000211926 [1,0,0,0,0,0|2,0,1]=4 5 B10R1.10 CC1=CCCN(C1)CCO 269982a_100000725631_100000211926 [1,0,0,0,0,0|2,0,1]=4 6 B10R1.10 CC1=CCCN(C1)CCO 34a_100000725631_100000211926 [1,0,0,0,0,0|2,0,1]=4 7 B10R1.10 CCCN1CCC=C(C1)C 2230a_100000725631_100000210303 [1,0,0,0,0,0|1,0,1]=3 8 B10R1.10 CCCN1CCC=C(C1)C 269982a_100000725631_100000210303 [1,0,0,0,0,0|1,0,1]=3 9 B10R1.10 CCCN1CCC=C(C1)C 34a_100000725631_100000210303 [1,0,0,0,0,0|1,0,1]=3 10 B10R1.10 CCCN1CCNC(=O)C1 2230a_100000184651_100000210303 [1,0,0,0,0,0|2,0,1]=4 11 B10R1.10 CCCN1CCOC(=O)C1 2230a_100000131268_100000210303 [1,0,0,0,0,0|2,0,1]=4 12 B10R1.10 CCNC1CCNC(=O)C1 2230a_100016994916_100000210202 [1,0,0,0,0,0|2,0,1]=4 13 B10R1.10 CCNC1CCNC(=O)C1 34a_100016994916_100000210202 [1,0,0,0,0,0|2,0,1]=4 14 B10R1.10 CCOC1CCCC(=O)C1 34a_100012613340_100000210202 [1,0,0,0,0,0|1,0,2]=4 15 B10R1.10 CCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210202 [1,0,0,0,0,0|2,0,1]=4 16 B10R1.10 COCC1CCNC(=O)C1 34a_100009886756_200000210301 [1,0,0,0,0,0|2,0,1]=4 17 B10R1.10 COCN1CCC=C(C1)C 2230a_100000725631_100000766300 [1,0,0,0,0,0|2,0,1]=4 18 B10R1.10 COCN1CCC=C(C1)C 269982a_100000725631_100000766300 [1,0,0,0,0,0|2,0,1]=4 19 B10R1.10 CSCN1CCC=C(C1)C 2230a_100000725631_100011218213 [1,0,0,0,0,0|2,0,1]=4 20 B10R1.10 CSCN1CCC=C(C1)C 269982a_100000725631_100011218213 [1,0,0,0,0,0|2,0,1]=4 21 B10R1.10 CSCN1CCC=C(C1)C 34a_100000725631_100011218213 [1,0,0,0,0,0|2,0,1]=4 22 B10R1.10 [13CH3]OCC1CCNC(=O)C1 34a_100009886756_200025704644 [1,0,0,0,0,0|2,0,1]=4 23 B12R1.100 CCCOc1cc(=O)cc(o1)C 34a_100016989201_100000210303 [0,1,0,0,0,0|1,0,2]=4 24 B12R1.101 CC(=O)CC1CC(=O)NC(=O)C1 1458a_100000049033_200000210301 [0,1,0,0,0,0|2,0,1]=4 25 B12R1.101 [13CH3]C(=O)CC1CC(=O)NC(=O)C1 1458a_100000049033_200025704644 [0,1,0,0,0,0|2,0,1]=4 26 B12R1.358 CCC(=O)C1CC(=O)NC(=O)C1 1458a_100000044373_100000210202 [0,1,0,0,0,0|2,0,1]=4 27 B10R0.2 C#CCC(=O)CC(C)CCC 1458a_100000748435_100000184674 [0,0,1,0,0,0|0,0,3]=4 28 B10R0.2 C#CCC(=O)CC(C)CCC 1458a_100011220946_100011216630 [0,0,1,0,0,0|0,0,3]=4 29 B10R0.2 C/C=C/C(C)OC(C)CCC 34a_200102604097_100000766640 [0,0,1,0,0,0|2,0,1]=4 30 B10R0.2 C=CCC(=O)CC(C)CCC 1458a_100000210193_100011216630 [0,0,1,0,0,0|0,0,2]=3 31 B10R0.2 C=CCC(=O)CC(C)CCC 1458a_100000748435_100000210623 [0,0,1,0,0,0|0,0,2]=3 32 B10R0.2 C=CCC(=O)CC(C)SCC 1458a_200011311441_100000210623 [0,0,1,0,0,0|1,0,2]=4 33 B10R0.2 C=CCC(=O)NC(C)CCC 11a_100000741246_100000210193 [0,0,1,0,0,0|1,0,2]=4 34 B10R0.2 C=CCC(=O)NC(C)CCC 1626a_100000741246_100000210193 [0,0,1,0,0,0|1,0,2]=4 35 B10R0.2 C=CCC(=O)NC(C)CCC 240690a_100000741246_100000210193 [0,0,1,0,0,0|1,0,2]=4 36 B10R0.2 C=CCC(=O)NC(C)CCC 527a_100000741246_100000210193 [0,0,1,0,0,0|1,0,2]=4 37 B10R0.2 C=CCN(C)CC(C)CCC 2230a_100000225617_100011216630 [0,0,1,0,0,0|2,0,1]=4 38 B10R0.2 C=CCN(C)CC(C)CCC 269982a_100000225617_100011216630 [0,0,1,0,0,0|2,0,1]=4 39 B10R0.2 C=CCN(C)CC(C)CCC 270004a_100000225617_100000243154 [0,0,1,0,0,0|2,0,1]=4 40 B10R0.2 C=COC(=O)CN(C)CCC 2230a_100000747261_100000036128 [0,0,1,0,0,0|2,0,1]=4 41 B10R0.2 C=COC(=O)CN(C)CCC 269982a_100000747261_100000036128 [0,0,1,0,0,0|2,0,1]=4 42 B10R0.2 CC#CC(=O)CC(C)CCC 1458a_100000763181_100011216630 [0,0,1,0,0,0|0,0,2]=3 43 B10R0.2 CC=CC(=O)CC(=O)CCC 1458a_100000210699_100000747444 [0,0,1,0,0,0|1,0,1]=3 44 B10R0.2 CC=CC(=O)CC(=O)NCC 1458a_100000210699_100000183381 [0,0,1,0,0,0|2,0,1]=4 45 B10R0.2 CC=CC(=O)CC(=O)OCC 1458a_100000210699_100000188475 [0,0,1,0,0,0|2,0,1]=4 46 B10R0.2 CC=CC(=O)CC(C)CCC 1458a_100000210699_100011216630 [0,0,1,0,0,0|0,0,0]=1 47 B10R0.2 CC=CC(=O)NC(C)CCC 11a_100000741246_100000210699 [0,0,1,0,0,0|1,0,0]=2 48 B10R0.2 CC=CC(=O)NC(C)CCC 1626a_100000741246_100000210699 [0,0,1,0,0,0|1,0,0]=2 49 B10R0.2 CC=CC(=O)NC(C)CCC 240690a_100000741246_100000210699 [0,0,1,0,0,0|1,0,0]=2 50 B10R0.2 CC=CC(=O)N[C@@H](C)CC#N 11a_100016994482_100000210699 [0,0,1,0,0,0|2,0,1]=4 51 B10R0.2 CC=CC(=O)N[C@@H](C)CC#N 1626a_100016994482_100000210699 [0,0,1,0,0,0|2,0,1]=4 52 B10R0.2 CC=CC(=O)N[C@@H](C)CC#N 240690a_100016994482_100000210699 [0,0,1,0,0,0|2,0,1]=4 53 B10R0.2 CC=CC(=O)N[C@H](C)CCO 240690a_100000706166_100000210699 [0,0,1,0,0,0|2,0,0]=3 54 B10R0.2 CC=CC(=O)N[C@H](C)COC 11a_100000764878_100000210699 [0,0,1,0,0,0|2,0,0]=3 55 B10R0.2 CC=CC(=O)N[C@H](C)COC 1626a_100000764878_100000210699 [0,0,1,0,0,0|2,0,0]=3 56 B10R0.2 CC=CC(=O)N[C@H](C)COC 240690a_100000764878_100000210699 [0,0,1,0,0,0|2,0,0]=3 57 B10R0.2 CCCC(=O)CC(=O)C=CBr 1458a_100016273825_100000747444 [0,0,1,0,0,0|2,0,1]=4 58 B10R0.2 CCCC(=O)CC(=O)C=CCl 1458a_200016279998_100000747444 [0,0,1,0,0,0|2,0,1]=4 59 B10R0.2 CCCC(=O)CC(=O)C=CI 1458a_100016256311_100000747444 [0,0,1,0,0,0|2,0,1]=4 60 B10R0.2 CCCC(=O)CC(C)CCC 1458a_100000211992_100011216630 [0,0,1,0,0,0|0,0,2]=3 61 B10R0.2 CCCC(=O)CC(C)CCC 1458a_100000748435_100000210303 [0,0,1,0,0,0|0,0,2]=3 62 B10R0.2 CCCC(=O)CC(C)SCC 1458a_200011311441_100000210303 [0,0,1,0,0,0|1,0,2]=4 63 B10R0.2 CCCC(=O)CN(C)CCC 2230a_100000747261_100000747444 [0,0,1,0,0,0|1,0,2]=4 64 B10R0.2 CCCC(=O)CN(C)CCC 269982a_100000747261_100000747444 [0,0,1,0,0,0|1,0,2]=4 65 B10R0.2 CCCC(=O)NC(C)CCC 11a_100000741246_100000211992 [0,0,1,0,0,0|1,0,2]=4 66 B10R0.2 CCCC(=O)NC(C)CCC 1626a_100000741246_100000211992 [0,0,1,0,0,0|1,0,2]=4 67 B10R0.2 CCCC(=O)NC(C)CCC 240690a_100000741246_100000211992 [0,0,1,0,0,0|1,0,2]=4 68 B10R0.2 CCCC(=O)NC(C)CCC 527a_100000741246_100000211992 [0,0,1,0,0,0|1,0,2]=4 69 B10R0.2 CCCC(C)CC(=O)C=CBr 1458a_100016273825_100011216630 [0,0,1,0,0,0|1,0,0]=2 70 B10R0.2 CCCC(C)CC(=O)C=CCl 1458a_200016279998_100011216630 [0,0,1,0,0,0|1,0,0]=2 71 B10R0.2 CCCC(C)CC(=O)C=CI 1458a_100016256311_100011216630 [0,0,1,0,0,0|1,0,0]=2 72 B10R0.2 CCCC(C)CC(=O)CC#N 1458a_100000748435_100011214920 [0,0,1,0,0,0|1,0,2]=4 73 B10R0.2 CCCC(C)CC(=O)CC#N 1458a_100051588842_100011216630 [0,0,1,0,0,0|1,0,2]=4 74 B10R0.2 CCCC(C)CC(=O)CCF 1458a_100000748435_100011217306 [0,0,1,0,0,0|1,0,2]=4 75 B10R0.2 CCCC(C)CC(=O)CCO 1458a_100000748435_100000211926 [0,0,1,0,0,0|1,0,2]=4 76 B10R0.2 CCCC(C)CC(=O)CCO 1458a_100011216618_100011216630 [0,0,1,0,0,0|1,0,2]=4 77 B10R0.2 CCCC(C)CC(=O)COC 1458a_100000210968_100011216630 [0,0,1,0,0,0|1,0,1]=3 78 B10R0.2 CCCC(C)CC(=O)CSC 1458a_100000184570_100011216630 [0,0,1,0,0,0|1,0,1]=3 79 B10R0.2 CCCC(C)CC(=O)NCC 11a_100015525214_100000748435 [0,0,1,0,0,0|1,0,1]=3 80 B10R0.2 CCCC(C)CC(=O)NCC 240690a_100015525214_100000748435 [0,0,1,0,0,0|1,0,1]=3 81 B10R0.2 CCCC(C)CC(=O)NCC 527a_100015525214_100000748435 [0,0,1,0,0,0|1,0,1]=3 82 B10R0.2 CCCC(C)CC(=O)NNC 22a_100016993582_100000748435 [0,0,1,0,0,0|2,0,0]=3 83 B10R0.2 CCCC(C)NC(=O)C=CBr 1626a_100000741246_100016273825 [0,0,1,0,0,0|2,0,0]=3 84 B10R0.2 CCCC(C)NC(=O)C=CBr 240690a_100000741246_100016273825 [0,0,1,0,0,0|2,0,0]=3 85 B10R0.2 CCCC(C)NC(=O)C=CCl 11a_100000741246_200016279998 [0,0,1,0,0,0|2,0,0]=3 86 B10R0.2 CCCC(C)NC(=O)C=CCl 1626a_100000741246_200016279998 [0,0,1,0,0,0|2,0,0]=3 87 B10R0.2 CCCC(C)NC(=O)C=CCl 240690a_100000741246_200016279998 [0,0,1,0,0,0|2,0,0]=3 88 B10R0.2 CCCC(C)NC(=O)C=CI 1626a_100000741246_100016256311 [0,0,1,0,0,0|2,0,0]=3 89 B10R0.2 CCCC(C)NC(=O)COC 11a_100000741246_100000210968 [0,0,1,0,0,0|2,0,1]=4 90 B10R0.2 CCCC(C)NC(=O)COC 1626a_100000741246_100000210968 [0,0,1,0,0,0|2,0,1]=4 91 B10R0.2 CCCC(C)NC(=O)COC 240690a_100000741246_100000210968 [0,0,1,0,0,0|2,0,1]=4 92 B10R0.2 CCCC(C)NC(=O)COC 527a_100000741246_100000210968 [0,0,1,0,0,0|2,0,1]=4 93 B10R0.2 CCCC(C)NC(=O)CSC 11a_100000741246_100000184570 [0,0,1,0,0,0|2,0,1]=4 94 B10R0.2 CCCC(C)NC(=O)CSC 1626a_100000741246_100000184570 [0,0,1,0,0,0|2,0,1]=4 95 B10R0.2 CCCC(C)NC(=O)CSC 240690a_100000741246_100000184570 [0,0,1,0,0,0|2,0,1]=4 96 B10R0.2 CCCC(C)NC(=O)CSC 527a_100000741246_100000184570 [0,0,1,0,0,0|2,0,1]=4 97 B10R0.2 CCCC(C)NC(=O)NCC 2708a_100000741246_100015525214 [0,0,1,0,0,0|2,0,1]=4 98 B10R0.2 CCCC(C)NC(=O)NCC 2708a_100015525214_100000741246 [0,0,1,0,0,0|2,0,1]=4 99 B10R0.2 CCCC(C)NC(=O)NCC 273464a_100000741246_100015525214 [0,0,1,0,0,0|2,0,1]=4 100 B10R0.2 CCCC(C)NC(=O)NCC 512a_100000741246_100015525214 [0,0,1,0,0,0|2,0,1]=4 101 B10R0.2 CCCC(C)NC(=O)NCC 512a_100015525214_100000741246 [0,0,1,0,0,0|2,0,1]=4 102 B10R0.2 CCCC(C)NC(=O)NNC 273464a_100000741246_100016993582 [0,0,1,0,0,0|3,0,0]=4 103 B10R0.2 CCCC(C)NC(=O)NNC 512a_100000741246_100016993582 [0,0,1,0,0,0|3,0,0]=4 104 B10R0.2 CCCC(C)NC(=O)NNC 512a_100016993582_100000741246 [0,0,1,0,0,0|3,0,0]=4 105 B10R0.2 CCCN(C)CC(=O)NCC 2230a_100000741943_100000210303 [0,0,1,0,0,0|2,0,1]=4 106 B10R0.2 CCCN(C)CC(=O)NCC 2230a_100000747261_100000183381 [0,0,1,0,0,0|2,0,1]=4 107 B10R0.2 CCCN(C)CC(=O)NCC 269982a_100000741943_100000210303 [0,0,1,0,0,0|2,0,1]=4 108 B10R0.2 CCCN(C)CC(=O)NCC 269982a_100000747261_100000183381 [0,0,1,0,0,0|2,0,1]=4 109 B10R0.2 CCCN(C)CC(=O)OCC 2230a_100000220588_100000210303 [0,0,1,0,0,0|2,0,1]=4 110 B10R0.2 CCCN(C)CC(=O)OCC 2230a_100000221057_200000210301 [0,0,1,0,0,0|2,0,1]=4 111 B10R0.2 CCCN(C)CC(=O)OCC 2230a_100000747261_100000188475 [0,0,1,0,0,0|2,0,1]=4 112 B10R0.2 CCCN(C)CC(=O)OCC 269982a_100000221057_200000210301 [0,0,1,0,0,0|2,0,1]=4 113 B10R0.2 CCCN(C)CC(=O)OCC 269982a_100000747261_100000188475 [0,0,1,0,0,0|2,0,1]=4 114 B10R0.2 CCCN([13CH3])CC(=O)OCC 2230a_100000221057_200025704644 [0,0,1,0,0,0|2,0,1]=4 115 B10R0.2 CCCN([13CH3])CC(=O)OCC 269982a_100000221057_200025704644 [0,0,1,0,0,0|2,0,1]=4 116 B10R0.2 CCNC(=O)CC(C)SCC 11a_100015525214_200011311441 [0,0,1,0,0,0|2,0,1]=4 117 B10R0.2 CCNC(=O)CC(C)SCC 240690a_100015525214_200011311441 [0,0,1,0,0,0|2,0,1]=4 118 B10R0.2 CCNC(=O)CC(C)SCC 527a_100015525214_200011311441 [0,0,1,0,0,0|2,0,1]=4 119 B10R0.2 CCNC(C)CC(=O)OCC 2230a_100015525214_100009817359 [0,0,1,0,0,0|2,0,1]=4 120 B10R0.2 CCOC(=O)CC(C)SCC 62a_100000210202_100009817359 [0,0,1,0,0,0|2,0,1]=4 121 B10R0.2 CCOC(=O)CC(C)SCC 62a_100009817359_100000210202 [0,0,1,0,0,0|2,0,1]=4 122 B10R0.2 CCOC(=O)C[C@@H](C)OCC 7a_100009816390_100000210202 [0,0,1,0,0,0|2,0,1]=4 123 B10R0.2 CCSC(C)CC(=O)NNC 22a_100016993582_200011311441 [0,0,1,0,0,0|3,0,0]=4 124 B10R0.2 COC[C@@H](C)NC(=O)C=CBr 1626a_100000764878_100016273825 [0,0,1,0,0,0|3,0,0]=4 125 B10R0.2 COC[C@@H](C)NC(=O)C=CBr 240690a_100000764878_100016273825 [0,0,1,0,0,0|3,0,0]=4 126 B10R0.2 COC[C@@H](C)NC(=O)C=CCl 11a_100000764878_200016279998 [0,0,1,0,0,0|3,0,0]=4 127 B10R0.2 COC[C@@H](C)NC(=O)C=CCl 1626a_100000764878_200016279998 [0,0,1,0,0,0|3,0,0]=4 128 B10R0.2 COC[C@@H](C)NC(=O)C=CCl 240690a_100000764878_200016279998 [0,0,1,0,0,0|3,0,0]=4 129 B10R0.2 COC[C@@H](C)NC(=O)C=CI 1626a_100000764878_100016256311 [0,0,1,0,0,0|3,0,0]=4 130 B10R0.2 C[C@H](CCO)NC(=O)C=CBr 240690a_100000706166_100016273825 [0,0,1,0,0,0|3,0,0]=4 131 B10R0.2 C[C@H](CCO)NC(=O)C=CCl 240690a_100000706166_200016279998 [0,0,1,0,0,0|3,0,0]=4 132 B10R0.6 C#CCCCC(=O)C=C(C)C 1458a_100000211388_100000731252 [0,0,1,0,0,0|0,0,2]=3 133 B10R0.6 C#CCCCC(=O)C=C(C)Cl 1458a_200042562850_100000731252 [0,0,1,0,0,0|1,0,2]=4 134 B10R0.6 C#CCCCC(=O)C=C(C)I 1458a_100025716642_100000731252 [0,0,1,0,0,0|1,0,2]=4 135 B10R0.6 C#CCCNC(=O)C=C(C)C 11a_100000755551_100000211388 [0,0,1,0,0,0|1,0,2]=4 136 B10R0.6 C#CCCNC(=O)C=C(C)C 1626a_100000755551_100000211388 [0,0,1,0,0,0|1,0,2]=4 137 B10R0.6 C#CCCNC(=O)C=C(C)C 240690a_100000755551_100000211388 [0,0,1,0,0,0|1,0,2]=4 138 B10R0.6 C=C(C)CC(=O)CCCCC 1458a_100000212188_100000748629 [0,0,1,0,0,0|0,0,2]=3 139 B10R0.6 C=C(C)CC(=O)CCCCO 1458a_100000695505_100000748629 [0,0,1,0,0,0|1,0,2]=4 140 B10R0.6 C=C(C)CC(=O)CCCOC 1458a_100000741012_100000748629 [0,0,1,0,0,0|1,0,2]=4 141 B10R0.6 C=C(C)CC(=O)CCCSC 1458a_100000173376_100000748629 [0,0,1,0,0,0|1,0,2]=4 142 B10R0.6 C=C(C)CC(=O)CCOCC 1458a_100000749530_100000748629 [0,0,1,0,0,0|1,0,2]=4 143 B10R0.6 C=C(C)CC(=O)CCSCC 1458a_100000230768_100000748629 [0,0,1,0,0,0|1,0,2]=4 144 B10R0.6 C=C(C)CC(=O)COCCC 1458a_100000745993_100000748629 [0,0,1,0,0,0|1,0,2]=4 145 B10R0.6 C=C(C)CC(=O)CSCCC 1458a_100000217233_100000748629 [0,0,1,0,0,0|1,0,2]=4 146 B10R0.6 C=C(C)CN(C)CCCCC 2230a_100000223495_100000748629 [0,0,1,0,0,0|2,0,1]=4 147 B10R0.6 C=C(C)CN(C)CCCCC 2230a_100000225649_100000210326 [0,0,1,0,0,0|2,0,1]=4 148 B10R0.6 C=C(C)CN(C)CCCCC 269982a_100000223495_100000748629 [0,0,1,0,0,0|2,0,1]=4 149 B10R0.6 C=C(C)CN(C)CCCCC 269982a_100000225649_100000210215 [0,0,1,0,0,0|2,0,1]=4 150 B10R0.6 C=C(F)CC(=O)CCCCC 1458a_100000212188_100009893438 [0,0,1,0,0,0|1,0,2]=4 151 B10R0.6 C=CCCCC(=O)C=C(C)C 1458a_100000211388_100000757094 [0,0,1,0,0,0|0,0,2]=3 152 B10R0.6 C=CCCCC(=O)C=C(C)Cl 1458a_200042562850_100000757094 [0,0,1,0,0,0|1,0,2]=4 153 B10R0.6 C=CCCCC(=O)C=C(C)I 1458a_100025716642_100000757094 [0,0,1,0,0,0|1,0,2]=4 154 B10R0.6 C=CCCNC(=O)C=C(C)C 11a_100015191253_100000211388 [0,0,1,0,0,0|1,0,2]=4 155 B10R0.6 C=CCCNC(=O)C=C(C)C 1626a_100015191253_100000211388 [0,0,1,0,0,0|1,0,2]=4 156 B10R0.6 C=CCCNC(=O)C=C(C)C 240690a_100015191253_100000211388 [0,0,1,0,0,0|1,0,2]=4 157 B10R0.6 C=COCCC(=O)C=C(C)C 1458a_100000211388_100000039644 [0,0,1,0,0,0|1,0,2]=4 158 B10R0.6 CC#CCNC(=O)C=C(C)C 11a_100000685387_100000211388 [0,0,1,0,0,0|1,0,2]=4 159 B10R0.6 CC#CCNC(=O)C=C(C)C 1626a_100000685387_100000211388 [0,0,1,0,0,0|1,0,2]=4 160 B10R0.6 CC(=CC(=O)CC#CCO)C 1458a_100000211388_200000047223 [0,0,1,0,0,0|1,0,2]=4 161 B10R0.6 CC(=CC(=O)CCCC#N)C 1458a_100000211388_100000211468 [0,0,1,0,0,0|1,0,1]=3 162 B10R0.6 CC(=CC(=O)CCCC#N)Cl 1458a_200042562850_100000211468 [0,0,1,0,0,0|2,0,1]=4 163 B10R0.6 CC(=CC(=O)CCCC#N)I 1458a_100025716642_100000211468 [0,0,1,0,0,0|2,0,1]=4 164 B10R0.6 CC(=CC(=O)CCCCF)C 1458a_100000211388_100000729493 [0,0,1,0,0,0|1,0,0]=2 165 B10R0.6 CC(=CC(=O)CCCCF)Cl 1458a_200042562850_100000729493 [0,0,1,0,0,0|2,0,0]=3 166 B10R0.6 CC(=CC(=O)CCCCF)I 1458a_100025716642_100000729493 [0,0,1,0,0,0|2,0,0]=3 167 B10R0.6 CC(=CC(=O)CCCCO)C 1458a_100000211388_100000210776 [0,0,1,0,0,0|1,0,0]=2 168 B10R0.6 CC(=CC(=O)CCCCO)Cl 1458a_200042562850_100000210776 [0,0,1,0,0,0|2,0,0]=3 169 B10R0.6 CC(=CC(=O)CCCCO)I 1458a_100025716642_100000210776 [0,0,1,0,0,0|2,0,0]=3 170 B10R0.6 CC(=CC(=O)NCCC#N)C 11a_100000720768_100000211388 [0,0,1,0,0,0|2,0,1]=4 171 B10R0.6 CC(=CC(=O)NCCC#N)C 1626a_100000720768_100000211388 [0,0,1,0,0,0|2,0,1]=4 172 B10R0.6 CC(=CC(=O)NCCC#N)C 240690a_100000720768_100000211388 [0,0,1,0,0,0|2,0,1]=4 173 B10R0.6 CC(=CC(=O)NCCCF)C 11a_100015189416_100000211388 [0,0,1,0,0,0|2,0,0]=3 174 B10R0.6 CC(=CC(=O)NCCCF)C 1626a_100015189416_100000211388 [0,0,1,0,0,0|2,0,0]=3 175 B10R0.6 CC(=CC(=O)NCCCF)C 240690a_100015189416_100000211388 [0,0,1,0,0,0|2,0,0]=3 176 B10R0.6 CC(=CC(=O)NCCCF)Cl 11a_100015189416_200042562850 [0,0,1,0,0,0|3,0,0]=4 177 B10R0.6 CC(=CC(=O)NCCCF)Cl 1626a_100015189416_200042562850 [0,0,1,0,0,0|3,0,0]=4 178 B10R0.6 CC(=CC(=O)NCCCF)Cl 240690a_100015189416_200042562850 [0,0,1,0,0,0|3,0,0]=4 179 B10R0.6 CC(=CC(=O)NCCCF)I 11a_100015189416_100025716642 [0,0,1,0,0,0|3,0,0]=4 180 B10R0.6 CC(=CC(=O)NCCCF)I 1626a_100015189416_100025716642 [0,0,1,0,0,0|3,0,0]=4 181 B10R0.6 CC(=CC(=O)NCCCO)C 240690a_100000182051_100000211388 [0,0,1,0,0,0|2,0,0]=3 182 B10R0.6 CC(=CC(=O)NCCCO)Cl 240690a_100000182051_200042562850 [0,0,1,0,0,0|3,0,0]=4 183 B10R0.6 CC(=CC(=O)NNCCO)C 22a_100000210001_100000211388 [0,0,1,0,0,0|3,0,0]=4 184 B10R0.6 CC(C)CC(=O)CCCCF 1458a_100000210554_100000729493 [0,0,1,0,0,0|1,0,2]=4 185 B10R0.6 CC(C)CC(=O)CCCCO 1458a_100000210554_100000210776 [0,0,1,0,0,0|1,0,2]=4 186 B10R0.6 CC(C)CC(=O)CCCCO 1458a_100000695505_100000210624 [0,0,1,0,0,0|1,0,2]=4 187 B10R0.6 CC(C)NC(=O)CCCCO 1626a_100138425928_100000695505 [0,0,1,0,0,0|2,0,1]=4 188 B10R0.6 CC/C=C\CC(=O)C=C(C)C 1458a_100000211388_100103147603 [0,0,1,0,0,0|0,0,2]=3 189 B10R0.6 CC/C=C\CC(=O)C=C(C)Cl 1458a_200042562850_100103147603 [0,0,1,0,0,0|1,0,2]=4 190 B10R0.6 CC/C=C\CC(=O)C=C(C)I 1458a_100025716642_100103147603 [0,0,1,0,0,0|1,0,2]=4 191 B10R0.6 CCC#CCC(=O)C=C(C)C 1458a_100000211388_100009813939 [0,0,1,0,0,0|0,0,2]=3 192 B10R0.6 CCC#CCC(=O)C=C(C)Cl 1458a_200042562850_100009813939 [0,0,1,0,0,0|1,0,2]=4 193 B10R0.6 CCC#CCC(=O)C=C(C)I 1458a_100025716642_100009813939 [0,0,1,0,0,0|1,0,2]=4 194 B10R0.6 CCCCCC(=O)C=C(C)C 1458a_100000211388_100000210326 [0,0,1,0,0,0|0,0,0]=1 195 B10R0.6 CCCCCC(=O)C=C(C)Cl 1458a_200042562850_100000210326 [0,0,1,0,0,0|1,0,0]=2 196 B10R0.6 CCCCCC(=O)C=C(C)I 1458a_100025716642_100000210326 [0,0,1,0,0,0|1,0,0]=2 197 B10R0.6 CCCCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000210326 [0,0,1,0,0,0|2,0,0]=3 198 B10R0.6 CCCCCC(=O)CC(=O)C 1458a_100000070787_200012276598 [0,0,1,0,0,0|1,0,1]=3 199 B10R0.6 CCCCCC(=O)CC(=O)N 1458a_100000212188_100000187820 [0,0,1,0,0,0|2,0,1]=4 200 B10R0.6 CCCCCC(=O)CC(=O)N 1458a_100134613110_100000210326 [0,0,1,0,0,0|2,0,1]=4 201 B10R0.6 CCCCCC(=O)CC(=O)[O-] 1458a_100000212188_100020667443 [0,0,1,0,0,0|2,0,1]=4 202 B10R0.6 CCCCCC(=O)CC(C)C 1458a_100000210554_100000210326 [0,0,1,0,0,0|0,0,2]=3 203 B10R0.6 CCCCCC(=O)CC(C)C 1458a_100000212188_100000210624 [0,0,1,0,0,0|0,0,2]=3 204 B10R0.6 CCCCCC(=O)CC(C)O 1458a_100000212188_100011218427 [0,0,1,0,0,0|1,0,2]=4 205 B10R0.6 CCCCCC(=O)CN(C)C 1458a_100000750896_100000210326 [0,0,1,0,0,0|1,0,1]=3 206 B10R0.6 CCCCCC(=O)CN(C)C 2230a_100102631434_200012276598 [0,0,1,0,0,0|1,0,1]=3 207 B10R0.6 CCCCCC(=O)CN(C)C 269982a_100102631434_200012276598 [0,0,1,0,0,0|1,0,1]=3 208 B10R0.6 CCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210326 [0,0,1,0,0,0|1,0,2]=4 209 B10R0.6 CCCCCC(=O)C[S+](C)C 1458a_200159257847_100000210326 [0,0,1,0,0,0|1,0,1]=3 210 B10R0.6 CCCCCC(=O)NC(C)C 11a_100138425928_100000212188 [0,0,1,0,0,0|1,0,1]=3 211 B10R0.6 CCCCCC(=O)NC(C)C 1626a_100138425928_100000212188 [0,0,1,0,0,0|1,0,1]=3 212 B10R0.6 CCCCCC(=O)NC(C)C 240690a_100138425928_100000212188 [0,0,1,0,0,0|1,0,1]=3 213 B10R0.6 CCCCCC(=O)NC(C)C 527a_100138425928_100000212188 [0,0,1,0,0,0|1,0,1]=3 214 B10R0.6 CCCCCC(C)NC(=O)C 11a_100000211957_100015343762 [0,0,1,0,0,0|1,0,1]=3 215 B10R0.6 CCCCCC(C)NC(=O)C 1626a_100000211957_100015343762 [0,0,1,0,0,0|1,0,1]=3 216 B10R0.6 CCCCCC(C)NC(=O)C 240690a_100000211957_100015343762 [0,0,1,0,0,0|1,0,1]=3 217 B10R0.6 CCCCCC(C)NC(=O)C 527a_100000211957_100103153847 [0,0,1,0,0,0|1,0,1]=3 218 B10R0.6 CCCCCN(C)CC(=O)N 2230a_100000223495_100000747473 [0,0,1,0,0,0|2,0,1]=4 219 B10R0.6 CCCCCN(C)CC(=O)N 2230a_100000739694_100000210326 [0,0,1,0,0,0|2,0,1]=4 220 B10R0.6 CCCCCN(C)CC(=O)N 269982a_100000223495_100000187820 [0,0,1,0,0,0|2,0,1]=4 221 B10R0.6 CCCCCN(C)CC(=O)O 269956a_100000746989_100000210326 [0,0,1,0,0,0|2,0,1]=4 222 B10R0.6 CCCCCN(C)CC(=O)[O-] 269982a_100000223495_100020667443 [0,0,1,0,0,0|2,0,1]=4 223 B10R0.6 CCCCNC(=O)C=C(C)C 11a_100000102301_100000211388 [0,0,1,0,0,0|1,0,0]=2 224 B10R0.6 CCCCNC(=O)C=C(C)C 1626a_100000102301_100000211388 [0,0,1,0,0,0|1,0,0]=2 225 B10R0.6 CCCCNC(=O)C=C(C)C 240690a_100000102301_100000211388 [0,0,1,0,0,0|1,0,0]=2 226 B10R0.6 CCCCNC(=O)C=C(C)Cl 11a_100000102301_200042562850 [0,0,1,0,0,0|2,0,0]=3 227 B10R0.6 CCCCNC(=O)C=C(C)Cl 1626a_100000102301_200042562850 [0,0,1,0,0,0|2,0,0]=3 228 B10R0.6 CCCCNC(=O)C=C(C)Cl 240690a_100000102301_200042562850 [0,0,1,0,0,0|2,0,0]=3 229 B10R0.6 CCCCNC(=O)C=C(C)I 11a_100000102301_100025716642 [0,0,1,0,0,0|2,0,0]=3 230 B10R0.6 CCCCNC(=O)C=C(C)I 1626a_100000102301_100025716642 [0,0,1,0,0,0|2,0,0]=3 231 B10R0.6 CCCCNC(=O)C=C(Cl)Cl 1626a_100000102301_100000137448 [0,0,1,0,0,0|3,0,0]=4 232 B10R0.6 CCCCNC(=O)C=C(Cl)Cl 240690a_100000102301_100000137448 [0,0,1,0,0,0|3,0,0]=4 233 B10R0.6 CCCCNC(=O)CC(=O)C 1458a_100000070787_100000182744 [0,0,1,0,0,0|2,0,1]=4 234 B10R0.6 CCCCNC(=O)CC(C)C 11a_100000102301_100000210554 [0,0,1,0,0,0|1,0,2]=4 235 B10R0.6 CCCCNC(=O)CC(C)C 1626a_100000102301_100000210554 [0,0,1,0,0,0|1,0,2]=4 236 B10R0.6 CCCCNC(=O)CC(C)C 240690a_100000102301_100000210554 [0,0,1,0,0,0|1,0,2]=4 237 B10R0.6 CCCCNC(=O)CC(C)C 527a_100000102301_100000210554 [0,0,1,0,0,0|1,0,2]=4 238 B10R0.6 CCCCNC(=O)CN(C)C 11a_100000102301_100000750896 [0,0,1,0,0,0|2,0,1]=4 239 B10R0.6 CCCCNC(=O)CN(C)C 2230a_100102631434_100000182744 [0,0,1,0,0,0|2,0,1]=4 240 B10R0.6 CCCCNC(=O)CN(C)C 2230a_200000213093_200000210301 [0,0,1,0,0,0|2,0,1]=4 241 B10R0.6 CCCCNC(=O)CN(C)C 240690a_100000102301_100000750896 [0,0,1,0,0,0|2,0,1]=4 242 B10R0.6 CCCCNC(=O)CN(C)C 269982a_100102631434_100000182744 [0,0,1,0,0,0|2,0,1]=4 243 B10R0.6 CCCCNC(=O)CN(C)C 269982a_200000213093_200000210301 [0,0,1,0,0,0|2,0,1]=4 244 B10R0.6 CCCCNC(=O)CN(C)C 527a_100000102301_100000750896 [0,0,1,0,0,0|2,0,1]=4 245 B10R0.6 CCCCNC(=O)CN(C)[13CH3] 2230a_200000213093_200025704644 [0,0,1,0,0,0|2,0,1]=4 246 B10R0.6 CCCCNC(=O)CN(C)[13CH3] 269982a_200000213093_200025704644 [0,0,1,0,0,0|2,0,1]=4 247 B10R0.6 CCCCNC(=O)C[S+](C)C 11a_100000102301_200159257847 [0,0,1,0,0,0|2,0,1]=4 248 B10R0.6 CCCCNC(=O)C[S+](C)C 1626a_100000102301_200159257847 [0,0,1,0,0,0|2,0,1]=4 249 B10R0.6 CCCCNC(=O)C[S+](C)C 240690a_100000102301_200159257847 [0,0,1,0,0,0|2,0,1]=4 250 B10R0.6 CCCCNC(=O)C[S+](C)C 527a_100000102301_200159257847 [0,0,1,0,0,0|2,0,1]=4 251 B10R0.6 CCCCNC(=O)NC(C)C 2708a_100000102301_100138425928 [0,0,1,0,0,0|2,0,1]=4 252 B10R0.6 CCCCNC(=O)NC(C)C 2708a_100138425928_100000102301 [0,0,1,0,0,0|2,0,1]=4 253 B10R0.6 CCCCNC(=O)NC(C)C 273464a_100138425928_100000102301 [0,0,1,0,0,0|2,0,1]=4 254 B10R0.6 CCCCNC(=O)NC(C)C 512a_100000102301_100138425928 [0,0,1,0,0,0|2,0,1]=4 255 B10R0.6 CCCCNC(=O)NC(C)C 512a_100138425928_100000102301 [0,0,1,0,0,0|2,0,1]=4 256 B10R0.6 CCCCOC(=O)CC(=O)C 1458a_100000070787_100000211628 [0,0,1,0,0,0|2,0,1]=4 257 B10R0.6 CCCCOC(=O)CN(C)C 2230a_100102631434_100000211628 [0,0,1,0,0,0|2,0,1]=4 258 B10R0.6 CCCCOC(=O)CN(C)C 269982a_100102631434_100000211628 [0,0,1,0,0,0|2,0,1]=4 259 B10R0.6 CCCCOC(C)C=C(C)C 34a_100000717055_100000210210 [0,0,1,0,0,0|2,0,1]=4 260 B10R0.6 CCCCSC(C)OC(=O)C 62a_100000210211_100009818208 [0,0,1,0,0,0|2,0,1]=4 261 B10R0.6 CCCCSC(C)OC(=O)C 62a_100009818208_100000210210 [0,0,1,0,0,0|2,0,1]=4 262 B10R0.6 CCCNCC(=O)NC(C)C 2230a_100000168517_100000210303 [0,0,1,0,0,0|2,0,1]=4 263 B10R0.6 CCCNNC(=O)C=C(C)C 22a_100000740057_100000211388 [0,0,1,0,0,0|2,0,0]=3 264 B10R0.6 CCCNNC(=O)C=C(C)Cl 22a_100000740057_200042562850 [0,0,1,0,0,0|3,0,0]=4 265 B10R0.6 CCCOCC(=O)CC(C)C 1458a_100000745993_100000210624 [0,0,1,0,0,0|1,0,2]=4 266 B10R0.6 CCCOCC(=O)NC(C)C 11a_100138425928_100000745993 [0,0,1,0,0,0|2,0,1]=4 267 B10R0.6 CCCOCC(=O)NC(C)C 1626a_100138425928_100000745993 [0,0,1,0,0,0|2,0,1]=4 268 B10R0.6 CCCOCC(=O)NC(C)C 240690a_100138425928_100000745993 [0,0,1,0,0,0|2,0,1]=4 269 B10R0.6 CCCOCC(=O)NC(C)C 34a_100000210258_100000183996 [0,0,1,0,0,0|2,0,1]=4 270 B10R0.6 CCCOCC(=O)NC(C)C 527a_100138425928_100000745993 [0,0,1,0,0,0|2,0,1]=4 271 B10R0.6 CCCOCC(=O)OC(C)C 34a_100000210258_100011215430 [0,0,1,0,0,0|2,0,1]=4 272 B10R0.6 CCCSCC(=O)CC(C)C 1458a_100000217233_100000210624 [0,0,1,0,0,0|1,0,2]=4 273 B10R0.6 CCCSCC(=O)NC(=O)C 62a_100000210303_100000183797 [0,0,1,0,0,0|3,0,0]=4 274 B10R0.6 CCCSCC(=O)NC(C)C 11a_100138425928_100000217233 [0,0,1,0,0,0|2,0,1]=4 275 B10R0.6 CCCSCC(=O)NC(C)C 1626a_100138425928_100000217233 [0,0,1,0,0,0|2,0,1]=4 276 B10R0.6 CCCSCC(=O)NC(C)C 240690a_100138425928_100000217233 [0,0,1,0,0,0|2,0,1]=4 277 B10R0.6 CCCSCC(=O)NC(C)C 527a_100138425928_100000217233 [0,0,1,0,0,0|2,0,1]=4 278 B10R0.6 CCCSCC(=O)NC(C)C 62a_100000183996_100000210303 [0,0,1,0,0,0|2,0,1]=4 279 B10R0.6 CCCSCC(=O)NC(C)C 62a_100000210303_100000183996 [0,0,1,0,0,0|2,0,1]=4 280 B10R0.6 CCCSCC(=O)OC(C)C 62a_100000210303_100011215430 [0,0,1,0,0,0|2,0,1]=4 281 B10R0.6 CCCSCC(=O)OC(C)C 62a_100011215430_100000210303 [0,0,1,0,0,0|2,0,1]=4 282 B10R0.6 CCNCCC(=O)NC(C)C 2230a_100015525214_100000737564 [0,0,1,0,0,0|2,0,1]=4 283 B10R0.6 CCNCCC(=O)OC(C)C 2230a_100015525214_100000760027 [0,0,1,0,0,0|2,0,1]=4 284 B10R0.6 CCOCCC(=O)C=C(C)C 1458a_100000211388_100011215890 [0,0,1,0,0,0|1,0,0]=2 285 B10R0.6 CCOCCC(=O)C=C(C)Cl 1458a_200042562850_100011215890 [0,0,1,0,0,0|2,0,0]=3 286 B10R0.6 CCOCCC(=O)C=C(C)I 1458a_100025716642_100011215890 [0,0,1,0,0,0|2,0,0]=3 287 B10R0.6 CCOCCC(=O)C=C(Cl)Cl 1458a_100000137448_100011215890 [0,0,1,0,0,0|3,0,0]=4 288 B10R0.6 CCOCCC(=O)CC(C)C 1458a_100000210554_100011215890 [0,0,1,0,0,0|1,0,2]=4 289 B10R0.6 CCOCCC(=O)CC(C)C 1458a_100000749530_100000210624 [0,0,1,0,0,0|1,0,2]=4 290 B10R0.6 CCOCCC(=O)CN(C)C 1458a_100000750896_100011215890 [0,0,1,0,0,0|2,0,1]=4 291 B10R0.6 CCOCCC(=O)C[S+](C)C 1458a_200159257847_100011215890 [0,0,1,0,0,0|2,0,1]=4 292 B10R0.6 CCOCCC(=O)NC(C)C 11a_100138425928_100000749530 [0,0,1,0,0,0|2,0,1]=4 293 B10R0.6 CCOCCC(=O)NC(C)C 1626a_100138425928_100000749530 [0,0,1,0,0,0|2,0,1]=4 294 B10R0.6 CCOCCC(=O)NC(C)C 240690a_100138425928_100000749530 [0,0,1,0,0,0|2,0,1]=4 295 B10R0.6 CCOCCC(=O)NC(C)C 527a_100138425928_100000749530 [0,0,1,0,0,0|2,0,1]=4 296 B10R0.6 CCSCCC(=O)C=C(C)C 1458a_100000211388_100000757381 [0,0,1,0,0,0|1,0,0]=2 297 B10R0.6 CCSCCC(=O)C=C(C)Cl 1458a_200042562850_100000757381 [0,0,1,0,0,0|2,0,0]=3 298 B10R0.6 CCSCCC(=O)C=C(C)I 1458a_100025716642_100000757381 [0,0,1,0,0,0|2,0,0]=3 299 B10R0.6 CCSCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000757381 [0,0,1,0,0,0|3,0,0]=4 300 B10R0.6 CCSCCC(=O)CC(C)C 1458a_100000210554_100000757381 [0,0,1,0,0,0|1,0,2]=4 301 B10R0.6 CCSCCC(=O)CC(C)C 1458a_100000230768_100000210624 [0,0,1,0,0,0|1,0,2]=4 302 B10R0.6 CCSCCC(=O)CN(C)C 1458a_100000750896_100000757381 [0,0,1,0,0,0|2,0,1]=4 303 B10R0.6 CCSCCC(=O)C[S+](C)C 1458a_200159257847_100000757381 [0,0,1,0,0,0|2,0,1]=4 304 B10R0.6 CCSCCC(=O)NC(C)C 11a_100138425928_100000230768 [0,0,1,0,0,0|2,0,1]=4 305 B10R0.6 CCSCCC(=O)NC(C)C 1626a_100138425928_100000230768 [0,0,1,0,0,0|2,0,1]=4 306 B10R0.6 CCSCCC(=O)NC(C)C 240690a_100138425928_100000230768 [0,0,1,0,0,0|2,0,1]=4 307 B10R0.6 CCSCCC(=O)NC(C)C 527a_100138425928_100000230768 [0,0,1,0,0,0|2,0,1]=4 308 B10R0.6 CCSCCC(=O)NC(C)C 62a_100000210202_100000737564 [0,0,1,0,0,0|2,0,1]=4 309 B10R0.6 CCSCCC(=O)NC(C)C 62a_100000737564_100000210202 [0,0,1,0,0,0|2,0,1]=4 310 B10R0.6 CCSCCC(=O)OC(C)C 62a_100000210202_100000760027 [0,0,1,0,0,0|2,0,1]=4 311 B10R0.6 CCSCCC(=O)OC(C)C 62a_100000760027_100000210202 [0,0,1,0,0,0|2,0,1]=4 312 B10R0.6 CN(C)CC(=O)CCCCF 1458a_100000750896_100000729493 [0,0,1,0,0,0|2,0,1]=4 313 B10R0.6 CN(C)CC(=O)CCCCO 1458a_100000750896_100000210776 [0,0,1,0,0,0|2,0,1]=4 314 B10R0.6 COCCCC(=O)C=C(C)C 1458a_100000211388_100000740836 [0,0,1,0,0,0|1,0,0]=2 315 B10R0.6 COCCCC(=O)C=C(C)Cl 1458a_200042562850_100000740836 [0,0,1,0,0,0|2,0,0]=3 316 B10R0.6 COCCCC(=O)C=C(C)I 1458a_100025716642_100000740836 [0,0,1,0,0,0|2,0,0]=3 317 B10R0.6 COCCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000740836 [0,0,1,0,0,0|3,0,0]=4 318 B10R0.6 COCCCC(=O)CC(C)C 1458a_100000210554_100000740836 [0,0,1,0,0,0|1,0,2]=4 319 B10R0.6 COCCCC(=O)CC(C)C 1458a_100000741012_100000210624 [0,0,1,0,0,0|1,0,2]=4 320 B10R0.6 COCCCC(=O)CN(C)C 1458a_100000750896_100000740836 [0,0,1,0,0,0|2,0,1]=4 321 B10R0.6 COCCCC(=O)C[S+](C)C 1458a_200159257847_100000740836 [0,0,1,0,0,0|2,0,1]=4 322 B10R0.6 COCCCC(=O)NC(C)C 11a_100138425928_100000741012 [0,0,1,0,0,0|2,0,1]=4 323 B10R0.6 COCCCC(=O)NC(C)C 1626a_100138425928_100000741012 [0,0,1,0,0,0|2,0,1]=4 324 B10R0.6 COCCCC(=O)NC(C)C 240690a_100138425928_100000741012 [0,0,1,0,0,0|2,0,1]=4 325 B10R0.6 COCCCC(=O)NC(C)C 527a_100138425928_100000741012 [0,0,1,0,0,0|2,0,1]=4 326 B10R0.6 COCCNC(=O)C=C(C)C 1626a_100000209980_100000211388 [0,0,1,0,0,0|2,0,0]=3 327 B10R0.6 COCCNC(=O)C=C(C)C 240690a_100000209980_100000211388 [0,0,1,0,0,0|2,0,0]=3 328 B10R0.6 COCCNC(=O)C=C(C)Cl 1626a_100000209980_200042562850 [0,0,1,0,0,0|3,0,0]=4 329 B10R0.6 COCCNC(=O)C=C(C)Cl 240690a_100000209980_200042562850 [0,0,1,0,0,0|3,0,0]=4 330 B10R0.6 COCCNC(=O)C=C(C)I 1626a_100000209980_100025716642 [0,0,1,0,0,0|3,0,0]=4 331 B10R0.6 CSCCCC(=O)CC(C)C 1458a_100000173376_100000210624 [0,0,1,0,0,0|1,0,2]=4 332 B10R0.6 CSCCCC(=O)NC(C)C 11a_100138425928_100000173376 [0,0,1,0,0,0|2,0,1]=4 333 B10R0.6 CSCCCC(=O)NC(C)C 1626a_100138425928_100000173376 [0,0,1,0,0,0|2,0,1]=4 334 B10R0.6 CSCCCC(=O)NC(C)C 240690a_100138425928_100000173376 [0,0,1,0,0,0|2,0,1]=4 335 B10R0.6 CSCCCC(=O)NC(C)C 527a_100138425928_100000173376 [0,0,1,0,0,0|2,0,1]=4 336 B10R0.6 CSCCNC(=O)C=C(C)C 11a_100020590264_100000211388 [0,0,1,0,0,0|2,0,0]=3 337 B10R0.6 CSCCNC(=O)C=C(C)C 1626a_100020590264_100000211388 [0,0,1,0,0,0|2,0,0]=3 338 B10R0.6 CSCCNC(=O)C=C(C)C 240690a_100020590264_100000211388 [0,0,1,0,0,0|2,0,0]=3 339 B10R0.6 CSCCNC(=O)C=C(C)Cl 11a_100020590264_200042562850 [0,0,1,0,0,0|3,0,0]=4 340 B10R0.6 CSCCNC(=O)C=C(C)Cl 1626a_100020590264_200042562850 [0,0,1,0,0,0|3,0,0]=4 341 B10R0.6 CSCCNC(=O)C=C(C)Cl 240690a_100020590264_200042562850 [0,0,1,0,0,0|3,0,0]=4 342 B10R0.6 CSCCNC(=O)C=C(C)I 11a_100020590264_100025716642 [0,0,1,0,0,0|3,0,0]=4 343 B10R0.6 CSCCNC(=O)C=C(C)I 1626a_100020590264_100025716642 [0,0,1,0,0,0|3,0,0]=4 344 B10R0.6 C[S+](C)CC(=O)CCCCF 1458a_200159257847_100000729493 [0,0,1,0,0,0|2,0,1]=4 345 B10R0.6 C[S+](C)CC(=O)CCCCO 1458a_200159257847_100000210776 [0,0,1,0,0,0|2,0,1]=4 346 B10R0.6 O=C(C=C(Cl)Cl)CCCCF 1458a_100000137448_100000729493 [0,0,1,0,0,0|3,0,0]=4 347 B10R0.6 O=C(C=C(Cl)Cl)CCCCO 1458a_100000137448_100000210776 [0,0,1,0,0,0|3,0,0]=4 348 B10R0.79 C=C(C)CN(CCC)CCC 2230a_100000210455_100000748629 [0,0,1,0,0,0|2,0,1]=4 349 B10R0.79 C=C(C)CN(CCC)CCC 269982a_100000210455_100000748629 [0,0,1,0,0,0|2,0,1]=4 350 B10R0.79 C=C(C)CN(CCC)CCO 2230a_100000211420_100000748629 [0,0,1,0,0,0|1,0,2]=4 351 B10R0.79 C=C(C)CN(CCC)CCO 269982a_100000211420_100000748629 [0,0,1,0,0,0|1,0,2]=4 352 B10R0.79 C=C(F)CN(CCC)CCC 2230a_100000210455_100009893438 [0,0,1,0,0,0|2,0,1]=4 353 B10R0.79 C=C(F)CN(CCC)CCC 269982a_100000210455_100009893438 [0,0,1,0,0,0|2,0,1]=4 354 B10R0.79 C=CCN(CCC)CC(=C)Br 2230a_100011364060_100000210303 [0,0,1,0,0,0|2,0,1]=4 355 B10R0.79 C=CCN(CCC)CC(=O)O 269956a_100000744315_100000210207 [0,0,1,0,0,0|2,0,1]=4 356 B10R0.79 CCCC(CCC)NC(=O)C 11a_100011207992_100015343762 [0,0,1,0,0,0|1,0,2]=4 357 B10R0.79 CCCC(CCC)NC(=O)C 1626a_100011207992_100015343762 [0,0,1,0,0,0|1,0,2]=4 358 B10R0.79 CCCC(CCC)NC(=O)C 240690a_100011207992_100015343762 [0,0,1,0,0,0|1,0,2]=4 359 B10R0.79 CCCC(CCC)NC(=O)C 527a_100011207992_100103153847 [0,0,1,0,0,0|1,0,2]=4 360 B10R0.79 CCCN(CCC)CC(=O)C 1458a_200011243382_200000210301 [0,0,1,0,0,0|1,0,2]=4 361 B10R0.79 CCCN(CCC)CC(=O)N 2230a_100000210455_100000747473 [0,0,1,0,0,0|2,0,1]=4 362 B10R0.79 CCCN(CCC)CC(=O)N 269982a_100000210455_100000187820 [0,0,1,0,0,0|2,0,1]=4 363 B10R0.79 CCCN(CCC)CC(=O)[13CH3] 1458a_200011243382_200025704644 [0,0,1,0,0,0|1,0,2]=4 364 B10R0.79 CCCN(CCC)CC(=O)[O-] 269982a_100000210455_100020667443 [0,0,1,0,0,0|2,0,1]=4 365 B10R1.130 CCNC1CC(=O)NC1=O 2230a_100102712934_100000210202 [0,0,0,0,1,0|3,0,0]=4 366 B10R1.130 CCNC1CC(OC1=O)C 2230a_100015525214_200000216747 [0,0,0,0,1,0|2,0,1]=4 367 B10R1.130 CCOC1CC(OC1=O)C 34a_100121572206_200000216747 [0,0,0,0,1,0|2,0,1]=4 368 B10R1.130 CCSC1CC(OC1=O)C 62a_100000210202_200000216747 [0,0,0,0,1,0|2,0,1]=4 369 B10R1.130 CCSC1CC(OC1=O)C 62a_200000216747_100000210202 [0,0,0,0,1,0|2,0,1]=4 370 B10R1.131 CCNC1C=C(C(=O)O1)C 2230a_100015525214_200009893386 [0,0,0,0,1,0|2,0,1]=4 371 B10R1.131 CCNC1CC(=O)N(C1)C 2230a_100000748898_100000210202 [0,0,0,0,1,0|2,0,0]=3 372 B10R1.131 CCNC1CC(=O)N(C1)C 34a_100000748898_100000210202 [0,0,0,0,1,0|2,0,0]=3 373 B10R1.131 CCSC1C=C(C(=O)O1)C 62a_100000210202_200009893386 [0,0,0,0,1,0|2,0,1]=4 374 B10R1.131 CCSC1C=C(C(=O)O1)C 62a_200009893386_100000210202 [0,0,0,0,1,0|2,0,1]=4 375 B10R1.131 CN1CC(CC1=O)CO[13CH3] 34a_100015185614_200025704644 [0,0,0,0,1,0|2,0,0]=3 376 B10R1.131 CN1CC(CC1=O)NCF 34a_100000748898_100015361967 [0,0,0,0,1,0|3,0,0]=4 377 B10R1.131 COCC1CC(=O)N(C1)C 34a_100015185614_200000210301 [0,0,0,0,1,0|2,0,0]=3 378 B9R0.5 C#CCCCC(=O)C=CC 1458a_100000210699_100000731252 [1,0,1,0,0,0|0,0,2]=4 379 B9R0.5 C/C=C/C(C)OCCCC 34a_200102604097_100000210210 [1,0,1,0,0,0|1,0,1]=4 380 B9R0.5 C/C=C/COC(C)CCC 34a_100000764384_100102629194 [1,0,1,0,0,0|1,0,1]=4 381 B9R0.5 C/C=C/COC(C)CCC 34a_100016270725_100000766640 [1,0,1,0,0,0|1,0,1]=4 382 B9R0.5 C/C=C/COC(C)CCC 7a_100000764384_100102629194 [1,0,1,0,0,0|1,0,1]=4 383 B9R0.5 C/C=C/CSC(C)CCC 62a_100000766640_100102629194 [1,0,1,0,0,0|1,0,1]=4 384 B9R0.5 C/C=C/CSC(C)CCC 62a_100102629194_100000766640 [1,0,1,0,0,0|1,0,1]=4 385 B9R0.5 C=CCC(=O)CCCCC 1458a_100000210193_100000210326 [1,0,1,0,0,0|0,0,2]=4 386 B9R0.5 C=CCC(=O)CCCCC 1458a_100000212188_100000210623 [1,0,1,0,0,0|0,0,2]=4 387 B9R0.5 C=CCCCC(=O)C=CC 1458a_100000210699_100000757094 [1,0,1,0,0,0|0,0,2]=4 388 B9R0.5 CC#CC(=O)CCCCC 1458a_100000763181_100000210326 [1,0,1,0,0,0|0,0,2]=4 389 B9R0.5 CC/C=C\CN(C)CCC 2230a_100000747261_100103147603 [1,0,1,0,0,0|1,0,1]=4 390 B9R0.5 CC/C=C\CN(C)CCC 269982a_100000747261_100103147603 [1,0,1,0,0,0|1,0,1]=4 391 B9R0.5 CC=CC(=NNCCC)C 4a_100000740057_100011218416 [1,0,1,0,0,0|2,0,0]=4 392 B9R0.5 CC=CC(=O)C/C=C\CC 1458a_100000210699_100103147603 [1,0,1,0,0,0|0,0,2]=4 393 B9R0.5 CC=CC(=O)CC#CCC 1458a_100000210699_100009813939 [1,0,1,0,0,0|0,0,2]=4 394 B9R0.5 CC=CC(=O)CCCC#N 1458a_100000210699_100000211468 [1,0,1,0,0,0|1,0,1]=4 395 B9R0.5 CC=CC(=O)CCCCC 1458a_100000210699_100000210326 [1,0,1,0,0,0|0,0,0]=2 396 B9R0.5 CC=CC(=O)CCCCF 1458a_100000210699_100000729493 [1,0,1,0,0,0|1,0,0]=3 397 B9R0.5 CC=CC(=O)CCCCO 1458a_100000210699_100000210776 [1,0,1,0,0,0|1,0,0]=3 398 B9R0.5 CC=CC(=O)CCCOC 1458a_100000210699_100000740836 [1,0,1,0,0,0|1,0,0]=3 399 B9R0.5 CC=CC(=O)CCOCC 1458a_100000210699_100011215890 [1,0,1,0,0,0|1,0,0]=3 400 B9R0.5 CC=CC(=O)CCSCC 1458a_100000210699_100000757381 [1,0,1,0,0,0|1,0,0]=3 401 B9R0.5 CC=CC(=O)NCCCC 11a_100000102301_100000210699 [1,0,1,0,0,0|1,0,0]=3 402 B9R0.5 CC=CC(=O)NCCCC 1626a_100000102301_100000210699 [1,0,1,0,0,0|1,0,0]=3 403 B9R0.5 CC=CC(=O)NCCCC 240690a_100000102301_100000210699 [1,0,1,0,0,0|1,0,0]=3 404 B9R0.5 CC=CC(=O)NCCCF 11a_100015189416_100000210699 [1,0,1,0,0,0|2,0,0]=4 405 B9R0.5 CC=CC(=O)NCCCF 1626a_100015189416_100000210699 [1,0,1,0,0,0|2,0,0]=4 406 B9R0.5 CC=CC(=O)NCCCF 240690a_100015189416_100000210699 [1,0,1,0,0,0|2,0,0]=4 407 B9R0.5 CC=CC(=O)NCCCO 240690a_100000182051_100000210699 [1,0,1,0,0,0|2,0,0]=4 408 B9R0.5 CC=CC(=O)NCCOC 1626a_100000209980_100000210699 [1,0,1,0,0,0|2,0,0]=4 409 B9R0.5 CC=CC(=O)NCCOC 240690a_100000209980_100000210699 [1,0,1,0,0,0|2,0,0]=4 410 B9R0.5 CC=CC(=O)NCCSC 11a_100020590264_100000210699 [1,0,1,0,0,0|2,0,0]=4 411 B9R0.5 CC=CC(=O)NCCSC 1626a_100020590264_100000210699 [1,0,1,0,0,0|2,0,0]=4 412 B9R0.5 CC=CC(=O)NCCSC 240690a_100020590264_100000210699 [1,0,1,0,0,0|2,0,0]=4 413 B9R0.5 CC=CC(=O)NNCCC 22a_100000740057_100000210699 [1,0,1,0,0,0|2,0,0]=4 414 B9R0.5 CC=CCNC(C)CCC 2230a_100000741246_100000070051 [1,0,1,0,0,0|1,0,1]=4 415 B9R0.5 CC=CCOC(C)CCC 34a_100000764384_100000070051 [1,0,1,0,0,0|1,0,1]=4 416 B9R0.5 CC=CCOC(C)CCC 7a_100000764384_100000070051 [1,0,1,0,0,0|1,0,1]=4 417 B9R0.5 CC=CCSC(C)CCC 62a_100000070051_100000766640 [1,0,1,0,0,0|1,0,1]=4 418 B9R0.5 CC=CCSC(C)CCC 62a_100000766640_100000070051 [1,0,1,0,0,0|1,0,1]=4 419 B9R0.5 CCCC(C)COCC=O 34a_100000688023_200009817547 [1,0,1,0,0,0|1,0,1]=4 420 B9R0.5 CCCC(C)COCC=O 7a_100000688023_200015260668 [1,0,1,0,0,0|1,0,1]=4 421 B9R0.5 CCCC(C)CSCC=O 62a_100011216630_200015260668 [1,0,1,0,0,0|1,0,1]=4 422 B9R0.5 CCCC(C)CSCC=O 62a_200015260668_100011216630 [1,0,1,0,0,0|1,0,1]=4 423 B9R0.5 CCCCCC(=O)C=CBr 1458a_100016273825_100000210326 [1,0,1,0,0,0|1,0,0]=3 424 B9R0.5 CCCCCC(=O)C=CCl 1458a_200016279998_100000210326 [1,0,1,0,0,0|1,0,0]=3 425 B9R0.5 CCCCCC(=O)C=CI 1458a_100016256311_100000210326 [1,0,1,0,0,0|1,0,0]=3 426 B9R0.5 CCCCCC(=O)CCC 1458a_100000211992_100000210326 [1,0,1,0,0,0|0,0,2]=4 427 B9R0.5 CCCCCC(=O)CCC 1458a_100000212188_100000210303 [1,0,1,0,0,0|0,0,2]=4 428 B9R0.5 CCCCCC(=O)CNC 2230a_106832991635_200012276598 [1,0,1,0,0,0|1,0,1]=4 429 B9R0.5 CCCCCC(=O)CNC 34a_100102657272_200012276598 [1,0,1,0,0,0|1,0,1]=4 430 B9R0.5 CCCCCC(=O)CNC 7a_106832991635_200012276598 [1,0,1,0,0,0|1,0,1]=4 431 B9R0.5 CCCCCC(=O)COC 1458a_100000210968_100000210326 [1,0,1,0,0,0|1,0,1]=4 432 B9R0.5 CCCCCC(=O)COC 34a_100138415774_200012276598 [1,0,1,0,0,0|1,0,1]=4 433 B9R0.5 CCCCCC(=O)CSC 1458a_100000184570_100000210326 [1,0,1,0,0,0|1,0,1]=4 434 B9R0.5 CCCCCC(=O)CSC 62a_200000210301_200012276598 [1,0,1,0,0,0|1,0,1]=4 435 B9R0.5 CCCCCC(=O)CSC 62a_200012276598_200000210301 [1,0,1,0,0,0|1,0,1]=4 436 B9R0.5 CCCCCC(=O)CS[13CH3] 62a_200012276598_200025704644 [1,0,1,0,0,0|1,0,1]=4 437 B9R0.5 CCCCCC(=O)CS[13CH3] 62a_200025704644_200012276598 [1,0,1,0,0,0|1,0,1]=4 438 B9R0.5 CCCCCC(=O)NCC 11a_100015525214_100000212188 [1,0,1,0,0,0|1,0,1]=4 439 B9R0.5 CCCCCC(=O)NCC 240690a_100015525214_100000212188 [1,0,1,0,0,0|1,0,1]=4 440 B9R0.5 CCCCCC(=O)NCC 527a_100015525214_100000212188 [1,0,1,0,0,0|1,0,1]=4 441 B9R0.5 CCCCCC(=O)NNC 22a_100016993582_100000212188 [1,0,1,0,0,0|2,0,0]=4 442 B9R0.5 CCCCCN(C)CC=O 2230a_100000223495_200015260668 [1,0,1,0,0,0|1,0,1]=4 443 B9R0.5 CCCCCN(C)CC=O 269982a_100000223495_200015260668 [1,0,1,0,0,0|1,0,1]=4 444 B9R0.5 CCCCNC(=O)C=CBr 1626a_100000102301_100016273825 [1,0,1,0,0,0|2,0,0]=4 445 B9R0.5 CCCCNC(=O)C=CBr 240690a_100000102301_100016273825 [1,0,1,0,0,0|2,0,0]=4 446 B9R0.5 CCCCNC(=O)C=CCl 11a_100000102301_200016279998 [1,0,1,0,0,0|2,0,0]=4 447 B9R0.5 CCCCNC(=O)C=CCl 1626a_100000102301_200016279998 [1,0,1,0,0,0|2,0,0]=4 448 B9R0.5 CCCCNC(=O)C=CCl 240690a_100000102301_200016279998 [1,0,1,0,0,0|2,0,0]=4 449 B9R0.5 CCCCNC(=O)C=CI 1626a_100000102301_100016256311 [1,0,1,0,0,0|2,0,0]=4 450 B9R0.5 CCOCCC(=O)C=CBr 1458a_100016273825_100011215890 [1,0,1,0,0,0|2,0,0]=4 451 B9R0.5 CCOCCC(=O)C=CCl 1458a_200016279998_100011215890 [1,0,1,0,0,0|2,0,0]=4 452 B9R0.5 CCOCCC(=O)C=CI 1458a_100016256311_100011215890 [1,0,1,0,0,0|2,0,0]=4 453 B9R0.5 CCSCCC(=O)C=CBr 1458a_100016273825_100000757381 [1,0,1,0,0,0|2,0,0]=4 454 B9R0.5 CCSCCC(=O)C=CCl 1458a_200016279998_100000757381 [1,0,1,0,0,0|2,0,0]=4 455 B9R0.5 CCSCCC(=O)C=CI 1458a_100016256311_100000757381 [1,0,1,0,0,0|2,0,0]=4 456 B9R0.5 COCCCC(=O)C=CBr 1458a_100016273825_100000740836 [1,0,1,0,0,0|2,0,0]=4 457 B9R0.5 COCCCC(=O)C=CCl 1458a_200016279998_100000740836 [1,0,1,0,0,0|2,0,0]=4 458 B9R0.5 COCCCC(=O)C=CI 1458a_100016256311_100000740836 [1,0,1,0,0,0|2,0,0]=4 459 B9R0.5 O=C(C=CBr)CCCCF 1458a_100016273825_100000729493 [1,0,1,0,0,0|2,0,0]=4 460 B9R0.5 O=C(C=CBr)CCCCO 1458a_100016273825_100000210776 [1,0,1,0,0,0|2,0,0]=4 461 B9R0.5 O=C(C=CCl)CCCCF 1458a_200016279998_100000729493 [1,0,1,0,0,0|2,0,0]=4 462 B9R0.5 O=C(C=CCl)CCCCO 1458a_200016279998_100000210776 [1,0,1,0,0,0|2,0,0]=4 463 B9R0.5 O=C(C=CI)CCCCF 1458a_100016256311_100000729493 [1,0,1,0,0,0|2,0,0]=4 464 B9R0.5 O=C(C=CI)CCCCO 1458a_100016256311_100000210776 [1,0,1,0,0,0|2,0,0]=4 465 B9R0.34 C#CC(=O)CC(C)CCC 1458a_100000211873_100011216630 [1,0,1,0,0,0|0,0,2]=4 466 B9R0.34 C=CC(=O)CC(=O)CCC 1458a_100000185746_100000747444 [1,0,1,0,0,0|1,0,1]=4 467 B9R0.34 C=CC(=O)CC(C)CCC 1458a_100000185746_100011216630 [1,0,1,0,0,0|0,0,0]=2 468 B9R0.34 C=CC(=O)NC(C)CCC 1626a_100000741246_100000185746 [1,0,1,0,0,0|1,0,0]=3 469 B9R0.34 C=CC(=O)NC(C)CCC 240690a_100000741246_200121576911 [1,0,1,0,0,0|1,0,0]=3 470 B9R0.34 C=CC(=O)N[C@H](C)CCO 240690a_100000706166_200121576911 [1,0,1,0,0,0|2,0,0]=4 471 B9R0.34 C=CC(=O)N[C@H](C)COC 1626a_100000764878_100000185746 [1,0,1,0,0,0|2,0,0]=4 472 B9R0.34 C=CC(=O)N[C@H](C)COC 240690a_100000764878_200121576911 [1,0,1,0,0,0|2,0,0]=4 473 B9R0.34 C=CC(C)OC(C)CCC 34a_100000695699_100000766640 [1,0,1,0,0,0|1,0,1]=4 474 B9R0.34 C=CC(C)SC(C)CCC 62a_100011215867_100000766640 [1,0,1,0,0,0|1,0,1]=4 475 B9R0.34 C=CCC(=O)CC(C)CC 1458a_100000210193_100000748023 [1,0,1,0,0,0|0,0,2]=4 476 B9R0.34 C=CCC(=O)CC(C)CC 1458a_100000708755_100000210623 [1,0,1,0,0,0|0,0,2]=4 477 B9R0.34 C=CCC(=O)C[C@@H](C)CC 1458a_100000210193_100009816398 [1,0,1,0,0,0|0,0,2]=4 478 B9R0.34 CC#CC(=O)CC(C)CC 1458a_100000763181_100000748023 [1,0,1,0,0,0|0,0,2]=4 479 B9R0.34 CC#CC(=O)C[C@@H](C)CC 1458a_100000763181_100009816398 [1,0,1,0,0,0|0,0,2]=4 480 B9R0.34 CC=CC(=O)CC(=O)CC 1458a_100000210699_100000747405 [1,0,1,0,0,0|1,0,1]=4 481 B9R0.34 CC=CC(=O)CC(C)CC 1458a_100000210699_100000748023 [1,0,1,0,0,0|0,0,0]=2 482 B9R0.34 CC=CC(=O)CC(O)CC 1458a_100000210699_100011218378 [1,0,1,0,0,0|1,0,0]=3 483 B9R0.34 CC=CC(=O)C[C@@H](C)CC 1458a_100000210699_100009816398 [1,0,1,0,0,0|0,0,0]=2 484 B9R0.34 CC=CC(=O)C[C@@H](C)CO 1458a_100000210699_100000059175 [1,0,1,0,0,0|1,0,0]=3 485 B9R0.34 CC=CC(=O)NC(C)CC 11a_100000209981_100000210699 [1,0,1,0,0,0|1,0,0]=3 486 B9R0.34 CC=CC(=O)NC(C)CC 1626a_100000209981_100000210699 [1,0,1,0,0,0|1,0,0]=3 487 B9R0.34 CC=CC(=O)NC(C)CC 240690a_100000209981_100000210699 [1,0,1,0,0,0|1,0,0]=3 488 B9R0.34 CC=CC(=O)N[C@H](C)CF 11a_100102880703_100000210699 [1,0,1,0,0,0|2,0,0]=4 489 B9R0.34 CC=CC(=O)N[C@H](C)CF 1626a_100102880703_100000210699 [1,0,1,0,0,0|2,0,0]=4 490 B9R0.34 CC=CC(=O)N[C@H](C)CF 240690a_100102880703_100000210699 [1,0,1,0,0,0|2,0,0]=4 491 B9R0.34 CC=CC(=O)N[C@H](C)CO 240690a_100000737577_100000210699 [1,0,1,0,0,0|2,0,0]=4 492 B9R0.34 CCC(C)CC(=O)C=CBr 1458a_100016273825_100000748023 [1,0,1,0,0,0|1,0,0]=3 493 B9R0.34 CCC(C)CC(=O)C=CCl 1458a_200016279998_100000748023 [1,0,1,0,0,0|1,0,0]=3 494 B9R0.34 CCC(C)CC(=O)C=CI 1458a_100016256311_100000748023 [1,0,1,0,0,0|1,0,0]=3 495 B9R0.34 CCC(C)CC(=O)COC 1458a_100000210968_100000748023 [1,0,1,0,0,0|1,0,1]=4 496 B9R0.34 CCC(C)CC(=O)CSC 1458a_100000184570_100000748023 [1,0,1,0,0,0|1,0,1]=4 497 B9R0.34 CCC(C)CC(=O)NNC 22a_100016993582_100000708755 [1,0,1,0,0,0|2,0,0]=4 498 B9R0.34 CCC(C)CN(C)CC=O 2230a_100000753921_200015260668 [1,0,1,0,0,0|1,0,1]=4 499 B9R0.34 CCC(C)CN(C)CC=O 269982a_100000753921_200015260668 [1,0,1,0,0,0|1,0,1]=4 500 B9R0.34 CCC(C)NC(=O)C=CBr 1626a_100000209981_100016273825 [1,0,1,0,0,0|2,0,0]=4 501 B9R0.34 CCC(C)NC(=O)C=CBr 240690a_100000209981_100016273825 [1,0,1,0,0,0|2,0,0]=4 502 B9R0.34 CCC(C)NC(=O)C=CCl 11a_100000209981_200016279998 [1,0,1,0,0,0|2,0,0]=4 503 B9R0.34 CCC(C)NC(=O)C=CCl 1626a_100000209981_200016279998 [1,0,1,0,0,0|2,0,0]=4 504 B9R0.34 CCC(C)NC(=O)C=CCl 240690a_100000209981_200016279998 [1,0,1,0,0,0|2,0,0]=4 505 B9R0.34 CCC(C)NC(=O)C=CI 1626a_100000209981_100016256311 [1,0,1,0,0,0|2,0,0]=4 506 B9R0.34 CCC(O)CC(=O)C=CBr 1458a_100016273825_100011218378 [1,0,1,0,0,0|2,0,0]=4 507 B9R0.34 CCC(O)CC(=O)C=CCl 1458a_200016279998_100011218378 [1,0,1,0,0,0|2,0,0]=4 508 B9R0.34 CCC(O)CC(=O)C=CI 1458a_100016256311_100011218378 [1,0,1,0,0,0|2,0,0]=4 509 B9R0.34 CCCC(=O)CC(C)CC 1458a_100000211992_100000748023 [1,0,1,0,0,0|0,0,2]=4 510 B9R0.34 CCCC(=O)CC(C)CC 1458a_100000708755_100000210303 [1,0,1,0,0,0|0,0,2]=4 511 B9R0.34 CCCC(=O)C[C@@H](C)CC 1458a_100000211992_100009816398 [1,0,1,0,0,0|0,0,2]=4 512 B9R0.34 CCCC(C)CC(=O)CC 1458a_100000210414_100011216630 [1,0,1,0,0,0|0,0,1]=3 513 B9R0.34 CCCC(C)CC(=O)CC 1458a_100000748435_100000210202 [1,0,1,0,0,0|0,0,1]=3 514 B9R0.34 CCCC(C)CC(=O)CF 1458a_100000748435_100015361967 [1,0,1,0,0,0|1,0,1]=4 515 B9R0.34 CCCC(C)CC(=O)CO 1458a_100000210174_100011216630 [1,0,1,0,0,0|1,0,1]=4 516 B9R0.34 CCCC(C)CC(=O)NC 11a_106832991635_100000748435 [1,0,1,0,0,0|1,0,0]=3 517 B9R0.34 CCCC(C)CC(=O)NC 1626a_100102657272_100000748435 [1,0,1,0,0,0|1,0,0]=3 518 B9R0.34 CCCC(C)CC(=O)NC 240690a_100102657272_100000748435 [1,0,1,0,0,0|1,0,0]=3 519 B9R0.34 CCCC(C)CC(=O)NC 527a_100102657272_100000748435 [1,0,1,0,0,0|1,0,0]=3 520 B9R0.34 CCCC(C)NC(=O)CC 11a_100000741246_100000210414 [1,0,1,0,0,0|1,0,1]=4 521 B9R0.34 CCCC(C)NC(=O)CC 1626a_100000741246_100000210414 [1,0,1,0,0,0|1,0,1]=4 522 B9R0.34 CCCC(C)NC(=O)CC 240690a_100000741246_100000210414 [1,0,1,0,0,0|1,0,1]=4 523 B9R0.34 CCCC(C)NC(=O)CC 527a_100000741246_100000210414 [1,0,1,0,0,0|1,0,1]=4 524 B9R0.34 CCCC(C)NC(=O)NC 2708a_100000741246_106832991635 [1,0,1,0,0,0|2,0,0]=4 525 B9R0.34 CCCC(C)NC(=O)NC 2708a_100102657272_100000741246 [1,0,1,0,0,0|2,0,0]=4 526 B9R0.34 CCCC(C)NC(=O)NC 273464a_100000741246_100102657272 [1,0,1,0,0,0|2,0,0]=4 527 B9R0.34 CCCC(C)NC(=O)NC 512a_100000741246_100102657272 [1,0,1,0,0,0|2,0,0]=4 528 B9R0.34 CCCC(C)NC(=O)NC 512a_106832991638_100000741246 [1,0,1,0,0,0|2,0,0]=4 529 B9R0.34 CCCN(C)CC(=O)CC 269982a_100000747261_100000747405 [1,0,1,0,0,0|1,0,1]=4 530 B9R0.34 CCCN(C)CC(=O)NC 2230a_100000189611_100000210303 [1,0,1,0,0,0|2,0,0]=4 531 B9R0.34 CCCN(C)CC(=O)NC 2230a_100000747261_100000183359 [1,0,1,0,0,0|2,0,0]=4 532 B9R0.34 CCCN(C)CC(=O)NC 269982a_100000747261_100000183359 [1,0,1,0,0,0|2,0,0]=4 533 B9R0.34 CCCN(C)CC(=O)OC 2230a_100000198492_100000210303 [1,0,1,0,0,0|2,0,0]=4 534 B9R0.34 CCCN(C)CC(=O)OC 2230a_100000747261_100000747449 [1,0,1,0,0,0|2,0,0]=4 535 B9R0.34 CCCN(C)CC(=O)OC 269982a_100000747261_100000747449 [1,0,1,0,0,0|2,0,0]=4 536 B9R0.34 CCNC(=O)CC(C)CC 11a_100015525214_100000708755 [1,0,1,0,0,0|1,0,1]=4 537 B9R0.34 CCNC(=O)CC(C)CC 240690a_100015525214_100000708755 [1,0,1,0,0,0|1,0,1]=4 538 B9R0.34 CCNC(=O)CC(C)CC 527a_100015525214_100000708755 [1,0,1,0,0,0|1,0,1]=4 539 B9R0.34 CCNC(C)CC(=O)OC 2230a_100015525214_100009817358 [1,0,1,0,0,0|2,0,0]=4 540 B9R0.34 CCOC(C)CC(=O)OC 34a_100121572206_100009817358 [1,0,1,0,0,0|2,0,0]=4 541 B9R0.34 CCSC(C)CC(=O)CC 1458a_200011311441_100000210202 [1,0,1,0,0,0|1,0,1]=4 542 B9R0.34 CCSC(C)CC(=O)NC 11a_106832991635_200011311441 [1,0,1,0,0,0|2,0,0]=4 543 B9R0.34 CCSC(C)CC(=O)NC 1626a_100102657272_200011311441 [1,0,1,0,0,0|2,0,0]=4 544 B9R0.34 CCSC(C)CC(=O)NC 240690a_100102657272_200011311441 [1,0,1,0,0,0|2,0,0]=4 545 B9R0.34 CCSC(C)CC(=O)NC 527a_100102657272_200011311441 [1,0,1,0,0,0|2,0,0]=4 546 B9R0.34 CCSC(C)CC(=O)OC 62a_100000210202_100009817358 [1,0,1,0,0,0|2,0,0]=4 547 B9R0.34 CCSC(C)CC(=O)OC 62a_100009817358_100000210202 [1,0,1,0,0,0|2,0,0]=4 548 B9R0.34 CC[C@H](C)CC(=O)C=CBr 1458a_100016273825_100009816398 [1,0,1,0,0,0|1,0,0]=3 549 B9R0.34 CC[C@H](C)CC(=O)C=CCl 1458a_200016279998_100009816398 [1,0,1,0,0,0|1,0,0]=3 550 B9R0.34 CC[C@H](C)CC(=O)C=CI 1458a_100016256311_100009816398 [1,0,1,0,0,0|1,0,0]=3 551 B9R0.34 CC[C@H](C)CC(=O)COC 1458a_100000210968_100009816398 [1,0,1,0,0,0|1,0,1]=4 552 B9R0.34 CC[C@H](C)CC(=O)CSC 1458a_100000184570_100009816398 [1,0,1,0,0,0|1,0,1]=4 553 B9R0.34 C[C@@H](CO)CC(=O)C=CBr 1458a_100016273825_100000059175 [1,0,1,0,0,0|2,0,0]=4 554 B9R0.34 C[C@@H](CO)CC(=O)C=CCl 1458a_200016279998_100000059175 [1,0,1,0,0,0|2,0,0]=4 555 B9R0.34 C[C@@H](CO)CC(=O)C=CI 1458a_100016256311_100000059175 [1,0,1,0,0,0|2,0,0]=4 556 B9R0.2 CCC/C=C/C=CC(=O)C 1458a_200016258893_200000210301 [1,0,1,0,0,0|0,0,2]=4 557 B9R0.2 CCC/C=C/C=CC(=O)[13CH3] 1458a_200016258893_200025704644 [1,0,1,0,0,0|0,0,2]=4 558 B9R0.2 CCCC/C=C/CC(=O)C 1458a_200016282684_200000210301 [1,0,1,0,0,0|0,0,2]=4 559 B9R0.2 CCCC/C=C/CC(=O)[13CH3] 1458a_200016282684_200025704644 [1,0,1,0,0,0|0,0,2]=4 560 B9R0.2 CCCCCC#CC(=O)C 1458a_100011215388_200000210301 [1,0,1,0,0,0|0,0,2]=4 561 B9R0.2 CCCCCC#CC(=O)[13CH3] 1458a_100011215388_200025704644 [1,0,1,0,0,0|0,0,2]=4 562 B9R0.2 CCCCCC=CC(=O)C 1458a_100016263427_200000210301 [1,0,1,0,0,0|0,0,0]=2 563 B9R0.2 CCCCCC=CC(=O)[13CH3] 1458a_100016263427_200025704644 [1,0,1,0,0,0|0,0,0]=2 564 B9R0.2 CCCCCCCC(=O)C 1458a_100000070787_100000210614 [1,0,1,0,0,0|0,0,2]=4 565 B9R0.2 CCCCCCCC(=O)C 1458a_100000211969_200000210301 [1,0,1,0,0,0|0,0,2]=4 566 B9R0.2 CCCCCCCC(=O)[13CH3] 1458a_100000211969_200025704644 [1,0,1,0,0,0|0,0,2]=4 567 B9R0.2 CCCCCCNC(=O)C 11a_100000210581_100015343762 [1,0,1,0,0,0|1,0,1]=4 568 B9R0.2 CCCCCCNC(=O)C 1626a_100000210581_100015343762 [1,0,1,0,0,0|1,0,1]=4 569 B9R0.2 CCCCCCNC(=O)C 240690a_100000210581_100015343762 [1,0,1,0,0,0|1,0,1]=4 570 B9R0.2 CCCCCCNC(=O)C 527a_100000210581_100103153847 [1,0,1,0,0,0|1,0,1]=4 571 B9R0.2 CCCCCNNC(=O)C 22a_100000694160_100000070787 [1,0,1,0,0,0|2,0,0]=4 572 B9R0.2 CCCCCOCC(=O)C 34a_100000211253_100000718602 [1,0,1,0,0,0|1,0,1]=4 573 B9R0.2 CCCCNCC=C(C)C 2230a_100000102301_100000761012 [1,0,1,0,0,0|1,0,1]=4 574 B9R0.2 CCCCNCC=C(C)C 34a_100000718196_100000210210 [1,0,1,0,0,0|1,0,1]=4 575 B9R0.2 CCCCNCC=C(C)C 7a_106832991798_100000761012 [1,0,1,0,0,0|1,0,1]=4 576 B9R0.2 CCCCOCC=C(C)C 34a_100000210227_100000761012 [1,0,1,0,0,0|1,0,1]=4 577 B9R0.2 CCCCOCC=C(C)C 34a_100000753907_100000210210 [1,0,1,0,0,0|1,0,1]=4 578 B9R0.2 CCCCOCC=C(C)C 7a_100000210227_100000761012 [1,0,1,0,0,0|1,0,1]=4 579 B9R0.2 CCCCSCC=C(C)C 62a_100000210211_100000761012 [1,0,1,0,0,0|1,0,1]=4 580 B9R0.2 CCCCSCC=C(C)C 62a_100000761012_100000210210 [1,0,1,0,0,0|1,0,1]=4 581 B9R0.2 CCCNN=CC=C(C)C 4a_100000740057_100011215525 [1,0,1,0,0,0|2,0,0]=4 582 B9R0.2 CCCOCCC=C(C)C 34a_100000210258_100011217483 [1,0,1,0,0,0|1,0,1]=4 583 B9R0.2 CCCSCCC=C(C)C 62a_100000210303_100011217483 [1,0,1,0,0,0|1,0,1]=4 584 B9R0.2 CCCSCCC=C(C)C 62a_100011217483_100000210303 [1,0,1,0,0,0|1,0,1]=4 585 B9R0.4 C#CCCC(=O)C=C(C)C 1458a_100000211388_100000753159 [1,0,1,0,0,0|0,0,2]=4 586 B9R0.4 C/C=C/CC(=O)C=C(C)C 1458a_100000211388_100102629194 [1,0,1,0,0,0|0,0,2]=4 587 B9R0.4 C=C(C)CC(=O)CCCC 1458a_100000210183_100000748629 [1,0,1,0,0,0|0,0,2]=4 588 B9R0.4 C=CCCC(=O)C=C(C)C 1458a_100000211388_100000754431 [1,0,1,0,0,0|0,0,2]=4 589 B9R0.4 CC#CCC(=O)C=C(C)C 1458a_100000211388_100000748600 [1,0,1,0,0,0|0,0,2]=4 590 B9R0.4 CC(=CC(=O)CCC#N)C 1458a_100000211388_100011215226 [1,0,1,0,0,0|1,0,1]=4 591 B9R0.4 CC(=CC(=O)CCCF)C 1458a_100000211388_100011934791 [1,0,1,0,0,0|1,0,0]=3 592 B9R0.4 CC(=CC(=O)CCCF)Cl 1458a_200042562850_100011934791 [1,0,1,0,0,0|2,0,0]=4 593 B9R0.4 CC(=CC(=O)CCCF)I 1458a_100025716642_100011934791 [1,0,1,0,0,0|2,0,0]=4 594 B9R0.4 CC(=CC(=O)CCCO)C 1458a_100000211388_100011215043 [1,0,1,0,0,0|1,0,0]=3 595 B9R0.4 CC(=CC(=O)CCCO)Cl 1458a_200042562850_100011215043 [1,0,1,0,0,0|2,0,0]=4 596 B9R0.4 CC(=CC(=O)CCCO)I 1458a_100025716642_100011215043 [1,0,1,0,0,0|2,0,0]=4 597 B9R0.4 CC(=CC(=O)NCCF)C 11a_100000724931_100000211388 [1,0,1,0,0,0|2,0,0]=4 598 B9R0.4 CC(=CC(=O)NCCF)C 1626a_100000724931_100000211388 [1,0,1,0,0,0|2,0,0]=4 599 B9R0.4 CC(=CC(=O)NCCF)C 240690a_100000724931_100000211388 [1,0,1,0,0,0|2,0,0]=4 600 B9R0.4 CC(=CC(=O)NCCO)C 240690a_100000210304_100000211388 [1,0,1,0,0,0|2,0,0]=4 601 B9R0.4 CC=CCC(=O)C=C(C)C 1458a_100000211388_100000070051 [1,0,1,0,0,0|0,0,2]=4 602 B9R0.4 CCCCC(=O)C=C(C)C 1458a_100000211388_100000210211 [1,0,1,0,0,0|0,0,0]=2 603 B9R0.4 CCCCC(=O)C=C(C)Cl 1458a_200042562850_100000210211 [1,0,1,0,0,0|1,0,0]=3 604 B9R0.4 CCCCC(=O)C=C(C)I 1458a_100025716642_100000210211 [1,0,1,0,0,0|1,0,0]=3 605 B9R0.4 CCCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000210211 [1,0,1,0,0,0|2,0,0]=4 606 B9R0.4 CCCCC(=O)CC(C)C 1458a_100000210183_100000210624 [1,0,1,0,0,0|0,0,2]=4 607 B9R0.4 CCCCC(=O)CC(C)C 1458a_100000210554_100000210211 [1,0,1,0,0,0|0,0,2]=4 608 B9R0.4 CCCCC(=O)CN(C)C 1458a_100000750896_100000210211 [1,0,1,0,0,0|1,0,1]=4 609 B9R0.4 CCCCC(=O)C[S+](C)C 1458a_200159257847_100000210211 [1,0,1,0,0,0|1,0,1]=4 610 B9R0.4 CCCCC(=O)NC(C)C 11a_100138425928_100000210183 [1,0,1,0,0,0|1,0,1]=4 611 B9R0.4 CCCCC(=O)NC(C)C 1626a_100138425928_100000210183 [1,0,1,0,0,0|1,0,1]=4 612 B9R0.4 CCCCC(=O)NC(C)C 240690a_100138425928_100000210183 [1,0,1,0,0,0|1,0,1]=4 613 B9R0.4 CCCCC(=O)NC(C)C 527a_100138425928_100000210183 [1,0,1,0,0,0|1,0,1]=4 614 B9R0.4 CCCCC(C)NC(=O)C 11a_100000126638_100015343762 [1,0,1,0,0,0|1,0,1]=4 615 B9R0.4 CCCCC(C)NC(=O)C 1626a_100000126638_100015343762 [1,0,1,0,0,0|1,0,1]=4 616 B9R0.4 CCCCC(C)NC(=O)C 240690a_100000126638_100015343762 [1,0,1,0,0,0|1,0,1]=4 617 B9R0.4 CCCCC(C)NC(=O)C 527a_100000126638_100103153847 [1,0,1,0,0,0|1,0,1]=4 618 B9R0.4 CCCNC(=O)C=C(C)C 11a_100020643023_100000211388 [1,0,1,0,0,0|1,0,0]=3 619 B9R0.4 CCCNC(=O)C=C(C)C 1626a_100020643023_100000211388 [1,0,1,0,0,0|1,0,0]=3 620 B9R0.4 CCCNC(=O)C=C(C)C 240690a_100020643023_100000211388 [1,0,1,0,0,0|1,0,0]=3 621 B9R0.4 CCCNC(=O)C=C(C)Cl 11a_100020643023_200042562850 [1,0,1,0,0,0|2,0,0]=4 622 B9R0.4 CCCNC(=O)C=C(C)Cl 1626a_100020643023_200042562850 [1,0,1,0,0,0|2,0,0]=4 623 B9R0.4 CCCNC(=O)C=C(C)Cl 240690a_100020643023_200042562850 [1,0,1,0,0,0|2,0,0]=4 624 B9R0.4 CCCNC(=O)C=C(C)I 11a_100020643023_100025716642 [1,0,1,0,0,0|2,0,0]=4 625 B9R0.4 CCCNC(=O)C=C(C)I 1626a_100020643023_100025716642 [1,0,1,0,0,0|2,0,0]=4 626 B9R0.4 CCNNC(=O)C=C(C)C 22a_100000756455_100000211388 [1,0,1,0,0,0|2,0,0]=4 627 B9R0.4 COCCC(=O)C=C(C)C 1458a_100000211388_100000233755 [1,0,1,0,0,0|1,0,0]=3 628 B9R0.4 COCCC(=O)C=C(C)Cl 1458a_200042562850_100000233755 [1,0,1,0,0,0|2,0,0]=4 629 B9R0.4 COCCC(=O)C=C(C)I 1458a_100025716642_100000233755 [1,0,1,0,0,0|2,0,0]=4 630 B9R0.4 CSCCC(=O)C=C(C)C 1458a_100000211388_100000751147 [1,0,1,0,0,0|1,0,0]=3 631 B9R0.4 CSCCC(=O)C=C(C)Cl 1458a_200042562850_100000751147 [1,0,1,0,0,0|2,0,0]=4 632 B9R0.4 CSCCC(=O)C=C(C)I 1458a_100025716642_100000751147 [1,0,1,0,0,0|2,0,0]=4 633 B9R0.14 C=C(C)CN(CC)CC=O 2230a_100000211296_200015260668 [1,0,1,0,0,0|1,0,0]=3 634 B9R0.14 C=C(C)CN(CC)CC=O 269982a_100000211296_200015260668 [1,0,1,0,0,0|1,0,0]=3 635 B9R0.14 C=C(C)CN(CC)CCC 2230a_100000211296_100000210303 [1,0,1,0,0,0|1,0,1]=4 636 B9R0.14 C=C(C)CN(CC)CCC 2230a_100000226822_100000748629 [1,0,1,0,0,0|1,0,1]=4 637 B9R0.14 C=C(C)CN(CC)CCC 269982a_100000211296_100000210303 [1,0,1,0,0,0|1,0,1]=4 638 B9R0.14 C=C(C)CN(CC)CCC 269982a_100000226822_100000748629 [1,0,1,0,0,0|1,0,1]=4 639 B9R0.14 C=C(F)CN(CC)CCC 2230a_100000226822_100009893438 [1,0,1,0,0,0|2,0,0]=4 640 B9R0.14 C=C(F)CN(CC)CCC 269982a_100000226822_100009893438 [1,0,1,0,0,0|2,0,0]=4 641 B9R0.14 C=CCN(CC)CC(=C)C 2230a_100000211296_100000210623 [1,0,1,0,0,0|2,0,0]=4 642 B9R0.14 C=CCN(CC)CC(=C)C 269982a_100000211296_100000210623 [1,0,1,0,0,0|2,0,0]=4 643 B9R0.14 CCCC(CC)NC(=O)C 11a_100000747048_100015343762 [1,0,1,0,0,0|1,0,1]=4 644 B9R0.14 CCCC(CC)NC(=O)C 1626a_100000747048_100015343762 [1,0,1,0,0,0|1,0,1]=4 645 B9R0.14 CCCC(CC)NC(=O)C 240690a_100000747048_100015343762 [1,0,1,0,0,0|1,0,1]=4 646 B9R0.14 CCCC(CC)NC(=O)C 527a_100000747048_100103153847 [1,0,1,0,0,0|1,0,1]=4 647 B9R0.14 CCCN(CC)CC(=O)N 2230a_100000226822_100000747473 [1,0,1,0,0,0|2,0,0]=4 648 B9R0.14 CCCN(CC)CC(=O)N 269982a_100000226822_100000187820 [1,0,1,0,0,0|2,0,0]=4 649 B9R0.14 CCCN(CC)CC(=O)O 269956a_100000746405_100000210207 [1,0,1,0,0,0|2,0,0]=4 650 B9R0.14 CCCN(CC)CC(=O)[O-] 269982a_100000226822_100020667443 [1,0,1,0,0,0|2,0,0]=4 651 B9R0.14 CCN[C@H](CC)CC(=O)O 269956a_100016995926_100000210202 [1,0,1,0,0,0|2,0,0]=4 652 B9R0.17 C=CCC(CC=C)OCC 7a_100011215198_100000210202 [1,0,1,0,0,0|1,0,1]=4 653 B9R0.17 C=CCC(CCC)OCC 34a_100011215139_100000210202 [1,0,1,0,0,0|1,0,1]=4 654 B9R0.17 C=CCC(CCC)OCC 7a_100011215139_100000210202 [1,0,1,0,0,0|1,0,1]=4 655 B9R0.17 C=CCN(CC=C)CCC 2230a_100000210471_100000210303 [1,0,1,0,0,0|1,0,1]=4 656 B9R0.17 C=CCN(CC=C)CCC 269982a_100000210471_100000210303 [1,0,1,0,0,0|1,0,1]=4 657 B9R0.17 C=CCN(CCC)CCC 2230a_100000210455_100000210623 [1,0,1,0,0,0|1,0,1]=4 658 B9R0.17 C=CCN(CCC)CCC 269982a_100000210455_100000210623 [1,0,1,0,0,0|1,0,1]=4 659 B9R0.17 CCCN(CC=O)CCC 2230a_100000210455_200015260668 [1,0,1,0,0,0|1,0,1]=4 660 B9R0.17 CCCN(CC=O)CCC 269982a_100000210455_200015260668 [1,0,1,0,0,0|1,0,1]=4 661 B9R1.2 CCN1CCC=C(C1)C 2230a_100000725631_100000210202 [2,0,0,0,0,0|1,0,1]=4 662 B9R1.2 CCN1CCC=C(C1)C 269982a_100000725631_100000204670 [2,0,0,0,0,0|1,0,1]=4 663 B9R1.2 CCN1CCC=C(C1)C 34a_100000725631_100000210202 [2,0,0,0,0,0|1,0,1]=4 664 B9R1.8 CCCN1CC=CCC1 2230a_100000698166_100000210303 [2,0,0,0,0,0|1,0,1]=4 665 B9R1.8 CCCN1CC=CCC1 269982a_100000698166_100000210303 [2,0,0,0,0,0|1,0,1]=4 666 B9R1.8 CCCN1CC=CCC1 34a_100000698166_100000210303 [2,0,0,0,0,0|1,0,1]=4 667 B9R1.8 CCOC1CC=CCC1 34a_100000073881_100000210202 [2,0,0,0,0,0|1,0,1]=4 668 B9R1.8 CNCC1CC=CCC1 270004a_106832991635_100000189434 [2,0,0,0,0,0|1,0,1]=4 669 B9R1.8 COCC1CC=CCC1 34a_100000210713_200000210301 [2,0,0,0,0,0|1,0,1]=4 670 B9R1.8 [13CH3]OCC1CC=CCC1 34a_100000210713_200025704644 [2,0,0,0,0,0|1,0,1]=4 671 B11R0.1 C=C(C)CC(=O)CC(C)CCC 1458a_100000748435_100000748629 [0,1,1,0,0,0|0,0,1]=3 672 B11R0.1 C=C(C)CC(=O)CC(C)SCC 1458a_200011311441_100000748629 [0,1,1,0,0,0|1,0,1]=4 673 B11R0.1 C=C(F)CC(=O)CC(C)CCC 1458a_100000748435_100009893438 [0,1,1,0,0,0|0,0,2]=4 674 B11R0.1 CC(=CC(=O)N[C@H](C)CCO)C 240690a_100000706166_100000211388 [0,1,1,0,0,0|2,0,0]=4 675 B11R0.1 CC(=CC(=O)N[C@H](C)CCO)Cl 240690a_100000706166_200042562850 [0,1,1,0,0,0|2,0,0]=4 676 B11R0.1 CC(C)CC(C)NC(=O)C=CBr 1626a_100000692259_100016273825 [0,1,1,0,0,0|2,0,0]=4 677 B11R0.1 CC(C)CC(C)NC(=O)C=CBr 240690a_100000692259_100016273825 [0,1,1,0,0,0|2,0,0]=4 678 B11R0.1 CC(C)CC(C)NC(=O)C=CCl 11a_100000692259_200016279998 [0,1,1,0,0,0|2,0,0]=4 679 B11R0.1 CC(C)CC(C)NC(=O)C=CCl 1626a_100000692259_200016279998 [0,1,1,0,0,0|2,0,0]=4 680 B11R0.1 CC(C)CC(C)NC(=O)C=CCl 240690a_100000692259_200016279998 [0,1,1,0,0,0|2,0,0]=4 681 B11R0.1 CC(C)CC(C)NC(=O)C=CI 1626a_100000692259_100016256311 [0,1,1,0,0,0|2,0,0]=4 682 B11R0.1 CC=CC(=O)NC(C)CC(C)C 11a_100000692259_100000210699 [0,1,1,0,0,0|1,0,0]=3 683 B11R0.1 CC=CC(=O)NC(C)CC(C)C 1626a_100000692259_100000210699 [0,1,1,0,0,0|1,0,0]=3 684 B11R0.1 CC=CC(=O)NC(C)CC(C)C 240690a_100000692259_100000210699 [0,1,1,0,0,0|1,0,0]=3 685 B11R0.1 CC=CC(=O)NC(C)CN(C)C 11a_100016992788_100000210699 [0,1,1,0,0,0|2,0,0]=4 686 B11R0.1 CC=CC(=O)NC(C)CN(C)C 240690a_100016992788_100000210699 [0,1,1,0,0,0|2,0,0]=4 687 B11R0.1 CCCC(=O)CC(=O)C=C(C)C 1458a_100000211388_100000747444 [0,1,1,0,0,0|1,0,1]=4 688 B11R0.1 CCCC(=O)CC(=O)C=C(C)Cl 1458a_200042562850_100000747444 [0,1,1,0,0,0|1,0,1]=4 689 B11R0.1 CCCC(=O)CC(=O)C=C(C)I 1458a_100025716642_100000747444 [0,1,1,0,0,0|1,0,1]=4 690 B11R0.1 CCCC(C)CC(=O)C=C(C)C 1458a_100000211388_100011216630 [0,1,1,0,0,0|0,0,0]=2 691 B11R0.1 CCCC(C)CC(=O)C=C(C)Cl 1458a_200042562850_100011216630 [0,1,1,0,0,0|0,0,0]=2 692 B11R0.1 CCCC(C)CC(=O)C=C(C)I 1458a_100025716642_100011216630 [0,1,1,0,0,0|0,0,0]=2 693 B11R0.1 CCCC(C)CC(=O)C=C(Cl)Cl 1458a_100000137448_100011216630 [0,1,1,0,0,0|1,0,0]=3 694 B11R0.1 CCCC(C)CC(=O)CC(=O)N 1458a_100000748435_100000187820 [0,1,1,0,0,0|1,0,1]=4 695 B11R0.1 CCCC(C)CC(=O)CC(=O)N 1458a_100134613110_100011216630 [0,1,1,0,0,0|1,0,1]=4 696 B11R0.1 CCCC(C)CC(=O)CC(=O)[O-] 1458a_100000748435_100020667443 [0,1,1,0,0,0|1,0,1]=4 697 B11R0.1 CCCC(C)CC(=O)CC(C)C 1458a_100000210554_100011216630 [0,1,1,0,0,0|0,0,2]=4 698 B11R0.1 CCCC(C)CC(=O)CC(C)C 1458a_100000748435_100000210624 [0,1,1,0,0,0|0,0,2]=4 699 B11R0.1 CCCC(C)CC(=O)CC(C)O 1458a_100000748435_100011218427 [0,1,1,0,0,0|0,0,2]=4 700 B11R0.1 CCCC(C)CC(=O)CN(C)C 1458a_100000750896_100011216630 [0,1,1,0,0,0|1,0,1]=4 701 B11R0.1 CCCC(C)CC(=O)C[C@@H](C)O 1458a_100011933948_100011216630 [0,1,1,0,0,0|0,0,2]=4 702 B11R0.1 CCCC(C)CC(=O)C[S+](C)C 1458a_200159257847_100011216630 [0,1,1,0,0,0|1,0,1]=4 703 B11R0.1 CCCC(C)CC(=O)NC(C)C 11a_100138425928_100000748435 [0,1,1,0,0,0|1,0,1]=4 704 B11R0.1 CCCC(C)CC(=O)NC(C)C 1626a_100138425928_100000748435 [0,1,1,0,0,0|1,0,1]=4 705 B11R0.1 CCCC(C)CC(=O)NC(C)C 240690a_100138425928_100000748435 [0,1,1,0,0,0|1,0,1]=4 706 B11R0.1 CCCC(C)CC(=O)NC(C)C 527a_100138425928_100000748435 [0,1,1,0,0,0|1,0,1]=4 707 B11R0.1 CCCC(C)CN(C)CC(=O)N 2230a_100000739694_100011216630 [0,1,1,0,0,0|1,0,1]=4 708 B11R0.1 CCCC(C)CN(C)CC(=O)N 270004a_100000739694_100000243154 [0,1,1,0,0,0|1,0,1]=4 709 B11R0.1 CCCC(C)CN(C)CC(=O)O 269956a_100000746989_100011216630 [0,1,1,0,0,0|1,0,1]=4 710 B11R0.1 CCCC(C)NC(=O)C=C(C)C 11a_100000741246_100000211388 [0,1,1,0,0,0|1,0,0]=3 711 B11R0.1 CCCC(C)NC(=O)C=C(C)C 1626a_100000741246_100000211388 [0,1,1,0,0,0|1,0,0]=3 712 B11R0.1 CCCC(C)NC(=O)C=C(C)C 240690a_100000741246_100000211388 [0,1,1,0,0,0|1,0,0]=3 713 B11R0.1 CCCC(C)NC(=O)C=C(C)Cl 11a_100000741246_200042562850 [0,1,1,0,0,0|1,0,0]=3 714 B11R0.1 CCCC(C)NC(=O)C=C(C)Cl 1626a_100000741246_200042562850 [0,1,1,0,0,0|1,0,0]=3 715 B11R0.1 CCCC(C)NC(=O)C=C(C)Cl 240690a_100000741246_200042562850 [0,1,1,0,0,0|1,0,0]=3 716 B11R0.1 CCCC(C)NC(=O)C=C(C)I 11a_100000741246_100025716642 [0,1,1,0,0,0|1,0,0]=3 717 B11R0.1 CCCC(C)NC(=O)C=C(C)I 1626a_100000741246_100025716642 [0,1,1,0,0,0|1,0,0]=3 718 B11R0.1 CCCC(C)NC(=O)C=C(Cl)Cl 1626a_100000741246_100000137448 [0,1,1,0,0,0|2,0,0]=4 719 B11R0.1 CCCC(C)NC(=O)C=C(Cl)Cl 240690a_100000741246_100000137448 [0,1,1,0,0,0|2,0,0]=4 720 B11R0.1 CCCN(C)CC(=O)NC(=O)C 269982a_100000747261_100000183797 [0,1,1,0,0,0|2,0,0]=4 721 B11R0.1 COC[C@@H](C)NC(=O)C=C(C)C 11a_100000764878_100000211388 [0,1,1,0,0,0|2,0,0]=4 722 B11R0.1 COC[C@@H](C)NC(=O)C=C(C)C 1626a_100000764878_100000211388 [0,1,1,0,0,0|2,0,0]=4 723 B11R0.1 COC[C@@H](C)NC(=O)C=C(C)C 240690a_100000764878_100000211388 [0,1,1,0,0,0|2,0,0]=4 724 B11R0.1 COC[C@@H](C)NC(=O)C=C(C)Cl 11a_100000764878_200042562850 [0,1,1,0,0,0|2,0,0]=4 725 B11R0.1 COC[C@@H](C)NC(=O)C=C(C)Cl 1626a_100000764878_200042562850 [0,1,1,0,0,0|2,0,0]=4 726 B11R0.1 COC[C@@H](C)NC(=O)C=C(C)Cl 240690a_100000764878_200042562850 [0,1,1,0,0,0|2,0,0]=4 727 B11R0.1 COC[C@@H](C)NC(=O)C=C(C)I 11a_100000764878_100025716642 [0,1,1,0,0,0|2,0,0]=4 728 B11R0.1 COC[C@@H](C)NC(=O)C=C(C)I 1626a_100000764878_100025716642 [0,1,1,0,0,0|2,0,0]=4 729 B11R0.5 C/C=C/CC(=O)C=C(C)CCC 1458a_100020676950_100102629194 [0,1,1,0,0,0|0,0,2]=4 730 B11R0.5 C/C=C/CC(=O)CC(C)CCC 1458a_100000748435_100102629194 [0,1,1,0,0,0|0,0,0]=2 731 B11R0.5 C/C=C/CC(=O)CC(C)SCC 1458a_200011311441_100102629194 [0,1,1,0,0,0|1,0,0]=3 732 B11R0.5 C/C=C/CC(=O)CS(=O)CCC 1458a_100011387404_100102629194 [0,1,1,0,0,0|2,0,0]=4 733 B11R0.5 C=C(CCC)CC(=O)C/C=C/C 1458a_100000138376_100102629194 [0,1,1,0,0,0|0,0,2]=4 734 B11R0.5 C=C(CCC)CC(=O)CC=CC 1458a_100000138376_100000070051 [0,1,1,0,0,0|0,0,2]=4 735 B11R0.5 C=CC=CC(=O)CC(C)CCC 1458a_100016291481_100011216630 [0,1,1,0,0,0|0,0,1]=3 736 B11R0.5 C=CC=CC(=O)NC(C)CCC 1626a_100000741246_100016291481 [0,1,1,0,0,0|1,0,1]=4 737 B11R0.5 C=CCCC(=O)CC(C)CCC 1458a_100000748435_100000754431 [0,1,1,0,0,0|0,0,2]=4 738 B11R0.5 C=CCCC(=O)CC(C)CCC 1458a_100000749702_100011216630 [0,1,1,0,0,0|0,0,2]=4 739 B11R0.5 C=CCNC(=O)CC(C)CCC 1626a_100020586998_100000748435 [0,1,1,0,0,0|0,0,2]=4 740 B11R0.5 C=CCNC(=O)CC(C)CCC 240690a_100020586998_100000748435 [0,1,1,0,0,0|0,0,2]=4 741 B11R0.5 C=CCNC(=O)CC(C)CCC 527a_100020586998_100000748435 [0,1,1,0,0,0|0,0,2]=4 742 B11R0.5 CC#CCC(=O)CC(C)CCC 1458a_100000748435_100000748600 [0,1,1,0,0,0|0,0,2]=4 743 B11R0.5 CC=CC(=O)CC(=O)NCCC 1458a_100000210699_100000183358 [0,1,1,0,0,0|1,0,1]=4 744 B11R0.5 CC=CC(=O)CC(=O)OCCC 1458a_100000210699_200011215008 [0,1,1,0,0,0|1,0,1]=4 745 B11R0.5 CC=CC(=O)NC(C)CCCC 11a_100000126638_100000210699 [0,1,1,0,0,0|1,0,0]=3 746 B11R0.5 CC=CC(=O)NC(C)CCCC 1626a_100000126638_100000210699 [0,1,1,0,0,0|1,0,0]=3 747 B11R0.5 CC=CC(=O)NC(C)CCCC 240690a_100000126638_100000210699 [0,1,1,0,0,0|1,0,0]=3 748 B11R0.5 CC=CCC(=O)C=C(C)CCC 1458a_100020676950_100000070051 [0,1,1,0,0,0|0,0,2]=4 749 B11R0.5 CC=CCC(=O)CC(=O)CCC 1458a_100121576822_100000747444 [0,1,1,0,0,0|1,0,1]=4 750 B11R0.5 CC=CCC(=O)CC(C)CCC 1458a_100000748435_100000070051 [0,1,1,0,0,0|0,0,0]=2 751 B11R0.5 CC=CCC(=O)CC(C)CCC 1458a_100121576822_100011216630 [0,1,1,0,0,0|0,0,0]=2 752 B11R0.5 CC=CCC(=O)CC(C)SCC 1458a_200011311441_100000070051 [0,1,1,0,0,0|1,0,0]=3 753 B11R0.5 CC=CCC(=O)CS(=O)CCC 1458a_100011387404_100000070051 [0,1,1,0,0,0|2,0,0]=4 754 B11R0.5 CC=CCC(=O)NC(C)CCC 11a_100000741246_100121576822 [0,1,1,0,0,0|1,0,0]=3 755 B11R0.5 CC=CCC(=O)NC(C)CCC 1626a_100000741246_100121576822 [0,1,1,0,0,0|1,0,0]=3 756 B11R0.5 CC=CCC(=O)NC(C)CCC 240690a_100000741246_100121576822 [0,1,1,0,0,0|1,0,0]=3 757 B11R0.5 CC=CCC(=O)NC(C)CCC 527a_100000741246_100121576822 [0,1,1,0,0,0|1,0,0]=3 758 B11R0.5 CC=CCC(=O)N[C@H](C)CCO 240690a_100000706166_100121576822 [0,1,1,0,0,0|2,0,0]=4 759 B11R0.5 CC=CCC(=O)N[C@H](C)CCO 527a_100000706166_100121576822 [0,1,1,0,0,0|2,0,0]=4 760 B11R0.5 CC=CCC(=O)N[C@H](C)COC 11a_100000764878_100121576822 [0,1,1,0,0,0|2,0,0]=4 761 B11R0.5 CC=CCC(=O)N[C@H](C)COC 1626a_100000764878_100121576822 [0,1,1,0,0,0|2,0,0]=4 762 B11R0.5 CC=CCC(=O)N[C@H](C)COC 240690a_100000764878_100121576822 [0,1,1,0,0,0|2,0,0]=4 763 B11R0.5 CC=CCC(=O)N[C@H](C)COC 527a_100000764878_100121576822 [0,1,1,0,0,0|2,0,0]=4 764 B11R0.5 CCC#CC(=O)CC(C)CCC 1458a_100011827653_100011216630 [0,1,1,0,0,0|0,0,2]=4 765 B11R0.5 CCC=CC(=O)CC(=O)CCC 1458a_100000212282_100000747444 [0,1,1,0,0,0|1,0,1]=4 766 B11R0.5 CCC=CC(=O)CC(C)CCC 1458a_100000212282_100011216630 [0,1,1,0,0,0|0,0,0]=2 767 B11R0.5 CCC=CC(=O)NC(C)CCC 11a_100000741246_100000212282 [0,1,1,0,0,0|1,0,0]=3 768 B11R0.5 CCC=CC(=O)NC(C)CCC 1626a_100000741246_100000212282 [0,1,1,0,0,0|1,0,0]=3 769 B11R0.5 CCC=CC(=O)NC(C)CCC 240690a_100000741246_100000212282 [0,1,1,0,0,0|1,0,0]=3 770 B11R0.5 CCC=CC(=O)N[C@H](C)CCO 240690a_100000706166_100000212282 [0,1,1,0,0,0|2,0,0]=4 771 B11R0.5 CCC=CC(=O)N[C@H](C)COC 11a_100000764878_100000212282 [0,1,1,0,0,0|2,0,0]=4 772 B11R0.5 CCC=CC(=O)N[C@H](C)COC 1626a_100000764878_100000212282 [0,1,1,0,0,0|2,0,0]=4 773 B11R0.5 CCC=CC(=O)N[C@H](C)COC 240690a_100000764878_100000212282 [0,1,1,0,0,0|2,0,0]=4 774 B11R0.5 CCCC(=O)CC(=O)C=COC 1458a_100016268678_100000747444 [0,1,1,0,0,0|1,0,1]=4 775 B11R0.5 CCCC(C)CC(=O)C#CCO 1458a_100000049017_100011216630 [0,1,1,0,0,0|0,0,2]=4 776 B11R0.5 CCCC(C)CC(=O)C=COC 1458a_100016268678_100011216630 [0,1,1,0,0,0|0,0,0]=2 777 B11R0.5 CCCC(C)CC(=O)CCCF 1458a_100000748435_100011934791 [0,1,1,0,0,0|0,0,2]=4 778 B11R0.5 CCCC(C)CC(=O)CCCO 1458a_100000748435_100011215043 [0,1,1,0,0,0|0,0,2]=4 779 B11R0.5 CCCC(C)CC(=O)CCOC 1458a_100000748435_100000233755 [0,1,1,0,0,0|0,0,2]=4 780 B11R0.5 CCCC(C)CC(=O)CCOC 1458a_100000749529_100011216630 [0,1,1,0,0,0|0,0,2]=4 781 B11R0.5 CCCC(C)CC(=O)CCSC 1458a_100000174002_100011216630 [0,1,1,0,0,0|0,0,2]=4 782 B11R0.5 CCCC(C)CC(=O)CCSC 1458a_100000748435_100000751147 [0,1,1,0,0,0|0,0,2]=4 783 B11R0.5 CCCC(C)CC(=O)COCC 1458a_100000211967_100011216630 [0,1,1,0,0,0|0,0,2]=4 784 B11R0.5 CCCC(C)CC(=O)CSCC 1458a_100000230394_100011216630 [0,1,1,0,0,0|0,0,2]=4 785 B11R0.5 CCCC(C)CC(=O)NCCF 11a_100000724931_100000748435 [0,1,1,0,0,0|1,0,1]=4 786 B11R0.5 CCCC(C)CC(=O)NCCF 1626a_100000724931_100000748435 [0,1,1,0,0,0|1,0,1]=4 787 B11R0.5 CCCC(C)CC(=O)NCCF 240690a_100000724931_100000748435 [0,1,1,0,0,0|1,0,1]=4 788 B11R0.5 CCCC(C)CC(=O)NCCF 527a_100000724931_100000748435 [0,1,1,0,0,0|1,0,1]=4 789 B11R0.5 CCCC(C)CC(=O)NCCO 240690a_100000210304_100000748435 [0,1,1,0,0,0|1,0,1]=4 790 B11R0.5 CCCC(C)CC(=O)NCCO 527a_100000210304_100000748435 [0,1,1,0,0,0|1,0,1]=4 791 B11R0.5 CCCC(C)CC(=O)NNCC 22a_100000756455_100000748435 [0,1,1,0,0,0|1,0,1]=4 792 B11R0.5 CCCC(C)NC(=O)C=COC 1626a_100000741246_100016268678 [0,1,1,0,0,0|1,0,0]=3 793 B11R0.5 CCCC(C)NC(=O)C=COC 240690a_100000741246_100016268678 [0,1,1,0,0,0|1,0,0]=3 794 B11R0.5 CCCCC(=O)CC(C)CCC 1458a_100000210183_100011216630 [0,1,1,0,0,0|0,0,2]=4 795 B11R0.5 CCCCC(=O)CC(C)CCC 1458a_100000748435_100000210211 [0,1,1,0,0,0|0,0,2]=4 796 B11R0.5 CCCCC(C)NC(=O)C=CBr 1626a_100000126638_100016273825 [0,1,1,0,0,0|2,0,0]=4 797 B11R0.5 CCCCC(C)NC(=O)C=CBr 240690a_100000126638_100016273825 [0,1,1,0,0,0|2,0,0]=4 798 B11R0.5 CCCCC(C)NC(=O)C=CCl 11a_100000126638_200016279998 [0,1,1,0,0,0|2,0,0]=4 799 B11R0.5 CCCCC(C)NC(=O)C=CCl 1626a_100000126638_200016279998 [0,1,1,0,0,0|2,0,0]=4 800 B11R0.5 CCCCC(C)NC(=O)C=CCl 240690a_100000126638_200016279998 [0,1,1,0,0,0|2,0,0]=4 801 B11R0.5 CCCCC(C)NC(=O)C=CI 1626a_100000126638_100016256311 [0,1,1,0,0,0|2,0,0]=4 802 B11R0.5 CCCNC(=O)CC(C)CCC 11a_100020643023_100000748435 [0,1,1,0,0,0|0,0,2]=4 803 B11R0.5 CCCNC(=O)CC(C)CCC 1626a_100020643023_100000748435 [0,1,1,0,0,0|0,0,2]=4 804 B11R0.5 CCCNC(=O)CC(C)CCC 240690a_100020643023_100000748435 [0,1,1,0,0,0|0,0,2]=4 805 B11R0.5 CCCNC(=O)CC(C)CCC 527a_100020643023_100000748435 [0,1,1,0,0,0|0,0,2]=4 806 B11R0.5 CCCO[C@H](C)CC(=O)OCC 7a_100009816390_100000210303 [0,1,1,0,0,0|1,0,1]=4 807 B11R0.5 CCCSC(C)CC(=O)OCC 62a_100000210303_100009817359 [0,1,1,0,0,0|1,0,1]=4 808 B11R0.5 CCCSC(C)CC(=O)OCC 62a_100009817359_100000210303 [0,1,1,0,0,0|1,0,1]=4 809 B11R0.5 COC=CC(=O)N[C@H](C)CCO 240690a_100000706166_100016268678 [0,1,1,0,0,0|2,0,0]=4 810 B11R0.5 COC=CC(=O)N[C@H](C)COC 1626a_100000764878_100016268678 [0,1,1,0,0,0|2,0,0]=4 811 B11R0.5 COC=CC(=O)N[C@H](C)COC 240690a_100000764878_100016268678 [0,1,1,0,0,0|2,0,0]=4 812 B11R0.177 CC=CC(=O)N(C)C(C)CCO 240690a_100000731037_100000210699 [0,1,1,0,0,0|2,0,0]=4 813 B11R0.182 CC=CC(=O)NC(CC)CCC 11a_100000747048_100000210699 [0,1,1,0,0,0|1,0,0]=3 814 B11R0.182 CC=CC(=O)NC(CC)CCC 1626a_100000747048_100000210699 [0,1,1,0,0,0|1,0,0]=3 815 B11R0.182 CC=CC(=O)NC(CC)CCC 240690a_100000747048_100000210699 [0,1,1,0,0,0|1,0,0]=3 816 B11R0.182 CC=CC(=O)NC(CC)COC 11a_100000757820_100000210699 [0,1,1,0,0,0|2,0,0]=4 817 B11R0.182 CC=CC(=O)NC(CC)COC 1626a_100000757820_100000210699 [0,1,1,0,0,0|2,0,0]=4 818 B11R0.182 CC=CC(=O)NC(CC)COC 240690a_100000757820_100000210699 [0,1,1,0,0,0|2,0,0]=4 819 B11R0.182 CC=CC(=O)NC(CO)COC 240690a_100000724102_100000210699 [0,1,1,0,0,0|2,0,0]=4 820 B11R0.182 CC=CC(=O)N[C@H](CO)CCC 240690a_100000732646_100000210699 [0,1,1,0,0,0|1,0,0]=3 821 B11R0.182 CCCC(CC(=O)OCC)OC 7a_100011216533_200000210301 [0,1,1,0,0,0|1,0,1]=4 822 B11R0.182 CCCC(CC(=O)OCC)O[13CH3] 7a_100011216533_200025704644 [0,1,1,0,0,0|1,0,1]=4 823 B11R0.182 CCCC(CC)NC(=O)C=CBr 1626a_100000747048_100016273825 [0,1,1,0,0,0|2,0,0]=4 824 B11R0.182 CCCC(CC)NC(=O)C=CBr 240690a_100000747048_100016273825 [0,1,1,0,0,0|2,0,0]=4 825 B11R0.182 CCCC(CC)NC(=O)C=CCl 11a_100000747048_200016279998 [0,1,1,0,0,0|2,0,0]=4 826 B11R0.182 CCCC(CC)NC(=O)C=CCl 1626a_100000747048_200016279998 [0,1,1,0,0,0|2,0,0]=4 827 B11R0.182 CCCC(CC)NC(=O)C=CCl 240690a_100000747048_200016279998 [0,1,1,0,0,0|2,0,0]=4 828 B11R0.182 CCCC(CC)NC(=O)C=CI 1626a_100000747048_100016256311 [0,1,1,0,0,0|2,0,0]=4 829 B11R0.182 CCC[C@@H](CO)NC(=O)C=CBr 240690a_100000732646_100016273825 [0,1,1,0,0,0|2,0,0]=4 830 B11R0.182 CCC[C@@H](CO)NC(=O)C=CCl 240690a_100000732646_200016279998 [0,1,1,0,0,0|2,0,0]=4 831 B11R0.187 C/C=C(\C)/C(=O)CC(=O)CCC 1458a_100020587367_100000747444 [0,1,1,0,0,0|1,0,1]=4 832 B11R0.187 C/C=C(\C)/C(=O)CC(C)CCC 1458a_100020587367_100011216630 [0,1,1,0,0,0|0,0,0]=2 833 B11R0.187 C/C=C(\C)/C(=O)NC(C)CCC 11a_100000741246_100020587367 [0,1,1,0,0,0|1,0,0]=3 834 B11R0.187 C/C=C(\C)/C(=O)NC(C)CCC 1626a_100000741246_100020587367 [0,1,1,0,0,0|1,0,0]=3 835 B11R0.187 C/C=C(\C)/C(=O)N[C@H](C)COC 11a_100000764878_100020587367 [0,1,1,0,0,0|2,0,0]=4 836 B11R0.187 C/C=C(\C)/C(=O)N[C@H](C)COC 1626a_100000764878_100020587367 [0,1,1,0,0,0|2,0,0]=4 837 B11R0.187 C=CC(C)C(=O)CC(C)CCC 1458a_100011216780_100011216630 [0,1,1,0,0,0|0,0,2]=4 838 B11R0.187 CCCC(C)CC(=O)C(=O)NC 1458a_100011218921_100011216630 [0,1,1,0,0,0|1,0,0]=3 839 B11R0.187 CCCC(C)CC(=O)C(C)CC 1458a_100000748435_100000758301 [0,1,1,0,0,0|0,0,2]=4 840 B11R0.187 CCCC(C)CC(=O)C(C)CC 1458a_100011192722_100011216630 [0,1,1,0,0,0|0,0,2]=4 841 B11R0.187 CCCC(C)CC(=O)C(C)OC 1458a_100000743197_100011216630 [0,1,1,0,0,0|1,0,1]=4 842 B11R0.187 CCCC(C)CC(=O)C(C)SC 1458a_100000149566_100011216630 [0,1,1,0,0,0|1,0,1]=4 843 B11R0.187 CCCC(C)CC(=O)C(O)CC 1458a_100011196387_100011216630 [0,1,1,0,0,0|0,0,2]=4 844 B11R0.187 CCCC(C)CC(=O)N(C)CC 11a_100000225621_100000748435 [0,1,1,0,0,0|1,0,1]=4 845 B11R0.187 CCCC(C)CC(=O)N(C)CC 1626a_100000225621_100000748435 [0,1,1,0,0,0|1,0,1]=4 846 B11R0.187 CCCC(C)CC(=O)N(C)CC 240690a_100000225621_100000748435 [0,1,1,0,0,0|1,0,1]=4 847 B11R0.187 CCCC(C)CC(=O)N(C)CC 527a_100000225621_100000748435 [0,1,1,0,0,0|1,0,1]=4 848 B11R0.187 CCCC(C)NC(=O)C(=O)NC 1626a_100000741246_100011218921 [0,1,1,0,0,0|2,0,0]=4 849 B11R0.187 CCCC(C)NC(=O)C(=O)NC 240690a_100000741246_100011218921 [0,1,1,0,0,0|2,0,0]=4 850 B11R0.187 CCCC(C)NC(=O)C(=O)NC 527a_100000741246_100011218921 [0,1,1,0,0,0|2,0,0]=4 851 B11R0.187 CCCC(C)NC(=O)C(=O)OC 11a_100000741246_100000024059 [0,1,1,0,0,0|2,0,0]=4 852 B11R0.187 CCCC(C)NC(=O)C(=O)OC 1626a_100000741246_100000024059 [0,1,1,0,0,0|2,0,0]=4 853 B11R0.187 CCCC(C)NC(=O)C(=O)OC 240690a_100000741246_100000024059 [0,1,1,0,0,0|2,0,0]=4 854 B11R0.187 CCCC(C)NC(=O)C(=O)OC 527a_100000741246_100000024059 [0,1,1,0,0,0|2,0,0]=4 855 B11R0.353 C=CCC(=O)CC(C)(O)CCC 1458a_100011667670_100000210623 [0,1,1,0,0,0|0,0,2]=4 856 B11R0.353 CC=CC(=O)C[Si](C)(C)OCC 1458a_100000210699_200000065227 [0,1,1,0,0,0|1,1,0]=4 857 B11R0.353 CC=CC(=O)NC(C)(C)CCO 240690a_100000763138_100000210699 [0,1,1,0,0,0|2,0,0]=4 858 B11R0.353 CC=CC(=O)NC(C)(C)COC 11a_100000752728_100000210699 [0,1,1,0,0,0|2,0,0]=4 859 B11R0.353 CC=CC(=O)NC(C)(C)COC 1626a_100000752728_100000210699 [0,1,1,0,0,0|2,0,0]=4 860 B11R0.353 CC=CC(=O)NC(C)(C)COC 240690a_100000752728_100000210699 [0,1,1,0,0,0|2,0,0]=4 861 B11R0.353 CC=CC(=O)NC(C)(C)CSC 11a_100000759623_100000210699 [0,1,1,0,0,0|2,0,0]=4 862 B11R0.353 CC=CC(=O)NC(C)(C)CSC 1626a_100000759623_100000210699 [0,1,1,0,0,0|2,0,0]=4 863 B11R0.353 CC=CC(=O)NC(C)(C)CSC 240690a_100000759623_100000210699 [0,1,1,0,0,0|2,0,0]=4 864 B11R0.353 CCCC(=O)CC(C)(O)CCC 1458a_100011667670_100000210303 [0,1,1,0,0,0|0,0,2]=4 865 B11R0.353 CCCC(C)(O)CC(=O)NCC 240690a_100015525214_100011667670 [0,1,1,0,0,0|1,0,1]=4 866 B11R0.353 CCCC(C)(O)CC(=O)NCC 527a_100015525214_100011667670 [0,1,1,0,0,0|1,0,1]=4 867 B11R0.353 CCCC(C)(O)CC(=O)NNC 22a_100016993582_100011667670 [0,1,1,0,0,0|2,0,0]=4 868 B11R0.2 C#CCCCCC(=O)C=C(C)C 1458a_100000211388_100010269958 [0,1,1,0,0,0|0,0,1]=3 869 B11R0.2 C#CCCCCC(=O)C=C(C)Cl 1458a_200042562850_100010269958 [0,1,1,0,0,0|1,0,1]=4 870 B11R0.2 C#CCCCCC(=O)C=C(C)I 1458a_100025716642_100010269958 [0,1,1,0,0,0|1,0,1]=4 871 B11R0.2 C#CCCCNC(=O)C=C(C)C 11a_100000718082_100000211388 [0,1,1,0,0,0|0,0,2]=4 872 B11R0.2 C#CCCCNC(=O)C=C(C)C 1626a_100000718082_100000211388 [0,1,1,0,0,0|0,0,2]=4 873 B11R0.2 C#CCCCNC(=O)C=C(C)C 240690a_100000718082_100000211388 [0,1,1,0,0,0|0,0,2]=4 874 B11R0.2 C#CCOCCC(=O)C=C(C)C 1458a_100000211388_100010402529 [0,1,1,0,0,0|0,0,2]=4 875 B11R0.2 C=C(C)CC(=O)CCCCCC 1458a_100102632555_100000748629 [0,1,1,0,0,0|0,0,2]=4 876 B11R0.2 C=C(C)CC(=O)CCCCCO 1458a_100102619762_100000748629 [0,1,1,0,0,0|0,0,2]=4 877 B11R0.2 C=C(C)CC(=O)COCCCC 1458a_100000757543_100000748629 [0,1,1,0,0,0|0,0,2]=4 878 B11R0.2 C=C(C)CC(=O)CSCCCC 1458a_100000191162_100000748629 [0,1,1,0,0,0|0,0,2]=4 879 B11R0.2 C=CCCCCC(=O)C=C(C)C 1458a_100000211388_100011215482 [0,1,1,0,0,0|0,0,1]=3 880 B11R0.2 C=CCCCCC(=O)C=C(C)Cl 1458a_200042562850_100011215482 [0,1,1,0,0,0|1,0,1]=4 881 B11R0.2 C=CCCCCC(=O)C=C(C)I 1458a_100025716642_100011215482 [0,1,1,0,0,0|1,0,1]=4 882 B11R0.2 C=CCCCNC(=O)C=C(C)C 11a_100000700776_100000211388 [0,1,1,0,0,0|0,0,2]=4 883 B11R0.2 C=CCCCNC(=O)C=C(C)C 1626a_100000700776_100000211388 [0,1,1,0,0,0|0,0,2]=4 884 B11R0.2 C=CCCCNC(=O)C=C(C)C 240690a_100000700776_100000211388 [0,1,1,0,0,0|0,0,2]=4 885 B11R0.2 CC(=CC(=O)CCCCC#N)C 1458a_100000211388_100000211819 [0,1,1,0,0,0|0,0,1]=3 886 B11R0.2 CC(=CC(=O)CCCCC#N)Cl 1458a_200042562850_100000211819 [0,1,1,0,0,0|1,0,1]=4 887 B11R0.2 CC(=CC(=O)CCCCC#N)I 1458a_100025716642_100000211819 [0,1,1,0,0,0|1,0,1]=4 888 B11R0.2 CC(=CC(=O)CCCCCF)C 1458a_100000211388_100000729378 [0,1,1,0,0,0|0,0,0]=2 889 B11R0.2 CC(=CC(=O)CCCCCF)Cl 1458a_200042562850_100000729378 [0,1,1,0,0,0|1,0,0]=3 890 B11R0.2 CC(=CC(=O)CCCCCF)I 1458a_100025716642_100000729378 [0,1,1,0,0,0|1,0,0]=3 891 B11R0.2 CC(=CC(=O)CCCCCO)C 1458a_100000211388_100000746330 [0,1,1,0,0,0|0,0,0]=2 892 B11R0.2 CC(=CC(=O)CCCCCO)Cl 1458a_200042562850_100000746330 [0,1,1,0,0,0|1,0,0]=3 893 B11R0.2 CC(=CC(=O)CCCCCO)I 1458a_100025716642_100000746330 [0,1,1,0,0,0|1,0,0]=3 894 B11R0.2 CC(=CC(=O)CCOCC#N)C 1458a_100000211388_200000047693 [0,1,1,0,0,0|1,0,1]=4 895 B11R0.2 CC(=CC(=O)CCOCCO)C 1458a_100000211388_100011215305 [0,1,1,0,0,0|1,0,0]=3 896 B11R0.2 CC(=CC(=O)CCOCCO)Cl 1458a_200042562850_100011215305 [0,1,1,0,0,0|2,0,0]=4 897 B11R0.2 CC(=CC(=O)CCOCCO)I 1458a_100025716642_100011215305 [0,1,1,0,0,0|2,0,0]=4 898 B11R0.2 CC(=CC(=O)NCCCCO)C 240690a_100000750430_100000211388 [0,1,1,0,0,0|1,0,0]=3 899 B11R0.2 CC(=CC(=O)NCCCCO)Cl 240690a_100000750430_200042562850 [0,1,1,0,0,0|2,0,0]=4 900 B11R0.2 CC(C)CC(=O)CCCCCF 1458a_100000210554_100000729378 [0,1,1,0,0,0|0,0,2]=4 901 B11R0.2 CC(C)CC(=O)CCCCCO 1458a_100000210554_100000746330 [0,1,1,0,0,0|0,0,2]=4 902 B11R0.2 CC(C)CC(=O)CCCCCO 1458a_100102619762_100000210624 [0,1,1,0,0,0|0,0,2]=4 903 B11R0.2 CC(C)NC(=O)CCCCCO 240690a_100138425928_100102619762 [0,1,1,0,0,0|1,0,1]=4 904 B11R0.2 CC/C=C\CCC(=O)C=C(C)C 1458a_100000211388_100015370543 [0,1,1,0,0,0|0,0,1]=3 905 B11R0.2 CC/C=C\CCC(=O)C=C(C)Cl 1458a_200042562850_100015370543 [0,1,1,0,0,0|1,0,1]=4 906 B11R0.2 CC/C=C\CCC(=O)C=C(C)I 1458a_100025716642_100015370543 [0,1,1,0,0,0|1,0,1]=4 907 B11R0.2 CCCCCCC(=O)C=C(C)C 1458a_100000211388_100000210757 [0,1,1,0,0,0|0,0,0]=2 908 B11R0.2 CCCCCCC(=O)C=C(C)Cl 1458a_200042562850_100000210757 [0,1,1,0,0,0|1,0,0]=3 909 B11R0.2 CCCCCCC(=O)C=C(C)I 1458a_100025716642_100000210757 [0,1,1,0,0,0|1,0,0]=3 910 B11R0.2 CCCCCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000210757 [0,1,1,0,0,0|2,0,0]=4 911 B11R0.2 CCCCCCC(=O)CC(C)C 1458a_100000210554_100000210757 [0,1,1,0,0,0|0,0,2]=4 912 B11R0.2 CCCCCCC(=O)CC(C)C 1458a_100102632555_100000210624 [0,1,1,0,0,0|0,0,2]=4 913 B11R0.2 CCCCCCC(=O)CN(C)C 1458a_100000750896_100000210757 [0,1,1,0,0,0|1,0,1]=4 914 B11R0.2 CCCCCCC(=O)C[S+](C)C 1458a_200159257847_100000210757 [0,1,1,0,0,0|1,0,1]=4 915 B11R0.2 CCCCCCC(=O)NC(C)C 11a_100138425928_100102632555 [0,1,1,0,0,0|1,0,1]=4 916 B11R0.2 CCCCCCC(=O)NC(C)C 1626a_100138425928_100102632555 [0,1,1,0,0,0|1,0,1]=4 917 B11R0.2 CCCCCCC(=O)NC(C)C 240690a_100138425928_100102632555 [0,1,1,0,0,0|1,0,1]=4 918 B11R0.2 CCCCCCC(=O)NC(C)C 527a_100138425928_100102632555 [0,1,1,0,0,0|1,0,1]=4 919 B11R0.2 CCCCCCC(C)NC(=O)C 11a_100000210919_100015343762 [0,1,1,0,0,0|1,0,1]=4 920 B11R0.2 CCCCCCC(C)NC(=O)C 1626a_100000210919_100015343762 [0,1,1,0,0,0|1,0,1]=4 921 B11R0.2 CCCCCCC(C)NC(=O)C 240690a_100000210919_100015343762 [0,1,1,0,0,0|1,0,1]=4 922 B11R0.2 CCCCCCC(C)NC(=O)C 527a_100000210919_100103153847 [0,1,1,0,0,0|1,0,1]=4 923 B11R0.2 CCCCCNC(=O)C=C(C)C 11a_100000209983_100000211388 [0,1,1,0,0,0|0,0,0]=2 924 B11R0.2 CCCCCNC(=O)C=C(C)C 1626a_100000209983_100000211388 [0,1,1,0,0,0|0,0,0]=2 925 B11R0.2 CCCCCNC(=O)C=C(C)C 240690a_100000209983_100000211388 [0,1,1,0,0,0|0,0,0]=2 926 B11R0.2 CCCCCNC(=O)C=C(C)Cl 11a_100000209983_200042562850 [0,1,1,0,0,0|1,0,0]=3 927 B11R0.2 CCCCCNC(=O)C=C(C)Cl 1626a_100000209983_200042562850 [0,1,1,0,0,0|1,0,0]=3 928 B11R0.2 CCCCCNC(=O)C=C(C)Cl 240690a_100000209983_200042562850 [0,1,1,0,0,0|1,0,0]=3 929 B11R0.2 CCCCCNC(=O)C=C(C)I 11a_100000209983_100025716642 [0,1,1,0,0,0|1,0,0]=3 930 B11R0.2 CCCCCNC(=O)C=C(C)I 1626a_100000209983_100025716642 [0,1,1,0,0,0|1,0,0]=3 931 B11R0.2 CCCCCNC(=O)C=C(Cl)Cl 1626a_100000209983_100000137448 [0,1,1,0,0,0|2,0,0]=4 932 B11R0.2 CCCCCNC(=O)C=C(Cl)Cl 240690a_100000209983_100000137448 [0,1,1,0,0,0|2,0,0]=4 933 B11R0.2 CCCCCNC(=O)CC(=O)C 1458a_100000070787_100000230301 [0,1,1,0,0,0|1,0,1]=4 934 B11R0.2 CCCCCNC(=O)CC(C)C 11a_100000209983_100000210554 [0,1,1,0,0,0|0,0,2]=4 935 B11R0.2 CCCCCNC(=O)CC(C)C 1626a_100000209983_100000210554 [0,1,1,0,0,0|0,0,2]=4 936 B11R0.2 CCCCCNC(=O)CC(C)C 240690a_100000209983_100000210554 [0,1,1,0,0,0|0,0,2]=4 937 B11R0.2 CCCCCNC(=O)CC(C)C 527a_100000209983_100000210554 [0,1,1,0,0,0|0,0,2]=4 938 B11R0.2 CCCCCNC(=O)CN(C)C 11a_100000209983_100000750896 [0,1,1,0,0,0|1,0,1]=4 939 B11R0.2 CCCCCNC(=O)CN(C)C 2230a_100102631434_100000230301 [0,1,1,0,0,0|1,0,1]=4 940 B11R0.2 CCCCCNC(=O)CN(C)C 240690a_100000209983_100000750896 [0,1,1,0,0,0|1,0,1]=4 941 B11R0.2 CCCCCNC(=O)CN(C)C 269982a_100102631434_100000230301 [0,1,1,0,0,0|1,0,1]=4 942 B11R0.2 CCCCCNC(=O)CN(C)C 527a_100000209983_100000750896 [0,1,1,0,0,0|1,0,1]=4 943 B11R0.2 CCCCCNC(=O)C[S+](C)C 11a_100000209983_200159257847 [0,1,1,0,0,0|1,0,1]=4 944 B11R0.2 CCCCCNC(=O)C[S+](C)C 1626a_100000209983_200159257847 [0,1,1,0,0,0|1,0,1]=4 945 B11R0.2 CCCCCNC(=O)C[S+](C)C 240690a_100000209983_200159257847 [0,1,1,0,0,0|1,0,1]=4 946 B11R0.2 CCCCCNC(=O)C[S+](C)C 527a_100000209983_200159257847 [0,1,1,0,0,0|1,0,1]=4 947 B11R0.2 CCCCCNC(=O)NC(C)C 2708a_100000209983_100138425928 [0,1,1,0,0,0|1,0,1]=4 948 B11R0.2 CCCCCNC(=O)NC(C)C 2708a_100138425928_100000209983 [0,1,1,0,0,0|1,0,1]=4 949 B11R0.2 CCCCCNC(=O)NC(C)C 273464a_100138425928_100000209983 [0,1,1,0,0,0|1,0,1]=4 950 B11R0.2 CCCCCNC(=O)NC(C)C 512a_100000209983_100138425928 [0,1,1,0,0,0|1,0,1]=4 951 B11R0.2 CCCCCNC(=O)NC(C)C 512a_100138425928_100000209983 [0,1,1,0,0,0|1,0,1]=4 952 B11R0.2 CCCCCOC(C)C=C(C)C 34a_100000717055_100000718602 [0,1,1,0,0,0|1,0,1]=4 953 B11R0.2 CCCCCSC(C)OC(=O)C 62a_100000210326_100009818208 [0,1,1,0,0,0|1,0,1]=4 954 B11R0.2 CCCCCSC(C)OC(=O)C 62a_100009818208_100000210326 [0,1,1,0,0,0|1,0,1]=4 955 B11R0.2 CCCCNCC(=O)NC(=O)C 7a_106832991798_100000183797 [0,1,1,0,0,0|2,0,0]=4 956 B11R0.2 CCCCNCC(=O)NC(C)C 2230a_100000102301_100000183996 [0,1,1,0,0,0|1,0,1]=4 957 B11R0.2 CCCCNCC(=O)NC(C)C 2230a_100000168517_100000210211 [0,1,1,0,0,0|1,0,1]=4 958 B11R0.2 CCCCNCC(=O)NC(C)C 7a_106832991798_100000183996 [0,1,1,0,0,0|1,0,1]=4 959 B11R0.2 CCCCNCC(=O)OC(C)C 2230a_100000102301_100011215430 [0,1,1,0,0,0|1,0,1]=4 960 B11R0.2 CCCCNCC(=O)OC(C)C 7a_106832991798_100011215430 [0,1,1,0,0,0|1,0,1]=4 961 B11R0.2 CCCCNNC(=O)C=C(C)C 22a_100025702795_100000211388 [0,1,1,0,0,0|1,0,0]=3 962 B11R0.2 CCCCNNC(=O)C=C(C)Cl 22a_100025702795_200042562850 [0,1,1,0,0,0|2,0,0]=4 963 B11R0.2 CCCCOCC(=O)C=C(C)C 1458a_100000211388_100011995733 [0,1,1,0,0,0|0,0,0]=2 964 B11R0.2 CCCCOCC(=O)C=C(C)Cl 1458a_200042562850_100011995733 [0,1,1,0,0,0|1,0,0]=3 965 B11R0.2 CCCCOCC(=O)C=C(C)I 1458a_100025716642_100011995733 [0,1,1,0,0,0|1,0,0]=3 966 B11R0.2 CCCCOCC(=O)C=C(Cl)Cl 1458a_100000137448_100011995733 [0,1,1,0,0,0|2,0,0]=4 967 B11R0.2 CCCCOCC(=O)CC(C)C 1458a_100000210554_100011995733 [0,1,1,0,0,0|0,0,2]=4 968 B11R0.2 CCCCOCC(=O)CC(C)C 1458a_100000757543_100000210624 [0,1,1,0,0,0|0,0,2]=4 969 B11R0.2 CCCCOCC(=O)CN(C)C 1458a_100000750896_100011995733 [0,1,1,0,0,0|1,0,1]=4 970 B11R0.2 CCCCOCC(=O)C[S+](C)C 1458a_200159257847_100011995733 [0,1,1,0,0,0|1,0,1]=4 971 B11R0.2 CCCCOCC(=O)NC(=O)C 7a_100000210227_100000183797 [0,1,1,0,0,0|2,0,0]=4 972 B11R0.2 CCCCOCC(=O)NC(C)C 11a_100138425928_100000757543 [0,1,1,0,0,0|1,0,1]=4 973 B11R0.2 CCCCOCC(=O)NC(C)C 1626a_100138425928_100000757543 [0,1,1,0,0,0|1,0,1]=4 974 B11R0.2 CCCCOCC(=O)NC(C)C 240690a_100138425928_100000757543 [0,1,1,0,0,0|1,0,1]=4 975 B11R0.2 CCCCOCC(=O)NC(C)C 34a_100000210227_100000183996 [0,1,1,0,0,0|1,0,1]=4 976 B11R0.2 CCCCOCC(=O)NC(C)C 527a_100138425928_100000757543 [0,1,1,0,0,0|1,0,1]=4 977 B11R0.2 CCCCOCC(=O)NC(C)C 7a_100000210227_100000183996 [0,1,1,0,0,0|1,0,1]=4 978 B11R0.2 CCCCOCC(=O)OC(C)C 34a_100000210227_100011215430 [0,1,1,0,0,0|1,0,1]=4 979 B11R0.2 CCCCOCC(=O)OC(C)C 7a_100000210227_100011215430 [0,1,1,0,0,0|1,0,1]=4 980 B11R0.2 CCCCSCC(=O)CC(C)C 1458a_100000191162_100000210624 [0,1,1,0,0,0|0,0,2]=4 981 B11R0.2 CCCCSCC(=O)NC(=O)C 62a_100000210211_100000183797 [0,1,1,0,0,0|2,0,0]=4 982 B11R0.2 CCCCSCC(=O)NC(C)C 11a_100138425928_100000191162 [0,1,1,0,0,0|1,0,1]=4 983 B11R0.2 CCCCSCC(=O)NC(C)C 1626a_100138425928_100000191162 [0,1,1,0,0,0|1,0,1]=4 984 B11R0.2 CCCCSCC(=O)NC(C)C 240690a_100138425928_100000191162 [0,1,1,0,0,0|1,0,1]=4 985 B11R0.2 CCCCSCC(=O)NC(C)C 527a_100138425928_100000191162 [0,1,1,0,0,0|1,0,1]=4 986 B11R0.2 CCCCSCC(=O)NC(C)C 62a_100000183996_100000210210 [0,1,1,0,0,0|1,0,1]=4 987 B11R0.2 CCCCSCC(=O)NC(C)C 62a_100000210211_100000183996 [0,1,1,0,0,0|1,0,1]=4 988 B11R0.2 CCCCSCC(=O)OC(C)C 62a_100000210211_100011215430 [0,1,1,0,0,0|1,0,1]=4 989 B11R0.2 CCCCSCC(=O)OC(C)C 62a_100011215430_100000210210 [0,1,1,0,0,0|1,0,1]=4 990 B11R0.2 CCCOCCC(=O)C=C(C)C 1458a_100000211388_100011215938 [0,1,1,0,0,0|0,0,0]=2 991 B11R0.2 CCCOCCC(=O)C=C(C)Cl 1458a_200042562850_100011215938 [0,1,1,0,0,0|1,0,0]=3 992 B11R0.2 CCCOCCC(=O)C=C(C)I 1458a_100025716642_100011215938 [0,1,1,0,0,0|1,0,0]=3 993 B11R0.2 CCCOCCC(=O)C=C(Cl)Cl 1458a_100000137448_100011215938 [0,1,1,0,0,0|2,0,0]=4 994 B11R0.2 CCCOCCC(=O)CC(C)C 1458a_100000210554_100011215938 [0,1,1,0,0,0|0,0,2]=4 995 B11R0.2 CCCOCCC(=O)CN(C)C 1458a_100000750896_100011215938 [0,1,1,0,0,0|1,0,1]=4 996 B11R0.2 CCCOCCC(=O)C[S+](C)C 1458a_200159257847_100011215938 [0,1,1,0,0,0|1,0,1]=4 997 B11R0.2 CCCSCCC(=O)NC(C)C 62a_100000210303_100000737564 [0,1,1,0,0,0|1,0,1]=4 998 B11R0.2 CCCSCCC(=O)NC(C)C 62a_100000737564_100000210303 [0,1,1,0,0,0|1,0,1]=4 999 B11R0.2 CCCSCCC(=O)OC(C)C 62a_100000210303_100000760027 [0,1,1,0,0,0|1,0,1]=4 1000 B11R0.2 CCCSCCC(=O)OC(C)C 62a_100000760027_100000210303 [0,1,1,0,0,0|1,0,1]=4 1001 B11R0.2 CCOCCCC(=O)C=C(C)C 1458a_100000211388_100012232248 [0,1,1,0,0,0|0,0,0]=2 1002 B11R0.2 CCOCCCC(=O)C=C(C)Cl 1458a_200042562850_100012232248 [0,1,1,0,0,0|1,0,0]=3 1003 B11R0.2 CCOCCCC(=O)C=C(C)I 1458a_100025716642_100012232248 [0,1,1,0,0,0|1,0,0]=3 1004 B11R0.2 CCOCCCC(=O)C=C(Cl)Cl 1458a_100000137448_100012232248 [0,1,1,0,0,0|2,0,0]=4 1005 B11R0.2 CCOCCCC(=O)CC(C)C 1458a_100000210554_100012232248 [0,1,1,0,0,0|0,0,2]=4 1006 B11R0.2 CCOCCCC(=O)CN(C)C 1458a_100000750896_100012232248 [0,1,1,0,0,0|1,0,1]=4 1007 B11R0.2 CCOCCCC(=O)C[S+](C)C 1458a_200159257847_100012232248 [0,1,1,0,0,0|1,0,1]=4 1008 B11R0.2 CCOCCNC(=O)C=C(C)C 11a_100011200944_100000211388 [0,1,1,0,0,0|1,0,0]=3 1009 B11R0.2 CCOCCNC(=O)C=C(C)C 1626a_102516460346_100000211388 [0,1,1,0,0,0|1,0,0]=3 1010 B11R0.2 CCOCCNC(=O)C=C(C)C 240690a_100011200944_100000211388 [0,1,1,0,0,0|1,0,0]=3 1011 B11R0.2 CCOCCNC(=O)C=C(C)Cl 11a_100011200944_200042562850 [0,1,1,0,0,0|2,0,0]=4 1012 B11R0.2 CCOCCNC(=O)C=C(C)Cl 1626a_102516460346_200042562850 [0,1,1,0,0,0|2,0,0]=4 1013 B11R0.2 CCOCCNC(=O)C=C(C)Cl 240690a_100011200944_200042562850 [0,1,1,0,0,0|2,0,0]=4 1014 B11R0.2 CCOCCNC(=O)C=C(C)I 11a_100011200944_100025716642 [0,1,1,0,0,0|2,0,0]=4 1015 B11R0.2 CCOCCNC(=O)C=C(C)I 1626a_102516460346_100025716642 [0,1,1,0,0,0|2,0,0]=4 1016 B11R0.2 CCSCCNC(=O)C=C(C)C 11a_100000106463_100000211388 [0,1,1,0,0,0|1,0,0]=3 1017 B11R0.2 CCSCCNC(=O)C=C(C)C 1626a_100000106463_100000211388 [0,1,1,0,0,0|1,0,0]=3 1018 B11R0.2 CCSCCNC(=O)C=C(C)C 240690a_100000106463_100000211388 [0,1,1,0,0,0|1,0,0]=3 1019 B11R0.2 CCSCCNC(=O)C=C(C)Cl 11a_100000106463_200042562850 [0,1,1,0,0,0|2,0,0]=4 1020 B11R0.2 CCSCCNC(=O)C=C(C)Cl 1626a_100000106463_200042562850 [0,1,1,0,0,0|2,0,0]=4 1021 B11R0.2 CCSCCNC(=O)C=C(C)Cl 240690a_100000106463_200042562850 [0,1,1,0,0,0|2,0,0]=4 1022 B11R0.2 CCSCCNC(=O)C=C(C)I 11a_100000106463_100025716642 [0,1,1,0,0,0|2,0,0]=4 1023 B11R0.2 CCSCCNC(=O)C=C(C)I 1626a_100000106463_100025716642 [0,1,1,0,0,0|2,0,0]=4 1024 B11R0.2 CN(C)CC(=O)CCCCCF 1458a_100000750896_100000729378 [0,1,1,0,0,0|1,0,1]=4 1025 B11R0.2 CN(C)CC(=O)CCCCCO 1458a_100000750896_100000746330 [0,1,1,0,0,0|1,0,1]=4 1026 B11R0.2 COCCCCC(=O)C=C(C)C 1458a_100000211388_100000755781 [0,1,1,0,0,0|0,0,0]=2 1027 B11R0.2 COCCCCC(=O)C=C(C)Cl 1458a_200042562850_100000755781 [0,1,1,0,0,0|1,0,0]=3 1028 B11R0.2 COCCCCC(=O)C=C(C)I 1458a_100025716642_100000755781 [0,1,1,0,0,0|1,0,0]=3 1029 B11R0.2 COCCCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000755781 [0,1,1,0,0,0|2,0,0]=4 1030 B11R0.2 COCCCCC(=O)CC(C)C 1458a_100000210554_100000755781 [0,1,1,0,0,0|0,0,2]=4 1031 B11R0.2 COCCCCC(=O)CN(C)C 1458a_100000750896_100000755781 [0,1,1,0,0,0|1,0,1]=4 1032 B11R0.2 COCCCCC(=O)C[S+](C)C 1458a_200159257847_100000755781 [0,1,1,0,0,0|1,0,1]=4 1033 B11R0.2 COCCCNC(=O)C=C(C)C 1626a_100150723488_100000211388 [0,1,1,0,0,0|1,0,0]=3 1034 B11R0.2 COCCCNC(=O)C=C(C)C 240690a_100150723488_100000211388 [0,1,1,0,0,0|1,0,0]=3 1035 B11R0.2 COCCCNC(=O)C=C(C)Cl 1626a_100150723488_200042562850 [0,1,1,0,0,0|2,0,0]=4 1036 B11R0.2 COCCCNC(=O)C=C(C)Cl 240690a_100150723488_200042562850 [0,1,1,0,0,0|2,0,0]=4 1037 B11R0.2 COCCCNC(=O)C=C(C)I 1626a_100150723488_100025716642 [0,1,1,0,0,0|2,0,0]=4 1038 B11R0.2 COCCNNC(=O)C=C(C)C 22a_100000741390_100000211388 [0,1,1,0,0,0|2,0,0]=4 1039 B11R0.2 CSCCCNC(=O)C=C(C)C 11a_100000749238_100000211388 [0,1,1,0,0,0|1,0,0]=3 1040 B11R0.2 CSCCCNC(=O)C=C(C)C 1626a_100000749238_100000211388 [0,1,1,0,0,0|1,0,0]=3 1041 B11R0.2 CSCCCNC(=O)C=C(C)C 240690a_100000749238_100000211388 [0,1,1,0,0,0|1,0,0]=3 1042 B11R0.2 CSCCCNC(=O)C=C(C)Cl 11a_100000749238_200042562850 [0,1,1,0,0,0|2,0,0]=4 1043 B11R0.2 CSCCCNC(=O)C=C(C)Cl 1626a_100000749238_200042562850 [0,1,1,0,0,0|2,0,0]=4 1044 B11R0.2 CSCCCNC(=O)C=C(C)Cl 240690a_100000749238_200042562850 [0,1,1,0,0,0|2,0,0]=4 1045 B11R0.2 CSCCCNC(=O)C=C(C)I 11a_100000749238_100025716642 [0,1,1,0,0,0|2,0,0]=4 1046 B11R0.2 CSCCCNC(=O)C=C(C)I 1626a_100000749238_100025716642 [0,1,1,0,0,0|2,0,0]=4 1047 B11R0.2 C[S+](C)CC(=O)CCCCCF 1458a_200159257847_100000729378 [0,1,1,0,0,0|1,0,1]=4 1048 B11R0.2 C[S+](C)CC(=O)CCCCCO 1458a_200159257847_100000746330 [0,1,1,0,0,0|1,0,1]=4 1049 B11R0.2 O=C(C=C(Cl)Cl)CCCCCF 1458a_100000137448_100000729378 [0,1,1,0,0,0|2,0,0]=4 1050 B11R0.2 O=C(C=C(Cl)Cl)CCCCCO 1458a_100000137448_100000746330 [0,1,1,0,0,0|2,0,0]=4 1051 B11R0.6 C=C(C)CC(=O)CCCC(C)C 1458a_100011216857_100000748629 [0,1,1,0,0,0|0,0,2]=4 1052 B11R0.6 CC(=CC(=O)CCCC(=O)N)C 1458a_100000211388_100102525003 [0,1,1,0,0,0|1,0,1]=4 1053 B11R0.6 CC(=CC(=O)CCCC(C)C)C 1458a_100000211388_100011214892 [0,1,1,0,0,0|0,0,0]=2 1054 B11R0.6 CC(=CC(=O)CCCC(C)C)Cl 1458a_200042562850_100011214892 [0,1,1,0,0,0|1,0,0]=3 1055 B11R0.6 CC(=CC(=O)CCCC(C)C)I 1458a_100025716642_100011214892 [0,1,1,0,0,0|1,0,0]=3 1056 B11R0.6 CC(=CC(=O)CCCC(C)O)C 1458a_100000211388_200000718107 [0,1,1,0,0,0|0,0,0]=2 1057 B11R0.6 CC(=CC(=O)CCCC(C)O)Cl 1458a_200042562850_200000718107 [0,1,1,0,0,0|1,0,0]=3 1058 B11R0.6 CC(=CC(=O)CCCC(C)O)I 1458a_100025716642_200000718107 [0,1,1,0,0,0|1,0,0]=3 1059 B11R0.6 CC(=CC(=O)CCCN(C)C)C 1458a_100000211388_100000695564 [0,1,1,0,0,0|1,0,0]=3 1060 B11R0.6 CC(=CC(=O)CCCN(C)C)Cl 1458a_200042562850_100000695564 [0,1,1,0,0,0|2,0,0]=4 1061 B11R0.6 CC(=CC(=O)CCCN(C)C)I 1458a_100025716642_100000695564 [0,1,1,0,0,0|2,0,0]=4 1062 B11R0.6 CC(=CC(=O)CCOC(C)C)C 1458a_100000211388_100000211751 [0,1,1,0,0,0|1,0,0]=3 1063 B11R0.6 CC(=CC(=O)CCOC(C)C)Cl 1458a_200042562850_100000211751 [0,1,1,0,0,0|2,0,0]=4 1064 B11R0.6 CC(=CC(=O)CCOC(C)C)I 1458a_100025716642_100000211751 [0,1,1,0,0,0|2,0,0]=4 1065 B11R0.6 CC(=CC(=O)CCSC(C)C)C 1458a_100000211388_100000730970 [0,1,1,0,0,0|1,0,0]=3 1066 B11R0.6 CC(=CC(=O)CCSC(C)C)Cl 1458a_200042562850_100000730970 [0,1,1,0,0,0|2,0,0]=4 1067 B11R0.6 CC(=CC(=O)CCSC(C)C)I 1458a_100025716642_100000730970 [0,1,1,0,0,0|2,0,0]=4 1068 B11R0.6 CC(=CC(=O)NCCC(C)C)C 11a_100000210545_100000211388 [0,1,1,0,0,0|1,0,0]=3 1069 B11R0.6 CC(=CC(=O)NCCC(C)C)C 1626a_100000210545_100000211388 [0,1,1,0,0,0|1,0,0]=3 1070 B11R0.6 CC(=CC(=O)NCCC(C)C)C 240690a_100000210545_100000211388 [0,1,1,0,0,0|1,0,0]=3 1071 B11R0.6 CC(=CC(=O)NCCC(C)C)Cl 11a_100000210545_200042562850 [0,1,1,0,0,0|2,0,0]=4 1072 B11R0.6 CC(=CC(=O)NCCC(C)C)Cl 1626a_100000210545_200042562850 [0,1,1,0,0,0|2,0,0]=4 1073 B11R0.6 CC(=CC(=O)NCCC(C)C)Cl 240690a_100000210545_200042562850 [0,1,1,0,0,0|2,0,0]=4 1074 B11R0.6 CC(=CC(=O)NCCC(C)C)I 11a_100000210545_100025716642 [0,1,1,0,0,0|2,0,0]=4 1075 B11R0.6 CC(=CC(=O)NCCC(C)C)I 1626a_100000210545_100025716642 [0,1,1,0,0,0|2,0,0]=4 1076 B11R0.6 CC(=CC(=O)NCCC(C)O)C 240690a_200000755665_100000211388 [0,1,1,0,0,0|1,0,0]=3 1077 B11R0.6 CC(=CC(=O)NCCC(C)O)Cl 240690a_200000755665_200042562850 [0,1,1,0,0,0|2,0,0]=4 1078 B11R0.6 CC(=CC(=O)NCCN(C)C)C 240690a_100000210585_100000211388 [0,1,1,0,0,0|2,0,0]=4 1079 B11R0.6 CC(=CC(=O)NNCC(C)C)C 22a_100000696102_100000211388 [0,1,1,0,0,0|2,0,0]=4 1080 B11R0.6 CC(=CC(=O)NNCC(C)O)C 22a_200000730056_100000211388 [0,1,1,0,0,0|2,0,0]=4 1081 B11R0.6 CC(=CCCC(=CC(=O)[13CH3])C)C 1458a_100016995320_200025704644 [0,1,1,0,0,0|0,0,2]=4 1082 B11R0.6 CC(=CCCC(=O)C=C(C)C)C 1458a_100000211388_100011217483 [0,1,1,0,0,0|0,0,2]=4 1083 B11R0.6 CC(=O)C=C(C)CCC=C(C)C 1458a_100016995320_200000210301 [0,1,1,0,0,0|0,0,2]=4 1084 B11R0.6 CC(=O)CCCC(=O)C=C(C)C 1458a_100000211388_100011215641 [0,1,1,0,0,0|0,0,1]=3 1085 B11R0.6 CC(=O)CCCC(=O)C=C(C)Cl 1458a_200042562850_100011215641 [0,1,1,0,0,0|1,0,1]=4 1086 B11R0.6 CC(=O)CCCC(=O)C=C(C)I 1458a_100025716642_100011215641 [0,1,1,0,0,0|1,0,1]=4 1087 B11R0.6 CC(=O)NC(C)CCCC(C)C 11a_100000210607_100015343762 [0,1,1,0,0,0|1,0,1]=4 1088 B11R0.6 CC(=O)NC(C)CCCC(C)C 1626a_100000210607_100015343762 [0,1,1,0,0,0|1,0,1]=4 1089 B11R0.6 CC(=O)NC(C)CCCC(C)C 240690a_100000210607_100015343762 [0,1,1,0,0,0|1,0,1]=4 1090 B11R0.6 CC(=O)NC(C)CCCC(C)C 527a_100000210607_100103153847 [0,1,1,0,0,0|1,0,1]=4 1091 B11R0.6 CC(=O)NCCC(=O)C=C(C)C 1458a_100000211388_100000189650 [0,1,1,0,0,0|1,0,1]=4 1092 B11R0.6 CC(=O)OCCC(=O)C=C(C)C 1458a_100000211388_100009814007 [0,1,1,0,0,0|1,0,1]=4 1093 B11R0.6 CC(C)CC(=O)CCCC(C)O 1458a_100000210554_200000718107 [0,1,1,0,0,0|0,0,2]=4 1094 B11R0.6 CC(C)CCCC(=O)C=C(Cl)Cl 1458a_100000137448_100011214892 [0,1,1,0,0,0|2,0,0]=4 1095 B11R0.6 CC(C)CCCC(=O)CC(C)C 1458a_100000210554_100011214892 [0,1,1,0,0,0|0,0,2]=4 1096 B11R0.6 CC(C)CCCC(=O)CC(C)C 1458a_100011216857_100000210624 [0,1,1,0,0,0|0,0,2]=4 1097 B11R0.6 CC(C)CCCC(=O)CN(C)C 1458a_100000750896_100011214892 [0,1,1,0,0,0|1,0,1]=4 1098 B11R0.6 CC(C)CCCC(=O)C[S+](C)C 1458a_200159257847_100011214892 [0,1,1,0,0,0|1,0,1]=4 1099 B11R0.6 CC(C)CCCC(=O)NC(C)C 11a_100138425928_100011216857 [0,1,1,0,0,0|1,0,1]=4 1100 B11R0.6 CC(C)CCCC(=O)NC(C)C 1626a_100138425928_100011216857 [0,1,1,0,0,0|1,0,1]=4 1101 B11R0.6 CC(C)CCCC(=O)NC(C)C 240690a_100138425928_100011216857 [0,1,1,0,0,0|1,0,1]=4 1102 B11R0.6 CC(C)CCCC(=O)NC(C)C 527a_100138425928_100011216857 [0,1,1,0,0,0|1,0,1]=4 1103 B11R0.6 CC(O)CCCC(=O)C=C(Cl)Cl 1458a_100000137448_200000718107 [0,1,1,0,0,0|2,0,0]=4 1104 B11R0.6 CC(O)CCCC(=O)CN(C)C 1458a_100000750896_200000718107 [0,1,1,0,0,0|1,0,1]=4 1105 B11R0.6 CC(O)CCCC(=O)C[S+](C)C 1458a_200159257847_200000718107 [0,1,1,0,0,0|1,0,1]=4 1106 B11R0.6 CC(O)CCCC(=O)NC(C)C 1626a_100138425928_100000761597 [0,1,1,0,0,0|1,0,1]=4 1107 B11R0.6 CC(O)CCCC(=O)NC(C)C 527a_100138425928_100000761597 [0,1,1,0,0,0|1,0,1]=4 1108 B11R0.68 C=C(C)CC(=O)C(C)CCCC 1458a_100000725509_100000748629 [0,1,1,0,0,0|0,0,2]=4 1109 B11R0.68 C=C(C)CC(=O)C(O)CCCC 1458a_100000720857_100000748629 [0,1,1,0,0,0|0,0,2]=4 1110 B11R0.68 CC(=CC(=O)N(C)CCCO)C 240690a_100000213112_100000211388 [0,1,1,0,0,0|2,0,0]=4 1111 B11R0.68 CCCCC(C)C(=O)C=C(C)C 1458a_100000211388_200011215066 [0,1,1,0,0,0|0,0,0]=2 1112 B11R0.68 CCCCC(C)C(=O)C=C(C)Cl 1458a_200042562850_200011215066 [0,1,1,0,0,0|1,0,0]=3 1113 B11R0.68 CCCCC(C)C(=O)C=C(C)I 1458a_100025716642_200011215066 [0,1,1,0,0,0|1,0,0]=3 1114 B11R0.68 CCCCC(C)C(=O)C=C(Cl)Cl 1458a_100000137448_200011215066 [0,1,1,0,0,0|2,0,0]=4 1115 B11R0.68 CCCCC(C)C(=O)CC(C)C 1458a_100000210554_200011215066 [0,1,1,0,0,0|0,0,2]=4 1116 B11R0.68 CCCCC(C)C(=O)CC(C)C 1458a_100000725509_100000210624 [0,1,1,0,0,0|0,0,2]=4 1117 B11R0.68 CCCCC(C)C(=O)CN(C)C 1458a_100000750896_200011215066 [0,1,1,0,0,0|1,0,1]=4 1118 B11R0.68 CCCCC(C)C(=O)C[S+](C)C 1458a_200159257847_200011215066 [0,1,1,0,0,0|1,0,1]=4 1119 B11R0.68 CCCCC(C)C(=O)NC(C)C 11a_100138425928_100000725509 [0,1,1,0,0,0|1,0,1]=4 1120 B11R0.68 CCCCC(C)C(=O)NC(C)C 1626a_100138425928_100000725509 [0,1,1,0,0,0|1,0,1]=4 1121 B11R0.68 CCCCC(C)C(=O)NC(C)C 240690a_100138425928_100000725509 [0,1,1,0,0,0|1,0,1]=4 1122 B11R0.68 CCCCC(C)C(=O)NC(C)C 527a_100138425928_100000725509 [0,1,1,0,0,0|1,0,1]=4 1123 B11R0.68 CCCCC(O)C(=O)CC(C)C 1458a_100000720857_100000210624 [0,1,1,0,0,0|0,0,2]=4 1124 B11R0.68 CCCCC(O)C(=O)NC(C)C 240690a_100138425928_100000720857 [0,1,1,0,0,0|1,0,1]=4 1125 B11R0.68 CCCCC(O)C(=O)NC(C)C 527a_100138425928_100000720857 [0,1,1,0,0,0|1,0,1]=4 1126 B11R0.68 CCCCN(C)C(=O)C=C(C)C 11a_100000207549_100000211388 [0,1,1,0,0,0|1,0,0]=3 1127 B11R0.68 CCCCN(C)C(=O)C=C(C)C 1626a_100000207549_100000211388 [0,1,1,0,0,0|1,0,0]=3 1128 B11R0.68 CCCCN(C)C(=O)C=C(C)C 240690a_100000207549_100000211388 [0,1,1,0,0,0|1,0,0]=3 1129 B11R0.68 CCCCN(C)C(=O)C=C(C)Cl 11a_100000207549_200042562850 [0,1,1,0,0,0|2,0,0]=4 1130 B11R0.68 CCCCN(C)C(=O)C=C(C)Cl 1626a_100000207549_200042562850 [0,1,1,0,0,0|2,0,0]=4 1131 B11R0.68 CCCCN(C)C(=O)C=C(C)Cl 240690a_100000207549_200042562850 [0,1,1,0,0,0|2,0,0]=4 1132 B11R0.68 CCCCN(C)C(=O)C=C(C)I 11a_100000207549_100025716642 [0,1,1,0,0,0|2,0,0]=4 1133 B11R0.68 CCCCN(C)C(=O)C=C(C)I 1626a_100000207549_100025716642 [0,1,1,0,0,0|2,0,0]=4 1134 B11R0.68 COCCN(C)C(=O)C=C(C)C 11a_100000743101_100000211388 [0,1,1,0,0,0|2,0,0]=4 1135 B11R0.68 COCCN(C)C(=O)C=C(C)C 1626a_100000743101_100000211388 [0,1,1,0,0,0|2,0,0]=4 1136 B11R0.68 COCCN(C)C(=O)C=C(C)C 240690a_100000743101_100000211388 [0,1,1,0,0,0|2,0,0]=4 1137 B11R0.68 CSCCN(C)C(=O)C=C(C)C 11a_100000686725_100000211388 [0,1,1,0,0,0|2,0,0]=4 1138 B11R0.68 CSCCN(C)C(=O)C=C(C)C 1626a_100000686725_100000211388 [0,1,1,0,0,0|2,0,0]=4 1139 B11R0.68 CSCCN(C)C(=O)C=C(C)C 240690a_100000686725_100000211388 [0,1,1,0,0,0|2,0,0]=4 1140 B11R0.107 C=C(C)CC(=O)CCC(C)CC 1458a_100000701222_100000748629 [0,1,1,0,0,0|0,0,2]=4 1141 B11R0.107 CC(=CC(=O)NCC(C)CO)C 240690a_100000744482_100000211388 [0,1,1,0,0,0|2,0,0]=4 1142 B11R0.107 CC(=CC(=O)NC[C@@H](F)CO)C 240690a_100015665980_100000211388 [0,1,1,0,0,0|2,0,0]=4 1143 B11R0.107 CC(=CC(=O)NC[C@H](O)CO)C 240690a_100020644852_100000211388 [0,1,1,0,0,0|2,0,0]=4 1144 B11R0.107 CCC(C)CCC(=O)CC(C)C 1458a_100000701222_100000210624 [0,1,1,0,0,0|0,0,2]=4 1145 B11R0.107 CCC(C)CCC(=O)NC(C)C 11a_100138425928_100000701222 [0,1,1,0,0,0|1,0,1]=4 1146 B11R0.107 CCC(C)CCC(=O)NC(C)C 1626a_100138425928_100000701222 [0,1,1,0,0,0|1,0,1]=4 1147 B11R0.107 CCC(C)CCC(=O)NC(C)C 240690a_100138425928_100000701222 [0,1,1,0,0,0|1,0,1]=4 1148 B11R0.107 CCC(C)CCC(=O)NC(C)C 527a_100138425928_100000701222 [0,1,1,0,0,0|1,0,1]=4 1149 B11R0.107 CCC(C)CNC(=O)C=C(C)C 11a_100020588543_100000211388 [0,1,1,0,0,0|1,0,0]=3 1150 B11R0.107 CCC(C)CNC(=O)C=C(C)C 1626a_100020588543_100000211388 [0,1,1,0,0,0|1,0,0]=3 1151 B11R0.107 CCC(C)CNC(=O)C=C(C)C 240690a_100020588543_100000211388 [0,1,1,0,0,0|1,0,0]=3 1152 B11R0.107 CCC(C)CNC(=O)C=C(C)Cl 11a_100020588543_200042562850 [0,1,1,0,0,0|2,0,0]=4 1153 B11R0.107 CCC(C)CNC(=O)C=C(C)Cl 1626a_100020588543_200042562850 [0,1,1,0,0,0|2,0,0]=4 1154 B11R0.107 CCC(C)CNC(=O)C=C(C)Cl 240690a_100020588543_200042562850 [0,1,1,0,0,0|2,0,0]=4 1155 B11R0.107 CCC(C)CNC(=O)C=C(C)I 11a_100020588543_100025716642 [0,1,1,0,0,0|2,0,0]=4 1156 B11R0.107 CCC(C)CNC(=O)C=C(C)I 1626a_100020588543_100025716642 [0,1,1,0,0,0|2,0,0]=4 1157 B11R0.107 CCC(C)NNC(=O)C=C(C)C 22a_100000718999_100000211388 [0,1,1,0,0,0|2,0,0]=4 1158 B11R0.107 CCC(O)CCC(=O)NC(C)C 1626a_100138425928_203496584001 [0,1,1,0,0,0|1,0,1]=4 1159 B11R0.107 CCC(O)CCC(=O)NC(C)C 240690a_100138425928_203496584001 [0,1,1,0,0,0|1,0,1]=4 1160 B11R0.107 CCC(O)CNC(=O)C=C(C)C 11a_100011218483_100000211388 [0,1,1,0,0,0|1,0,0]=3 1161 B11R0.107 CCC(O)CNC(=O)C=C(C)C 240690a_100011218483_100000211388 [0,1,1,0,0,0|1,0,0]=3 1162 B11R0.107 CCC(O)CNC(=O)C=C(C)Cl 11a_100011218483_200042562850 [0,1,1,0,0,0|2,0,0]=4 1163 B11R0.107 CCC(O)CNC(=O)C=C(C)Cl 240690a_100011218483_200042562850 [0,1,1,0,0,0|2,0,0]=4 1164 B11R0.107 CCC(O)CNC(=O)C=C(C)I 11a_100011218483_100025716642 [0,1,1,0,0,0|2,0,0]=4 1165 B11R0.107 CO[C@H](C)CNC(=O)C=C(C)C 11a_100020591295_100000211388 [0,1,1,0,0,0|2,0,0]=4 1166 B11R0.107 CO[C@H](C)CNC(=O)C=C(C)C 1626a_100020591295_100000211388 [0,1,1,0,0,0|2,0,0]=4 1167 B11R0.107 CO[C@H](C)CNC(=O)C=C(C)C 240690a_100020591295_100000211388 [0,1,1,0,0,0|2,0,0]=4 1168 B11R0.139 C=C(C)C(=O)C(C)CCCCC 1458a_100000185857_200011218191 [0,1,1,0,0,0|1,0,1]=4 1169 B11R0.139 C=C(C)C(=O)N(C)CCCCC 11a_100000223495_100000185857 [0,1,1,0,0,0|2,0,0]=4 1170 B11R0.139 C=C(C)C(=O)N(C)CCCCC 1626a_100000223495_100000185857 [0,1,1,0,0,0|2,0,0]=4 1171 B11R0.139 CCCCCC(=O)C(=O)N(C)C 1458a_100011218876_100000210326 [0,1,1,0,0,0|1,0,0]=3 1172 B11R0.139 CCCCCC(=O)C(C)C(=O)C 1458a_100000212188_100000179758 [0,1,1,0,0,0|1,0,1]=4 1173 B11R0.139 CCCCCC(=O)C(C)C(C)C 1458a_100000755409_100000210326 [0,1,1,0,0,0|0,0,2]=4 1174 B11R0.139 CCCCCC(=O)N(C)C(C)C 11a_200000211004_100000212188 [0,1,1,0,0,0|1,0,1]=4 1175 B11R0.139 CCCCCC(=O)N(C)C(C)C 1626a_200000211004_100000212188 [0,1,1,0,0,0|1,0,1]=4 1176 B11R0.139 CCCCCC(=O)N(C)C(C)C 240690a_200000211004_100000212188 [0,1,1,0,0,0|1,0,1]=4 1177 B11R0.139 CCCCCC(=O)N(C)C(C)C 527a_200000211004_100000212188 [0,1,1,0,0,0|1,0,1]=4 1178 B11R0.139 CCCCCC(=O)[C@H](C)N(C)C 1458a_100009822176_100000210326 [0,1,1,0,0,0|1,0,1]=4 1179 B11R0.139 CCCCCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000210326 [0,1,1,0,0,0|0,0,2]=4 1180 B11R0.139 CCCCCN(C)C(=O)C(=O)N 240690a_100000223495_100011215815 [0,1,1,0,0,0|2,0,0]=4 1181 B11R0.139 CCCCCN(C)C(C)C(=O)C 2230a_100000223495_100009814033 [0,1,1,0,0,0|1,0,1]=4 1182 B11R0.139 CCCCCN(C)C(C)C(=O)C 269982a_100000223495_100009814033 [0,1,1,0,0,0|1,0,1]=4 1183 B11R0.139 CCCCNC(=O)C(=O)N(C)C 1626a_100000102301_100011218876 [0,1,1,0,0,0|2,0,0]=4 1184 B11R0.139 CCCCNC(=O)C(=O)N(C)C 240690a_100000102301_100011218876 [0,1,1,0,0,0|2,0,0]=4 1185 B11R0.139 CCCCNC(=O)C(=O)N(C)C 527a_100000102301_100011218876 [0,1,1,0,0,0|2,0,0]=4 1186 B11R0.139 CCOCCC(=O)C(=O)N(C)C 1458a_100011218876_100011215890 [0,1,1,0,0,0|2,0,0]=4 1187 B11R0.139 CCSCCC(=O)C(=O)N(C)C 1458a_100011218876_100000757381 [0,1,1,0,0,0|2,0,0]=4 1188 B11R0.139 CN(C)C(=O)C(=O)CCCCF 1458a_100011218876_100000729493 [0,1,1,0,0,0|2,0,0]=4 1189 B11R0.139 CN(C)C(=O)C(=O)CCCCO 1458a_100011218876_100000210776 [0,1,1,0,0,0|2,0,0]=4 1190 B11R0.139 COCCCC(=O)C(=O)N(C)C 1458a_100011218876_100000740836 [0,1,1,0,0,0|2,0,0]=4 1191 B11R0.154 C#CCCCC(=O)C=C(C)CC 1458a_100020758463_100000731252 [0,1,1,0,0,0|0,0,2]=4 1192 B11R0.154 C=CCCCC(=O)C=C(C)CC 1458a_100020758463_100000757094 [0,1,1,0,0,0|0,0,2]=4 1193 B11R0.154 CC/C=C\CC(=O)C=C(C)CC 1458a_100020758463_100103147603 [0,1,1,0,0,0|0,0,2]=4 1194 B11R0.154 CCC#CCC(=O)C=C(C)CC 1458a_100020758463_100009813939 [0,1,1,0,0,0|0,0,2]=4 1195 B11R0.154 CCC(=CC(=O)CCCC#N)C 1458a_100020758463_100000211468 [0,1,1,0,0,0|1,0,1]=4 1196 B11R0.154 CCC(=CC(=O)CCCCF)C 1458a_100020758463_100000729493 [0,1,1,0,0,0|1,0,0]=3 1197 B11R0.154 CCC(=CC(=O)CCCCO)C 1458a_100020758463_100000210776 [0,1,1,0,0,0|1,0,0]=3 1198 B11R0.154 CCC(=CC(=O)CCCOC)C 1458a_100020758463_100000740836 [0,1,1,0,0,0|1,0,0]=3 1199 B11R0.154 CCC(=CC(=O)NCCCF)C 11a_100015189416_100020758463 [0,1,1,0,0,0|2,0,0]=4 1200 B11R0.154 CCC(=CC(=O)NCCCF)C 1626a_100015189416_100020758463 [0,1,1,0,0,0|2,0,0]=4 1201 B11R0.154 CCC(=CC(=O)NCCCF)C 240690a_100015189416_100020758463 [0,1,1,0,0,0|2,0,0]=4 1202 B11R0.154 CCC(=CC(=O)NCCCO)C 240690a_100000182051_100020758463 [0,1,1,0,0,0|2,0,0]=4 1203 B11R0.154 CCC(=CC(=O)NCCOC)C 1626a_100000209980_100020758463 [0,1,1,0,0,0|2,0,0]=4 1204 B11R0.154 CCC(=CC(=O)NCCOC)C 240690a_100000209980_100020758463 [0,1,1,0,0,0|2,0,0]=4 1205 B11R0.154 CCC(=CC(=O)NCCSC)C 11a_100020590264_100020758463 [0,1,1,0,0,0|2,0,0]=4 1206 B11R0.154 CCC(=CC(=O)NCCSC)C 1626a_100020590264_100020758463 [0,1,1,0,0,0|2,0,0]=4 1207 B11R0.154 CCC(=CC(=O)NCCSC)C 240690a_100020590264_100020758463 [0,1,1,0,0,0|2,0,0]=4 1208 B11R0.154 CCCCCC(=O)C=C(C)CC 1458a_100020758463_100000210326 [0,1,1,0,0,0|0,0,0]=2 1209 B11R0.154 CCCCCC(=O)CC(=O)CC 1458a_100000210414_200012276598 [0,1,1,0,0,0|1,0,1]=4 1210 B11R0.154 CCCCCC(=O)CC(=O)CC 1458a_100000212188_100000747405 [0,1,1,0,0,0|1,0,1]=4 1211 B11R0.154 CCCCCC(=O)CC(=O)CO 1458a_100000210174_200012276598 [0,1,1,0,0,0|1,0,1]=4 1212 B11R0.154 CCCCCC(=O)CC(=O)NC 1458a_100000212188_100000183359 [0,1,1,0,0,0|1,0,1]=4 1213 B11R0.154 CCCCCC(=O)CC(=O)OC 1458a_100000211351_100000210326 [0,1,1,0,0,0|1,0,1]=4 1214 B11R0.154 CCCCCC(=O)CC(=O)OC 1458a_100000212188_100000747449 [0,1,1,0,0,0|1,0,1]=4 1215 B11R0.154 CCCCCC(=O)CC(C)CC 1458a_100000212188_100000748023 [0,1,1,0,0,0|0,0,2]=4 1216 B11R0.154 CCCCCC(=O)CC(C)CC 1458a_100000708755_100000210326 [0,1,1,0,0,0|0,0,2]=4 1217 B11R0.154 CCCCCC(=O)CN(C)CC 1458a_100116209913_100000210326 [0,1,1,0,0,0|1,0,1]=4 1218 B11R0.154 CCCCCC(=O)CN(C)CC 2230a_100000225621_200012276598 [0,1,1,0,0,0|1,0,1]=4 1219 B11R0.154 CCCCCC(=O)CN(C)CC 269982a_100000225621_200012276598 [0,1,1,0,0,0|1,0,1]=4 1220 B11R0.154 CCCCCC(=O)C[C@@H](C)CC 1458a_100000212188_100009816398 [0,1,1,0,0,0|0,0,2]=4 1221 B11R0.154 CCCCCC(=O)C[C@@H](C)CO 1458a_100000212188_100000059175 [0,1,1,0,0,0|0,0,2]=4 1222 B11R0.154 CCCCCC(=O)NC(C)CC 11a_100000209981_100000212188 [0,1,1,0,0,0|1,0,1]=4 1223 B11R0.154 CCCCCC(=O)NC(C)CC 1626a_100000209981_100000212188 [0,1,1,0,0,0|1,0,1]=4 1224 B11R0.154 CCCCCC(=O)NC(C)CC 240690a_100000209981_100000212188 [0,1,1,0,0,0|1,0,1]=4 1225 B11R0.154 CCCCCC(=O)NC(C)CC 527a_100000209981_100000212188 [0,1,1,0,0,0|1,0,1]=4 1226 B11R0.154 CCCCCC(=O)N[C@H](C)CF 11a_100102880703_100000212188 [0,1,1,0,0,0|1,0,1]=4 1227 B11R0.154 CCCCCC(=O)N[C@H](C)CF 1626a_100102880703_100000212188 [0,1,1,0,0,0|1,0,1]=4 1228 B11R0.154 CCCCCC(=O)N[C@H](C)CF 240690a_100102880703_100000212188 [0,1,1,0,0,0|1,0,1]=4 1229 B11R0.154 CCCCCC(=O)N[C@H](C)CF 527a_100102880703_100000212188 [0,1,1,0,0,0|1,0,1]=4 1230 B11R0.154 CCCCCC(=O)N[C@H](C)CO 240690a_100000737577_100000212188 [0,1,1,0,0,0|1,0,1]=4 1231 B11R0.154 CCCCCC(=O)N[C@H](C)CO 527a_100000737577_100000212188 [0,1,1,0,0,0|1,0,1]=4 1232 B11R0.154 CCCCCC(C)NC(=O)CC 11a_100000211957_100000210414 [0,1,1,0,0,0|1,0,1]=4 1233 B11R0.154 CCCCCC(C)NC(=O)CC 1626a_100000211957_100000210414 [0,1,1,0,0,0|1,0,1]=4 1234 B11R0.154 CCCCCC(C)NC(=O)CC 240690a_100000211957_100000210414 [0,1,1,0,0,0|1,0,1]=4 1235 B11R0.154 CCCCCC(C)NC(=O)CC 527a_100000211957_100000210414 [0,1,1,0,0,0|1,0,1]=4 1236 B11R0.154 CCCCCC(C)NC(=O)CO 240690a_100000211957_100000210174 [0,1,1,0,0,0|1,0,1]=4 1237 B11R0.154 CCCCCC(C)NC(=O)CO 527a_100000211957_100000210174 [0,1,1,0,0,0|1,0,1]=4 1238 B11R0.154 CCCCCC(C)NC(=O)NC 2708a_100000211957_106832991635 [0,1,1,0,0,0|1,0,1]=4 1239 B11R0.154 CCCCCC(C)NC(=O)NC 2708a_100102657272_100000211957 [0,1,1,0,0,0|1,0,1]=4 1240 B11R0.154 CCCCCC(C)NC(=O)NC 273464a_100000211957_100102657272 [0,1,1,0,0,0|1,0,1]=4 1241 B11R0.154 CCCCCC(C)NC(=O)NC 273464a_100102657272_100000211957 [0,1,1,0,0,0|1,0,1]=4 1242 B11R0.154 CCCCCC(C)NC(=O)NC 512a_100000211957_100102657272 [0,1,1,0,0,0|1,0,1]=4 1243 B11R0.154 CCCCCC(C)NC(=O)NC 512a_106832991638_100000211957 [0,1,1,0,0,0|1,0,1]=4 1244 B11R0.154 CCCCCN(C)CC(=O)CC 269982a_100000223495_100000747405 [0,1,1,0,0,0|1,0,1]=4 1245 B11R0.154 CCCCCN(C)CC(=O)NC 2230a_100000189611_100000210326 [0,1,1,0,0,0|1,0,1]=4 1246 B11R0.154 CCCCCN(C)CC(=O)NC 2230a_100000223495_100000183359 [0,1,1,0,0,0|1,0,1]=4 1247 B11R0.154 CCCCCN(C)CC(=O)NC 269982a_100000223495_100000183359 [0,1,1,0,0,0|1,0,1]=4 1248 B11R0.154 CCCCCN(C)CC(=O)OC 2230a_100000198492_100000210326 [0,1,1,0,0,0|1,0,1]=4 1249 B11R0.154 CCCCCN(C)CC(=O)OC 2230a_100000223495_100000747449 [0,1,1,0,0,0|1,0,1]=4 1250 B11R0.154 CCCCCN(C)CC(=O)OC 269982a_100000223495_100000747449 [0,1,1,0,0,0|1,0,1]=4 1251 B11R0.154 CCCCNC(=O)C=C(C)CC 11a_100000102301_100020758463 [0,1,1,0,0,0|1,0,0]=3 1252 B11R0.154 CCCCNC(=O)C=C(C)CC 1626a_100000102301_100020758463 [0,1,1,0,0,0|1,0,0]=3 1253 B11R0.154 CCCCNC(=O)C=C(C)CC 240690a_100000102301_100020758463 [0,1,1,0,0,0|1,0,0]=3 1254 B11R0.154 CCCNNC(=O)C=C(C)CC 22a_100000740057_100020758463 [0,1,1,0,0,0|2,0,0]=4 1255 B11R0.154 CCOCCC(=O)C=C(C)CC 1458a_100020758463_100011215890 [0,1,1,0,0,0|1,0,0]=3 1256 B11R0.154 CCSCCC(=O)C=C(C)CC 1458a_100020758463_100000757381 [0,1,1,0,0,0|1,0,0]=3 1257 B11R0.165 CCCCCC(=O)CC(C)(C)C 1458a_100000211214_100000210326 [0,1,1,0,0,0|0,0,2]=4 1258 B11R0.165 CCCCCC(=O)CC(C)(C)O 1458a_100000693243_100000210326 [0,1,1,0,0,0|0,0,2]=4 1259 B11R0.165 CCCCCC(=O)C[N+](C)(C)C 1458a_100000033712_100000210326 [0,1,1,0,0,0|1,0,1]=4 1260 B11R0.165 CCCCCC(=O)C[Si](C)(C)C 1458a_100000212188_100000233785 [0,1,1,0,0,0|0,1,1]=4 1261 B11R0.165 CCCCCC(=O)C[Si](C)(C)C 1458a_100011218504_100000210326 [0,1,1,0,0,0|0,1,1]=4 1262 B11R0.165 CCCCCC(=O)NC(C)(C)C 11a_100000715429_100000212188 [0,1,1,0,0,0|1,0,1]=4 1263 B11R0.165 CCCCCC(=O)NC(C)(C)C 1626a_100000715429_100000212188 [0,1,1,0,0,0|1,0,1]=4 1264 B11R0.165 CCCCCC(=O)NC(C)(C)C 240690a_100000715429_100000212188 [0,1,1,0,0,0|1,0,1]=4 1265 B11R0.165 CCCCCC(=O)NC(C)(C)C 527a_100000715429_100000212188 [0,1,1,0,0,0|1,0,1]=4 1266 B11R0.35 C=C(C)CN(CC=O)CC(=C)C 2230a_100012017102_200015260668 [0,1,1,0,0,0|1,0,1]=4 1267 B11R0.35 C=C(C)CN(CCC)CC(=C)C 2230a_100012017102_100000210303 [0,1,1,0,0,0|2,0,0]=4 1268 B11R0.35 C=C(C)CN(CCO)CC(=O)O 269956a_100000747938_100000748629 [0,1,1,0,0,0|2,0,0]=4 1269 B11R0.47 CCCC(CC(C)C)OCC=O 34a_100011351045_200009817547 [0,1,1,0,0,0|0,0,2]=4 1270 B11R0.47 CCCC(CC(C)C)OCC=O 7a_100011351045_200015260668 [0,1,1,0,0,0|0,0,2]=4 1271 B11R0.279 C=CC(=O)NC(CCC)CCC 1626a_100011207992_100000185746 [0,1,1,0,0,0|1,0,1]=4 1272 B11R0.279 C=CC(=O)NC(CCC)CCC 240690a_100011207992_200121576911 [0,1,1,0,0,0|1,0,1]=4 1273 B11R1.23 CCC(C)N1CCC=C(C1)C 2230a_100000725631_100000758301 [1,1,0,0,0,0|1,0,1]=4 1274 B11R1.23 CCC(C)N1CCC=C(C1)C 269982a_100000725631_100000758301 [1,1,0,0,0,0|1,0,1]=4 1275 B11R1.23 CCC(C)N1CCC=C(C1)C 34a_100000725631_100011215416 [1,1,0,0,0,0|1,0,1]=4 1276 B11R1.24 CC1=CCCN(C1)CCCF 2230a_100000725631_100011934791 [1,1,0,0,0,0|1,0,1]=4 1277 B11R1.24 CC1=CCCN(C1)CCCF 269982a_100000725631_100011934791 [1,1,0,0,0,0|1,0,1]=4 1278 B11R1.24 CC1=CCCN(C1)CCCF 34a_100000725631_100011934791 [1,1,0,0,0,0|1,0,1]=4 1279 B11R1.24 CC1=CCCN(C1)CCCO 2230a_100000725631_100000230001 [1,1,0,0,0,0|1,0,1]=4 1280 B11R1.24 CC1=CCCN(C1)CCCO 269982a_100000725631_100011215043 [1,1,0,0,0,0|1,0,1]=4 1281 B11R1.24 CC1=CCCN(C1)CCCO 34a_100000725631_100000230001 [1,1,0,0,0,0|1,0,1]=4 1282 B11R1.24 CCCCN1CCC=C(C1)C 2230a_100000725631_100000210211 [1,1,0,0,0,0|1,0,1]=4 1283 B11R1.24 CCCCN1CCC=C(C1)C 269982a_100000725631_100000210211 [1,1,0,0,0,0|1,0,1]=4 1284 B11R1.24 CCCCN1CCC=C(C1)C 34a_100000725631_100000210210 [1,1,0,0,0,0|1,0,1]=4 1285 B11R1.24 CCCNC1CCNC(=O)C1 2230a_100016994916_100000210303 [1,1,0,0,0,0|1,0,1]=4 1286 B11R1.24 CCCNC1CCNC(=O)C1 34a_100016994916_100000210303 [1,1,0,0,0,0|1,0,1]=4 1287 B11R1.24 CCCOC1CCCC(=O)C1 34a_100012613340_100000210303 [1,1,0,0,0,0|0,0,2]=4 1288 B11R1.24 CCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210303 [1,1,0,0,0,0|1,0,1]=4 1289 B11R1.24 CCOCC1CCNC(=O)C1 34a_100009886756_100000210202 [1,1,0,0,0,0|1,0,1]=4 1290 B11R1.24 CCOCN1CCC=C(C1)C 269982a_100000725631_100000739092 [1,1,0,0,0,0|1,0,1]=4 1291 B11R1.24 COCCN1CCC=C(C1)C 2230a_100000725631_100011201679 [1,1,0,0,0,0|1,0,1]=4 1292 B11R1.24 COCCN1CCC=C(C1)C 269982a_100000725631_100000233755 [1,1,0,0,0,0|1,0,1]=4 1293 B11R1.24 COCCN1CCC=C(C1)C 34a_100000725631_100011201679 [1,1,0,0,0,0|1,0,1]=4 1294 B11R1.24 CSCCN1CCC=C(C1)C 2230a_100000725631_100000751147 [1,1,0,0,0,0|1,0,1]=4 1295 B11R1.24 CSCCN1CCC=C(C1)C 269982a_100000725631_100000212216 [1,1,0,0,0,0|1,0,1]=4 1296 B11R1.24 CSCCN1CCC=C(C1)C 34a_100000725631_100000212216 [1,1,0,0,0,0|1,0,1]=4 1297 B11R1.157 CC1=CCCN(C1)CC(C)C 2230a_100000725631_100000210760 [1,1,0,0,0,0|1,0,1]=4 1298 B11R1.157 CC1=CCCN(C1)CC(C)C 269982a_100000725631_100000210624 [1,1,0,0,0,0|1,0,1]=4 1299 B11R1.157 CC1=CCCN(C1)CC(C)C 270004a_100000725631_100000210432 [1,1,0,0,0,0|1,0,1]=4 1300 B11R1.157 CC1=CCCN(C1)CC(C)C 34a_100000725631_100000210624 [1,1,0,0,0,0|1,0,1]=4 1301 B11R1.157 CC1=CCCN(C1)CC(C)O 2230a_100000725631_100011218427 [1,1,0,0,0,0|1,0,1]=4 1302 B11R1.157 CC1=CCCN(C1)CC(C)O 269982a_100000725631_100011218427 [1,1,0,0,0,0|1,0,1]=4 1303 B11R1.157 CC1=CCCN(C1)CC(C)O 34a_100000725631_100011218427 [1,1,0,0,0,0|1,0,1]=4 1304 B11R1.157 CC1=CCCN(C1)C[C@@H](C)O 2230a_100000725631_100009817552 [1,1,0,0,0,0|1,0,1]=4 1305 B11R1.157 CC1=CCCN(C1)C[C@@H](C)O 269982a_100000725631_100009817552 [1,1,0,0,0,0|1,0,1]=4 1306 B11R1.157 CC1=CCCN(C1)C[C@@H](C)O 34a_100000725631_100009817552 [1,1,0,0,0,0|1,0,1]=4 1307 B11R1.230 CCCNC1CC(=O)NC1=O 2230a_100102712934_100000210303 [0,1,0,0,1,0|2,0,0]=4 1308 B11R1.230 CCCOC1CC(OC1=O)C 34a_100000210258_200000216747 [0,1,0,0,1,0|1,0,1]=4 1309 B11R1.230 CCCSC1CC(OC1=O)C 62a_100000210303_200000216747 [0,1,0,0,1,0|1,0,1]=4 1310 B11R1.230 CCCSC1CC(OC1=O)C 62a_200000216747_100000210303 [0,1,0,0,1,0|1,0,1]=4 1311 B11R1.80 CC(C)NC1CC(=O)N(C1)C 2230a_100000748898_100000210206 [0,1,0,0,1,0|2,0,0]=4 1312 B11R1.80 CC(C)NC1CC(=O)N(C1)C 34a_100000748898_100000210206 [0,1,0,0,1,0|2,0,0]=4 1313 B11R1.187 CCN1CC(CC1=O)CNC 2230a_100011935115_200000210301 [0,1,0,0,1,0|2,0,0]=4 1314 B11R1.187 CCN1CC(CC1=O)CNC 34a_100011935115_200000210301 [0,1,0,0,1,0|2,0,0]=4 1315 B11R1.187 CCN1CC(CC1=O)CN[13CH3] 2230a_100011935115_200025704644 [0,1,0,0,1,0|2,0,0]=4 1316 B11R1.187 CCN1CC(CC1=O)CN[13CH3] 34a_100011935115_200025704644 [0,1,0,0,1,0|2,0,0]=4 1317 B11R1.187 CCN1CC(CC1=O)COC 34a_100000758270_200000210301 [0,1,0,0,1,0|2,0,0]=4 1318 B11R1.187 CCN1CC(CC1=O)COC 7a_100000758270_200000210301 [0,1,0,0,1,0|2,0,0]=4 1319 B11R1.187 CCN1CC(CC1=O)CO[13CH3] 34a_100000758270_200025704644 [0,1,0,0,1,0|2,0,0]=4 1320 B11R1.187 CCN1CC(CC1=O)CO[13CH3] 7a_100000758270_200025704644 [0,1,0,0,1,0|2,0,0]=4 1321 B11R1.187 CCNC1CC(=O)N(C1)CC 2230a_100015184948_100000210202 [0,1,0,0,1,0|2,0,0]=4 1322 B11R1.187 CCNC1CC(=O)N(C1)CC 34a_100015184948_100000210202 [0,1,0,0,1,0|2,0,0]=4 1323 B11R1.226 CCC(=O)C1CC(=O)N(C1)C 1458a_100000187535_100000210202 [0,1,0,0,1,0|1,0,1]=4 1324 B11R1.231 CCCNC1CC(=O)N(C1)C 2230a_100000748898_100000210303 [0,1,0,0,1,0|1,0,0]=3 1325 B11R1.231 CCCNC1CC(=O)N(C1)C 34a_100000748898_100000210303 [0,1,0,0,1,0|1,0,0]=3 1326 B11R1.231 CCCSC1C=C(C(=O)O1)C 62a_100000210303_200009893386 [0,1,0,0,1,0|1,0,1]=4 1327 B11R1.231 CCCSC1C=C(C(=O)O1)C 62a_200009893386_100000210303 [0,1,0,0,1,0|1,0,1]=4 1328 B11R1.231 CCOCC1CC(=O)N(C1)C 34a_100015185614_100000210202 [0,1,0,0,1,0|1,0,0]=3 1329 B11R1.231 CN1CC(CC1=O)COCF 34a_100015185614_100015361967 [0,1,0,0,1,0|2,0,0]=4 1330 B11R1.231 CN1CC(CC1=O)NCCF 2230a_100000748898_100011217306 [0,1,0,0,1,0|2,0,0]=4 1331 B11R1.231 CN1CC(CC1=O)NCCF 34a_100000748898_100011217306 [0,1,0,0,1,0|2,0,0]=4 1332 B11R1.231 CN1CC(CC1=O)NCCO 2230a_100000748898_100000211926 [0,1,0,0,1,0|2,0,0]=4 1333 B11R1.231 CN1CC(CC1=O)NCCO 34a_100000748898_100000211926 [0,1,0,0,1,0|2,0,0]=4 1334 B11R1.231 COCNC1CC(=O)N(C1)C 2230a_100000748898_100000766300 [0,1,0,0,1,0|2,0,0]=4 1335 B11R1.231 CSCNC1CC(=O)N(C1)C 2230a_100000748898_100011218213 [0,1,0,0,1,0|2,0,0]=4 1336 B11R1.231 CSCNC1CC(=O)N(C1)C 34a_100000748898_100011218213 [0,1,0,0,1,0|2,0,0]=4 1337 B13R1.450 CCCC(=O)C1CC(=O)NC(=O)C1 1458a_100000044373_100000210303 [0,2,0,0,0,0|2,0,0]=4 1338 B13R1.2874 CCC(=O)CC1CC(=O)NC(=O)C1 1458a_100000049033_100000210202 [0,2,0,0,0,0|2,0,0]=4 1339 B11R1.30 C=CCC(=O)CC1CCCC1 1458a_100000210193_100000740388 [0,0,1,1,0,0|0,0,2]=4 1340 B11R1.30 C=CCC(=O)CC1CCCC1 1458a_100000210891_100000210623 [0,0,1,1,0,0|0,0,2]=4 1341 B11R1.30 CC#CC(=O)CC1CCCC1 1458a_100000763181_100000740388 [0,0,1,1,0,0|0,0,2]=4 1342 B11R1.30 CC=CC(=O)CC1CCCC1 1458a_100000210699_100000740388 [0,0,1,1,0,0|0,0,0]=2 1343 B11R1.30 CC=CC(=O)CC1CCCO1 1458a_100000210699_100000203698 [0,0,1,1,0,0|1,0,0]=3 1344 B11R1.30 CC=CC(=O)CC1CCOC1 1458a_100000210699_100000702531 [0,0,1,1,0,0|1,0,0]=3 1345 B11R1.30 CC=CC(=O)CC1OCCO1 1458a_100000210699_100000755774 [0,0,1,1,0,0|2,0,0]=4 1346 B11R1.30 CC=CC(=O)NC1CCCC1 11a_100000211070_100000210699 [0,0,1,1,0,0|1,0,0]=3 1347 B11R1.30 CC=CC(=O)NC1CCCC1 1626a_100000211070_100000210699 [0,0,1,1,0,0|1,0,0]=3 1348 B11R1.30 CC=CC(=O)NC1CCCC1 240690a_100000211070_100000210699 [0,0,1,1,0,0|1,0,0]=3 1349 B11R1.30 CC=CC(=O)N[C@@H]1CCOC1 240690a_200015188469_100000210699 [0,0,1,1,0,0|2,0,0]=4 1350 B11R1.30 CC=CC(=O)N[C@H]1CCOC1 11a_100015188467_100000210699 [0,0,1,1,0,0|2,0,0]=4 1351 B11R1.30 CC=CC(=O)N[C@H]1CCOC1 1626a_100015188467_100000210699 [0,0,1,1,0,0|2,0,0]=4 1352 B11R1.30 CC=CC(=O)N[C@H]1CCOC1 240690a_100015188467_100000210699 [0,0,1,1,0,0|2,0,0]=4 1353 B11R1.30 CCCC(=O)CC1CCCC1 1458a_100000210891_100000210303 [0,0,1,1,0,0|0,0,2]=4 1354 B11R1.30 CCCC(=O)CC1CCCC1 1458a_100000211992_100000740388 [0,0,1,1,0,0|0,0,2]=4 1355 B11R1.30 CCNC(=O)CC1CCCC1 11a_100015525214_100000210891 [0,0,1,1,0,0|1,0,1]=4 1356 B11R1.30 CCNC(=O)CC1CCCC1 240690a_100015525214_100000210891 [0,0,1,1,0,0|1,0,1]=4 1357 B11R1.30 CCNC(=O)CC1CCCC1 527a_100015525214_100000210891 [0,0,1,1,0,0|1,0,1]=4 1358 B11R1.30 CNNC(=O)CC1CCCC1 22a_100016993582_100000210891 [0,0,1,1,0,0|2,0,0]=4 1359 B11R1.30 COCC(=O)CC1CCCC1 1458a_100000210968_100000740388 [0,0,1,1,0,0|1,0,1]=4 1360 B11R1.30 CSCC(=O)CC1CCCC1 1458a_100000184570_100000740388 [0,0,1,1,0,0|1,0,1]=4 1361 B11R1.30 O=C(C=CBr)CC1CCCC1 1458a_100016273825_100000740388 [0,0,1,1,0,0|1,0,0]=3 1362 B11R1.30 O=C(C=CBr)CC1CCCO1 1458a_100016273825_100000203698 [0,0,1,1,0,0|2,0,0]=4 1363 B11R1.30 O=C(C=CBr)CC1CCOC1 1458a_100016273825_100000702531 [0,0,1,1,0,0|2,0,0]=4 1364 B11R1.30 O=C(C=CBr)NC1CCCC1 1626a_100000211070_100016273825 [0,0,1,1,0,0|2,0,0]=4 1365 B11R1.30 O=C(C=CBr)NC1CCCC1 240690a_100000211070_100016273825 [0,0,1,1,0,0|2,0,0]=4 1366 B11R1.30 O=C(C=CCl)CC1CCCC1 1458a_200016279998_100000740388 [0,0,1,1,0,0|1,0,0]=3 1367 B11R1.30 O=C(C=CCl)CC1CCCO1 1458a_200016279998_100000203698 [0,0,1,1,0,0|2,0,0]=4 1368 B11R1.30 O=C(C=CCl)CC1CCOC1 1458a_200016279998_100000702531 [0,0,1,1,0,0|2,0,0]=4 1369 B11R1.30 O=C(C=CCl)NC1CCCC1 11a_100000211070_200016279998 [0,0,1,1,0,0|2,0,0]=4 1370 B11R1.30 O=C(C=CCl)NC1CCCC1 1626a_100000211070_200016279998 [0,0,1,1,0,0|2,0,0]=4 1371 B11R1.30 O=C(C=CCl)NC1CCCC1 240690a_100000211070_200016279998 [0,0,1,1,0,0|2,0,0]=4 1372 B11R1.30 O=C(C=CI)CC1CCCC1 1458a_100016256311_100000740388 [0,0,1,1,0,0|1,0,0]=3 1373 B11R1.30 O=C(C=CI)CC1CCCO1 1458a_100016256311_100000203698 [0,0,1,1,0,0|2,0,0]=4 1374 B11R1.30 O=C(C=CI)CC1CCOC1 1458a_100016256311_100000702531 [0,0,1,1,0,0|2,0,0]=4 1375 B11R1.30 O=C(C=CI)NC1CCCC1 1626a_100000211070_100016256311 [0,0,1,1,0,0|2,0,0]=4 1376 B11R1.199 C=CCC(=O)C1CCCC1C 1458a_100000690547_100000210623 [0,0,1,1,0,0|0,0,2]=4 1377 B11R1.199 CC=CC(=O)C1CCCC1=O 1458a_100000210699_100000211823 [0,0,1,1,0,0|1,0,1]=4 1378 B11R1.199 CC=CC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000210699 [0,0,1,1,0,0|1,0,0]=3 1379 B11R1.199 CC=CC(=O)N1CCC[C@H]1C 11a_100015189458_100000210699 [0,0,1,1,0,0|1,0,0]=3 1380 B11R1.199 CC=CC(=O)N1CCC[C@H]1C 240690a_100015189458_100000210699 [0,0,1,1,0,0|1,0,0]=3 1381 B11R1.199 CC=CC(=O)N1CCSC1C 11a_200011216479_100000210699 [0,0,1,1,0,0|2,0,0]=4 1382 B11R1.199 CC=CC(=O)N1CCSC1C 1626a_200011216479_100000210699 [0,0,1,1,0,0|2,0,0]=4 1383 B11R1.199 CC=CC(=O)N1CCSC1C 240690a_200011216479_100000210699 [0,0,1,1,0,0|2,0,0]=4 1384 B11R1.199 CCCC(=O)C1CCCC1C 1458a_100000690547_100000210303 [0,0,1,1,0,0|0,0,2]=4 1385 B11R1.199 CCNC(=O)C1CCCC1C 11a_100015525214_100000690547 [0,0,1,1,0,0|1,0,1]=4 1386 B11R1.199 CCNC(=O)C1CCCC1C 240690a_100015525214_100000690547 [0,0,1,1,0,0|1,0,1]=4 1387 B11R1.199 CCNC(=O)C1CCCC1C 527a_100015525214_100000690547 [0,0,1,1,0,0|1,0,1]=4 1388 B11R1.199 CNNC(=O)C1CCCC1C 22a_100016993582_100000690547 [0,0,1,1,0,0|2,0,0]=4 1389 B11R1.199 C[C@@H]1CCCN1C(=O)C=CBr 240690a_100015189458_100016273825 [0,0,1,1,0,0|2,0,0]=4 1390 B11R1.199 C[C@@H]1CCCN1C(=O)C=CCl 11a_100015189458_200016279998 [0,0,1,1,0,0|2,0,0]=4 1391 B11R1.199 C[C@@H]1CCCN1C(=O)C=CCl 240690a_100015189458_200016279998 [0,0,1,1,0,0|2,0,0]=4 1392 B11R1.199 C[C@H]1CCCN1C(=O)C=CBr 240690a_100020605311_100016273825 [0,0,1,1,0,0|2,0,0]=4 1393 B11R1.199 C[C@H]1CCCN1C(=O)C=CCl 240690a_100020605311_200016279998 [0,0,1,1,0,0|2,0,0]=4 1394 B11R1.201 CC=CC(=O)CC1CC(=O)C1 1458a_100000210699_100009874392 [0,0,1,1,0,0|1,0,1]=4 1395 B11R1.201 CC=CC(=O)NC1CC(C1)F 11a_100016993743_100000210699 [0,0,1,1,0,0|2,0,0]=4 1396 B11R1.201 CC=CC(=O)NC1CC(C1)F 1626a_100016993743_100000210699 [0,0,1,1,0,0|2,0,0]=4 1397 B11R1.201 CC=CC(=O)NC1CC(C1)F 240690a_100016993743_100000210699 [0,0,1,1,0,0|2,0,0]=4 1398 B11R1.201 CC=CC(=O)NC1CN(C1)C 240690a_100015196640_100000210699 [0,0,1,1,0,0|2,0,0]=4 1399 B11R1.201 CC=CC(=O)N[C@H]1C[C@@H](C1)O 11a_100020629032_100000210699 [0,0,1,1,0,0|2,0,0]=4 1400 B11R1.201 CC=CC(=O)N[C@H]1C[C@@H](C1)O 1626a_100020629032_100000210699 [0,0,1,1,0,0|2,0,0]=4 1401 B11R1.201 CC=CC(=O)N[C@H]1C[C@@H](C1)O 240690a_100020629032_100000210699 [0,0,1,1,0,0|2,0,0]=4 1402 B11R1.334 CC(NC(=O)C=CBr)C1CC1 1626a_100000700016_100016273825 [0,0,1,1,0,0|2,0,0]=4 1403 B11R1.334 CC(NC(=O)C=CBr)C1CC1 240690a_100000700016_100016273825 [0,0,1,1,0,0|2,0,0]=4 1404 B11R1.334 CC(NC(=O)C=CCl)C1CC1 11a_100000700016_200016279998 [0,0,1,1,0,0|2,0,0]=4 1405 B11R1.334 CC(NC(=O)C=CCl)C1CC1 1626a_100000700016_200016279998 [0,0,1,1,0,0|2,0,0]=4 1406 B11R1.334 CC(NC(=O)C=CCl)C1CC1 240690a_100000700016_200016279998 [0,0,1,1,0,0|2,0,0]=4 1407 B11R1.334 CC(NC(=O)C=CI)C1CC1 1626a_100000700016_100016256311 [0,0,1,1,0,0|2,0,0]=4 1408 B11R1.334 CC=CC(=O)CC(=O)C1CC1 1458a_100000210699_100000746382 [0,0,1,1,0,0|1,0,1]=4 1409 B11R1.334 CC=CC(=O)NC(C)C1CC1 11a_100000700016_100000210699 [0,0,1,1,0,0|1,0,0]=3 1410 B11R1.334 CC=CC(=O)NC(C)C1CC1 1626a_100000700016_100000210699 [0,0,1,1,0,0|1,0,0]=3 1411 B11R1.334 CC=CC(=O)NC(C)C1CC1 240690a_100000700016_100000210699 [0,0,1,1,0,0|1,0,0]=3 1412 B11R1.334 CCCC(C)CC(=O)C1CC1 1458a_100000210395_100011216630 [0,0,1,1,0,0|0,0,2]=4 1413 B11R1.334 CCCC(C)CC(=O)C1CO1 1458a_100000701028_100011216630 [0,0,1,1,0,0|1,0,1]=4 1414 B11R1.840 C=CCC(=O)CC1(CCC1)C 1458a_100000210193_100000726658 [0,0,1,1,0,0|0,0,2]=4 1415 B11R1.840 CC#CC(=O)CC1(CCC1)C 1458a_100000763181_100000726658 [0,0,1,1,0,0|0,0,2]=4 1416 B11R1.840 CC1(CCC1)CC(=O)C=CBr 1458a_100016273825_100000726658 [0,0,1,1,0,0|1,0,0]=3 1417 B11R1.840 CC1(CCC1)CC(=O)C=CCl 1458a_200016279998_100000726658 [0,0,1,1,0,0|1,0,0]=3 1418 B11R1.840 CC1(CCC1)CC(=O)C=CI 1458a_100016256311_100000726658 [0,0,1,1,0,0|1,0,0]=3 1419 B11R1.840 CC1(CCC1)NC(=O)C=CBr 1626a_100000692455_100016273825 [0,0,1,1,0,0|2,0,0]=4 1420 B11R1.840 CC1(CCC1)NC(=O)C=CBr 240690a_100000692455_100016273825 [0,0,1,1,0,0|2,0,0]=4 1421 B11R1.840 CC1(CCC1)NC(=O)C=CCl 11a_100000692455_200016279998 [0,0,1,1,0,0|2,0,0]=4 1422 B11R1.840 CC1(CCC1)NC(=O)C=CCl 1626a_100000692455_200016279998 [0,0,1,1,0,0|2,0,0]=4 1423 B11R1.840 CC1(CCC1)NC(=O)C=CCl 240690a_100000692455_200016279998 [0,0,1,1,0,0|2,0,0]=4 1424 B11R1.840 CC1(CCC1)NC(=O)C=CI 1626a_100000692455_100016256311 [0,0,1,1,0,0|2,0,0]=4 1425 B11R1.840 CC1(COC1)CC(=O)C=CBr 1458a_100016273825_100000066812 [0,0,1,1,0,0|2,0,0]=4 1426 B11R1.840 CC1(COC1)CC(=O)C=CCl 1458a_200016279998_100000066812 [0,0,1,1,0,0|2,0,0]=4 1427 B11R1.840 CC1(COC1)CC(=O)C=CI 1458a_100016256311_100000066812 [0,0,1,1,0,0|2,0,0]=4 1428 B11R1.840 CC=CC(=O)CC1(CCC1)C 1458a_100000210699_100000726658 [0,0,1,1,0,0|0,0,0]=2 1429 B11R1.840 CC=CC(=O)CC1(COC1)C 1458a_100000210699_100000066812 [0,0,1,1,0,0|1,0,0]=3 1430 B11R1.840 CC=CC(=O)NC1(CCC1)C 11a_100000692455_100000210699 [0,0,1,1,0,0|1,0,0]=3 1431 B11R1.840 CC=CC(=O)NC1(CCC1)C 1626a_100000692455_100000210699 [0,0,1,1,0,0|1,0,0]=3 1432 B11R1.840 CC=CC(=O)NC1(CCC1)C 240690a_100000692455_100000210699 [0,0,1,1,0,0|1,0,0]=3 1433 B11R1.840 CC=CC(=O)NC1(COC1)C 11a_100000732644_100000210699 [0,0,1,1,0,0|2,0,0]=4 1434 B11R1.840 CC=CC(=O)NC1(COC1)C 1626a_100000732644_100000210699 [0,0,1,1,0,0|2,0,0]=4 1435 B11R1.840 CCCC(=O)CC1(CCC1)C 1458a_100000211992_100000726658 [0,0,1,1,0,0|0,0,2]=4 1436 B11R1.840 COCC(=O)CC1(CCC1)C 1458a_100000210968_100000726658 [0,0,1,1,0,0|1,0,1]=4 1437 B11R1.840 CSCC(=O)CC1(CCC1)C 1458a_100000184570_100000726658 [0,0,1,1,0,0|1,0,1]=4 1438 B11R1.27 CCCOCC1=CC(=O)OC1 34a_100000210258_100000716558 [0,0,1,1,0,0|2,0,0]=4 1439 B11R1.27 CCCSCC1=CC(=O)OC1 62a_100000210303_100000716558 [0,0,1,1,0,0|2,0,0]=4 1440 B11R1.27 CCCSCC1=CC(=O)OC1 62a_100000716558_100000210303 [0,0,1,1,0,0|2,0,0]=4 1441 B11R1.77 C=C(C)CC(=O)C1CCCC1 1458a_100000210718_100000748629 [0,0,1,1,0,0|0,0,2]=4 1442 B11R1.77 CC(=CC(=O)C1CCCC1)C 1458a_100000211388_100000179811 [0,0,1,1,0,0|0,0,0]=2 1443 B11R1.77 CC(=CC(=O)C1CCCC1)Cl 1458a_200042562850_100000179811 [0,0,1,1,0,0|1,0,0]=3 1444 B11R1.77 CC(=CC(=O)C1CCCC1)I 1458a_100025716642_100000179811 [0,0,1,1,0,0|1,0,0]=3 1445 B11R1.77 CC(=CC(=O)C1CCOC1)C 1458a_100000211388_100000690089 [0,0,1,1,0,0|1,0,0]=3 1446 B11R1.77 CC(=CC(=O)C1CCOC1)Cl 1458a_200042562850_100000690089 [0,0,1,1,0,0|2,0,0]=4 1447 B11R1.77 CC(=CC(=O)C1CCOC1)I 1458a_100025716642_100000690089 [0,0,1,1,0,0|2,0,0]=4 1448 B11R1.77 CC(=CC(=O)N1CCCC1)C 240690a_100000188435_100000211388 [0,0,1,1,0,0|1,0,0]=3 1449 B11R1.77 CC(=CC(=O)N1CCCC1)Cl 240690a_100000188435_200042562850 [0,0,1,1,0,0|2,0,0]=4 1450 B11R1.77 CC(=CC(=O)N1CCSC1)C 11a_100011215254_100000211388 [0,0,1,1,0,0|2,0,0]=4 1451 B11R1.77 CC(=CC(=O)N1CCSC1)C 240690a_100011215254_100000211388 [0,0,1,1,0,0|2,0,0]=4 1452 B11R1.77 CC(=O)CN(C)C1CCCC1 1458a_100073796569_200000210301 [0,0,1,1,0,0|1,0,1]=4 1453 B11R1.77 CC(=O)NC(C)C1CCCC1 11a_100015185923_100015343762 [0,0,1,1,0,0|1,0,1]=4 1454 B11R1.77 CC(=O)NC(C)C1CCCC1 1626a_100015185923_100015343762 [0,0,1,1,0,0|1,0,1]=4 1455 B11R1.77 CC(=O)NC(C)C1CCCC1 240690a_100015185923_100015343762 [0,0,1,1,0,0|1,0,1]=4 1456 B11R1.77 CC(=O)NC(C)C1CCCC1 527a_100015185923_100103153847 [0,0,1,1,0,0|1,0,1]=4 1457 B11R1.77 CC(C)CC(=O)C1CCCC1 1458a_100000210554_100000179811 [0,0,1,1,0,0|0,0,2]=4 1458 B11R1.77 CC(C)CC(=O)C1CCCC1 1458a_100000210718_100000210624 [0,0,1,1,0,0|0,0,2]=4 1459 B11R1.77 CC(C)NC(=O)C1CCCC1 11a_100138425928_100000210718 [0,0,1,1,0,0|1,0,1]=4 1460 B11R1.77 CC(C)NC(=O)C1CCCC1 1626a_100138425928_100000210718 [0,0,1,1,0,0|1,0,1]=4 1461 B11R1.77 CC(C)NC(=O)C1CCCC1 240690a_100138425928_100000210718 [0,0,1,1,0,0|1,0,1]=4 1462 B11R1.77 CC(C)NC(=O)C1CCCC1 527a_100138425928_100000210718 [0,0,1,1,0,0|1,0,1]=4 1463 B11R1.77 CN(C)CC(=O)C1CCCC1 1458a_100000750896_100000179811 [0,0,1,1,0,0|1,0,1]=4 1464 B11R1.77 CN(CC(=O)[13CH3])C1CCCC1 1458a_100073796569_200025704644 [0,0,1,1,0,0|1,0,1]=4 1465 B11R1.77 C[S+](C)CC(=O)C1CCCC1 1458a_200159257847_100000179811 [0,0,1,1,0,0|1,0,1]=4 1466 B11R1.77 O=C(C=C(Cl)Cl)C1CCCC1 1458a_100000137448_100000179811 [0,0,1,1,0,0|2,0,0]=4 1467 B11R1.106 CC(=CC(=O)N[C@@H]1C[C@@H]1F)C 240690a_100015190264_100000211388 [0,0,1,1,0,0|2,0,0]=4 1468 B11R1.106 CC(=CC(=O)N[C@@H]1C[C@H]1F)C 11a_100025746932_100000211388 [0,0,1,1,0,0|2,0,0]=4 1469 B11R1.106 CC(=CC(=O)N[C@@H]1C[C@H]1F)C 1626a_100025746932_100000211388 [0,0,1,1,0,0|2,0,0]=4 1470 B11R1.106 CC(=CC(=O)N[C@@H]1C[C@H]1F)C 240690a_100025746932_100000211388 [0,0,1,1,0,0|2,0,0]=4 1471 B11R1.141 CC(=CC(=O)C1CCC1=O)C 1458a_100000211388_100009892977 [0,0,1,1,0,0|1,0,1]=4 1472 B11R1.141 CC(=CC(=O)N1CCC1C)C 11a_100000755817_100000211388 [0,0,1,1,0,0|1,0,0]=3 1473 B11R1.141 CC(=CC(=O)N1CCC1C)C 240690a_100000755817_100000211388 [0,0,1,1,0,0|1,0,0]=3 1474 B11R1.141 CC(=CC(=O)N1CCC1C)Cl 11a_100000755817_200042562850 [0,0,1,1,0,0|2,0,0]=4 1475 B11R1.141 CC(=CC(=O)N1CCC1C)Cl 240690a_100000755817_200042562850 [0,0,1,1,0,0|2,0,0]=4 1476 B11R1.141 CC(=CC(=O)N1CCC1C)I 11a_100000755817_100025716642 [0,0,1,1,0,0|2,0,0]=4 1477 B11R1.143 CC(=O)C1CCCCCC1=O 1458a_100000070787_100000243696 [0,0,1,1,0,0|1,0,1]=4 1478 B11R1.143 CC(=O)C1CCCCCN1C 1458a_100015187800_200000210301 [0,0,1,1,0,0|1,0,1]=4 1479 B11R1.143 CN(C)C1CCCCCC1=O 269982a_100102631434_100000243696 [0,0,1,1,0,0|1,0,1]=4 1480 B11R1.143 CN1CCCCCC1C(=O)[13CH3] 1458a_100015187800_200025704644 [0,0,1,1,0,0|1,0,1]=4 1481 B11R1.156 CC(=O)N1C(CCCC1C)C 11a_100000210447_100015343762 [0,0,1,1,0,0|1,0,1]=4 1482 B11R1.156 CC(=O)N1C(CCCC1C)C 240690a_100000210447_100015343762 [0,0,1,1,0,0|1,0,1]=4 1483 B11R1.257 C=C(C)CC(=O)C1CC1CC 1458a_200011661523_100000748629 [0,0,1,1,0,0|0,0,2]=4 1484 B11R1.257 CCC1CC1C(=O)CC(C)C 1458a_200011661523_100000210624 [0,0,1,1,0,0|0,0,2]=4 1485 B11R1.257 CCC1CC1C(=O)NC(C)C 11a_100138425928_200011661523 [0,0,1,1,0,0|1,0,1]=4 1486 B11R1.257 CCC1CC1C(=O)NC(C)C 1626a_100138425928_200011661523 [0,0,1,1,0,0|1,0,1]=4 1487 B11R1.257 CCC1CC1C(=O)NC(C)C 240690a_100138425928_200011661523 [0,0,1,1,0,0|1,0,1]=4 1488 B11R1.257 CCC1CC1C(=O)NC(C)C 527a_100138425928_200011661523 [0,0,1,1,0,0|1,0,1]=4 1489 B11R1.301 CCCCCC(=O)CC1CC1 1458a_100000212188_100000742324 [0,0,1,1,0,0|0,0,2]=4 1490 B11R1.301 CCCCCC(=O)CC1CC1 1458a_100000738066_100000210326 [0,0,1,1,0,0|0,0,2]=4 1491 B11R1.301 CCCCCC(=O)NC1CC1 1626a_100000212008_100000212188 [0,0,1,1,0,0|1,0,1]=4 1492 B11R1.301 CCCCCC(=O)NC1CC1 240690a_100000212008_100000212188 [0,0,1,1,0,0|1,0,1]=4 1493 B11R1.301 CCCCCC(=O)NC1CC1 527a_100000212008_100000212188 [0,0,1,1,0,0|1,0,1]=4 1494 B11R1.484 C=C(C)CC(=O)CC1CCC1 1458a_100000763092_100000748629 [0,0,1,1,0,0|0,0,2]=4 1495 B11R1.484 CC(=CC(=O)CC1CCC1)C 1458a_100000211388_100000763275 [0,0,1,1,0,0|0,0,0]=2 1496 B11R1.484 CC(=CC(=O)CC1CCC1)Cl 1458a_200042562850_100000763275 [0,0,1,1,0,0|1,0,0]=3 1497 B11R1.484 CC(=CC(=O)CC1CCC1)I 1458a_100025716642_100000763275 [0,0,1,1,0,0|1,0,0]=3 1498 B11R1.484 CC(=CC(=O)CC1CCO1)C 1458a_100000211388_100000103362 [0,0,1,1,0,0|1,0,0]=3 1499 B11R1.484 CC(=CC(=O)CC1CCO1)Cl 1458a_200042562850_100000103362 [0,0,1,1,0,0|2,0,0]=4 1500 B11R1.484 CC(=CC(=O)CC1CCO1)I 1458a_100025716642_100000103362 [0,0,1,1,0,0|2,0,0]=4 1501 B11R1.484 CC(=CC(=O)CC1COC1)C 1458a_100000211388_100010264016 [0,0,1,1,0,0|1,0,0]=3 1502 B11R1.484 CC(=CC(=O)CC1COC1)Cl 1458a_200042562850_100010264016 [0,0,1,1,0,0|2,0,0]=4 1503 B11R1.484 CC(=CC(=O)CC1COC1)I 1458a_100025716642_100010264016 [0,0,1,1,0,0|2,0,0]=4 1504 B11R1.484 CC(=CC(=O)NC1CCC1)C 11a_100000749019_100000211388 [0,0,1,1,0,0|1,0,0]=3 1505 B11R1.484 CC(=CC(=O)NC1CCC1)C 1626a_100000749019_100000211388 [0,0,1,1,0,0|1,0,0]=3 1506 B11R1.484 CC(=CC(=O)NC1CCC1)C 240690a_100000749019_100000211388 [0,0,1,1,0,0|1,0,0]=3 1507 B11R1.484 CC(=CC(=O)NC1CCC1)Cl 11a_100000749019_200042562850 [0,0,1,1,0,0|2,0,0]=4 1508 B11R1.484 CC(=CC(=O)NC1CCC1)Cl 1626a_100000749019_200042562850 [0,0,1,1,0,0|2,0,0]=4 1509 B11R1.484 CC(=CC(=O)NC1CCC1)Cl 240690a_100000749019_200042562850 [0,0,1,1,0,0|2,0,0]=4 1510 B11R1.484 CC(=CC(=O)NC1CCC1)I 11a_100000749019_100025716642 [0,0,1,1,0,0|2,0,0]=4 1511 B11R1.484 CC(=CC(=O)NC1CCC1)I 1626a_100000749019_100025716642 [0,0,1,1,0,0|2,0,0]=4 1512 B11R1.484 CC(=CC(=O)NC1COC1)C 11a_100016991112_100000211388 [0,0,1,1,0,0|2,0,0]=4 1513 B11R1.484 CC(=CC(=O)NC1COC1)C 1626a_100016991112_100000211388 [0,0,1,1,0,0|2,0,0]=4 1514 B11R1.484 CC(=CC(=O)NC1COC1)C 240690a_100016991112_100000211388 [0,0,1,1,0,0|2,0,0]=4 1515 B11R1.484 CC(=CC(=O)NC1CSC1)C 11a_100016994217_100000211388 [0,0,1,1,0,0|2,0,0]=4 1516 B11R1.484 CC(=CC(=O)NC1CSC1)C 1626a_100016994217_100000211388 [0,0,1,1,0,0|2,0,0]=4 1517 B11R1.484 CC(=CC(=O)NC1CSC1)C 240690a_100016994217_100000211388 [0,0,1,1,0,0|2,0,0]=4 1518 B11R1.484 CC(C)CC(=O)CC1CCC1 1458a_100000210554_100000763275 [0,0,1,1,0,0|0,0,2]=4 1519 B11R1.484 CC(C)CC(=O)CC1CCC1 1458a_100000763092_100000210624 [0,0,1,1,0,0|0,0,2]=4 1520 B11R1.484 CC(C)NC(=O)CC1CCC1 11a_100138425928_100000763092 [0,0,1,1,0,0|1,0,1]=4 1521 B11R1.484 CC(C)NC(=O)CC1CCC1 1626a_100138425928_100000763092 [0,0,1,1,0,0|1,0,1]=4 1522 B11R1.484 CC(C)NC(=O)CC1CCC1 240690a_100138425928_100000763092 [0,0,1,1,0,0|1,0,1]=4 1523 B11R1.484 CC(C)NC(=O)CC1CCC1 527a_100138425928_100000763092 [0,0,1,1,0,0|1,0,1]=4 1524 B11R1.484 CN(C)CC(=O)CC1CCC1 1458a_100000750896_100000763275 [0,0,1,1,0,0|1,0,1]=4 1525 B11R1.484 C[S+](C)CC(=O)CC1CCC1 1458a_200159257847_100000763275 [0,0,1,1,0,0|1,0,1]=4 1526 B11R1.484 O=C(C=C(Cl)Cl)CC1CCC1 1458a_100000137448_100000763275 [0,0,1,1,0,0|2,0,0]=4 1527 B11R1.485 C=C(C)CC(=O)CCC1CC1 1458a_100000756386_100000748629 [0,0,1,1,0,0|0,0,2]=4 1528 B11R1.485 CC(=CC(=O)CCC1CC1)C 1458a_100000211388_100000694398 [0,0,1,1,0,0|0,0,0]=2 1529 B11R1.485 CC(=CC(=O)CCC1CC1)Cl 1458a_200042562850_100000694398 [0,0,1,1,0,0|1,0,0]=3 1530 B11R1.485 CC(=CC(=O)CCC1CC1)I 1458a_100025716642_100000694398 [0,0,1,1,0,0|1,0,0]=3 1531 B11R1.485 CC(=CC(=O)CCC1CO1)C 1458a_100000211388_100000732470 [0,0,1,1,0,0|1,0,0]=3 1532 B11R1.485 CC(=CC(=O)CCC1CO1)Cl 1458a_200042562850_100000732470 [0,0,1,1,0,0|2,0,0]=4 1533 B11R1.485 CC(=CC(=O)CCC1CO1)I 1458a_100025716642_100000732470 [0,0,1,1,0,0|2,0,0]=4 1534 B11R1.485 CC(=CC(=O)NCC1CC1)C 11a_100000735609_100000211388 [0,0,1,1,0,0|1,0,0]=3 1535 B11R1.485 CC(=CC(=O)NCC1CC1)C 1626a_100000735609_100000211388 [0,0,1,1,0,0|1,0,0]=3 1536 B11R1.485 CC(=CC(=O)NCC1CC1)C 240690a_100000735609_100000211388 [0,0,1,1,0,0|1,0,0]=3 1537 B11R1.485 CC(=CC(=O)NCC1CC1)Cl 11a_100000735609_200042562850 [0,0,1,1,0,0|2,0,0]=4 1538 B11R1.485 CC(=CC(=O)NCC1CC1)Cl 1626a_100000735609_200042562850 [0,0,1,1,0,0|2,0,0]=4 1539 B11R1.485 CC(=CC(=O)NCC1CC1)Cl 240690a_100000735609_200042562850 [0,0,1,1,0,0|2,0,0]=4 1540 B11R1.485 CC(=CC(=O)NCC1CC1)I 11a_100000735609_100025716642 [0,0,1,1,0,0|2,0,0]=4 1541 B11R1.485 CC(=CC(=O)NCC1CC1)I 1626a_100000735609_100025716642 [0,0,1,1,0,0|2,0,0]=4 1542 B11R1.485 CC(=CC(=O)NNC1CC1)C 22a_100000701032_100000211388 [0,0,1,1,0,0|2,0,0]=4 1543 B11R1.485 CC(C)CC(=O)CCC1CC1 1458a_100000210554_100000694398 [0,0,1,1,0,0|0,0,2]=4 1544 B11R1.485 CC(C)CC(=O)CCC1CC1 1458a_100000756386_100000210624 [0,0,1,1,0,0|0,0,2]=4 1545 B11R1.485 CC(C)NC(=O)CCC1CC1 11a_100138425928_100000756386 [0,0,1,1,0,0|1,0,1]=4 1546 B11R1.485 CC(C)NC(=O)CCC1CC1 1626a_100138425928_100000756386 [0,0,1,1,0,0|1,0,1]=4 1547 B11R1.485 CC(C)NC(=O)CCC1CC1 240690a_100138425928_100000756386 [0,0,1,1,0,0|1,0,1]=4 1548 B11R1.485 CC(C)NC(=O)CCC1CC1 527a_100138425928_100000756386 [0,0,1,1,0,0|1,0,1]=4 1549 B11R1.485 CN(C)CC(=O)CCC1CC1 1458a_100000750896_100000694398 [0,0,1,1,0,0|1,0,1]=4 1550 B11R1.485 C[S+](C)CC(=O)CCC1CC1 1458a_200159257847_100000694398 [0,0,1,1,0,0|1,0,1]=4 1551 B11R1.485 O=C(C=C(Cl)Cl)CCC1CC1 1458a_100000137448_100000694398 [0,0,1,1,0,0|2,0,0]=4 1552 B11R1.742 CC(=O)C=C1CCCCCC1 1458a_100011240665_200000210301 [0,0,1,1,0,0|0,0,0]=2 1553 B11R1.742 CC(=O)CC1CCCCCC1 1458a_100000070787_200000696569 [0,0,1,1,0,0|0,0,2]=4 1554 B11R1.742 CC(=O)CC1CCCCCC1 1458a_100000685095_200000210301 [0,0,1,1,0,0|0,0,2]=4 1555 B11R1.742 CC(=O)CN1CCCCCC1 1458a_100000740298_200000210301 [0,0,1,1,0,0|1,0,1]=4 1556 B11R1.742 CC(=O)NC1CCCCCC1 11a_100000210984_100015343762 [0,0,1,1,0,0|1,0,1]=4 1557 B11R1.742 CC(=O)NC1CCCCCC1 1626a_100000210984_100015343762 [0,0,1,1,0,0|1,0,1]=4 1558 B11R1.742 CC(=O)NC1CCCCCC1 240690a_100000210984_100015343762 [0,0,1,1,0,0|1,0,1]=4 1559 B11R1.742 CC(=O)NC1CCCCCC1 527a_100000210984_100103153847 [0,0,1,1,0,0|1,0,1]=4 1560 B11R1.742 [13CH3]C(=O)C=C1CCCCCC1 1458a_100011240665_200025704644 [0,0,1,1,0,0|0,0,0]=2 1561 B11R1.742 [13CH3]C(=O)CC1CCCCCC1 1458a_100000685095_200025704644 [0,0,1,1,0,0|0,0,2]=4 1562 B11R1.742 [13CH3]C(=O)CN1CCCCCC1 1458a_100000740298_200025704644 [0,0,1,1,0,0|1,0,1]=4 1563 B11R1.928 CC(=O)NC1(CCCCC1)C 11a_100000741114_100015343762 [0,0,1,1,0,0|1,0,1]=4 1564 B11R1.928 CC(=O)NC1(CCCCC1)C 1626a_100000741114_100015343762 [0,0,1,1,0,0|1,0,1]=4 1565 B11R1.928 CC(=O)NC1(CCCCC1)C 240690a_100000741114_100015343762 [0,0,1,1,0,0|1,0,1]=4 1566 B11R1.928 CC(=O)NC1(CCCCC1)C 527a_100000741114_100103153847 [0,0,1,1,0,0|1,0,1]=4 1567 B11R1.1034 CCCCCC(=O)C1CC1C 1458a_100000211227_100000210326 [0,0,1,1,0,0|0,0,2]=4 1568 B11R1.57 C=C(C)CN1CC=CC1CC 2230a_100000730860_100000748629 [0,0,1,1,0,0|2,0,0]=4 1569 B11R1.57 C=C(C)CN1CC=CC1CC 269982a_100000730860_100000748629 [0,0,1,1,0,0|2,0,0]=4 1570 B11R1.57 C=C(C)CN1CC=CC1CC 34a_100000730860_100000748629 [0,0,1,1,0,0|2,0,0]=4 1571 B11R2.35 CC1=CCCN(C1)C2CC2 269982a_100000725631_100000211595 [1,0,0,1,0,0|1,0,1]=4 1572 B11R2.35 CC1=CCCN(C1)C2CC2 34a_100000725631_100000211595 [1,0,0,1,0,0|1,0,1]=4 1573 B11R2.248 CCCN1CC2C=CC1C2 2230a_100000732668_100000210303 [1,0,0,1,0,0|1,0,1]=4 1574 B11R2.248 CCCN1CC2C=CC1C2 269982a_100000732668_100000210303 [1,0,0,1,0,0|1,0,1]=4 1575 B11R2.248 CCCN1CC2C=CC1C2 34a_100000732668_100000210303 [1,0,0,1,0,0|1,0,1]=4 1576 B11R2.248 CCOC1CC2C=CC1C2 34a_100000043678_100000210202 [1,0,0,1,0,0|1,0,1]=4 1577 B11R2.248 CNCC1CC2C=CC1C2 2230a_100000189500_200000210301 [1,0,0,1,0,0|1,0,1]=4 1578 B11R2.248 CNCC1CC2C=CC1C2 2230a_106832991635_200009814271 [1,0,0,1,0,0|1,0,1]=4 1579 B11R2.248 CNCC1CC2C=CC1C2 34a_100000189500_200000210301 [1,0,0,1,0,0|1,0,1]=4 1580 B11R2.248 CNCC1CC2C=CC1C2 34a_100102657272_200009814271 [1,0,0,1,0,0|1,0,1]=4 1581 B11R2.248 CNCC1CC2C=CC1C2 7a_106832991635_100000139495 [1,0,0,1,0,0|1,0,1]=4 1582 B11R2.248 COCC1CC2C=CC1C2 34a_100011215361_200000210301 [1,0,0,1,0,0|1,0,1]=4 1583 B11R2.248 COCC1CC2C=CC1C2 34a_100138415774_200009814271 [1,0,0,1,0,0|1,0,1]=4 1584 B11R2.248 CSCC1CC2C=CC1C2 62a_100000139495_200000210301 [1,0,0,1,0,0|1,0,1]=4 1585 B11R2.248 CSCC1CC2C=CC1C2 62a_200000210301_100000139495 [1,0,0,1,0,0|1,0,1]=4 1586 B11R2.248 [13CH3]NCC1CC2C=CC1C2 2230a_100000189500_200025704644 [1,0,0,1,0,0|1,0,1]=4 1587 B11R2.248 [13CH3]NCC1CC2C=CC1C2 34a_100000189500_200025704644 [1,0,0,1,0,0|1,0,1]=4 1588 B11R2.248 [13CH3]OCC1CC2C=CC1C2 34a_100011215361_200025704644 [1,0,0,1,0,0|1,0,1]=4 1589 B11R2.248 [13CH3]SCC1CC2C=CC1C2 62a_100000139495_200025704644 [1,0,0,1,0,0|1,0,1]=4 1590 B11R2.248 [13CH3]SCC1CC2C=CC1C2 62a_200025704644_100000139495 [1,0,0,1,0,0|1,0,1]=4 1591 B13R2.7485 COC12CCCC(C1)CC(=O)C2 34a_200009882635_200000210301 [0,1,0,1,0,0|0,0,2]=4 1592 B13R2.7485 [13CH3]OC12CCCC(C1)CC(=O)C2 34a_200009882635_200025704644 [0,1,0,1,0,0|0,0,2]=4 1593 B9R0.35 C=CCC(=O)C(C)CCC 1458a_100000210193_100000766640 [0,0,1,0,1,0|0,0,2]=4 1594 B9R0.35 C=CCC(=O)C(C)CCC 1458a_100000210906_100000210623 [0,0,1,0,1,0|0,0,2]=4 1595 B9R0.35 CC#CC(=O)C(C)CCC 1458a_100000763181_100000766640 [0,0,1,0,1,0|0,0,2]=4 1596 B9R0.35 CC(CCO)C(=O)C=CBr 1458a_100016273825_100009893172 [0,0,1,0,1,0|2,0,0]=4 1597 B9R0.35 CC(CCO)C(=O)C=CCl 1458a_200016279998_100009893172 [0,0,1,0,1,0|2,0,0]=4 1598 B9R0.35 CC(CCO)C(=O)C=CI 1458a_100016256311_100009893172 [0,0,1,0,1,0|2,0,0]=4 1599 B9R0.35 CC=CC(=O)C(C)CC#N 1458a_100000210699_100009813641 [0,0,1,0,1,0|1,0,1]=4 1600 B9R0.35 CC=CC(=O)C(C)CCC 1458a_100000210699_100000766640 [0,0,1,0,1,0|0,0,0]=2 1601 B9R0.35 CC=CC(=O)C(C)CCO 1458a_100000210699_100009893172 [0,0,1,0,1,0|1,0,0]=3 1602 B9R0.35 CC=CC(=O)C(C)COC 1458a_100000210699_100000765312 [0,0,1,0,1,0|1,0,0]=3 1603 B9R0.35 CC=CC(=O)N(C)CCC 11a_100000747261_100000210699 [0,0,1,0,1,0|1,0,0]=3 1604 B9R0.35 CC=CC(=O)N(C)CCC 1626a_100000747261_100000210699 [0,0,1,0,1,0|1,0,0]=3 1605 B9R0.35 CC=CC(=O)N(C)CCC 240690a_100000747261_100000210699 [0,0,1,0,1,0|1,0,0]=3 1606 B9R0.35 CC=CC(=O)N(C)CCO 240690a_100000210263_100000210699 [0,0,1,0,1,0|2,0,0]=4 1607 B9R0.35 CCCC(=O)C(C)CCC 1458a_100000210906_100000210303 [0,0,1,0,1,0|0,0,2]=4 1608 B9R0.35 CCCC(=O)C(C)CCC 1458a_100000211992_100000766640 [0,0,1,0,1,0|0,0,2]=4 1609 B9R0.35 CCCC(C)C(=O)C=CBr 1458a_100016273825_100000766640 [0,0,1,0,1,0|1,0,0]=3 1610 B9R0.35 CCCC(C)C(=O)C=CCl 1458a_200016279998_100000766640 [0,0,1,0,1,0|1,0,0]=3 1611 B9R0.35 CCCC(C)C(=O)C=CI 1458a_100016256311_100000766640 [0,0,1,0,1,0|1,0,0]=3 1612 B9R0.35 CCCC(C)C(=O)COC 1458a_100000210968_100000766640 [0,0,1,0,1,0|1,0,1]=4 1613 B9R0.35 CCCC(C)C(=O)CSC 1458a_100000184570_100000766640 [0,0,1,0,1,0|1,0,1]=4 1614 B9R0.35 CCCC(C)C(=O)NCC 11a_100015525214_100000210906 [0,0,1,0,1,0|1,0,1]=4 1615 B9R0.35 CCCC(C)C(=O)NCC 240690a_100015525214_100000210906 [0,0,1,0,1,0|1,0,1]=4 1616 B9R0.35 CCCC(C)C(=O)NCC 527a_100015525214_100000210906 [0,0,1,0,1,0|1,0,1]=4 1617 B9R0.35 CCCC(C)C(=O)NNC 22a_100016993582_100000210906 [0,0,1,0,1,0|2,0,0]=4 1618 B9R0.35 CCCN(C)C(=O)C=CBr 1626a_100000747261_100016273825 [0,0,1,0,1,0|2,0,0]=4 1619 B9R0.35 CCCN(C)C(=O)C=CBr 240690a_100000747261_100016273825 [0,0,1,0,1,0|2,0,0]=4 1620 B9R0.35 CCCN(C)C(=O)C=CCl 11a_100000747261_200016279998 [0,0,1,0,1,0|2,0,0]=4 1621 B9R0.35 CCCN(C)C(=O)C=CCl 1626a_100000747261_200016279998 [0,0,1,0,1,0|2,0,0]=4 1622 B9R0.35 CCCN(C)C(=O)C=CCl 240690a_100000747261_200016279998 [0,0,1,0,1,0|2,0,0]=4 1623 B9R0.35 CCCN(C)C(=O)C=CI 1626a_100000747261_100016256311 [0,0,1,0,1,0|2,0,0]=4 1624 B9R0.35 COCC(C)C(=O)C=CBr 1458a_100016273825_100000765312 [0,0,1,0,1,0|2,0,0]=4 1625 B9R0.35 COCC(C)C(=O)C=CCl 1458a_200016279998_100000765312 [0,0,1,0,1,0|2,0,0]=4 1626 B9R0.35 COCC(C)C(=O)C=CI 1458a_100016256311_100000765312 [0,0,1,0,1,0|2,0,0]=4 1627 B9R0.47 C=C(C)C(=O)CCCCC 1458a_100000185857_100000210326 [0,0,1,0,1,0|0,0,1]=3 1628 B9R0.47 C=C(C)C(=O)CCCCF 1458a_100000185857_100000729493 [0,0,1,0,1,0|1,0,1]=4 1629 B9R0.47 C=C(C)C(=O)CCCCO 1458a_100000185857_100000210776 [0,0,1,0,1,0|1,0,1]=4 1630 B9R0.47 C=C(C)C(=O)CCCOC 1458a_100000185857_100000740836 [0,0,1,0,1,0|1,0,1]=4 1631 B9R0.47 C=C(C)C(=O)CCOCC 1458a_100000185857_100011215890 [0,0,1,0,1,0|1,0,1]=4 1632 B9R0.47 C=C(C)C(=O)CCSCC 1458a_100000185857_100000757381 [0,0,1,0,1,0|1,0,1]=4 1633 B9R0.47 C=C(C)C(=O)NCCCC 11a_100000102301_100000185857 [0,0,1,0,1,0|1,0,1]=4 1634 B9R0.47 C=C(C)C(=O)NCCCC 1626a_100000102301_100000185857 [0,0,1,0,1,0|1,0,1]=4 1635 B9R0.47 CC(=O)N(C)CCCCO 240690a_100000717598_100015343762 [0,0,1,0,1,0|2,0,0]=4 1636 B9R0.47 CC(C)C(=O)CCCCF 1458a_100000210198_100000729493 [0,0,1,0,1,0|1,0,1]=4 1637 B9R0.47 CC(C)C(=O)CCCCO 1458a_100000210198_100000210776 [0,0,1,0,1,0|1,0,1]=4 1638 B9R0.47 CC(C)C(=O)CCCCO 1458a_100000695505_100000210206 [0,0,1,0,1,0|1,0,1]=4 1639 B9R0.47 CCCCCC(=O)C(C)C 1458a_100000210198_100000210326 [0,0,1,0,1,0|0,0,1]=3 1640 B9R0.47 CCCCCC(=O)C(C)C 1458a_100000212188_100000210206 [0,0,1,0,1,0|0,0,1]=3 1641 B9R0.47 CCCCCC(=O)C(C)F 1458a_100000062450_100000210326 [0,0,1,0,1,0|1,0,1]=4 1642 B9R0.47 CCCCCC(=O)N(C)C 11a_100102631434_100000212188 [0,0,1,0,1,0|1,0,0]=3 1643 B9R0.47 CCCCCC(=O)N(C)C 1626a_100102631434_100000212188 [0,0,1,0,1,0|1,0,0]=3 1644 B9R0.47 CCCCCC(=O)N(C)C 240690a_100102631434_100000212188 [0,0,1,0,1,0|1,0,0]=3 1645 B9R0.47 CCCCCC(=O)N(C)C 527a_100102631434_100000212188 [0,0,1,0,1,0|1,0,0]=3 1646 B9R0.47 CCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210326 [0,0,1,0,1,0|1,0,1]=4 1647 B9R0.47 CCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210326 [0,0,1,0,1,0|1,0,1]=4 1648 B9R0.47 CCCCCC(C)C(=O)C 1458a_100000070787_200011218191 [0,0,1,0,1,0|0,0,1]=3 1649 B9R0.47 CCCCCC(C)C(=O)C 1458a_100011215998_200000210301 [0,0,1,0,1,0|0,0,1]=3 1650 B9R0.47 CCCCCC(C)C(=O)[13CH3] 1458a_100011215998_200025704644 [0,0,1,0,1,0|0,0,1]=3 1651 B9R0.47 CCCCCN(C)C(=O)C 11a_100000223495_100015343762 [0,0,1,0,1,0|1,0,0]=3 1652 B9R0.47 CCCCCN(C)C(=O)C 1626a_100000223495_100015343762 [0,0,1,0,1,0|1,0,0]=3 1653 B9R0.47 CCCCCN(C)C(=O)C 240690a_100000223495_100015343762 [0,0,1,0,1,0|1,0,0]=3 1654 B9R0.47 CCCCCN(C)C(=O)C 527a_100000223495_100103153847 [0,0,1,0,1,0|1,0,0]=3 1655 B9R0.47 CCCCNC(=O)C(C)C 11a_100000102301_100000210198 [0,0,1,0,1,0|1,0,1]=4 1656 B9R0.47 CCCCNC(=O)C(C)C 1626a_100000102301_100000210198 [0,0,1,0,1,0|1,0,1]=4 1657 B9R0.47 CCCCNC(=O)C(C)C 240690a_100000102301_100000210198 [0,0,1,0,1,0|1,0,1]=4 1658 B9R0.47 CCCCNC(=O)C(C)C 527a_100000102301_100000210198 [0,0,1,0,1,0|1,0,1]=4 1659 B9R0.47 CCCCNC(=O)N(C)C 2708a_100000102301_100102631434 [0,0,1,0,1,0|2,0,0]=4 1660 B9R0.47 CCCCNC(C)C(=O)C 2230a_100000102301_100009814033 [0,0,1,0,1,0|1,0,1]=4 1661 B9R0.47 CCCCNC(C)C(=O)C 7a_106832991798_100000179758 [0,0,1,0,1,0|1,0,1]=4 1662 B9R0.47 CCCCOC(C)C(=O)C 34a_100000212229_100000210210 [0,0,1,0,1,0|1,0,1]=4 1663 B9R0.47 CCCCOC(C)C(=O)C 7a_100000210227_100000179758 [0,0,1,0,1,0|1,0,1]=4 1664 B9R0.47 CCCCSC(C)C(=O)C 1458a_100000191163_200000210301 [0,0,1,0,1,0|1,0,1]=4 1665 B9R0.47 CCCCSC(C)C(=O)C 62a_100000210211_100009814033 [0,0,1,0,1,0|1,0,1]=4 1666 B9R0.47 CCCCSC(C)C(=O)C 62a_100009814033_100000210210 [0,0,1,0,1,0|1,0,1]=4 1667 B9R0.47 CCCCSC(C)C(=O)[13CH3] 1458a_100000191163_200025704644 [0,0,1,0,1,0|1,0,1]=4 1668 B9R0.47 CCCNCC(=O)N(C)C 2230a_100015183351_100000210303 [0,0,1,0,1,0|2,0,0]=4 1669 B9R0.47 CCCOCC(=O)C(=O)C 34a_100000210258_100011261029 [0,0,1,0,1,0|2,0,0]=4 1670 B9R0.47 CCCOCC(=O)C(C)C 1458a_100000745993_100000210206 [0,0,1,0,1,0|1,0,1]=4 1671 B9R0.47 CCCOCC(=O)C(C)C 34a_100000210258_100000753385 [0,0,1,0,1,0|1,0,1]=4 1672 B9R0.47 CCCOCC(=O)N(C)C 11a_100102631434_100000745993 [0,0,1,0,1,0|2,0,0]=4 1673 B9R0.47 CCCOCC(=O)N(C)C 1626a_100102631434_100000745993 [0,0,1,0,1,0|2,0,0]=4 1674 B9R0.47 CCCOCC(=O)N(C)C 240690a_100102631434_100000745993 [0,0,1,0,1,0|2,0,0]=4 1675 B9R0.47 CCCOCC(=O)N(C)C 34a_100000210258_100000692301 [0,0,1,0,1,0|2,0,0]=4 1676 B9R0.47 CCCOCC(=O)N(C)C 527a_100102631434_100000745993 [0,0,1,0,1,0|2,0,0]=4 1677 B9R0.47 CCCOCC(C)C(=O)C 34a_100000032740_100000210303 [0,0,1,0,1,0|1,0,1]=4 1678 B9R0.47 CCCOCC(C)C(=O)C 7a_100000032740_100000210303 [0,0,1,0,1,0|1,0,1]=4 1679 B9R0.47 CCCSCC(=O)C(=O)C 62a_100000210303_100011261029 [0,0,1,0,1,0|2,0,0]=4 1680 B9R0.47 CCCSCC(=O)C(=O)C 62a_100011261029_100000210303 [0,0,1,0,1,0|2,0,0]=4 1681 B9R0.47 CCCSCC(=O)C(C)C 1458a_100000217233_100000210206 [0,0,1,0,1,0|1,0,1]=4 1682 B9R0.47 CCCSCC(=O)C(C)C 62a_100000210303_100000753385 [0,0,1,0,1,0|1,0,1]=4 1683 B9R0.47 CCCSCC(=O)C(C)C 62a_100000753385_100000210303 [0,0,1,0,1,0|1,0,1]=4 1684 B9R0.47 CCCSCC(=O)N(C)C 11a_100102631434_100000217233 [0,0,1,0,1,0|2,0,0]=4 1685 B9R0.47 CCCSCC(=O)N(C)C 1626a_100102631434_100000217233 [0,0,1,0,1,0|2,0,0]=4 1686 B9R0.47 CCCSCC(=O)N(C)C 240690a_100102631434_100000217233 [0,0,1,0,1,0|2,0,0]=4 1687 B9R0.47 CCCSCC(=O)N(C)C 527a_100102631434_100000217233 [0,0,1,0,1,0|2,0,0]=4 1688 B9R0.47 CCCSCC(=O)N(C)C 62a_100000210303_100000692301 [0,0,1,0,1,0|2,0,0]=4 1689 B9R0.47 CCCSCC(=O)N(C)C 62a_100000692301_100000210303 [0,0,1,0,1,0|2,0,0]=4 1690 B9R0.47 CCNCCC(=O)N(C)C 2230a_100000738053_100000210202 [0,0,1,0,1,0|2,0,0]=4 1691 B9R0.47 CCNCCC(=O)N(C)C 2230a_100015525214_100000737620 [0,0,1,0,1,0|2,0,0]=4 1692 B9R0.47 CCOCCC(=O)C(C)C 1458a_100000210198_100011215890 [0,0,1,0,1,0|1,0,1]=4 1693 B9R0.47 CCOCCC(=O)C(C)C 1458a_100000749530_100000210206 [0,0,1,0,1,0|1,0,1]=4 1694 B9R0.47 CCOCCC(=O)N(C)C 11a_100102631434_100000749530 [0,0,1,0,1,0|2,0,0]=4 1695 B9R0.47 CCOCCC(=O)N(C)C 1626a_100102631434_100000749530 [0,0,1,0,1,0|2,0,0]=4 1696 B9R0.47 CCOCCC(=O)N(C)C 240690a_100102631434_100000749530 [0,0,1,0,1,0|2,0,0]=4 1697 B9R0.47 CCOCCC(=O)N(C)C 34a_200000747469_100000210202 [0,0,1,0,1,0|2,0,0]=4 1698 B9R0.47 CCOCCC(=O)N(C)C 527a_100102631434_100000749530 [0,0,1,0,1,0|2,0,0]=4 1699 B9R0.47 CCSCCC(=O)C(C)C 1458a_100000210198_100000757381 [0,0,1,0,1,0|1,0,1]=4 1700 B9R0.47 CCSCCC(=O)C(C)C 1458a_100000230768_100000210206 [0,0,1,0,1,0|1,0,1]=4 1701 B9R0.47 CCSCCC(=O)N(C)C 11a_100102631434_100000230768 [0,0,1,0,1,0|2,0,0]=4 1702 B9R0.47 CCSCCC(=O)N(C)C 1626a_100102631434_100000230768 [0,0,1,0,1,0|2,0,0]=4 1703 B9R0.47 CCSCCC(=O)N(C)C 240690a_100102631434_100000230768 [0,0,1,0,1,0|2,0,0]=4 1704 B9R0.47 CCSCCC(=O)N(C)C 527a_100102631434_100000230768 [0,0,1,0,1,0|2,0,0]=4 1705 B9R0.47 CCSCCC(=O)N(C)C 62a_100000210202_100000737620 [0,0,1,0,1,0|2,0,0]=4 1706 B9R0.47 CCSCCC(=O)N(C)C 62a_100000737620_100000210202 [0,0,1,0,1,0|2,0,0]=4 1707 B9R0.47 CN(C)C(=O)CCCCO 1626a_100102631434_100000695505 [0,0,1,0,1,0|2,0,0]=4 1708 B9R0.47 CN(C)C(=O)CCCN[13CH3] 2230a_200000744827_200025704644 [0,0,1,0,1,0|2,0,0]=4 1709 B9R0.47 CN(C)C(=O)CCCS[13CH3] 62a_100000737642_200025704644 [0,0,1,0,1,0|2,0,0]=4 1710 B9R0.47 CN(C)C(=O)CCCS[13CH3] 62a_200025704644_100000737642 [0,0,1,0,1,0|2,0,0]=4 1711 B9R0.47 CNCCCC(=O)N(C)C 2230a_106832991635_100000737642 [0,0,1,0,1,0|2,0,0]=4 1712 B9R0.47 CNCCCC(=O)N(C)C 2230a_200000744827_200000210301 [0,0,1,0,1,0|2,0,0]=4 1713 B9R0.47 CNCCCC(=O)N(C)C 7a_106832991635_100000737642 [0,0,1,0,1,0|2,0,0]=4 1714 B9R0.47 COCCCC(=O)C(C)C 1458a_100000210198_100000740836 [0,0,1,0,1,0|1,0,1]=4 1715 B9R0.47 COCCCC(=O)C(C)C 1458a_100000741012_100000210206 [0,0,1,0,1,0|1,0,1]=4 1716 B9R0.47 COCCCC(=O)N(C)C 11a_100102631434_100000741012 [0,0,1,0,1,0|2,0,0]=4 1717 B9R0.47 COCCCC(=O)N(C)C 1626a_100102631434_100000741012 [0,0,1,0,1,0|2,0,0]=4 1718 B9R0.47 COCCCC(=O)N(C)C 240690a_100102631434_100000741012 [0,0,1,0,1,0|2,0,0]=4 1719 B9R0.47 COCCCC(=O)N(C)C 527a_100102631434_100000741012 [0,0,1,0,1,0|2,0,0]=4 1720 B9R0.47 COCCCN(C)C(=O)C 11a_100000224831_100015343762 [0,0,1,0,1,0|2,0,0]=4 1721 B9R0.47 COCCCN(C)C(=O)C 1626a_100000224831_100015343762 [0,0,1,0,1,0|2,0,0]=4 1722 B9R0.47 COCCCN(C)C(=O)C 240690a_100000224831_100015343762 [0,0,1,0,1,0|2,0,0]=4 1723 B9R0.47 COCCCN(C)C(=O)C 527a_100000224831_100103153847 [0,0,1,0,1,0|2,0,0]=4 1724 B9R0.47 CSCCCC(=O)C(C)C 1458a_100000173376_100000210206 [0,0,1,0,1,0|1,0,1]=4 1725 B9R0.47 CSCCCC(=O)N(C)C 11a_100102631434_100000173376 [0,0,1,0,1,0|2,0,0]=4 1726 B9R0.47 CSCCCC(=O)N(C)C 1626a_100102631434_100000173376 [0,0,1,0,1,0|2,0,0]=4 1727 B9R0.47 CSCCCC(=O)N(C)C 240690a_100102631434_100000173376 [0,0,1,0,1,0|2,0,0]=4 1728 B9R0.47 CSCCCC(=O)N(C)C 527a_100102631434_100000173376 [0,0,1,0,1,0|2,0,0]=4 1729 B9R0.47 CSCCCC(=O)N(C)C 62a_100000737642_200000210301 [0,0,1,0,1,0|2,0,0]=4 1730 B9R0.47 CSCCCC(=O)N(C)C 62a_200000210301_100000737642 [0,0,1,0,1,0|2,0,0]=4 1731 B9R0.15 CCCC(CCC)C(=O)C 1458a_100000070787_200011218217 [0,0,1,0,1,0|0,0,2]=4 1732 B9R0.15 CCCC(CCC)C(=O)C 1458a_100011215354_200000210301 [0,0,1,0,1,0|0,0,2]=4 1733 B9R0.15 CCCC(CCC)C(=O)[13CH3] 1458a_100011215354_200025704644 [0,0,1,0,1,0|0,0,2]=4 1734 B9R1.23 CN1CC(CC1=O)N[13CH3] 2230a_100000748898_200025704644 [1,0,0,0,1,0|2,0,0]=4 1735 B9R1.23 CN1CC(CC1=O)N[13CH3] 34a_100000748898_200025704644 [1,0,0,0,1,0|2,0,0]=4 1736 B9R1.23 CNC1CC(=O)N(C1)C 2230a_100000748898_200000210301 [1,0,0,0,1,0|2,0,0]=4 1737 B9R1.23 CNC1CC(=O)N(C1)C 34a_100000748898_200000210301 [1,0,0,0,1,0|2,0,0]=4 1738 B9R1.7 CCCN1CNC(=O)C1 2230a_200000708111_100000210303 [1,0,0,0,1,0|2,0,0]=4 1739 B9R1.7 CCNC1CNC(=O)C1 2230a_100000697751_100000210202 [1,0,0,0,1,0|2,0,0]=4 1740 B9R1.7 CCOC1CCC(=O)C1 34a_100012614533_100000210202 [1,0,0,0,1,0|1,0,1]=4 1741 B9R1.7 CCOC1CNC(=O)C1 34a_100000690082_100000210202 [1,0,0,0,1,0|2,0,0]=4 1742 B9R1.7 CNCC1CNC(=O)C1 2230a_100016993742_200000210301 [1,0,0,0,1,0|2,0,0]=4 1743 B9R1.7 CNCC1CNC(=O)C1 34a_100016993742_200000210301 [1,0,0,0,1,0|2,0,0]=4 1744 B9R1.7 COCC1CNC(=O)C1 34a_100016041077_200000210301 [1,0,0,0,1,0|2,0,0]=4 1745 B9R1.7 [13CH3]NCC1CNC(=O)C1 2230a_100016993742_200025704644 [1,0,0,0,1,0|2,0,0]=4 1746 B9R1.7 [13CH3]NCC1CNC(=O)C1 34a_100016993742_200025704644 [1,0,0,0,1,0|2,0,0]=4 1747 B9R1.7 [13CH3]OCC1CNC(=O)C1 34a_100016041077_200025704644 [1,0,0,0,1,0|2,0,0]=4 1748 B11R0.62 C/C=C/C(C)OCC(C)CCC 34a_200102604097_100011216630 [0,0,1,0,0,1|1,0,1]=4 1749 B11R0.62 C=COC(=O)CNC(C)CCC 2230a_100000741246_100000036128 [0,0,1,0,0,1|1,0,1]=4 1750 B11R0.62 C=COC(=O)COC(C)CCC 34a_100000764384_100000036128 [0,0,1,0,0,1|1,0,1]=4 1751 B11R0.62 C=COC(=O)CSC(C)CCC 62a_100000036128_100000766640 [0,0,1,0,0,1|1,0,1]=4 1752 B11R0.62 C=COC(=O)CSC(C)CCC 62a_100000766640_100000036128 [0,0,1,0,0,1|1,0,1]=4 1753 B11R0.62 CC=CC(=O)COC(=O)CCC 1458a_100000210699_100000034017 [0,0,1,0,0,1|1,0,1]=4 1754 B11R0.62 CC=CC(=O)NCC(O)COC 240690a_100000756049_100000210699 [0,0,1,0,0,1|2,0,0]=4 1755 B11R0.62 CCCC(=O)CNC(C)CCC 2230a_100000741246_100000747444 [0,0,1,0,0,1|0,0,2]=4 1756 B11R0.62 CCCC(=O)COC(C)CCC 7a_100000764384_100000747444 [0,0,1,0,0,1|0,0,2]=4 1757 B11R0.62 CCCC(=O)CSC(C)CCC 62a_100000747444_100000766640 [0,0,1,0,0,1|0,0,2]=4 1758 B11R0.62 CCCC(=O)CSC(C)CCC 62a_100000766640_100000747444 [0,0,1,0,0,1|0,0,2]=4 1759 B11R0.62 CCCC(C)NCC(=O)NCC 2230a_100000741246_100000183381 [0,0,1,0,0,1|1,0,1]=4 1760 B11R0.62 CCCC(C)NCC(=O)NCC 2230a_100016988866_100000766640 [0,0,1,0,0,1|1,0,1]=4 1761 B11R0.62 CCCC(C)NCC(=O)NCC 270004a_100016988866_100000211909 [0,0,1,0,0,1|1,0,1]=4 1762 B11R0.62 CCCC(C)NCC(=O)OCC 2230a_100000741246_100000188475 [0,0,1,0,0,1|1,0,1]=4 1763 B11R0.62 CCCC(C)OCC(=O)NCC 34a_100000764384_100000183381 [0,0,1,0,0,1|1,0,1]=4 1764 B11R0.62 CCCC(C)OCC(=O)NCC 7a_100000764384_100000183381 [0,0,1,0,0,1|1,0,1]=4 1765 B11R0.62 CCCC(C)OCC(=O)OCC 34a_100000764384_100000188475 [0,0,1,0,0,1|1,0,1]=4 1766 B11R0.62 CCCC(C)OCC(=O)OCC 7a_100000764384_100000188475 [0,0,1,0,0,1|1,0,1]=4 1767 B11R0.62 CCCC(C)SCC(=O)NCC 62a_100000183381_100000766640 [0,0,1,0,0,1|1,0,1]=4 1768 B11R0.62 CCCC(C)SCC(=O)NCC 62a_100000766640_100000183381 [0,0,1,0,0,1|1,0,1]=4 1769 B11R0.62 CCCC(C)SCC(=O)OCC 62a_100000188475_100000766640 [0,0,1,0,0,1|1,0,1]=4 1770 B11R0.62 CCCC(C)SCC(=O)OCC 62a_100000766640_100000188475 [0,0,1,0,0,1|1,0,1]=4 1771 B11R0.46 C#CCCCC(=O)CC=C(C)C 1458a_100000690238_100000761012 [0,0,1,0,0,1|0,0,2]=4 1772 B11R0.46 C#CCCCC(=O)CC=C(C)C 1458a_100011220947_100000731252 [0,0,1,0,0,1|0,0,2]=4 1773 B11R0.46 C=C(C)CCC(=O)CCCCC 1458a_100000212188_100000730704 [0,0,1,0,0,1|0,0,2]=4 1774 B11R0.46 C=C(C)CCC(=O)CCCCC 1458a_200000688413_100000210326 [0,0,1,0,0,1|0,0,2]=4 1775 B11R0.46 C=C(C)CNC(=O)CCCCC 11a_100000765925_100000212188 [0,0,1,0,0,1|0,0,2]=4 1776 B11R0.46 C=C(C)CNC(=O)CCCCC 1626a_100000765925_100000212188 [0,0,1,0,0,1|0,0,2]=4 1777 B11R0.46 C=C(C)CNC(=O)CCCCC 240690a_100000765925_100000212188 [0,0,1,0,0,1|0,0,2]=4 1778 B11R0.46 C=C(C)CNC(=O)CCCCC 527a_100000765925_100000212188 [0,0,1,0,0,1|0,0,2]=4 1779 B11R0.46 C=CCCCC(=O)CC=C(C)C 1458a_100000766728_100000761012 [0,0,1,0,0,1|0,0,2]=4 1780 B11R0.46 C=CCCCC(=O)CC=C(C)C 1458a_100011220947_100000757094 [0,0,1,0,0,1|0,0,2]=4 1781 B11R0.46 CC(=CCC(=O)CCCC#N)C 1458a_100000075515_100000761012 [0,0,1,0,0,1|1,0,1]=4 1782 B11R0.46 CC(=CCC(=O)CCCC#N)C 1458a_100011220947_100000211468 [0,0,1,0,0,1|1,0,1]=4 1783 B11R0.46 CC(=CCC(=O)CCCCF)C 1458a_100011220947_100000729493 [0,0,1,0,0,1|1,0,0]=3 1784 B11R0.46 CC(=CCC(=O)CCCCO)C 1458a_100000695505_100000761012 [0,0,1,0,0,1|1,0,0]=3 1785 B11R0.46 CC(=CCC(=O)CCCCO)C 1458a_100011220947_100000210776 [0,0,1,0,0,1|1,0,0]=3 1786 B11R0.46 CC(=CCC(=O)COCCO)C 1458a_100000708028_100000761012 [0,0,1,0,0,1|2,0,0]=4 1787 B11R0.46 CC(=CCC(=O)NCCCF)C 11a_100015189416_100011220947 [0,0,1,0,0,1|2,0,0]=4 1788 B11R0.46 CC(=CCC(=O)NCCCF)C 1626a_100015189416_100011220947 [0,0,1,0,0,1|2,0,0]=4 1789 B11R0.46 CC(=CCC(=O)NCCCF)C 240690a_100015189416_100011220947 [0,0,1,0,0,1|2,0,0]=4 1790 B11R0.46 CC(=CCC(=O)NCCCF)C 527a_100015189416_100011220947 [0,0,1,0,0,1|2,0,0]=4 1791 B11R0.46 CC(=CCC(=O)NCCCO)C 240690a_100000182051_100011220947 [0,0,1,0,0,1|2,0,0]=4 1792 B11R0.46 CC(=CCC(=O)NCCCO)C 527a_100000182051_100011220947 [0,0,1,0,0,1|2,0,0]=4 1793 B11R0.46 CC(C)C=CC(=O)CCCCF 1458a_100016268746_100000729493 [0,0,1,0,0,1|1,0,1]=4 1794 B11R0.46 CC(C)C=CC(=O)CCCCO 1458a_100016268746_100000210776 [0,0,1,0,0,1|1,0,1]=4 1795 B11R0.46 CC/C=C/CC(=O)CC=C(C)C 1458a_100016274230_100000761012 [0,0,1,0,0,1|0,0,2]=4 1796 B11R0.46 CC/C=C\CC(=O)CC=C(C)C 1458a_100011220947_100103147603 [0,0,1,0,0,1|0,0,2]=4 1797 B11R0.46 CCC#CCC(=O)CC=C(C)C 1458a_100011220947_100009813939 [0,0,1,0,0,1|0,0,2]=4 1798 B11R0.46 CCCC#CC(=O)CC=C(C)C 1458a_200011218047_100000761012 [0,0,1,0,0,1|0,0,2]=4 1799 B11R0.46 CCCC=CC(=O)CC=C(C)C 1458a_100000212230_100000761012 [0,0,1,0,0,1|0,0,2]=4 1800 B11R0.46 CCCCCC(=NNC(=O)C)C 4a_100000189765_100000211708 [0,0,1,0,0,1|1,0,0]=3 1801 B11R0.46 CCCCCC(=O)C=CC(C)C 1458a_100016268746_100000210326 [0,0,1,0,0,1|0,0,1]=3 1802 B11R0.46 CCCCCC(=O)CC=C(C)C 1458a_100000212188_100000761012 [0,0,1,0,0,1|0,0,0]=2 1803 B11R0.46 CCCCCC(=O)CC=C(C)C 1458a_100011220947_100000210326 [0,0,1,0,0,1|0,0,0]=2 1804 B11R0.46 CCCCCC(=O)CCC(C)C 1458a_100000181311_100000210326 [0,0,1,0,0,1|0,0,2]=4 1805 B11R0.46 CCCCCC(=O)CCC(C)C 1458a_100000212188_100000210312 [0,0,1,0,0,1|0,0,2]=4 1806 B11R0.46 CCCCCC(=O)CC[S+](C)C 1458a_100009452791_100000210326 [0,0,1,0,0,1|1,0,1]=4 1807 B11R0.46 CCCCCC(=O)CNC(=O)C 1458a_100000194580_100000210326 [0,0,1,0,0,1|1,0,1]=4 1808 B11R0.46 CCCCCC(=O)CNC(C)C 2230a_100138425928_200012276598 [0,0,1,0,0,1|0,0,2]=4 1809 B11R0.46 CCCCCC(=O)CNC(C)C 34a_100138425928_200012276598 [0,0,1,0,0,1|0,0,2]=4 1810 B11R0.46 CCCCCC(=O)COC(=O)C 1458a_100000183556_100000210326 [0,0,1,0,0,1|1,0,1]=4 1811 B11R0.46 CCCCCC(=O)COC(C)C 1458a_100000745533_100000210326 [0,0,1,0,0,1|0,0,2]=4 1812 B11R0.46 CCCCCC(=O)COC(C)C 34a_100000212225_200012276598 [0,0,1,0,0,1|0,0,2]=4 1813 B11R0.46 CCCCCC(=O)CSC(=O)C 1458a_100000049016_100000210326 [0,0,1,0,0,1|1,0,1]=4 1814 B11R0.46 CCCCCC(=O)CSC(C)C 1458a_100000241585_100000210326 [0,0,1,0,0,1|0,0,2]=4 1815 B11R0.46 CCCCCC(=O)CSC(C)C 62a_100000210206_200012276598 [0,0,1,0,0,1|0,0,2]=4 1816 B11R0.46 CCCCCC(=O)CSC(C)C 62a_200012276598_100000210206 [0,0,1,0,0,1|0,0,2]=4 1817 B11R0.46 CCCCCC(=O)NCC(C)C 11a_100000210953_100000212188 [0,0,1,0,0,1|0,0,2]=4 1818 B11R0.46 CCCCCC(=O)NCC(C)C 1626a_100000210953_100000212188 [0,0,1,0,0,1|0,0,2]=4 1819 B11R0.46 CCCCCC(=O)NCC(C)C 240690a_100000210953_100000212188 [0,0,1,0,0,1|0,0,2]=4 1820 B11R0.46 CCCCCC(=O)NCC(C)C 527a_100000210953_100000212188 [0,0,1,0,0,1|0,0,2]=4 1821 B11R0.46 CCCCCC(=O)NNC(=O)C 22a_100000189765_100000212188 [0,0,1,0,0,1|2,0,0]=4 1822 B11R0.46 CCCCCC(=O)NNC(=O)C 22a_100000189784_100000070787 [0,0,1,0,0,1|2,0,0]=4 1823 B11R0.46 CCCCCC(=O)NNC(C)C 22a_100000741168_100000212188 [0,0,1,0,0,1|1,0,1]=4 1824 B11R0.46 CCCCCC(C)CCC(=O)C 1458a_100000034243_200000210301 [0,0,1,0,0,1|0,0,2]=4 1825 B11R0.46 CCCCCC(C)CCC(=O)[13CH3] 1458a_100000034243_200025704644 [0,0,1,0,0,1|0,0,2]=4 1826 B11R0.46 CCCCCC(C)OCC(=O)C 34a_100000211253_200011218191 [0,0,1,0,0,1|0,0,2]=4 1827 B11R0.46 CCCCCN(C)CC=C(C)C 2230a_100000223495_100000761012 [0,0,1,0,0,1|2,0,0]=4 1828 B11R0.46 CCCCCN(C)CC=C(C)C 269982a_100000223495_100000761012 [0,0,1,0,0,1|2,0,0]=4 1829 B11R0.46 CCCCCN(C)CCC(=O)C 1458a_100016987678_200000210301 [0,0,1,0,0,1|1,0,1]=4 1830 B11R0.46 CCCCCN(C)CCC(=O)C 269982a_100000223495_100000053229 [0,0,1,0,0,1|1,0,1]=4 1831 B11R0.46 CCCCCN(C)CCC(=O)[13CH3] 1458a_100016987678_200025704644 [0,0,1,0,0,1|1,0,1]=4 1832 B11R0.46 CCCCCN(C)COC(=O)C 269982a_100000223495_100000076356 [0,0,1,0,0,1|1,0,1]=4 1833 B11R0.46 CCCCNC(=O)C=CC(C)C 11a_100000102301_100016268746 [0,0,1,0,0,1|1,0,1]=4 1834 B11R0.46 CCCCNC(=O)C=CC(C)C 1626a_100000102301_100016268746 [0,0,1,0,0,1|1,0,1]=4 1835 B11R0.46 CCCCNC(=O)C=CC(C)C 240690a_100000102301_100016268746 [0,0,1,0,0,1|1,0,1]=4 1836 B11R0.46 CCCCNC(=O)CC=C(C)C 11a_100000102301_100011220947 [0,0,1,0,0,1|1,0,0]=3 1837 B11R0.46 CCCCNC(=O)CC=C(C)C 1626a_100000102301_100011220947 [0,0,1,0,0,1|1,0,0]=3 1838 B11R0.46 CCCCNC(=O)CC=C(C)C 240690a_100000102301_100011220947 [0,0,1,0,0,1|1,0,0]=3 1839 B11R0.46 CCCCNC(=O)CC=C(C)C 527a_100000102301_100011220947 [0,0,1,0,0,1|1,0,0]=3 1840 B11R0.46 CCCNNC(=O)CC=C(C)C 22a_100000740057_100011220947 [0,0,1,0,0,1|2,0,0]=4 1841 B11R0.46 CCCOCC(=O)CC=C(C)C 1458a_100000745993_100000761012 [0,0,1,0,0,1|1,0,0]=3 1842 B11R0.46 CCCSCC(=NNC(=O)C)C 4a_100000189765_100011343953 [0,0,1,0,0,1|2,0,0]=4 1843 B11R0.46 CCCSCC(=O)CC=C(C)C 1458a_100000217233_100000761012 [0,0,1,0,0,1|1,0,0]=3 1844 B11R0.46 CCOCCC(=NNC(=O)C)C 4a_100000189765_200011216536 [0,0,1,0,0,1|2,0,0]=4 1845 B11R0.46 CCOCCC(=O)C=CC(C)C 1458a_100016268746_100011215890 [0,0,1,0,0,1|1,0,1]=4 1846 B11R0.46 CCOCCC(=O)CC=C(C)C 1458a_100000749530_100000761012 [0,0,1,0,0,1|1,0,0]=3 1847 B11R0.46 CCOCCC(=O)CC=C(C)C 1458a_100011220947_100011215890 [0,0,1,0,0,1|1,0,0]=3 1848 B11R0.46 CCSCCC(=O)C=CC(C)C 1458a_100016268746_100000757381 [0,0,1,0,0,1|1,0,1]=4 1849 B11R0.46 CCSCCC(=O)CC=C(C)C 1458a_100000230768_100000761012 [0,0,1,0,0,1|1,0,0]=3 1850 B11R0.46 CCSCCC(=O)CC=C(C)C 1458a_100011220947_100000757381 [0,0,1,0,0,1|1,0,0]=3 1851 B11R0.46 COCCCC(=O)C=CC(C)C 1458a_100016268746_100000740836 [0,0,1,0,0,1|1,0,1]=4 1852 B11R0.46 COCCCC(=O)CC=C(C)C 1458a_100000741012_100000761012 [0,0,1,0,0,1|1,0,0]=3 1853 B11R0.46 COCCCC(=O)CC=C(C)C 1458a_100011220947_100000740836 [0,0,1,0,0,1|1,0,0]=3 1854 B11R0.46 COCCNC(=O)CC=C(C)C 1626a_100000209980_100011220947 [0,0,1,0,0,1|2,0,0]=4 1855 B11R0.46 COCCNC(=O)CC=C(C)C 240690a_100000209980_100011220947 [0,0,1,0,0,1|2,0,0]=4 1856 B11R0.46 COCCNC(=O)CC=C(C)C 527a_100000209980_100011220947 [0,0,1,0,0,1|2,0,0]=4 1857 B11R0.46 CSCCCC(=NNC(=O)C)C 4a_100000189765_100011399439 [0,0,1,0,0,1|2,0,0]=4 1858 B11R0.46 CSCCCC(=O)CC=C(C)C 1458a_100000173376_100000761012 [0,0,1,0,0,1|1,0,0]=3 1859 B11R0.46 CSCCNC(=O)CC=C(C)C 11a_100020590264_100011220947 [0,0,1,0,0,1|2,0,0]=4 1860 B11R0.46 CSCCNC(=O)CC=C(C)C 1626a_100020590264_100011220947 [0,0,1,0,0,1|2,0,0]=4 1861 B11R0.46 CSCCNC(=O)CC=C(C)C 240690a_100020590264_100011220947 [0,0,1,0,0,1|2,0,0]=4 1862 B11R0.46 CSCCNC(=O)CC=C(C)C 527a_100020590264_100011220947 [0,0,1,0,0,1|2,0,0]=4 1863 B11R0.280 C/C=C/C(CCC)OCC(=O)N 34a_200016264281_100000187820 [0,0,1,0,0,1|1,0,1]=4 1864 B11R0.280 C/C=C/C(CCC)OCC(=O)N 7a_200016264281_100000187820 [0,0,1,0,0,1|1,0,1]=4 1865 B11R0.280 C/C=C/C(CCC)OCC(=O)[O-] 34a_200016264281_100020667443 [0,0,1,0,0,1|1,0,1]=4 1866 B11R0.280 C=C(C)CNC(CCC)CCC 2230a_100011207992_100000748629 [0,0,1,0,0,1|1,0,1]=4 1867 B11R0.280 C=C(C)CNC(CCC)CCC 34a_100011207992_100000748629 [0,0,1,0,0,1|1,0,1]=4 1868 B11R0.280 C=C(C)CN[C@@H](CCC)CCO 2230a_100015193777_100000748629 [0,0,1,0,0,1|0,0,2]=4 1869 B11R0.280 C=C(C)CN[C@@H](CCC)CCO 34a_100015193777_100000748629 [0,0,1,0,0,1|0,0,2]=4 1870 B11R0.280 C=C(C)COC(/C=C/C)CCC 34a_200016264281_100000748629 [0,0,1,0,0,1|1,0,1]=4 1871 B11R0.280 C=C(C)COC(/C=C/C)CCC 7a_200016264281_100000748629 [0,0,1,0,0,1|1,0,1]=4 1872 B11R0.280 C=C(C)COC(CCC)CCC 34a_100000210245_200011218217 [0,0,1,0,0,1|1,0,1]=4 1873 B11R0.280 C=C(C)COC(CCC)CCC 34a_200011218534_100000748629 [0,0,1,0,0,1|1,0,1]=4 1874 B11R0.280 C=C(C)COC(CCC)CCC 7a_200011218534_100000748629 [0,0,1,0,0,1|1,0,1]=4 1875 B11R0.280 C=C(C)CSC(CCC)CCC 62a_100000748629_200011218217 [0,0,1,0,0,1|1,0,1]=4 1876 B11R0.280 C=C(C)CSC(CCC)CCC 62a_200011218217_100000211660 [0,0,1,0,0,1|1,0,1]=4 1877 B11R0.280 C=C(F)CNC(CCC)CCC 2230a_100011207992_100009893438 [0,0,1,0,0,1|1,0,1]=4 1878 B11R0.280 C=C(F)CNC(CCC)CCC 34a_100011207992_100009893438 [0,0,1,0,0,1|1,0,1]=4 1879 B11R0.280 C=C(F)COC(/C=C/C)CCC 34a_200016264281_100009893438 [0,0,1,0,0,1|1,0,1]=4 1880 B11R0.280 C=C(F)COC(/C=C/C)CCC 7a_200016264281_100000042424 [0,0,1,0,0,1|1,0,1]=4 1881 B11R0.280 C=C(F)COC(CCC)CCC 34a_200010262243_200011218217 [0,0,1,0,0,1|1,0,1]=4 1882 B11R0.280 C=C(F)COC(CCC)CCC 34a_200011218534_100009893438 [0,0,1,0,0,1|1,0,1]=4 1883 B11R0.280 C=C(F)COC(CCC)CCC 7a_200011218534_100000042424 [0,0,1,0,0,1|1,0,1]=4 1884 B11R0.280 C=C(F)CSC(CCC)CCC 62a_100000042424_200011218217 [0,0,1,0,0,1|1,0,1]=4 1885 B11R0.280 C=C(F)CSC(CCC)CCC 62a_200011218217_100000042424 [0,0,1,0,0,1|1,0,1]=4 1886 B11R0.280 C=CCC(CCC)OCC(=C)C 34a_100011215139_100000748629 [0,0,1,0,0,1|1,0,0]=3 1887 B11R0.280 C=CCC(CCC)OCC(=C)C 7a_100011215139_100000748629 [0,0,1,0,0,1|1,0,0]=3 1888 B11R0.280 C=CCC(CCC)OCC(=C)F 34a_100011215139_100009893438 [0,0,1,0,0,1|1,0,1]=4 1889 B11R0.280 C=CCC(CCC)OCC(=C)F 7a_100011215139_100000042424 [0,0,1,0,0,1|1,0,1]=4 1890 B11R0.280 C=CCC(CCC)OCC(=O)N 34a_100011215139_100000187820 [0,0,1,0,0,1|1,0,1]=4 1891 B11R0.280 C=CCC(CCC)OCC(=O)N 7a_100011215139_100000187820 [0,0,1,0,0,1|1,0,1]=4 1892 B11R0.280 C=CCC(CCC)OCC(=O)[O-] 34a_100011215139_100020667443 [0,0,1,0,0,1|1,0,1]=4 1893 B11R0.280 CCCC(CCC)NCC(=O)N 2230a_100011207992_100000747473 [0,0,1,0,0,1|1,0,1]=4 1894 B11R0.280 CCCC(CCC)NCC(=O)N 34a_100011207992_100000187820 [0,0,1,0,0,1|1,0,1]=4 1895 B11R0.280 CCCC(CCC)NCC(=O)O 269956a_100016091260_200011218217 [0,0,1,0,0,1|1,0,1]=4 1896 B11R0.280 CCCC(CCC)NCC(=O)[O-] 34a_100011207992_100020667443 [0,0,1,0,0,1|1,0,1]=4 1897 B11R0.280 CCCC(CCC)OCC(=O)C 34a_100000211253_200011218217 [0,0,1,0,0,1|0,0,2]=4 1898 B11R0.280 CCCC(CCC)OCC(=O)N 34a_200011218534_100000187820 [0,0,1,0,0,1|1,0,1]=4 1899 B11R0.280 CCCC(CCC)OCC(=O)N 7a_200011218534_100000187820 [0,0,1,0,0,1|1,0,1]=4 1900 B11R0.280 CCCC(CCC)OCC(=O)[O-] 34a_200011218534_100020667443 [0,0,1,0,0,1|1,0,1]=4 1901 B11R0.280 CCCC(CCC)SCC(=O)N 62a_100000747473_200011218217 [0,0,1,0,0,1|1,0,1]=4 1902 B11R0.280 CCCC(CCC)SCC(=O)N 62a_200011218217_100000747473 [0,0,1,0,0,1|1,0,1]=4 1903 B11R0.280 CCCC(CCC)SCC(=O)[O-] 62a_100020667443_200011218217 [0,0,1,0,0,1|1,0,1]=4 1904 B11R0.280 CCCC(CCC)SCC(=O)[O-] 62a_200011218217_100020667443 [0,0,1,0,0,1|1,0,1]=4