0 B8R0.28 C=C(C)C=NNC(=O)C 4a_100000189765_100000210575 [0,0,0,0,0,0|2,0,1]=3 1 B8R0.28 C=C(C)CCNC(C)C 2230a_100138425928_100000730704 [0,0,0,0,0,0|3,0,1]=4 2 B8R0.28 C=C(C)CCNC(C)C 34a_100138425928_100000730704 [0,0,0,0,0,0|3,0,1]=4 3 B8R0.28 C=C(C)CCOC(C)C 34a_100000212225_100000730704 [0,0,0,0,0,0|3,0,1]=4 4 B8R0.28 C=C(C)CCOC(C)C 34a_100000764851_100000210206 [0,0,0,0,0,0|3,0,1]=4 5 B8R0.28 C=C(C)CCSC(C)C 62a_100000210206_100000730704 [0,0,0,0,0,0|1,0,3]=4 6 B8R0.28 C=C(C)CCSC(C)C 62a_100000730704_100000210206 [0,0,0,0,0,0|1,0,3]=4 7 B8R0.28 C=C(C)CNNC(=O)C 22a_100000729518_100000070787 [0,0,0,0,0,0|2,0,2]=4 8 B8R0.28 C=C(C)COCC(=O)C 34a_100000211253_100000748629 [0,0,0,0,0,0|2,0,2]=4 9 B8R0.28 CC(=CCCN(C)C)C 2230a_100102631434_100011217483 [0,0,0,0,0,0|3,0,0]=3 10 B8R0.28 CC(=CCCN(C)C)C 269982a_100102631434_100011217483 [0,0,0,0,0,0|3,0,0]=3 11 B8R0.28 CC(=CCNC(C)C)C 2230a_100138425928_100000761012 [0,0,0,0,0,0|2,0,1]=3 12 B8R0.28 CC(=CCNC(C)C)C 34a_100000718196_100000210206 [0,0,0,0,0,0|2,0,1]=3 13 B8R0.28 CC(=CCNC(C)C)C 34a_100138425928_100000761012 [0,0,0,0,0,0|2,0,1]=3 14 B8R0.28 CC(=CCOC(C)C)C 34a_100000212225_100000761012 [0,0,0,0,0,0|1,1,1]=3 15 B8R0.28 CC(=CCOC(C)C)C 34a_100000753907_100000210206 [0,0,0,0,0,0|1,1,1]=3 16 B8R0.28 CC(=CCSC(C)C)C 62a_100000210206_100000761012 [0,0,0,0,0,0|1,0,1]=2 17 B8R0.28 CC(=CCSC(C)C)C 62a_100000761012_100000210206 [0,0,0,0,0,0|1,0,1]=2 18 B8R0.28 CC(=O)C/C=C/C(C)C 1458a_100016292215_200000210301 [0,0,0,0,0,0|1,0,2]=3 19 B8R0.28 CC(=O)C=CCN(C)C 1458a_100000754359_200000210301 [0,0,0,0,0,0|2,0,2]=4 20 B8R0.28 CC(=O)CCC=C(C)C 1458a_100000070787_100011217483 [0,0,0,0,0,0|1,0,0]=1 21 B8R0.28 CC(=O)CCC=C(F)F 1458a_100000070787_200009816681 [0,0,0,0,0,0|3,0,0]=3 22 B8R0.28 CC(=O)CCCC(=O)C 1458a_100000070787_100011215641 [0,0,0,0,0,0|2,0,1]=3 23 B8R0.28 CC(=O)CCCC(=O)N 1458a_100000070787_100102525003 [0,0,0,0,0,0|3,0,1]=4 24 B8R0.28 CC(=O)CCCC(C)C 1458a_100000070787_100011214892 [0,0,0,0,0,0|1,0,2]=3 25 B8R0.28 CC(=O)CCCC(C)C 1458a_100011216857_200000210301 [0,0,0,0,0,0|1,0,2]=3 26 B8R0.28 CC(=O)CCCC(C)O 1458a_100000070787_200000718107 [0,0,0,0,0,0|2,0,2]=4 27 B8R0.28 CC(=O)CCCN(C)C 1458a_100000070787_100000695564 [0,0,0,0,0,0|2,0,1]=3 28 B8R0.28 CC(=O)CCCN(C)C 269982a_100102631434_100011215641 [0,0,0,0,0,0|2,0,1]=3 29 B8R0.28 CC(=O)CCN=C(N)N 1458a_100000033030_200000210301 [0,0,0,0,0,0|4,0,0]=4 30 B8R0.28 CC(=O)CCNC(=O)C 1458a_100000070787_100000189650 [0,0,0,0,0,0|2,0,1]=3 31 B8R0.28 CC(=O)CCNC(=O)C 1458a_100000183196_200000210301 [0,0,0,0,0,0|2,0,1]=3 32 B8R0.28 CC(=O)CCNC(=O)N 1458a_100000070787_200000034859 [0,0,0,0,0,0|3,0,1]=4 33 B8R0.28 CC(=O)CCNC(=O)N 1458a_100000181464_200000210301 [0,0,0,0,0,0|3,0,1]=4 34 B8R0.28 CC(=O)CCOC(=O)C 1458a_100000070787_100009814007 [0,0,0,0,0,0|1,1,1]=3 35 B8R0.28 CC(=O)CCOC(=O)N 1458a_100000070787_200011214921 [0,0,0,0,0,0|2,1,1]=4 36 B8R0.28 CC(=O)CCOC(C)C 1458a_100000070787_100000211751 [0,0,0,0,0,0|2,0,1]=3 37 B8R0.28 CC(=O)CCOC(C)C 34a_100000759926_100000210206 [0,0,0,0,0,0|2,0,1]=3 38 B8R0.28 CC(=O)CCOC(C)C 7a_100000759926_100000210206 [0,0,0,0,0,0|2,0,1]=3 39 B8R0.28 CC(=O)CCSC(=O)C 1458a_100000048949_200000210301 [0,0,0,0,0,0|1,0,1]=2 40 B8R0.28 CC(=O)CCSC(C)C 1458a_100000070787_100000730970 [0,0,0,0,0,0|2,0,1]=3 41 B8R0.28 CC(=O)CCSC(C)C 62a_100000053229_100000210206 [0,0,0,0,0,0|2,0,1]=3 42 B8R0.28 CC(=O)CCSC(C)C 62a_100000210206_100000053229 [0,0,0,0,0,0|2,0,1]=3 43 B8R0.28 CC(=O)COCC(C)C 1458a_100011223364_200000210301 [0,0,0,0,0,0|2,0,2]=4 44 B8R0.28 CC(=O)COCC(C)C 34a_100000211253_100000210624 [0,0,0,0,0,0|2,0,2]=4 45 B8R0.28 CC(=O)NCC=C(C)C 11a_100000718196_100015343762 [0,0,0,0,0,0|1,0,0]=1 46 B8R0.28 CC(=O)NCC=C(C)C 1626a_100000718196_100015343762 [0,0,0,0,0,0|1,0,0]=1 47 B8R0.28 CC(=O)NCC=C(C)C 527a_100000718196_100103153847 [0,0,0,0,0,0|1,0,0]=1 48 B8R0.28 CC(=O)NCCC(=O)N 11a_100000740010_100015343762 [0,0,0,0,0,0|3,0,1]=4 49 B8R0.28 CC(=O)NCCC(=O)N 240690a_100000740010_100015343762 [0,0,0,0,0,0|3,0,1]=4 50 B8R0.28 CC(=O)NCCC(=O)N 527a_100000740010_100103153847 [0,0,0,0,0,0|3,0,1]=4 51 B8R0.28 CC(=O)NCCC(=O)[13CH3] 1458a_100000183196_200025704644 [0,0,0,0,0,0|2,0,1]=3 52 B8R0.28 CC(=O)NCCC(C)C 11a_100000210545_100015343762 [0,0,0,0,0,0|1,0,2]=3 53 B8R0.28 CC(=O)NCCC(C)C 1626a_100000210545_100015343762 [0,0,0,0,0,0|1,0,2]=3 54 B8R0.28 CC(=O)NCCC(C)C 240690a_100000210545_100015343762 [0,0,0,0,0,0|1,0,2]=3 55 B8R0.28 CC(=O)NCCC(C)C 527a_100000210545_100103153847 [0,0,0,0,0,0|1,0,2]=3 56 B8R0.28 CC(=O)NCCC(C)O 240690a_200000755665_100015343762 [0,0,0,0,0,0|2,0,2]=4 57 B8R0.28 CC(=O)NCCC(C)O 527a_200000755665_100103153847 [0,0,0,0,0,0|2,0,2]=4 58 B8R0.28 CC(=O)NCCN(C)C 2230a_100102631434_100000189650 [0,0,0,0,0,0|2,0,1]=3 59 B8R0.28 CC(=O)NCCN(C)C 240690a_100000210585_100015343762 [0,0,0,0,0,0|2,0,1]=3 60 B8R0.28 CC(=O)NCCN(C)C 269982a_100102631434_100000189650 [0,0,0,0,0,0|2,0,1]=3 61 B8R0.28 CC(=O)NCCN(C)C 527a_100000210585_100103153847 [0,0,0,0,0,0|2,0,1]=3 62 B8R0.28 CC(=O)NN=CC(C)C 4a_100000189765_100000210432 [0,0,0,0,0,0|2,0,1]=3 63 B8R0.28 CC(=O)NNCC(C)C 22a_100000696102_100000070787 [0,0,0,0,0,0|2,0,2]=4 64 B8R0.28 CC(=O)OCCN(C)C 269982a_100102631434_100009814007 [0,0,0,0,0,0|1,1,1]=3 65 B8R0.28 CC(=O)OCNC(C)C 34a_100138425928_100009813279 [0,0,0,0,0,0|1,1,1]=3 66 B8R0.28 CC(=O)OCOC(C)C 34a_100000212225_100009813279 [0,0,0,0,0,0|1,1,1]=3 67 B8R0.28 CC(=O)OCSC(C)C 62a_100000076356_100000210206 [0,0,0,0,0,0|1,1,1]=3 68 B8R0.28 CC(=O)OCSC(C)C 62a_100000210206_100000076356 [0,0,0,0,0,0|1,1,1]=3 69 B8R0.28 CC(=O)SCCC(=O)[13CH3] 1458a_100000048949_200025704644 [0,0,0,0,0,0|1,0,1]=2 70 B8R0.28 CC(C)/C=C/CC(=O)[13CH3] 1458a_100016292215_200025704644 [0,0,0,0,0,0|1,0,2]=3 71 B8R0.28 CC(C)CCCC(=O)[13CH3] 1458a_100011216857_200025704644 [0,0,0,0,0,0|1,0,2]=3 72 B8R0.28 CC(C)CCSC(C)C 62a_100000210206_100000210312 [0,0,0,0,0,0|1,0,3]=4 73 B8R0.28 CC(C)CCSC(C)C 62a_100000210312_100000210206 [0,0,0,0,0,0|1,0,3]=4 74 B8R0.28 CC(C)COCC(=O)[13CH3] 1458a_100011223364_200025704644 [0,0,0,0,0,0|2,0,2]=4 75 B8R0.28 CC(C)NCCC(=O)N 2230a_100138425928_100000744528 [0,0,0,0,0,0|3,0,1]=4 76 B8R0.28 CC(C)NCCC(=O)N 34a_100138425928_100000731001 [0,0,0,0,0,0|3,0,1]=4 77 B8R0.28 CC(C)OCCC(=O)N 34a_100000212225_100000731001 [0,0,0,0,0,0|3,0,1]=4 78 B8R0.28 CC(C)OCCC(=O)N 34a_100000757172_100000210206 [0,0,0,0,0,0|3,0,1]=4 79 B8R0.28 CC(C)OCCC(=O)N 7a_100000757172_100000210206 [0,0,0,0,0,0|3,0,1]=4 80 B8R0.28 CC(C)OCSC(C)C 62a_100000210206_100000709892 [0,0,0,0,0,0|2,0,2]=4 81 B8R0.28 CC(C)OCSC(C)C 62a_100000709892_100000210206 [0,0,0,0,0,0|2,0,2]=4 82 B8R0.28 CC(C)SCCC(=O)N 62a_100000210206_100000744528 [0,0,0,0,0,0|3,0,1]=4 83 B8R0.28 CC(C)SCCC(=O)N 62a_100000744528_100000210206 [0,0,0,0,0,0|3,0,1]=4 84 B8R0.28 CC(C)SCCN(C)C 2230a_100102631434_100000730970 [0,0,0,0,0,0|2,0,2]=4 85 B8R0.28 CC(C)SCCN(C)C 269982a_100102631434_100000730970 [0,0,0,0,0,0|2,0,2]=4 86 B8R0.28 CC(C)SCCN(C)C 62a_100000210206_100000755713 [0,0,0,0,0,0|2,0,2]=4 87 B8R0.28 CN(C)CC=CC(=O)[13CH3] 1458a_100000754359_200025704644 [0,0,0,0,0,0|2,0,2]=4 88 B8R0.28 CN(C)CCCC(=O)N 269982a_100102631434_100102525003 [0,0,0,0,0,0|3,0,1]=4 89 B8R0.28 CN(C)CCCC(=O)O 269956a_100000719178_200000210301 [0,0,0,0,0,0|3,0,1]=4 90 B8R0.28 CN(C)CCNC(=O)N 2230a_100102631434_200000034859 [0,0,0,0,0,0|3,0,1]=4 91 B8R0.28 CN(C)CCNC(=O)N 269982a_100102631434_200000034859 [0,0,0,0,0,0|3,0,1]=4 92 B8R0.28 CN(C)CCOC(=O)N 269982a_100102631434_200011214921 [0,0,0,0,0,0|2,1,1]=4 93 B8R0.28 CN([13CH3])CCCC(=O)O 269956a_100000719178_200025704644 [0,0,0,0,0,0|3,0,1]=4 94 B8R0.28 [13CH3]C(=O)CCN=C(N)N 1458a_100000033030_200025704644 [0,0,0,0,0,0|4,0,0]=4 95 B8R0.28 [13CH3]C(=O)CCNC(=O)N 1458a_100000181464_200025704644 [0,0,0,0,0,0|3,0,1]=4 96 B7R0.4 C/C=C/C=CC(=O)C 1458a_100000185730_200000210301 [1,0,0,0,0,0|1,0,1]=3 97 B7R0.4 C/C=C/C=CC(=O)[13CH3] 1458a_100000185730_200025704644 [1,0,0,0,0,0|1,0,1]=3 98 B7R0.4 C/C=C/CNC(C)C 34a_100138425928_100102629194 [1,0,0,0,0,0|2,0,1]=4 99 B7R0.4 C/C=C/COC(C)C 34a_100000212225_100102629194 [1,0,0,0,0,0|1,1,1]=4 100 B7R0.4 C/C=C/COC(C)C 34a_100016270725_100000210206 [1,0,0,0,0,0|1,1,1]=4 101 B7R0.4 C/C=C/CSC(C)C 62a_100000210206_100102629194 [1,0,0,0,0,0|1,0,1]=3 102 B7R0.4 C/C=C/CSC(C)C 62a_100102629194_100000210206 [1,0,0,0,0,0|1,0,1]=3 103 B7R0.4 C=C(C)CCSCC 62a_100000210202_100000730704 [1,0,0,0,0,0|0,0,3]=4 104 B7R0.4 C=C(C)CCSCC 62a_100000730704_100000210202 [1,0,0,0,0,0|0,0,3]=4 105 B7R0.4 C=CCCCC(=O)C 1458a_100000070787_100000757094 [1,0,0,0,0,0|1,0,2]=4 106 B7R0.4 C=CCCCC(=O)C 1458a_100000766728_200000210301 [1,0,0,0,0,0|1,0,2]=4 107 B7R0.4 C=CCCCC(=O)[13CH3] 1458a_100000766728_200025704644 [1,0,0,0,0,0|1,0,2]=4 108 B7R0.4 C=CCCNC(=O)C 11a_100015191253_100015343762 [1,0,0,0,0,0|1,0,2]=4 109 B7R0.4 C=CCCNC(=O)C 1626a_100015191253_100015343762 [1,0,0,0,0,0|1,0,2]=4 110 B7R0.4 C=CCCNC(=O)C 240690a_100015191253_100015343762 [1,0,0,0,0,0|1,0,2]=4 111 B7R0.4 C=CCCNC(=O)C 527a_100015191253_100103153847 [1,0,0,0,0,0|1,0,2]=4 112 B7R0.4 C=COCCC(=O)C 1458a_100000070787_100000039644 [1,0,0,0,0,0|2,0,1]=4 113 B7R0.4 CC#CCNC(=O)C 11a_100000685387_100015343762 [1,0,0,0,0,0|1,0,2]=4 114 B7R0.4 CC#CCNC(=O)C 1626a_100000685387_100015343762 [1,0,0,0,0,0|1,0,2]=4 115 B7R0.4 CC#CCNC(=O)C 527a_100000685387_100103153847 [1,0,0,0,0,0|1,0,2]=4 116 B7R0.4 CC(=CCCS[13CH3])C 62a_100011217483_200025704644 [1,0,0,0,0,0|2,0,0]=3 117 B7R0.4 CC(=CCCS[13CH3])C 62a_200025704644_100011217483 [1,0,0,0,0,0|2,0,0]=3 118 B7R0.4 CC(=CCNCF)C 34a_100000718196_100015361967 [1,0,0,0,0,0|2,0,1]=4 119 B7R0.4 CC(=CCOCF)C 34a_100000753907_100015361967 [1,0,0,0,0,0|1,1,1]=4 120 B7R0.4 CC(=CCSCF)C 62a_100000761012_100015361967 [1,0,0,0,0,0|1,0,1]=3 121 B7R0.4 CC(=CCSCF)C 62a_100015361967_100000761012 [1,0,0,0,0,0|1,0,1]=3 122 B7R0.4 CC(=O)CCCO[13CH3] 34a_100000759063_200025704644 [1,0,0,0,0,0|2,0,1]=4 123 B7R0.4 CC(=O)CCCO[13CH3] 7a_100000759063_200025704644 [1,0,0,0,0,0|2,0,1]=4 124 B7R0.4 CC(=O)CCCS[13CH3] 62a_100011215641_200025704644 [1,0,0,0,0,0|2,0,1]=4 125 B7R0.4 CC(=O)CCCS[13CH3] 62a_200025704644_100011215641 [1,0,0,0,0,0|2,0,1]=4 126 B7R0.4 CC(=O)NCCN[13CH3] 2230a_100000209853_200025704644 [1,0,0,0,0,0|2,0,1]=4 127 B7R0.4 CC(=O)NCCO[13CH3] 34a_100000158858_200025704644 [1,0,0,0,0,0|2,0,1]=4 128 B7R0.4 CC(=O)NCCS[13CH3] 62a_100000189650_200025704644 [1,0,0,0,0,0|2,0,1]=4 129 B7R0.4 CC(=O)NCCS[13CH3] 62a_200025704644_100000189650 [1,0,0,0,0,0|2,0,1]=4 130 B7R0.4 CC(=O)OCCS[13CH3] 62a_100009814007_200025704644 [1,0,0,0,0,0|1,1,1]=4 131 B7R0.4 CC(=O)OCCS[13CH3] 62a_200025704644_100009814007 [1,0,0,0,0,0|1,1,1]=4 132 B7R0.4 CC/C=C/CC(=O)C 1458a_100016274230_200000210301 [1,0,0,0,0,0|1,0,2]=4 133 B7R0.4 CC/C=C/CC(=O)[13CH3] 1458a_100016274230_200025704644 [1,0,0,0,0,0|1,0,2]=4 134 B7R0.4 CC/C=C\CC(=O)C 1458a_100000070787_100103147603 [1,0,0,0,0,0|1,0,2]=4 135 B7R0.4 CC=CCNC(C)C 2230a_100138425928_100000070051 [1,0,0,0,0,0|2,0,1]=4 136 B7R0.4 CC=CCNC(C)C 34a_100138425928_100000070051 [1,0,0,0,0,0|2,0,1]=4 137 B7R0.4 CC=CCOC(C)C 34a_100000212225_100000070051 [1,0,0,0,0,0|1,1,1]=4 138 B7R0.4 CC=CCSC(C)C 62a_100000070051_100000210206 [1,0,0,0,0,0|1,0,1]=3 139 B7R0.4 CC=CCSC(C)C 62a_100000210206_100000070051 [1,0,0,0,0,0|1,0,1]=3 140 B7R0.4 CCC=NNC(=O)C 4a_100000189765_100000210100 [1,0,0,0,0,0|2,0,1]=4 141 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [1,0,0,0,0,0|1,0,2]=4 142 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [1,0,0,0,0,0|1,0,2]=4 143 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [1,0,0,0,0,0|1,0,2]=4 144 B7R0.4 CCCCNC(=O)C 11a_100000102301_100015343762 [1,0,0,0,0,0|1,0,2]=4 145 B7R0.4 CCCCNC(=O)C 1626a_100000102301_100015343762 [1,0,0,0,0,0|1,0,2]=4 146 B7R0.4 CCCCNC(=O)C 240690a_100000102301_100015343762 [1,0,0,0,0,0|1,0,2]=4 147 B7R0.4 CCCCNC(=O)C 527a_100000102301_100103153847 [1,0,0,0,0,0|1,0,2]=4 148 B7R0.4 CCNCC=C(C)C 2230a_100015525214_100000761012 [1,0,0,0,0,0|1,0,1]=3 149 B7R0.4 CCNCC=C(C)C 34a_100000718196_100000210202 [1,0,0,0,0,0|1,0,1]=3 150 B7R0.4 CCOCC=C(C)C 34a_100000753907_100000210202 [1,0,0,0,0,0|0,1,1]=3 151 B7R0.4 CCOCC=C(C)C 34a_100121572206_100000761012 [1,0,0,0,0,0|0,1,1]=3 152 B7R0.4 CCOCCC(=O)C 1458a_100000070787_100011215890 [1,0,0,0,0,0|2,0,1]=4 153 B7R0.4 CCOCCC(=O)C 1458a_100000749530_200000210301 [1,0,0,0,0,0|2,0,1]=4 154 B7R0.4 CCOCCC(=O)C 34a_100000759926_100000210202 [1,0,0,0,0,0|2,0,1]=4 155 B7R0.4 CCOCCC(=O)C 7a_100000759926_100000210202 [1,0,0,0,0,0|2,0,1]=4 156 B7R0.4 CCOCCC(=O)[13CH3] 1458a_100000749530_200025704644 [1,0,0,0,0,0|2,0,1]=4 157 B7R0.4 CCOCOC(=O)C 34a_100121572206_100009813279 [1,0,0,0,0,0|1,1,1]=4 158 B7R0.4 CCSCC=C(C)C 62a_100000210202_100000761012 [1,0,0,0,0,0|0,0,1]=2 159 B7R0.4 CCSCC=C(C)C 62a_100000761012_100000210202 [1,0,0,0,0,0|0,0,1]=2 160 B7R0.4 CCSCCC(=O)C 1458a_100000070787_100000757381 [1,0,0,0,0,0|1,0,2]=4 161 B7R0.4 CCSCCC(=O)C 1458a_100000230768_200000210301 [1,0,0,0,0,0|1,0,2]=4 162 B7R0.4 CCSCCC(=O)C 62a_100000053229_100000210202 [1,0,0,0,0,0|1,0,2]=4 163 B7R0.4 CCSCCC(=O)C 62a_100000210202_100000053229 [1,0,0,0,0,0|1,0,2]=4 164 B7R0.4 CCSCCC(=O)[13CH3] 1458a_100000230768_200025704644 [1,0,0,0,0,0|1,0,2]=4 165 B7R0.4 CCSCCC(C)C 62a_100000210202_100000210312 [1,0,0,0,0,0|0,0,3]=4 166 B7R0.4 CCSCCC(C)C 62a_100000210312_100000210202 [1,0,0,0,0,0|0,0,3]=4 167 B7R0.4 CCSCCN(C)C 2230a_100102631434_100000757381 [1,0,0,0,0,0|1,0,2]=4 168 B7R0.4 CCSCCN(C)C 269982a_100102631434_100000757381 [1,0,0,0,0,0|1,0,2]=4 169 B7R0.4 CCSCCN(C)C 62a_100000210202_100000755713 [1,0,0,0,0,0|1,0,2]=4 170 B7R0.4 CCSCOC(=O)C 62a_100000076356_100000210202 [1,0,0,0,0,0|1,1,1]=4 171 B7R0.4 CCSCOC(=O)C 62a_100000210202_100000076356 [1,0,0,0,0,0|1,1,1]=4 172 B7R0.4 CCSCOC(C)C 62a_100000210202_100000709892 [1,0,0,0,0,0|1,0,2]=4 173 B7R0.4 CCSCOC(C)C 62a_100000709892_100000210202 [1,0,0,0,0,0|1,0,2]=4 174 B7R0.4 CN(C)CCCC=O 2230a_100102631434_200011292268 [1,0,0,0,0,0|2,0,1]=4 175 B7R0.4 CN(C)CCCC=O 269982a_100102631434_200011292268 [1,0,0,0,0,0|2,0,1]=4 176 B7R0.4 CNCCC=C(C)C 2230a_106832991635_100011217483 [1,0,0,0,0,0|2,0,0]=3 177 B7R0.4 CNCCC=C(C)C 34a_100102657272_100011217483 [1,0,0,0,0,0|2,0,0]=3 178 B7R0.4 CNCCC=C(C)C 7a_106832991635_100011217483 [1,0,0,0,0,0|2,0,0]=3 179 B7R0.4 CNCCCC(=O)C 34a_100102657272_100000685027 [1,0,0,0,0,0|2,0,1]=4 180 B7R0.4 CNCCCC(=O)C 7a_106832991635_100011215641 [1,0,0,0,0,0|2,0,1]=4 181 B7R0.4 CNCCNC(=O)C 2230a_100000209853_200000210301 [1,0,0,0,0,0|2,0,1]=4 182 B7R0.4 CNCCNC(=O)C 2230a_106832991635_100000189650 [1,0,0,0,0,0|2,0,1]=4 183 B7R0.4 CNCCNC(=O)C 7a_106832991635_100000189650 [1,0,0,0,0,0|2,0,1]=4 184 B7R0.4 CNCCOC(=O)C 34a_100102657272_100009814007 [1,0,0,0,0,0|1,1,1]=4 185 B7R0.4 CNCCOC(=O)C 7a_106832991635_100009814007 [1,0,0,0,0,0|1,1,1]=4 186 B7R0.4 COCCC=C(C)C 34a_100138415774_100011217483 [1,0,0,0,0,0|2,0,0]=3 187 B7R0.4 COCCCC(=O)C 1458a_100000070787_100000740836 [1,0,0,0,0,0|2,0,1]=4 188 B7R0.4 COCCCC(=O)C 1458a_100000741012_200000210301 [1,0,0,0,0,0|2,0,1]=4 189 B7R0.4 COCCCC(=O)C 34a_100000759063_200000210301 [1,0,0,0,0,0|2,0,1]=4 190 B7R0.4 COCCCC(=O)C 34a_100138415774_100000685027 [1,0,0,0,0,0|2,0,1]=4 191 B7R0.4 COCCCC(=O)C 7a_100000759063_200000210301 [1,0,0,0,0,0|2,0,1]=4 192 B7R0.4 COCCCC(=O)[13CH3] 1458a_100000741012_200025704644 [1,0,0,0,0,0|2,0,1]=4 193 B7R0.4 COCCNC(=O)C 1626a_100000209980_100015343762 [1,0,0,0,0,0|2,0,1]=4 194 B7R0.4 COCCNC(=O)C 240690a_100000209980_100015343762 [1,0,0,0,0,0|2,0,1]=4 195 B7R0.4 COCCNC(=O)C 34a_100000158858_200000210301 [1,0,0,0,0,0|2,0,1]=4 196 B7R0.4 COCCNC(=O)C 527a_100000209980_100103153847 [1,0,0,0,0,0|2,0,1]=4 197 B7R0.4 COCCOC(=O)C 34a_100138415774_100009814007 [1,0,0,0,0,0|1,1,1]=4 198 B7R0.4 CSCCC=C(C)C 62a_100011217483_200000210301 [1,0,0,0,0,0|2,0,0]=3 199 B7R0.4 CSCCC=C(C)C 62a_200000210301_100011217483 [1,0,0,0,0,0|2,0,0]=3 200 B7R0.4 CSCCCC(=O)C 1458a_100000173376_200000210301 [1,0,0,0,0,0|2,0,1]=4 201 B7R0.4 CSCCCC(=O)C 62a_100011215641_200000210301 [1,0,0,0,0,0|2,0,1]=4 202 B7R0.4 CSCCCC(=O)C 62a_200000210301_100011215641 [1,0,0,0,0,0|2,0,1]=4 203 B7R0.4 CSCCCC(=O)[13CH3] 1458a_100000173376_200025704644 [1,0,0,0,0,0|2,0,1]=4 204 B7R0.4 CSCCNC(=O)C 11a_100020590264_100015343762 [1,0,0,0,0,0|2,0,1]=4 205 B7R0.4 CSCCNC(=O)C 1626a_100020590264_100015343762 [1,0,0,0,0,0|2,0,1]=4 206 B7R0.4 CSCCNC(=O)C 240690a_100020590264_100015343762 [1,0,0,0,0,0|2,0,1]=4 207 B7R0.4 CSCCNC(=O)C 527a_100020590264_100103153847 [1,0,0,0,0,0|2,0,1]=4 208 B7R0.4 CSCCNC(=O)C 62a_100000189650_200000210301 [1,0,0,0,0,0|2,0,1]=4 209 B7R0.4 CSCCNC(=O)C 62a_200000210301_100000189650 [1,0,0,0,0,0|2,0,1]=4 210 B7R0.4 CSCCOC(=O)C 62a_100009814007_200000210301 [1,0,0,0,0,0|1,1,1]=4 211 B7R0.4 CSCCOC(=O)C 62a_200000210301_100009814007 [1,0,0,0,0,0|1,1,1]=4 212 B9R0.1 C#CC(=O)CCC=C(C)C 1458a_100000211873_100011217483 [0,1,0,0,0,0|1,0,1]=3 213 B9R0.1 C#CC(C)NCC=C(C)C 2230a_100000707721_100000761012 [0,1,0,0,0,0|2,0,1]=4 214 B9R0.1 C#CC(C)NCC=C(C)C 34a_100000707721_100000761012 [0,1,0,0,0,0|2,0,1]=4 215 B9R0.1 C#CC(C)NCC=C(C)C 34a_100000718196_200000035995 [0,1,0,0,0,0|2,0,1]=4 216 B9R0.1 C#CC(C)OCC=C(C)C 34a_100000753907_200000035995 [0,1,0,0,0,0|1,1,1]=4 217 B9R0.1 C#CC(C)SCC=C(C)C 62a_200000035995_100000761012 [0,1,0,0,0,0|1,0,1]=3 218 B9R0.1 C#C[C@@H](C)OCC=C(C)C 34a_100009815206_100000761012 [0,1,0,0,0,0|1,1,1]=4 219 B9R0.1 C#C[C@@H](C)OCC=C(C)C 7a_100009815206_100000761012 [0,1,0,0,0,0|1,1,1]=4 220 B9R0.1 C/C=C(\C)/C=NNC(=O)C 4a_100000189765_100020587592 [0,1,0,0,0,0|2,0,0]=3 221 B9R0.1 C=C(C)C=NNC(=O)CC 4a_100000183195_100000210575 [0,1,0,0,0,0|2,0,1]=4 222 B9R0.1 C=CC(=O)CCC=C(C)C 1458a_100000185746_100011217483 [0,1,0,0,0,0|1,0,1]=3 223 B9R0.1 C=CC(=O)NCC=C(C)C 1626a_100000718196_100000185746 [0,1,0,0,0,0|1,0,1]=3 224 B9R0.1 C=CC(C)OCC=C(C)C 34a_100000695699_100000761012 [0,1,0,0,0,0|1,1,1]=4 225 B9R0.1 C=CC(C)SCC=C(C)C 62a_100011215867_100000761012 [0,1,0,0,0,0|1,0,1]=3 226 B9R0.1 CC(=CCCC(=O)CO)C 1458a_100000210174_100011217483 [0,1,0,0,0,0|1,0,0]=2 227 B9R0.1 CC(=CCCC(C)O[13CH3])C 34a_100102619829_200025704644 [0,1,0,0,0,0|1,0,2]=4 228 B9R0.1 CC(=CCCC(C)O[13CH3])C 7a_100102619829_200025704644 [0,1,0,0,0,0|1,0,2]=4 229 B9R0.1 CC(=CCNC(=O)CO)C 527a_100000718196_100000210174 [0,1,0,0,0,0|1,0,0]=2 230 B9R0.1 CC(=CCNC(C)C#N)C 2230a_100000737613_100000761012 [0,1,0,0,0,0|2,0,1]=4 231 B9R0.1 CC(=CCNC(C)CO)C 34a_100000718196_100012180447 [0,1,0,0,0,0|1,0,2]=4 232 B9R0.1 CC(=CCN[C@H](C)CO)C 2230a_100000737577_100000761012 [0,1,0,0,0,0|1,0,2]=4 233 B9R0.1 CC(=CCOC(C)C#N)C 34a_100011218135_100000761012 [0,1,0,0,0,0|1,1,1]=4 234 B9R0.1 CC(=CCOC(C)CF)C 34a_100016041109_100000761012 [0,1,0,0,0,0|1,1,1]=4 235 B9R0.1 CC(=CCOC(C)CF)C 7a_100016041109_100000761012 [0,1,0,0,0,0|1,1,1]=4 236 B9R0.1 CC(=CCOC(C)CN)C 34a_100000210904_100000761012 [0,1,0,0,0,0|1,1,1]=4 237 B9R0.1 CC(=CCOC(C)CO)C 34a_100000753907_100012180447 [0,1,0,0,0,0|0,1,2]=4 238 B9R0.1 CC(=CCSC(C)C#N)C 62a_100000703298_100000761012 [0,1,0,0,0,0|1,0,1]=3 239 B9R0.1 CC(=CCSC(C)C#N)C 62a_100000761012_100000703298 [0,1,0,0,0,0|1,0,1]=3 240 B9R0.1 CC(=CCSC(C)CO)C 62a_100012180447_100000761012 [0,1,0,0,0,0|0,0,2]=3 241 B9R0.1 CC(=CCSC(F)C#N)C 62a_100000761012_200000117898 [0,1,0,0,0,0|1,0,2]=4 242 B9R0.1 CC(=CCSC(F)C#N)C 62a_200000117898_100000761012 [0,1,0,0,0,0|1,0,2]=4 243 B9R0.1 CC(=CCS[C@H](C)CO)C 62a_100000761012_100016084084 [0,1,0,0,0,0|0,0,2]=3 244 B9R0.1 CC(=CCS[C@H](C)CO)C 62a_100016084084_100000761012 [0,1,0,0,0,0|0,0,2]=3 245 B9R0.1 CC(=O)CCCC(=O)CO 1458a_100000210174_100011215641 [0,1,0,0,0,0|2,0,1]=4 246 B9R0.1 CC(=O)CCOC(C)CF 7a_100016041109_100000053229 [0,1,0,0,0,0|2,0,1]=4 247 B9R0.1 CC(=O)CCOC(C)CO 34a_100000759926_100012180447 [0,1,0,0,0,0|2,0,1]=4 248 B9R0.1 CC(=O)CCOC(C)CO 7a_100000759926_100012180447 [0,1,0,0,0,0|2,0,1]=4 249 B9R0.1 CC(=O)CCSC(C)CO 62a_100012180447_100000053229 [0,1,0,0,0,0|2,0,1]=4 250 B9R0.1 CC(=O)CCS[C@H](C)CO 62a_100000053229_100016084084 [0,1,0,0,0,0|2,0,1]=4 251 B9R0.1 CC(=O)CCS[C@H](C)CO 62a_100016084084_100000053229 [0,1,0,0,0,0|2,0,1]=4 252 B9R0.1 CC(=O)NCCC(=O)CF 1458a_100000183196_100015361967 [0,1,0,0,0,0|2,0,1]=4 253 B9R0.1 CC(=O)NCCC(=O)CO 1458a_100000210174_100000189650 [0,1,0,0,0,0|2,0,1]=4 254 B9R0.1 CC(=O)NCCC(C)CO 240690a_106354213184_100015343762 [0,1,0,0,0,0|1,0,2]=4 255 B9R0.1 CC(=O)NCCC(C)CO 527a_106354213184_100103153847 [0,1,0,0,0,0|1,0,2]=4 256 B9R0.1 CC(=O)NN=C/C(=C\N)/C 4a_100000189765_100050415766 [0,1,0,0,0,0|2,0,1]=4 257 B9R0.1 CC(=O)OCCC(=O)CO 1458a_100000210174_100009814007 [0,1,0,0,0,0|1,1,1]=4 258 B9R0.1 CC(=O)OCOC(C)CF 34a_100016041109_100009813279 [0,1,0,0,0,0|1,1,1]=4 259 B9R0.1 CC(=O)OCOC(C)CN 34a_100000210904_100009813279 [0,1,0,0,0,0|1,1,1]=4 260 B9R0.1 CC(=O)OCSC(C)CO 62a_100012180447_100000076356 [0,1,0,0,0,0|1,1,1]=4 261 B9R0.1 CC(=O)OCS[C@H](C)CO 62a_100000076356_100016084084 [0,1,0,0,0,0|1,1,1]=4 262 B9R0.1 CC(=O)OCS[C@H](C)CO 62a_100016084084_100000076356 [0,1,0,0,0,0|1,1,1]=4 263 B9R0.1 CC(=O)SCCC(=O)CF 1458a_100000048949_100015361967 [0,1,0,0,0,0|1,0,1]=3 264 B9R0.1 CC(C)/C=C/CC(=O)CF 1458a_100016292215_100015361967 [0,1,0,0,0,0|1,0,2]=4 265 B9R0.1 CC(C)CCCC(=O)CF 1458a_100011216857_100015361967 [0,1,0,0,0,0|1,0,2]=4 266 B9R0.1 CC(C)CCCC(=O)CO 1458a_100000210174_100011214892 [0,1,0,0,0,0|1,0,2]=4 267 B9R0.1 CC(C)CCNC(=O)CO 240690a_100000210545_100000210174 [0,1,0,0,0,0|1,0,2]=4 268 B9R0.1 CC(C)CCNC(=O)CO 527a_100000210545_100000210174 [0,1,0,0,0,0|1,0,2]=4 269 B9R0.1 CC(C)OCCC(=O)CO 1458a_100000210174_100000211751 [0,1,0,0,0,0|2,0,1]=4 270 B9R0.1 CC(C)SCCC(=O)CO 1458a_100000210174_100000730970 [0,1,0,0,0,0|2,0,1]=4 271 B9R0.1 CCC(=O)C/C=C/C(C)C 1458a_100016292215_100000210202 [0,1,0,0,0,0|1,0,2]=4 272 B9R0.1 CCC(=O)CCC=C(C)C 1458a_100000210414_100011217483 [0,1,0,0,0,0|1,0,0]=2 273 B9R0.1 CCC(=O)CCC=C(F)F 1458a_100000210414_200009816681 [0,1,0,0,0,0|3,0,0]=4 274 B9R0.1 CCC(=O)CCCC(=O)C 1458a_100000210414_100011215641 [0,1,0,0,0,0|2,0,1]=4 275 B9R0.1 CCC(=O)CCCC(C)C 1458a_100000210414_100011214892 [0,1,0,0,0,0|1,0,2]=4 276 B9R0.1 CCC(=O)CCCC(C)C 1458a_100011216857_100000210202 [0,1,0,0,0,0|1,0,2]=4 277 B9R0.1 CCC(=O)CCCN(C)C 1458a_100000210414_100000695564 [0,1,0,0,0,0|2,0,1]=4 278 B9R0.1 CCC(=O)CCNC(=O)C 1458a_100000183196_100000210202 [0,1,0,0,0,0|2,0,1]=4 279 B9R0.1 CCC(=O)CCNC(=O)C 1458a_100000210414_100000189650 [0,1,0,0,0,0|2,0,1]=4 280 B9R0.1 CCC(=O)CCOC(=O)C 1458a_100000210414_100009814007 [0,1,0,0,0,0|1,1,1]=4 281 B9R0.1 CCC(=O)CCOC(C)C 1458a_100000210414_100000211751 [0,1,0,0,0,0|2,0,1]=4 282 B9R0.1 CCC(=O)CCSC(=O)C 1458a_100000048949_100000210202 [0,1,0,0,0,0|1,0,1]=3 283 B9R0.1 CCC(=O)CCSC(C)C 1458a_100000210414_100000730970 [0,1,0,0,0,0|2,0,1]=4 284 B9R0.1 CCC(=O)NCC=C(C)C 11a_100000718196_100000210414 [0,1,0,0,0,0|1,0,0]=2 285 B9R0.1 CCC(=O)NCC=C(C)C 1626a_100000718196_100000210414 [0,1,0,0,0,0|1,0,0]=2 286 B9R0.1 CCC(=O)NCC=C(C)C 527a_100000718196_100000210414 [0,1,0,0,0,0|1,0,0]=2 287 B9R0.1 CCC(=O)NCCC(C)C 11a_100000210545_100000210414 [0,1,0,0,0,0|1,0,2]=4 288 B9R0.1 CCC(=O)NCCC(C)C 1626a_100000210545_100000210414 [0,1,0,0,0,0|1,0,2]=4 289 B9R0.1 CCC(=O)NCCC(C)C 240690a_100000210545_100000210414 [0,1,0,0,0,0|1,0,2]=4 290 B9R0.1 CCC(=O)NCCC(C)C 527a_100000210545_100000210414 [0,1,0,0,0,0|1,0,2]=4 291 B9R0.1 CCC(=O)NCCN(C)C 240690a_100000210585_100000210414 [0,1,0,0,0,0|2,0,1]=4 292 B9R0.1 CCC(=O)NCCN(C)C 527a_100000210585_100000210414 [0,1,0,0,0,0|2,0,1]=4 293 B9R0.1 CCC(=O)NN=CC(C)C 4a_100000183195_100000210432 [0,1,0,0,0,0|2,0,1]=4 294 B9R0.1 CCC(C)C=NNC(=O)C 4a_100000189765_100000243153 [0,1,0,0,0,0|2,0,1]=4 295 B9R0.1 CCC(C)CCNC(=O)C 11a_100020591266_100015343762 [0,1,0,0,0,0|1,0,2]=4 296 B9R0.1 CCC(C)CCNC(=O)C 1626a_100020591266_100015343762 [0,1,0,0,0,0|1,0,2]=4 297 B9R0.1 CCC(C)CCNC(=O)C 240690a_100020591266_100015343762 [0,1,0,0,0,0|1,0,2]=4 298 B9R0.1 CCC(C)CCNC(=O)C 527a_100020591266_100103153847 [0,1,0,0,0,0|1,0,2]=4 299 B9R0.1 CCC(C)NCC=C(C)C 2230a_100000209981_100000761012 [0,1,0,0,0,0|2,0,1]=4 300 B9R0.1 CCC(C)NCC=C(C)C 34a_100000718196_100011215416 [0,1,0,0,0,0|2,0,1]=4 301 B9R0.1 CCC(C)OCC=C(C)C 34a_100000753907_100011215416 [0,1,0,0,0,0|1,1,1]=4 302 B9R0.1 CCC(C)OCC=C(C)C 7a_100000210228_100000761012 [0,1,0,0,0,0|1,1,1]=4 303 B9R0.1 CCC(C)OCCC(=O)C 34a_100000759926_100011215416 [0,1,0,0,0,0|2,0,1]=4 304 B9R0.1 CCC(C)OCCC(=O)C 7a_100000210228_100000053229 [0,1,0,0,0,0|2,0,1]=4 305 B9R0.1 CCC(C)OCCC(=O)C 7a_100000759926_100000758301 [0,1,0,0,0,0|2,0,1]=4 306 B9R0.1 CCC(C)SCC=C(C)C 62a_100000758301_100000761012 [0,1,0,0,0,0|1,0,1]=3 307 B9R0.1 CCC(C)SCC=C(C)C 62a_100000761012_100000758301 [0,1,0,0,0,0|1,0,1]=3 308 B9R0.1 CCC(C)SCCC(=O)C 62a_100000053229_100000758301 [0,1,0,0,0,0|2,0,1]=4 309 B9R0.1 CCC(C)SCCC(=O)C 62a_100000758301_100000053229 [0,1,0,0,0,0|2,0,1]=4 310 B9R0.1 CCC(C)SCOC(=O)C 62a_100000076356_100000758301 [0,1,0,0,0,0|1,1,1]=4 311 B9R0.1 CCC(C)SCOC(=O)C 62a_100000758301_100000076356 [0,1,0,0,0,0|1,1,1]=4 312 B9R0.1 CCN(C)CCC=C(C)C 2230a_100000225621_100011217483 [0,1,0,0,0,0|3,0,0]=4 313 B9R0.1 CCN(C)CCC=C(C)C 269982a_100000225621_100011217483 [0,1,0,0,0,0|3,0,0]=4 314 B9R0.1 CCN(C)CCCC(=O)C 1458a_100000070787_100015186262 [0,1,0,0,0,0|2,0,1]=4 315 B9R0.1 CCN(C)CCCC(=O)C 269982a_100000225621_100011215641 [0,1,0,0,0,0|2,0,1]=4 316 B9R0.1 CCN(C)CCNC(=O)C 2230a_100000225621_100000189650 [0,1,0,0,0,0|2,0,1]=4 317 B9R0.1 CCN(C)CCNC(=O)C 269982a_100000225621_100000189650 [0,1,0,0,0,0|2,0,1]=4 318 B9R0.1 CCN(C)CCOC(=O)C 269982a_100000225621_100009814007 [0,1,0,0,0,0|1,1,1]=4 319 B9R0.1 CN(C)CCCC(=O)CO 1458a_100000210174_100000695564 [0,1,0,0,0,0|2,0,1]=4 320 B9R0.1 CN(C)CCNC(=O)CO 240690a_100000210585_100000210174 [0,1,0,0,0,0|2,0,1]=4 321 B9R0.1 CN(C)CCNC(=O)CO 527a_100000210585_100000210174 [0,1,0,0,0,0|2,0,1]=4 322 B9R0.1 CNC(=O)C/C=C/C(C)C 11a_106832991635_100016292215 [0,1,0,0,0,0|1,0,2]=4 323 B9R0.1 CNC(=O)C/C=C/C(C)C 1626a_100102657272_100016292215 [0,1,0,0,0,0|1,0,2]=4 324 B9R0.1 CNC(=O)C/C=C/C(C)C 240690a_100102657272_100016292215 [0,1,0,0,0,0|1,0,2]=4 325 B9R0.1 CNC(=O)CCCC(=O)C 1458a_100000070787_100000741757 [0,1,0,0,0,0|2,0,1]=4 326 B9R0.1 CNC(=O)CCCC(C)C 11a_106832991635_100011216857 [0,1,0,0,0,0|1,0,2]=4 327 B9R0.1 CNC(=O)CCCC(C)C 1626a_100102657272_100011216857 [0,1,0,0,0,0|1,0,2]=4 328 B9R0.1 CNC(=O)CCCC(C)C 240690a_100102657272_100011216857 [0,1,0,0,0,0|1,0,2]=4 329 B9R0.1 CNC(=O)CCCC(C)C 527a_100102657272_100011216857 [0,1,0,0,0,0|1,0,2]=4 330 B9R0.1 CNC(=O)CCCN(C)C 11a_106832991635_100000740757 [0,1,0,0,0,0|2,0,1]=4 331 B9R0.1 CNC(=O)CCCN(C)C 2230a_100102631434_100000741757 [0,1,0,0,0,0|2,0,1]=4 332 B9R0.1 CNC(=O)CCCN(C)C 240690a_100102657272_100000740757 [0,1,0,0,0,0|2,0,1]=4 333 B9R0.1 CNC(=O)CCCN(C)C 269982a_100102631434_100000741757 [0,1,0,0,0,0|2,0,1]=4 334 B9R0.1 CNC(=O)CCNC(=O)C 11a_100000738227_100015343762 [0,1,0,0,0,0|2,0,1]=4 335 B9R0.1 CNC(=O)CCNC(=O)C 11a_106832991635_100000183196 [0,1,0,0,0,0|2,0,1]=4 336 B9R0.1 CNC(=O)CCNC(=O)C 1626a_100102657272_100000183196 [0,1,0,0,0,0|2,0,1]=4 337 B9R0.1 CNC(=O)CCNC(=O)C 240690a_100000738227_100015343762 [0,1,0,0,0,0|2,0,1]=4 338 B9R0.1 CNC(=O)CCNC(=O)C 240690a_100102657272_100000183196 [0,1,0,0,0,0|2,0,1]=4 339 B9R0.1 CNC(=O)CCNC(=O)C 527a_100000738227_100103153847 [0,1,0,0,0,0|2,0,1]=4 340 B9R0.1 CNC(=O)CCNC(=O)C 527a_100102657272_100000183196 [0,1,0,0,0,0|2,0,1]=4 341 B9R0.1 CNC(=O)CCNC(C)C 2230a_100000738227_100000210206 [0,1,0,0,0,0|2,0,1]=4 342 B9R0.1 CNC(=O)CCNC(C)C 2230a_100138425928_100000737683 [0,1,0,0,0,0|2,0,1]=4 343 B9R0.1 CNC(=O)CCNC(C)C 34a_100000738227_100000210206 [0,1,0,0,0,0|2,0,1]=4 344 B9R0.1 CNC(=O)CCNC(C)C 34a_100138425928_100012179268 [0,1,0,0,0,0|2,0,1]=4 345 B9R0.1 CNC(=O)CCOC(C)C 34a_100000212225_100012179268 [0,1,0,0,0,0|2,0,1]=4 346 B9R0.1 CNC(=O)CCOC(C)C 34a_100000754576_100000210206 [0,1,0,0,0,0|2,0,1]=4 347 B9R0.1 CNC(=O)CCSC(=O)C 1626a_100102657272_100000048949 [0,1,0,0,0,0|1,0,1]=3 348 B9R0.1 CNC(=O)CCSC(=O)C 240690a_100102657272_100000048949 [0,1,0,0,0,0|1,0,1]=3 349 B9R0.1 CNC(=O)CCSC(C)C 62a_100000210206_100000737683 [0,1,0,0,0,0|2,0,1]=4 350 B9R0.1 CNC(=O)CCSC(C)C 62a_100000737683_100000210206 [0,1,0,0,0,0|2,0,1]=4 351 B9R0.1 CNC(=O)NCC=C(C)C 2708a_100000718196_106832991635 [0,1,0,0,0,0|1,0,0]=2 352 B9R0.1 CNC(=O)NCC=C(C)C 2708a_100102657272_100000718196 [0,1,0,0,0,0|1,0,0]=2 353 B9R0.1 CNC(=O)NCC=C(C)C 273464a_100000718196_100102657272 [0,1,0,0,0,0|1,0,0]=2 354 B9R0.1 CNC(=O)NCC=C(C)C 273464a_100102657272_100000718196 [0,1,0,0,0,0|1,0,0]=2 355 B9R0.1 CNC(=O)NCC=C(C)C 512a_100000718196_100102657272 [0,1,0,0,0,0|1,0,0]=2 356 B9R0.1 CNC(=O)NCC=C(C)C 512a_106832991638_100000718196 [0,1,0,0,0,0|1,0,0]=2 357 B9R0.1 CNC(=O)NCCC(C)C 2708a_100000210545_106832991635 [0,1,0,0,0,0|1,0,2]=4 358 B9R0.1 CNC(=O)NCCC(C)C 2708a_100102657272_100000210545 [0,1,0,0,0,0|1,0,2]=4 359 B9R0.1 CNC(=O)NCCC(C)C 273464a_100000210545_100102657272 [0,1,0,0,0,0|1,0,2]=4 360 B9R0.1 CNC(=O)NCCC(C)C 273464a_100102657272_100000210545 [0,1,0,0,0,0|1,0,2]=4 361 B9R0.1 CNC(=O)NCCC(C)C 512a_100000210545_100102657272 [0,1,0,0,0,0|1,0,2]=4 362 B9R0.1 CNC(=O)NCCC(C)C 512a_106832991638_100000210545 [0,1,0,0,0,0|1,0,2]=4 363 B9R0.1 CNC(=O)NCCN(C)C 2708a_100102657272_100000210585 [0,1,0,0,0,0|2,0,1]=4 364 B9R0.1 CNC(=O)NCCN(C)C 273464a_100000210585_100102657272 [0,1,0,0,0,0|2,0,1]=4 365 B9R0.1 CNC(=O)NCCN(C)C 273464a_100102657272_100000210585 [0,1,0,0,0,0|2,0,1]=4 366 B9R0.1 CNC(=O)NCCN(C)C 512a_106832991638_100000210585 [0,1,0,0,0,0|2,0,1]=4 367 B9R0.1 CNC(=O)OCCC(=O)C 1458a_100000070787_200011997002 [0,1,0,0,0,0|1,1,1]=4 368 B9R0.1 CNC(=O)OCCN(C)C 269982a_100102631434_200011997002 [0,1,0,0,0,0|1,1,1]=4 369 B9R0.1 CNC(C)CCC=C(C)C 270004a_106832991635_100000765506 [0,1,0,0,0,0|2,0,1]=4 370 B9R0.1 COC(=O)C=NNC(=O)C 4a_100000189765_200011823558 [0,1,0,0,0,0|3,0,0]=4 371 B9R0.1 COC(=O)CCCC(=O)C 1458a_100000070787_100011218270 [0,1,0,0,0,0|2,0,1]=4 372 B9R0.1 COC(=O)CCCC(=O)C 1458a_100000239890_200000210301 [0,1,0,0,0,0|2,0,1]=4 373 B9R0.1 COC(=O)CCCC(=O)[13CH3] 1458a_100000239890_200025704644 [0,1,0,0,0,0|2,0,1]=4 374 B9R0.1 COC(=O)CCCN(C)C 2230a_100102631434_100011218270 [0,1,0,0,0,0|2,0,1]=4 375 B9R0.1 COC(=O)CCCN(C)C 269982a_100000739225_200000210301 [0,1,0,0,0,0|2,0,1]=4 376 B9R0.1 COC(=O)CCCN(C)C 269982a_100102631434_100011218270 [0,1,0,0,0,0|2,0,1]=4 377 B9R0.1 COC(=O)CCCN(C)[13CH3] 269982a_100000739225_200025704644 [0,1,0,0,0,0|2,0,1]=4 378 B9R0.1 COC(=O)CCNC(=O)C 188690a_100000683876_100015343762 [0,1,0,0,0,0|2,0,1]=4 379 B9R0.1 COC(=O)CCNC(C)C 2230a_100138425928_100000204255 [0,1,0,0,0,0|2,0,1]=4 380 B9R0.1 COC(=O)CCNC(C)C 34a_100138425928_100000742370 [0,1,0,0,0,0|2,0,1]=4 381 B9R0.1 COC(=O)CCOC(C)C 34a_100000212225_100000742370 [0,1,0,0,0,0|2,0,1]=4 382 B9R0.1 COC(=O)CCSC(C)C 62a_100000204255_100000210206 [0,1,0,0,0,0|2,0,1]=4 383 B9R0.1 COC(=O)CCSC(C)C 62a_100000210206_100000204255 [0,1,0,0,0,0|2,0,1]=4 384 B9R0.1 COC(=O)OCSC(C)C 62a_100000210206_100000139417 [0,1,0,0,0,0|1,1,1]=4 385 B9R0.1 COC(C)CCC=C(C)C 34a_100102619829_200000210301 [0,1,0,0,0,0|1,0,2]=4 386 B9R0.1 COC(C)CCC=C(C)C 7a_100102619829_200000210301 [0,1,0,0,0,0|1,0,2]=4 387 B9R0.1 COC(C)SCC=C(C)C 62a_100000761012_100009879195 [0,1,0,0,0,0|0,0,2]=3 388 B9R0.1 COC(C)SCC=C(C)C 62a_100009879195_100000761012 [0,1,0,0,0,0|0,0,2]=3 389 B9R0.1 COC(C)SCCC(=O)C 62a_100000053229_100009879195 [0,1,0,0,0,0|2,0,1]=4 390 B9R0.1 COC(C)SCCC(=O)C 62a_100009879195_100000053229 [0,1,0,0,0,0|2,0,1]=4 391 B9R0.1 COC(C)SCOC(=O)C 62a_100000076356_100009879195 [0,1,0,0,0,0|1,1,1]=4 392 B9R0.1 COC(C)SCOC(=O)C 62a_100009879195_100000076356 [0,1,0,0,0,0|1,1,1]=4 393 B9R0.1 O=C(CO)CCC=C(F)F 1458a_100000210174_200009816681 [0,1,0,0,0,0|3,0,0]=4 394 B9R0.7 C=C(C)C(=NNC(=O)C)C 4a_100000189765_100011216138 [0,1,0,0,0,0|2,0,1]=4 395 B9R0.7 C=C(C)C(=O)CC=C(C)C 1458a_100000185857_100000761012 [0,1,0,0,0,0|2,0,0]=3 396 B9R0.7 C=C(C)C(=O)NCC(=O)C 1458a_100000076187_200000210301 [0,1,0,0,0,0|2,0,1]=4 397 B9R0.7 C=C(C)C(=O)NCC(=O)[13CH3] 1458a_100000076187_200025704644 [0,1,0,0,0,0|2,0,1]=4 398 B9R0.7 C=C(C)C(=O)NNC(=O)C 22a_100000189765_100000185857 [0,1,0,0,0,0|2,0,1]=4 399 B9R0.7 C=C(C)CCC(=O)C(=C)C 1458a_100000185857_100000730704 [0,1,0,0,0,0|2,0,1]=4 400 B9R0.7 C=C(C)CCC(=O)C(C)C 1458a_100000210198_100000730704 [0,1,0,0,0,0|2,0,1]=4 401 B9R0.7 C=C(C)CCC(=O)C(C)C 1458a_200000688413_100000210206 [0,1,0,0,0,0|2,0,1]=4 402 B9R0.7 C=C(C)CCC(=O)N(C)C 11a_100102631434_200000688413 [0,1,0,0,0,0|3,0,0]=4 403 B9R0.7 C=C(C)CCC(=O)N(C)C 1626a_100102631434_200000688413 [0,1,0,0,0,0|3,0,0]=4 404 B9R0.7 C=C(C)CCC(=O)N(C)C 240690a_100102631434_200000688413 [0,1,0,0,0,0|3,0,0]=4 405 B9R0.7 C=C(C)CCC(=O)N(C)C 527a_100102631434_200000688413 [0,1,0,0,0,0|3,0,0]=4 406 B9R0.7 CC(=CCC(=O)C(C)C)C 1458a_100000210198_100000761012 [0,1,0,0,0,0|2,0,1]=4 407 B9R0.7 CC(=CCC(=O)C(C)C)C 1458a_100011220947_100000210206 [0,1,0,0,0,0|2,0,1]=4 408 B9R0.7 CC(=CCC(=O)C(C)F)C 1458a_100000062450_100000761012 [0,1,0,0,0,0|2,0,1]=4 409 B9R0.7 CC(=CCC(=O)N(C)C)C 11a_100102631434_100011220947 [0,1,0,0,0,0|3,0,0]=4 410 B9R0.7 CC(=CCC(=O)N(C)C)C 1626a_100102631434_100011220947 [0,1,0,0,0,0|3,0,0]=4 411 B9R0.7 CC(=CCC(=O)N(C)C)C 240690a_100102631434_100011220947 [0,1,0,0,0,0|3,0,0]=4 412 B9R0.7 CC(=CCC(=O)N(C)C)C 527a_100102631434_100011220947 [0,1,0,0,0,0|3,0,0]=4 413 B9R0.7 CC(=CCC(=O)[C@@H](C)O)C 1458a_100000717761_100000761012 [0,1,0,0,0,0|1,0,2]=4 414 B9R0.7 CC(=CCC(=O)[C@H](C)O)C 1458a_217856618621_100000761012 [0,1,0,0,0,0|1,0,2]=4 415 B9R0.7 CC(=CCN(C)C(C)C)C 269982a_200000211004_100000761012 [0,1,0,0,0,0|2,0,1]=4 416 B9R0.7 CC(=O)C(=O)CNC(C)C 34a_100138425928_100011261029 [0,1,0,0,0,0|2,0,1]=4 417 B9R0.7 CC(=O)C(=O)COC(C)C 34a_100000212225_100011261029 [0,1,0,0,0,0|2,0,1]=4 418 B9R0.7 CC(=O)C(=O)CSC(C)C 62a_100000210206_100011261029 [0,1,0,0,0,0|2,0,1]=4 419 B9R0.7 CC(=O)C(=O)CSC(C)C 62a_100011261029_100000210206 [0,1,0,0,0,0|2,0,1]=4 420 B9R0.7 CC(=O)C(C)CCC(C)C 1458a_100000070787_100011261404 [0,1,0,0,0,0|1,0,2]=4 421 B9R0.7 CC(=O)C(C)COC(C)C 34a_100000032740_100000210206 [0,1,0,0,0,0|2,0,1]=4 422 B9R0.7 CC(=O)C(C)COC(C)C 7a_100000032740_100000210206 [0,1,0,0,0,0|2,0,1]=4 423 B9R0.7 CC(=O)C=CC(=O)N(C)C 1458a_100011200747_200000210301 [0,1,0,0,0,0|2,0,1]=4 424 B9R0.7 CC(=O)CCC(=C(F)F)F 1458a_100000070787_100009813398 [0,1,0,0,0,0|3,0,0]=4 425 B9R0.7 CC(=O)CCC(=C(F)F)F 1458a_200000036841_200000210301 [0,1,0,0,0,0|3,0,0]=4 426 B9R0.7 CC(=O)CCC(=O)N(C)C 1458a_100011200748_200000210301 [0,1,0,0,0,0|2,0,0]=3 427 B9R0.7 CC(=O)CCN(C)C(=O)C 1458a_100011216537_200000210301 [0,1,0,0,0,0|2,0,1]=4 428 B9R0.7 CC(=O)CCN(C)C(C)C 1458a_100015184040_200000210301 [0,1,0,0,0,0|2,0,1]=4 429 B9R0.7 CC(=O)CCN(C)C(C)C 269982a_200000211004_100000053229 [0,1,0,0,0,0|2,0,1]=4 430 B9R0.7 CC(=O)CNC(=O)C(C)C 1458a_100000194582_200000210301 [0,1,0,0,0,0|2,0,1]=4 431 B9R0.7 CC(=O)COC(=O)C(C)C 1458a_100000070787_100000139345 [0,1,0,0,0,0|2,0,1]=4 432 B9R0.7 CC(=O)CSC(=S)N(C)C 1458a_100000016564_200000210301 [0,1,0,0,0,0|3,0,0]=4 433 B9R0.7 CC(=O)N(C)CCC(=O)[13CH3] 1458a_100011216537_200025704644 [0,1,0,0,0,0|2,0,1]=4 434 B9R0.7 CC(=O)N(C)CCC(C)C 11a_100000742789_100015343762 [0,1,0,0,0,0|1,0,2]=4 435 B9R0.7 CC(=O)N(C)CCC(C)C 1626a_100000742789_100015343762 [0,1,0,0,0,0|1,0,2]=4 436 B9R0.7 CC(=O)N(C)CCC(C)C 240690a_100000742789_100015343762 [0,1,0,0,0,0|1,0,2]=4 437 B9R0.7 CC(=O)N(C)CCC(C)C 527a_100000742789_100103153847 [0,1,0,0,0,0|1,0,2]=4 438 B9R0.7 CC(=O)N(C)CCN(C)C 240690a_100000225618_100015343762 [0,1,0,0,0,0|2,0,1]=4 439 B9R0.7 CC(=O)N(C)CCN(C)C 527a_100000225618_100103153847 [0,1,0,0,0,0|2,0,1]=4 440 B9R0.7 CC(=O)NCC(=O)C(C)C 1458a_100000194580_100000210206 [0,1,0,0,0,0|1,0,1]=3 441 B9R0.7 CC(=O)NCC(=O)N(C)C 11a_100015183351_100015343762 [0,1,0,0,0,0|2,0,0]=3 442 B9R0.7 CC(=O)NCC(=O)N(C)C 11a_100102631434_100000194580 [0,1,0,0,0,0|2,0,0]=3 443 B9R0.7 CC(=O)NCC(=O)N(C)C 1626a_100102631434_100000194580 [0,1,0,0,0,0|2,0,0]=3 444 B9R0.7 CC(=O)NCC(=O)N(C)C 240690a_100015183351_100015343762 [0,1,0,0,0,0|2,0,0]=3 445 B9R0.7 CC(=O)NCC(=O)N(C)C 240690a_100102631434_100000194580 [0,1,0,0,0,0|2,0,0]=3 446 B9R0.7 CC(=O)NCC(=O)N(C)C 527a_100015183351_100103153847 [0,1,0,0,0,0|2,0,0]=3 447 B9R0.7 CC(=O)NCC(=O)N(C)C 527a_100102631434_100000194580 [0,1,0,0,0,0|2,0,0]=3 448 B9R0.7 CC(=O)NCC(O)C(C)C 11a_100000759067_100015343762 [0,1,0,0,0,0|1,0,2]=4 449 B9R0.7 CC(=O)NCC(O)C(C)C 240690a_100000759067_100015343762 [0,1,0,0,0,0|1,0,2]=4 450 B9R0.7 CC(=O)NCC(O)C(C)C 527a_100000759067_100103153847 [0,1,0,0,0,0|1,0,2]=4 451 B9R0.7 CC(=O)NN=C(C)C(C)C 4a_100000189765_100000211110 [0,1,0,0,0,0|2,0,1]=4 452 B9R0.7 CC(=O)NNC(=O)C(C)C 22a_100000184118_100000070787 [0,1,0,0,0,0|2,0,1]=4 453 B9R0.7 CC(=O)NNC(=O)C(C)C 22a_100000189765_100000210198 [0,1,0,0,0,0|2,0,1]=4 454 B9R0.7 CC(=O)OCC(=O)C(C)C 1458a_100000183556_100000210206 [0,1,0,0,0,0|0,1,1]=3 455 B9R0.7 CC(=O)OCC(=O)N(C)C 1626a_100102631434_100000183556 [0,1,0,0,0,0|1,1,0]=3 456 B9R0.7 CC(=O)OCC(=O)N(C)C 240690a_100102631434_100000183556 [0,1,0,0,0,0|1,1,0]=3 457 B9R0.7 CC(=O)OCC(=O)N(C)C 527a_100102631434_100000183556 [0,1,0,0,0,0|1,1,0]=3 458 B9R0.7 CC(=O)OCC(C)N(C)C 270004a_100102631434_100000000629 [0,1,0,0,0,0|1,1,1]=4 459 B9R0.7 CC(=O)OCN(C)C(C)C 269982a_200000211004_100000076356 [0,1,0,0,0,0|1,1,1]=4 460 B9R0.7 CC(=O)SCC(=O)C(C)C 1458a_100000049016_100000210206 [0,1,0,0,0,0|0,0,1]=2 461 B9R0.7 CC(=O)SCC(=O)N(C)C 11a_100102631434_100000049016 [0,1,0,0,0,0|1,0,0]=2 462 B9R0.7 CC(=O)SCC(=O)N(C)C 1626a_100102631434_100000049016 [0,1,0,0,0,0|1,0,0]=2 463 B9R0.7 CC(=O)SCC(=O)N(C)C 240690a_100102631434_100000049016 [0,1,0,0,0,0|1,0,0]=2 464 B9R0.7 CC(=O)SC[C@@H](C)C(=O)C 1458a_200015407212_200000210301 [0,1,0,0,0,0|1,0,1]=3 465 B9R0.7 CC(=O)SC[C@@H](C)C(=O)[13CH3] 1458a_200015407212_200025704644 [0,1,0,0,0,0|1,0,1]=3 466 B9R0.7 CC(C)C(=O)CCC(=O)N 1458a_100011215257_100000210206 [0,1,0,0,0,0|2,0,1]=4 467 B9R0.7 CC(C)C(=O)CNC(=O)N 1458a_100000184981_100000210206 [0,1,0,0,0,0|2,0,1]=4 468 B9R0.7 CC(C)C(=O)NCC(=O)[13CH3] 1458a_100000194582_200025704644 [0,1,0,0,0,0|2,0,1]=4 469 B9R0.7 CC(C)N(C)CCC(=O)[13CH3] 1458a_100015184040_200025704644 [0,1,0,0,0,0|2,0,1]=4 470 B9R0.7 CC(C)SCC(=O)C(C)C 1458a_100000241585_100000210206 [0,1,0,0,0,0|1,0,2]=4 471 B9R0.7 CC(C)SCC(=O)C(C)C 62a_100000210206_100000753385 [0,1,0,0,0,0|1,0,2]=4 472 B9R0.7 CC(C)SCC(=O)C(C)C 62a_100000753385_100000210206 [0,1,0,0,0,0|1,0,2]=4 473 B9R0.7 CC(C)SCC(=O)N(C)C 11a_100102631434_100000241585 [0,1,0,0,0,0|2,0,1]=4 474 B9R0.7 CC(C)SCC(=O)N(C)C 1626a_100102631434_100000241585 [0,1,0,0,0,0|2,0,1]=4 475 B9R0.7 CC(C)SCC(=O)N(C)C 240690a_100102631434_100000241585 [0,1,0,0,0,0|2,0,1]=4 476 B9R0.7 CC(C)SCC(=O)N(C)C 527a_100102631434_100000241585 [0,1,0,0,0,0|2,0,1]=4 477 B9R0.7 CC(C)SCC(=O)N(C)C 62a_100000210206_100000692301 [0,1,0,0,0,0|2,0,1]=4 478 B9R0.7 CC(C)SCC(=O)N(C)C 62a_100000692301_100000210206 [0,1,0,0,0,0|2,0,1]=4 479 B9R0.7 CN(C)C(=O)C=CC(=O)[13CH3] 1458a_100011200747_200025704644 [0,1,0,0,0,0|2,0,1]=4 480 B9R0.7 CN(C)C(=O)CCC(=O)N 240690a_100102631434_100011215257 [0,1,0,0,0,0|3,0,0]=4 481 B9R0.7 CN(C)C(=O)CCC(=O)N 527a_100102631434_100011215257 [0,1,0,0,0,0|3,0,0]=4 482 B9R0.7 CN(C)C(=O)CCC(=O)[13CH3] 1458a_100011200748_200025704644 [0,1,0,0,0,0|2,0,0]=3 483 B9R0.7 CN(C)C(=O)CNC(=O)N 240690a_100102631434_100000184981 [0,1,0,0,0,0|3,0,0]=4 484 B9R0.7 CN(C)C(=O)CNC(=O)N 527a_100102631434_100000184981 [0,1,0,0,0,0|3,0,0]=4 485 B9R0.7 CN(C)C(=O)CSC(=O)N 240690a_100102631434_200015941356 [0,1,0,0,0,0|2,0,0]=3 486 B9R0.7 CN(C)C(=S)SCC(=O)[13CH3] 1458a_100000016564_200025704644 [0,1,0,0,0,0|3,0,0]=4 487 B9R0.7 [13CH3]C(=O)CCC(=C(F)F)F 1458a_200000036841_200025704644 [0,1,0,0,0,0|3,0,0]=4 488 B9R0.53 C=C(C)CC(=O)C=C(C)C 1458a_100000211388_100000748629 [0,1,0,0,0,0|2,0,1]=4 489 B9R0.53 CC(=CC(=O)CC(=O)N)C 1458a_100000211388_100000187820 [0,1,0,0,0,0|2,0,1]=4 490 B9R0.53 CC(=CC(=O)CC(=O)[O-])C 1458a_100000211388_100020667443 [0,1,0,0,0,0|2,0,1]=4 491 B9R0.53 CC(=CC(C)OC(C)C)C 34a_100000717055_100000210206 [0,1,0,0,0,0|1,1,1]=4 492 B9R0.53 CC(=O)NC(C)CC(C)C 11a_100000692259_100015343762 [0,1,0,0,0,0|1,0,2]=4 493 B9R0.53 CC(=O)NC(C)CC(C)C 1626a_100000692259_100015343762 [0,1,0,0,0,0|1,0,2]=4 494 B9R0.53 CC(=O)NC(C)CC(C)C 240690a_100000692259_100015343762 [0,1,0,0,0,0|1,0,2]=4 495 B9R0.53 CC(=O)NC(C)CC(C)C 527a_100000692259_100103153847 [0,1,0,0,0,0|1,0,2]=4 496 B9R0.53 CC(=O)NC(C)CN(C)C 11a_100016992788_100015343762 [0,1,0,0,0,0|2,0,1]=4 497 B9R0.53 CC(=O)NC(C)CN(C)C 240690a_100016992788_100015343762 [0,1,0,0,0,0|2,0,1]=4 498 B9R0.53 CC(=O)NC(C)CN(C)C 527a_100016992788_100103153847 [0,1,0,0,0,0|2,0,1]=4 499 B9R0.53 CC(=O)OC(C)SC(C)C 62a_100000210206_100009818208 [0,1,0,0,0,0|1,1,1]=4 500 B9R0.53 CC(=O)OC(C)SC(C)C 62a_100009818208_100000210206 [0,1,0,0,0,0|1,1,1]=4 501 B9R0.56 CC(=CCNC(C)(C)C)C 2230a_100000715429_100000761012 [0,1,0,0,0,0|2,0,1]=4 502 B9R0.56 CC(=CCNC(C)(C)C)C 34a_100000718196_100000210625 [0,1,0,0,0,0|2,0,1]=4 503 B9R0.56 CC(=CCNS(=O)(=O)C)C 40a_100000718196_100000738038 [0,1,0,0,0,0|2,0,0]=3 504 B9R0.56 CC(=CCOC(C)(C)C)C 34a_100000753907_100000210625 [0,1,0,0,0,0|1,1,1]=4 505 B9R0.56 CC(=CCOC(C)(C)C)C 34a_100015890283_100000761012 [0,1,0,0,0,0|1,1,1]=4 506 B9R0.56 CC(=CCOC(C)(C)C)C 7a_100015890283_100000761012 [0,1,0,0,0,0|1,1,1]=4 507 B9R0.56 CC(=CCSC(C)(C)C)C 62a_100000211941_100000761012 [0,1,0,0,0,0|1,0,1]=3 508 B9R0.56 CC(=CCSC(C)(C)C)C 62a_100000761012_100000211941 [0,1,0,0,0,0|1,0,1]=3 509 B9R0.56 CC(=CCSC(F)(F)F)C 62a_100000761012_200103152311 [0,1,0,0,0,0|2,0,1]=4 510 B9R0.56 CC(=CCSC(F)(F)F)C 62a_200000243211_100000761012 [0,1,0,0,0,0|2,0,1]=4 511 B9R0.56 CC(=O)CCC[N+](C)(C)C 1458a_100000070787_100016990835 [0,1,0,0,0,0|2,0,1]=4 512 B9R0.56 CC(=O)CCC[N+](C)(C)C 1458a_100000085584_200000210301 [0,1,0,0,0,0|2,0,1]=4 513 B9R0.56 CC(=O)CCC[Si](C)(C)C 1458a_100000070787_100011219597 [0,1,0,0,0,0|1,1,1]=4 514 B9R0.56 CC(=O)CCOC(C)(C)C 34a_100000759926_100000210625 [0,1,0,0,0,0|2,0,1]=4 515 B9R0.56 CC(=O)CCOC(C)(C)C 7a_100015890283_100000053229 [0,1,0,0,0,0|2,0,1]=4 516 B9R0.56 CC(=O)CCO[Si](C)(C)C 1458a_100000070787_200000032530 [0,1,0,0,0,0|2,1,0]=4 517 B9R0.56 CC(=O)CCSC(C)(C)C 62a_100000053229_100000211941 [0,1,0,0,0,0|2,0,1]=4 518 B9R0.56 CC(=O)CCSC(C)(C)C 62a_100000211941_100000053229 [0,1,0,0,0,0|2,0,1]=4 519 B9R0.56 CC(=O)NCCC(C)(C)C 11a_100000738805_100015343762 [0,1,0,0,0,0|1,0,2]=4 520 B9R0.56 CC(=O)NCCC(C)(C)C 1626a_100000738805_100015343762 [0,1,0,0,0,0|1,0,2]=4 521 B9R0.56 CC(=O)NCCC(C)(C)C 240690a_100000738805_100015343762 [0,1,0,0,0,0|1,0,2]=4 522 B9R0.56 CC(=O)NCCC(C)(C)C 527a_100000738805_100103153847 [0,1,0,0,0,0|1,0,2]=4 523 B9R0.56 CC(=O)NCCC(C)(C)F 11a_100016253952_100015343762 [0,1,0,0,0,0|1,0,2]=4 524 B9R0.56 CC(=O)NCCC(C)(C)F 1626a_100016253952_100015343762 [0,1,0,0,0,0|1,0,2]=4 525 B9R0.56 CC(=O)NCCC(C)(C)F 240690a_100016253952_100015343762 [0,1,0,0,0,0|1,0,2]=4 526 B9R0.56 CC(=O)NCCC(C)(C)F 527a_100016253952_100103153847 [0,1,0,0,0,0|1,0,2]=4 527 B9R0.56 CC(=O)NCCC(C)(C)O 1626a_100000707701_100015343762 [0,1,0,0,0,0|1,0,2]=4 528 B9R0.56 CC(=O)NCCC(C)(C)O 527a_100000707701_100103153847 [0,1,0,0,0,0|1,0,2]=4 529 B9R0.56 CC(=O)NCC[N+](C)(C)C 1626a_100000106457_100015343762 [0,1,0,0,0,0|2,0,1]=4 530 B9R0.56 CC(=O)NCC[N+](C)(C)C 240690a_100000106457_100015343762 [0,1,0,0,0,0|2,0,1]=4 531 B9R0.56 CC(=O)NCC[N+](C)(C)C 527a_100000106457_100103153847 [0,1,0,0,0,0|2,0,1]=4 532 B9R0.56 CC(=O)OCOC(C)(C)C 34a_100015890283_100009813279 [0,1,0,0,0,0|1,1,1]=4 533 B9R0.56 CC(=O)OCSC(C)(C)C 62a_100000076356_100000211941 [0,1,0,0,0,0|1,1,1]=4 534 B9R0.56 CC(=O)OCSC(C)(C)C 62a_100000211941_100000076356 [0,1,0,0,0,0|1,1,1]=4 535 B9R0.56 C[N+](C)(C)CCCC(=O)[13CH3] 1458a_100000085584_200025704644 [0,1,0,0,0,0|2,0,1]=4 536 B9R1.35 C=C(C)c1csc(c1)C 271570a_100000694244_100000759034 [0,0,0,1,0,0|1,0,2]=4 537 B9R1.35 C=C(C)c1csc(n1)C 271570a_100000694244_100011934587 [0,0,0,1,0,0|1,0,2]=4 538 B9R1.35 CC(=O)C1CC(=NO1)C 1458a_100000763720_200000210301 [0,0,0,1,0,0|3,0,0]=4 539 B9R1.35 CC(=O)C1CCN(C1)C 1458a_100000739633_200000210301 [0,0,0,1,0,0|2,0,1]=4 540 B9R1.35 CC(=O)C1CNC(=O)C1 1458a_100000747279_200000210301 [0,0,0,1,0,0|2,0,1]=4 541 B9R1.35 CC(=O)N1CC[C@H](C1)C 11a_100016987628_100015343762 [0,0,0,1,0,0|1,0,2]=4 542 B9R1.35 CC(=O)N1CC[C@H](C1)C 240690a_100016987628_100015343762 [0,0,0,1,0,0|1,0,2]=4 543 B9R1.35 CC(=O)N1CC[C@H](C1)C 527a_100016987628_100103153847 [0,0,0,1,0,0|1,0,2]=4 544 B9R1.35 CC(=O)N1CNC(=O)C1 11a_200000708111_100015343762 [0,0,0,1,0,0|3,0,0]=4 545 B9R1.35 CC(=O)N1CNC(=O)C1 1626a_200000708111_100015343762 [0,0,0,1,0,0|3,0,0]=4 546 B9R1.35 CC(=O)N1CNC(=O)C1 240690a_200000708111_100015343762 [0,0,0,1,0,0|3,0,0]=4 547 B9R1.35 CC(=O)N1CNC(=O)C1 527a_200000708111_100103153847 [0,0,0,1,0,0|3,0,0]=4 548 B9R1.35 CC(=O)[C@@H]1CSC(=O)N1 1458a_100000735014_200000210301 [0,0,0,1,0,0|2,0,1]=4 549 B9R1.35 CC(C)N1CNC(=O)C1 2230a_200000708111_100000210206 [0,0,0,1,0,0|2,0,1]=4 550 B9R1.35 CC1=NOC(C1)C(=O)[13CH3] 1458a_100000763720_200025704644 [0,0,0,1,0,0|3,0,0]=4 551 B9R1.35 CN1CCC(C1)C(=O)[13CH3] 1458a_100000739633_200025704644 [0,0,0,1,0,0|2,0,1]=4 552 B9R1.35 [13CH3]C(=O)C1CNC(=O)C1 1458a_100000747279_200025704644 [0,0,0,1,0,0|2,0,1]=4 553 B9R1.35 [13CH3]C(=O)[C@@H]1CSC(=O)N1 1458a_100000735014_200025704644 [0,0,0,1,0,0|2,0,1]=4 554 B9R1.49 CN1CCNC(=O)CC1 2230a_100000698595_200000210301 [0,0,0,1,0,0|2,0,1]=4 555 B9R1.49 CN1CCNC(=O)CC1 269982a_100000698595_200000210301 [0,0,0,1,0,0|2,0,1]=4 556 B9R1.49 [13CH3]N1CCNC(=O)CC1 2230a_100000698595_200025704644 [0,0,0,1,0,0|2,0,1]=4 557 B9R1.49 [13CH3]N1CCNC(=O)CC1 269982a_100000698595_200025704644 [0,0,0,1,0,0|2,0,1]=4 558 B9R1.53 C=C1CC(C1)NC(=O)C 11a_100132301982_100015343762 [0,0,0,1,0,0|1,0,2]=4 559 B9R1.53 C=C1CC(C1)NC(=O)C 1626a_100132301982_100015343762 [0,0,0,1,0,0|1,0,2]=4 560 B9R1.53 C=C1CC(C1)NC(=O)C 527a_100132301982_100103153847 [0,0,0,1,0,0|1,0,2]=4 561 B9R1.53 CC(=O)CC1CC(=O)C1 1458a_100000070787_100009874392 [0,0,0,1,0,0|2,0,1]=4 562 B9R1.53 CC(=O)NC1CN(C1)C 240690a_100015196640_100015343762 [0,0,0,1,0,0|2,0,1]=4 563 B9R1.53 CC(=O)OC1CN(C1)C 269982a_100016994906_200000210301 [0,0,0,1,0,0|1,1,1]=4 564 B9R1.53 CC(=O)OC1CN(C1)[13CH3] 269982a_100016994906_200025704644 [0,0,0,1,0,0|1,1,1]=4 565 B9R1.53 CC(C)SC1CC(=O)C1 62a_100009894365_100000210206 [0,0,0,1,0,0|2,0,1]=4 566 B9R1.53 CN(C)CC1CC(=O)C1 2230a_100102631434_100009874392 [0,0,0,1,0,0|2,0,1]=4 567 B9R1.53 CN(C)CC1CC(=O)C1 269982a_100102631434_100009874392 [0,0,0,1,0,0|2,0,1]=4 568 B9R1.85 CC(=CCNC1CC1)C 34a_100000212008_100000761012 [0,0,0,1,0,0|2,0,1]=4 569 B9R1.85 CC(=CCNC1CC1)C 34a_100000718196_100000211595 [0,0,0,1,0,0|2,0,1]=4 570 B9R1.85 CC(=CCOC1CC1)C 34a_100000753907_100000211595 [0,0,0,1,0,0|1,1,1]=4 571 B9R1.85 CC(=CCSC1CC1)C 62a_100000761012_100000211595 [0,0,0,1,0,0|1,0,1]=3 572 B9R1.85 CC(=O)CCOC1CC1 34a_100000759926_100000211595 [0,0,0,1,0,0|2,0,1]=4 573 B9R1.85 CC(=O)CCSC1CC1 62a_100000053229_100000211595 [0,0,0,1,0,0|2,0,1]=4 574 B9R1.85 CC(=O)NCCC1CC1 1626a_100000764129_100015343762 [0,0,0,1,0,0|1,0,2]=4 575 B9R1.85 CC(=O)NCCC1CC1 240690a_100000764129_100015343762 [0,0,0,1,0,0|1,0,2]=4 576 B9R1.85 CC(=O)NCCC1CC1 527a_100000764129_100103153847 [0,0,0,1,0,0|1,0,2]=4 577 B9R1.85 CC(=O)NN=CC1CC1 4a_100000189765_100000741477 [0,0,0,1,0,0|2,0,1]=4 578 B9R1.85 CC(=O)OCNC1CC1 34a_100000212008_100009813279 [0,0,0,1,0,0|1,1,1]=4 579 B9R1.85 CC(=O)OCSC1CC1 62a_100000076356_100000211595 [0,0,0,1,0,0|1,1,1]=4 580 B7R0.6 C=C(C)CCC(=O)C 1458a_100000070787_100000730704 [0,0,0,0,1,0|0,0,2]=3 581 B7R0.6 C=C(C)CCC(=O)C 1458a_200000688413_200000210301 [0,0,0,0,1,0|0,0,2]=3 582 B7R0.6 C=C(C)CCC(=O)[13CH3] 1458a_200000688413_200025704644 [0,0,0,0,1,0|0,0,2]=3 583 B7R0.6 C=C(C)CCN(C)C 2230a_100102631434_100000730704 [0,0,0,0,1,0|2,0,1]=4 584 B7R0.6 C=C(C)CCN(C)C 269982a_100102631434_100000730704 [0,0,0,0,1,0|2,0,1]=4 585 B7R0.6 C=C(C)CNC(=O)C 11a_100000765925_100015343762 [0,0,0,0,1,0|1,0,1]=3 586 B7R0.6 C=C(C)CNC(=O)C 1626a_100000765925_100015343762 [0,0,0,0,1,0|1,0,1]=3 587 B7R0.6 C=C(C)CNC(=O)C 240690a_100000765925_100015343762 [0,0,0,0,1,0|1,0,1]=3 588 B7R0.6 C=C(C)CNC(=O)C 527a_100000765925_100103153847 [0,0,0,0,1,0|1,0,1]=3 589 B7R0.6 C=C(C)CNC(C)C 2230a_100138425928_100000748629 [0,0,0,0,1,0|2,0,1]=4 590 B7R0.6 C=C(C)CNC(C)C 34a_100138425928_100000748629 [0,0,0,0,1,0|2,0,1]=4 591 B7R0.6 C=C(C)COC(C)C 34a_100000210245_100000210206 [0,0,0,0,1,0|2,0,1]=4 592 B7R0.6 C=C(C)COC(C)C 34a_100000212225_100000748629 [0,0,0,0,1,0|2,0,1]=4 593 B7R0.6 C=C(C)CSC(C)C 62a_100000210206_100000211660 [0,0,0,0,1,0|1,0,2]=4 594 B7R0.6 C=C(C)CSC(C)C 62a_100000748629_100000210206 [0,0,0,0,1,0|1,0,2]=4 595 B7R0.6 CC(=CCC(=O)[13CH3])C 1458a_100011220947_200025704644 [0,0,0,0,1,0|0,0,0]=1 596 B7R0.6 CC(=CCN(C)C)C 2230a_100102631434_100000761012 [0,0,0,0,1,0|2,0,0]=3 597 B7R0.6 CC(=CCN(C)C)C 269982a_100102631434_100000761012 [0,0,0,0,1,0|2,0,0]=3 598 B7R0.6 CC(=O)C=CC(C)C 1458a_100016268746_200000210301 [0,0,0,0,1,0|0,0,2]=3 599 B7R0.6 CC(=O)CC=C(C)C 1458a_100000070787_100000761012 [0,0,0,0,1,0|0,0,0]=1 600 B7R0.6 CC(=O)CC=C(C)C 1458a_100011220947_200000210301 [0,0,0,0,1,0|0,0,0]=1 601 B7R0.6 CC(=O)CCC(=O)N 1458a_100011215257_200000210301 [0,0,0,0,1,0|2,0,1]=4 602 B7R0.6 CC(=O)CCC(C)C 1458a_100000070787_100000210312 [0,0,0,0,1,0|0,0,2]=3 603 B7R0.6 CC(=O)CCC(C)C 1458a_100000181311_200000210301 [0,0,0,0,1,0|0,0,2]=3 604 B7R0.6 CC(=O)CCC(C)O 1458a_100000070787_100012276601 [0,0,0,0,1,0|1,0,2]=4 605 B7R0.6 CC(=O)CCN(C)C 269982a_100102631434_100000053229 [0,0,0,0,1,0|1,0,1]=3 606 B7R0.6 CC(=O)CC[S+](C)C 1458a_100009452791_200000210301 [0,0,0,0,1,0|1,0,1]=3 607 B7R0.6 CC(=O)CNC(=O)C 1458a_100000194580_200000210301 [0,0,0,0,1,0|2,0,0]=3 608 B7R0.6 CC(=O)CNC(=O)N 1458a_100000184981_200000210301 [0,0,0,0,1,0|3,0,0]=4 609 B7R0.6 CC(=O)COC(=O)C 1458a_100000183556_200000210301 [0,0,0,0,1,0|1,1,0]=3 610 B7R0.6 CC(=O)COC(C)C 1458a_100000745533_200000210301 [0,0,0,0,1,0|1,0,1]=3 611 B7R0.6 CC(=O)COC(C)C 34a_100000211253_100000210206 [0,0,0,0,1,0|1,0,1]=3 612 B7R0.6 CC(=O)CSC(=O)C 1458a_100000049016_200000210301 [0,0,0,0,1,0|1,0,0]=2 613 B7R0.6 CC(=O)CSC(C)C 1458a_100000241585_200000210301 [0,0,0,0,1,0|1,0,1]=3 614 B7R0.6 CC(=O)NCC(=O)N 11a_100000711301_100015343762 [0,0,0,0,1,0|3,0,0]=4 615 B7R0.6 CC(=O)NCC(=O)N 240690a_100000711301_100015343762 [0,0,0,0,1,0|3,0,0]=4 616 B7R0.6 CC(=O)NCC(=O)N 527a_100000711301_100103153847 [0,0,0,0,1,0|3,0,0]=4 617 B7R0.6 CC(=O)NCC(=O)[13CH3] 1458a_100000194580_200025704644 [0,0,0,0,1,0|2,0,0]=3 618 B7R0.6 CC(=O)NCC(C)C 11a_100000210953_100015343762 [0,0,0,0,1,0|1,0,1]=3 619 B7R0.6 CC(=O)NCC(C)C 1626a_100000210953_100015343762 [0,0,0,0,1,0|1,0,1]=3 620 B7R0.6 CC(=O)NCC(C)C 240690a_100000210953_100015343762 [0,0,0,0,1,0|1,0,1]=3 621 B7R0.6 CC(=O)NCC(C)C 527a_100000210953_100103153847 [0,0,0,0,1,0|1,0,1]=3 622 B7R0.6 CC(=O)NCC(C)O 11a_100000210904_100015343762 [0,0,0,0,1,0|2,0,1]=4 623 B7R0.6 CC(=O)NCC(C)O 240690a_100000210904_100015343762 [0,0,0,0,1,0|2,0,1]=4 624 B7R0.6 CC(=O)NCC(C)O 527a_100000210904_100103153847 [0,0,0,0,1,0|2,0,1]=4 625 B7R0.6 CC(=O)NNC(=O)C 22a_100000189765_100000070787 [0,0,0,0,1,0|3,0,0]=4 626 B7R0.6 CC(=O)NNC(C)C 22a_100000741168_100000070787 [0,0,0,0,1,0|2,0,1]=4 627 B7R0.6 CC(=O)OCC(=O)[13CH3] 1458a_100000183556_200025704644 [0,0,0,0,1,0|1,1,0]=3 628 B7R0.6 CC(=O)OCN(C)C 269982a_100102631434_100000076356 [0,0,0,0,1,0|1,1,0]=3 629 B7R0.6 CC(=O)SCC(=O)[13CH3] 1458a_100000049016_200025704644 [0,0,0,0,1,0|1,0,0]=2 630 B7R0.6 CC(C)C=CC(=O)[13CH3] 1458a_100016268746_200025704644 [0,0,0,0,1,0|0,0,2]=3 631 B7R0.6 CC(C)CCC(=O)[13CH3] 1458a_100000181311_200025704644 [0,0,0,0,1,0|0,0,2]=3 632 B7R0.6 CC(C)CSC(C)C 62a_100000210206_100000210760 [0,0,0,0,1,0|1,0,2]=4 633 B7R0.6 CC(C)CSC(C)C 62a_100000210624_100000210206 [0,0,0,0,1,0|1,0,2]=4 634 B7R0.6 CC(C)NCC(=O)N 2230a_100000711301_100000210206 [0,0,0,0,1,0|2,0,1]=4 635 B7R0.6 CC(C)NCC(=O)N 2230a_100138425928_100000747473 [0,0,0,0,1,0|2,0,1]=4 636 B7R0.6 CC(C)NCC(=O)N 34a_100138425928_100000187820 [0,0,0,0,1,0|2,0,1]=4 637 B7R0.6 CC(C)NCC(=O)O 269956a_100016091260_100000210206 [0,0,0,0,1,0|2,0,1]=4 638 B7R0.6 CC(C)NCC(=O)[O-] 34a_100138425928_100020667443 [0,0,0,0,1,0|2,0,1]=4 639 B7R0.6 CC(C)OCC(=O)N 34a_100000212225_100000187820 [0,0,0,0,1,0|2,0,1]=4 640 B7R0.6 CC(C)OCC(=O)[13CH3] 1458a_100000745533_200025704644 [0,0,0,0,1,0|1,0,1]=3 641 B7R0.6 CC(C)OCC(=O)[O-] 34a_100000212225_100020667443 [0,0,0,0,1,0|2,0,1]=4 642 B7R0.6 CC(C)SCC(=O)N 62a_100000210206_100000747473 [0,0,0,0,1,0|2,0,1]=4 643 B7R0.6 CC(C)SCC(=O)N 62a_100000747473_100000210206 [0,0,0,0,1,0|2,0,1]=4 644 B7R0.6 CC(C)SCC(=O)[13CH3] 1458a_100000241585_200025704644 [0,0,0,0,1,0|1,0,1]=3 645 B7R0.6 CC(C)SCC(=O)[O-] 62a_100000210206_100020667443 [0,0,0,0,1,0|2,0,1]=4 646 B7R0.6 CC(C)SCC(=O)[O-] 62a_100020667443_100000210206 [0,0,0,0,1,0|2,0,1]=4 647 B7R0.6 CN(C)CCC(=O)N 2230a_100000730477_200000210301 [0,0,0,0,1,0|2,0,1]=4 648 B7R0.6 CN(C)CCC(=O)N 2230a_100102631434_100000744528 [0,0,0,0,1,0|2,0,1]=4 649 B7R0.6 CN(C)CCC(=O)N 269982a_100102631434_100000744528 [0,0,0,0,1,0|2,0,1]=4 650 B7R0.6 CN([13CH3])CCC(=O)N 2230a_100000730477_200025704644 [0,0,0,0,1,0|2,0,1]=4 651 B7R0.6 C[S+](C)CCC(=O)[13CH3] 1458a_100009452791_200025704644 [0,0,0,0,1,0|1,0,1]=3 652 B7R0.6 [13CH3]C(=O)CCC(=O)N 1458a_100011215257_200025704644 [0,0,0,0,1,0|2,0,1]=4 653 B7R0.6 [13CH3]C(=O)CNC(=O)N 1458a_100000184981_200025704644 [0,0,0,0,1,0|3,0,0]=4 654 B9R0.55 C=C(C)CCOCC(=O)C 34a_100000211253_100000730704 [0,0,0,0,0,1|0,1,2]=4 655 B9R0.55 C=C(C)CCSCC(=C)C 62a_100000730704_100000211660 [0,0,0,0,0,1|1,0,2]=4 656 B9R0.55 C=C(C)CCSCC(=C)C 62a_100000748629_100000730704 [0,0,0,0,0,1|1,0,2]=4 657 B9R0.55 C=C(C)CCSCC(=O)N 62a_100000730704_100000747473 [0,0,0,0,0,1|1,0,2]=4 658 B9R0.55 C=C(C)CCSCC(=O)N 62a_100000747473_100000730704 [0,0,0,0,0,1|1,0,2]=4 659 B9R0.55 C=C(C)CCSCC(=O)[O-] 62a_100000730704_100020667443 [0,0,0,0,0,1|1,0,2]=4 660 B9R0.55 C=C(C)CCSCC(=O)[O-] 62a_100020667443_100000730704 [0,0,0,0,0,1|1,0,2]=4 661 B9R0.55 C=C(C)CNCC=C(C)C 34a_100000718196_100000748629 [0,0,0,0,0,1|2,0,0]=3 662 B9R0.55 C=C(C)COCC=C(C)C 34a_100000210245_100000761012 [0,0,0,0,0,1|1,1,0]=3 663 B9R0.55 C=C(C)COCC=C(C)C 34a_100000753907_100000748629 [0,0,0,0,0,1|1,1,0]=3 664 B9R0.55 C=C(C)COCCC(=O)C 34a_100000759926_100000748629 [0,0,0,0,0,1|1,0,2]=4 665 B9R0.55 C=C(C)COCCC(=O)C 7a_100000759926_100000748629 [0,0,0,0,0,1|1,0,2]=4 666 B9R0.55 C=C(C)COCOC(=O)C 34a_100000210245_100009813279 [0,0,0,0,0,1|0,1,2]=4 667 B9R0.55 C=C(C)CSCC=C(C)C 62a_100000748629_100000761012 [0,0,0,0,0,1|1,0,0]=2 668 B9R0.55 C=C(C)CSCC=C(C)C 62a_100000761012_100000211660 [0,0,0,0,0,1|1,0,0]=2 669 B9R0.55 C=C(C)CSCCC(=O)C 62a_100000053229_100000211660 [0,0,0,0,0,1|1,0,2]=4 670 B9R0.55 C=C(C)CSCCC(=O)C 62a_100000748629_100000053229 [0,0,0,0,0,1|1,0,2]=4 671 B9R0.55 C=C(C)CSCCC(C)C 62a_100000210312_100000211660 [0,0,0,0,0,1|1,0,2]=4 672 B9R0.55 C=C(C)CSCCC(C)C 62a_100000748629_100000210312 [0,0,0,0,0,1|1,0,2]=4 673 B9R0.55 C=C(C)CSCCN(C)C 62a_100000748629_100000755713 [0,0,0,0,0,1|2,0,1]=4 674 B9R0.55 C=C(C)CSCOC(=O)C 62a_100000076356_100000211660 [0,0,0,0,0,1|0,1,2]=4 675 B9R0.55 C=C(C)CSCOC(=O)C 62a_100000748629_100000076356 [0,0,0,0,0,1|0,1,2]=4 676 B9R0.55 C=C(C)CSCOC(C)C 62a_100000709892_100000211660 [0,0,0,0,0,1|2,0,1]=4 677 B9R0.55 C=C(C)CSCOC(C)C 62a_100000748629_100000709892 [0,0,0,0,0,1|2,0,1]=4 678 B9R0.55 C=C(F)CNCC=C(C)C 34a_100000718196_100009893438 [0,0,0,0,0,1|2,0,1]=4 679 B9R0.55 C=C(F)COCC=C(C)C 34a_100000753907_100009893438 [0,0,0,0,0,1|1,1,1]=4 680 B9R0.55 C=C(F)COCC=C(C)C 34a_200010262243_100000761012 [0,0,0,0,0,1|1,1,1]=4 681 B9R0.55 C=C(F)CSCC=C(C)C 62a_100000042424_100000761012 [0,0,0,0,0,1|1,0,1]=3 682 B9R0.55 C=C(F)CSCC=C(C)C 62a_100000761012_100000042424 [0,0,0,0,0,1|1,0,1]=3 683 B9R0.55 CC(=CCCNC(C)C)C 2230a_100138425928_100011217483 [0,0,0,0,0,1|2,0,1]=4 684 B9R0.55 CC(=CCCNC(C)C)C 34a_100138425928_100011217483 [0,0,0,0,0,1|2,0,1]=4 685 B9R0.55 CC(=CCCOC(C)C)C 34a_100000212225_100011217483 [0,0,0,0,0,1|1,1,1]=4 686 B9R0.55 CC(=CCCSC(C)C)C 62a_100000210206_100011217483 [0,0,0,0,0,1|1,0,1]=3 687 B9R0.55 CC(=CCCSC(C)C)C 62a_100011217483_100000210206 [0,0,0,0,0,1|1,0,1]=3 688 B9R0.55 CC(=CCNCC(=O)N)C 2230a_100000711301_100000761012 [0,0,0,0,0,1|2,0,0]=3 689 B9R0.55 CC(=CCNCC(=O)N)C 34a_100000718196_100000187820 [0,0,0,0,0,1|2,0,0]=3 690 B9R0.55 CC(=CCNCC(=O)O)C 269956a_100016091260_100000761012 [0,0,0,0,0,1|2,0,0]=3 691 B9R0.55 CC(=CCNCC(=O)[O-])C 34a_100000718196_100020667443 [0,0,0,0,0,1|2,0,0]=3 692 B9R0.55 CC(=CCNCC(C)C)C 2230a_100000210953_100000761012 [0,0,0,0,0,1|2,0,1]=4 693 B9R0.55 CC(=CCNCC(C)C)C 270004a_100000718196_100000210432 [0,0,0,0,0,1|2,0,1]=4 694 B9R0.55 CC(=CCNCC(C)C)C 34a_100000210953_100000761012 [0,0,0,0,0,1|2,0,1]=4 695 B9R0.55 CC(=CCNCC(C)C)C 34a_100000718196_100000210624 [0,0,0,0,0,1|2,0,1]=4 696 B9R0.55 CC(=CCNCC(C)O)C 2230a_100000210904_100000761012 [0,0,0,0,0,1|1,0,2]=4 697 B9R0.55 CC(=CCNCC(C)O)C 34a_100000210904_100000761012 [0,0,0,0,0,1|1,0,2]=4 698 B9R0.55 CC(=CCNCC(C)O)C 34a_100000718196_100011218427 [0,0,0,0,0,1|1,0,2]=4 699 B9R0.55 CC(=CCNC[C@@H](C)O)C 34a_100000718196_100009817552 [0,0,0,0,0,1|1,0,2]=4 700 B9R0.55 CC(=CCNC[N+](=O)[O-])C 34a_100000718196_100000761209 [0,0,0,0,0,1|3,0,0]=4 701 B9R0.55 CC(=CCOCC(=O)N)C 34a_100000753907_100000187820 [0,0,0,0,0,1|1,1,0]=3 702 B9R0.55 CC(=CCOCC(=O)[O-])C 34a_100000753907_100020667443 [0,0,0,0,0,1|1,1,0]=3 703 B9R0.55 CC(=CCOCC(C)Br)C 34a_100012180447_100000761012 [0,0,0,0,0,1|1,1,1]=4 704 B9R0.55 CC(=CCOCC(C)C)C 34a_100000210257_100000761012 [0,0,0,0,0,1|1,1,1]=4 705 B9R0.55 CC(=CCOCC(C)C)C 34a_100000753907_100000210624 [0,0,0,0,0,1|1,1,1]=4 706 B9R0.55 CC(=CCOCC(C)F)C 34a_100015925927_100000761012 [0,0,0,0,0,1|1,1,1]=4 707 B9R0.55 CC(=CCOCC(C)O)C 34a_100000753907_100011218427 [0,0,0,0,0,1|0,1,2]=4 708 B9R0.55 CC(=CCOC[C@@H](C)Cl)C 34a_100016084084_100000761012 [0,0,0,0,0,1|1,1,1]=4 709 B9R0.55 CC(=CCOC[C@@H](C)N)C 34a_100000737577_100000761012 [0,0,0,0,0,1|1,1,1]=4 710 B9R0.55 CC(=CCOC[C@@H](C)O)C 34a_100000753907_100009817552 [0,0,0,0,0,1|0,1,2]=4 711 B9R0.55 CC(=CCOC[N+](=O)[O-])C 34a_100000753907_100000761209 [0,0,0,0,0,1|2,1,0]=4 712 B9R0.55 CC(=CCSCC(=O)N)C 62a_100000747473_100000761012 [0,0,0,0,0,1|1,0,0]=2 713 B9R0.55 CC(=CCSCC(=O)N)C 62a_100000761012_100000747473 [0,0,0,0,0,1|1,0,0]=2 714 B9R0.55 CC(=CCSCC(=O)[O-])C 62a_100000761012_100020667443 [0,0,0,0,0,1|1,0,0]=2 715 B9R0.55 CC(=CCSCC(=O)[O-])C 62a_100020667443_100000761012 [0,0,0,0,0,1|1,0,0]=2 716 B9R0.55 CC(=CCSCC(C)C)C 62a_100000210624_100000761012 [0,0,0,0,0,1|1,0,1]=3 717 B9R0.55 CC(=CCSCC(C)C)C 62a_100000761012_100000210760 [0,0,0,0,0,1|1,0,1]=3 718 B9R0.55 CC(=CCSCC(C)O)C 62a_100000761012_100011218427 [0,0,0,0,0,1|0,0,2]=3 719 B9R0.55 CC(=CCSCC(C)O)C 62a_100011218427_100000761012 [0,0,0,0,0,1|0,0,2]=3 720 B9R0.55 CC(=CCSCC(F)F)C 62a_100000761012_100011934356 [0,0,0,0,0,1|2,0,1]=4 721 B9R0.55 CC(=CCSCC(F)F)C 62a_100011934356_100000761012 [0,0,0,0,0,1|2,0,1]=4 722 B9R0.55 CC(=CCSC[C@@H](C)O)C 62a_100000761012_100009817552 [0,0,0,0,0,1|0,0,2]=3 723 B9R0.55 CC(=CCSC[C@@H](C)O)C 62a_100009817552_100000761012 [0,0,0,0,0,1|0,0,2]=3 724 B9R0.55 CC(=CCSC[N+](=O)[O-])C 62a_100000761012_100000761209 [0,0,0,0,0,1|2,0,0]=3 725 B9R0.55 CC(=O)CCCCC(=O)C 1458a_100000070787_100000735457 [0,0,0,0,0,1|2,0,1]=4 726 B9R0.55 CC(=O)CCCCC(C)C 1458a_100000070787_100011216152 [0,0,0,0,0,1|1,0,2]=4 727 B9R0.55 CC(=O)CCCCC(C)C 1458a_100011933920_200000210301 [0,0,0,0,0,1|1,0,2]=4 728 B9R0.55 CC(=O)CCCCN(C)C 269982a_100102631434_100000735457 [0,0,0,0,0,1|2,0,1]=4 729 B9R0.55 CC(=O)CCCNC(=O)C 1458a_100000194741_200000210301 [0,0,0,0,0,1|2,0,1]=4 730 B9R0.55 CC(=O)CCCNC(C)C 34a_100138425928_100000685027 [0,0,0,0,0,1|1,0,2]=4 731 B9R0.55 CC(=O)CCCOC(=O)C 1458a_100000070787_100000042594 [0,0,0,0,0,1|1,1,1]=4 732 B9R0.55 CC(=O)CCCOC(=S)C 1458a_100000070787_200135323944 [0,0,0,0,0,1|2,0,1]=4 733 B9R0.55 CC(=O)CCCOC(C)C 34a_100000212225_100000685027 [0,0,0,0,0,1|1,0,2]=4 734 B9R0.55 CC(=O)CCCOC(C)C 34a_100000759063_100000210206 [0,0,0,0,0,1|1,0,2]=4 735 B9R0.55 CC(=O)CCCOC(C)C 7a_100000759063_100000210206 [0,0,0,0,0,1|1,0,2]=4 736 B9R0.55 CC(=O)CCCSC(=O)C 1458a_100000070787_100000038929 [0,0,0,0,0,1|1,0,1]=3 737 B9R0.55 CC(=O)CCCSC(C)C 62a_100000210206_100011215641 [0,0,0,0,0,1|1,0,2]=4 738 B9R0.55 CC(=O)CCCSC(C)C 62a_100011215641_100000210206 [0,0,0,0,0,1|1,0,2]=4 739 B9R0.55 CC(=O)CCOCC(C)C 34a_100000759926_100000210624 [0,0,0,0,0,1|1,0,2]=4 740 B9R0.55 CC(=O)CCOCC(C)C 7a_100000759926_100000210760 [0,0,0,0,0,1|1,0,2]=4 741 B9R0.55 CC(=O)CCSCC(=O)N 1458a_100000148550_200000210301 [0,0,0,0,0,1|2,0,1]=4 742 B9R0.55 CC(=O)CCSCC(=O)N 62a_100000053229_100000747473 [0,0,0,0,0,1|2,0,1]=4 743 B9R0.55 CC(=O)CCSCC(=O)N 62a_100000747473_100000053229 [0,0,0,0,0,1|2,0,1]=4 744 B9R0.55 CC(=O)CCSCC(=O)[O-] 62a_100000053229_100020667443 [0,0,0,0,0,1|2,0,1]=4 745 B9R0.55 CC(=O)CCSCC(=O)[O-] 62a_100020667443_100000053229 [0,0,0,0,0,1|2,0,1]=4 746 B9R0.55 CC(=O)CCSCC(C)C 62a_100000053229_100000210760 [0,0,0,0,0,1|1,0,2]=4 747 B9R0.55 CC(=O)CCSCC(C)C 62a_100000210624_100000053229 [0,0,0,0,0,1|1,0,2]=4 748 B9R0.55 CC(=O)COCC=C(C)C 34a_100000211253_100000761012 [0,0,0,0,0,1|0,1,0]=2 749 B9R0.55 CC(=O)COCCC(C)C 34a_100000211253_100000210312 [0,0,0,0,0,1|0,1,2]=4 750 B9R0.55 CC(=O)COCOC(=O)C 34a_100000211253_100009813279 [0,0,0,0,0,1|1,1,1]=4 751 B9R0.55 CC(=O)COCOC(C)C 34a_100000211253_100000709892 [0,0,0,0,0,1|1,1,1]=4 752 B9R0.55 CC(=O)NCCCC(=O)[13CH3] 1458a_100000194741_200025704644 [0,0,0,0,0,1|2,0,1]=4 753 B9R0.55 CC(=O)NCCCC(C)C 11a_200000737386_100015343762 [0,0,0,0,0,1|1,0,2]=4 754 B9R0.55 CC(=O)NCCCC(C)C 1626a_200000737386_100015343762 [0,0,0,0,0,1|1,0,2]=4 755 B9R0.55 CC(=O)NCCCC(C)C 240690a_200000737386_100015343762 [0,0,0,0,0,1|1,0,2]=4 756 B9R0.55 CC(=O)NCCCC(C)C 527a_200000737386_100103153847 [0,0,0,0,0,1|1,0,2]=4 757 B9R0.55 CC(=O)NCCCN(C)C 240690a_102531767803_100015343762 [0,0,0,0,0,1|2,0,1]=4 758 B9R0.55 CC(=O)NCCCN(C)C 527a_102531767803_100103153847 [0,0,0,0,0,1|2,0,1]=4 759 B9R0.55 CC(=O)NCCNC(=O)C 240690a_100000209853_100015343762 [0,0,0,0,0,1|2,0,1]=4 760 B9R0.55 CC(=O)NCCNC(=O)C 527a_100000209853_100103153847 [0,0,0,0,0,1|2,0,1]=4 761 B9R0.55 CC(=O)NCCNC(C)C 2230a_100000209853_100000210206 [0,0,0,0,0,1|1,0,2]=4 762 B9R0.55 CC(=O)NCCNC(C)C 2230a_100138425928_100000189650 [0,0,0,0,0,1|1,0,2]=4 763 B9R0.55 CC(=O)NCCOC(=O)C 11a_100000724843_100015343762 [0,0,0,0,0,1|1,1,1]=4 764 B9R0.55 CC(=O)NCCOC(=O)C 240690a_100000724843_100015343762 [0,0,0,0,0,1|1,1,1]=4 765 B9R0.55 CC(=O)NCCOC(=O)C 527a_100000724843_100103153847 [0,0,0,0,0,1|1,1,1]=4 766 B9R0.55 CC(=O)NCCOC(C)C 11a_100000701111_100015343762 [0,0,0,0,0,1|1,0,2]=4 767 B9R0.55 CC(=O)NCCOC(C)C 1626a_100000701111_100015343762 [0,0,0,0,0,1|1,0,2]=4 768 B9R0.55 CC(=O)NCCOC(C)C 240690a_100000701111_100015343762 [0,0,0,0,0,1|1,0,2]=4 769 B9R0.55 CC(=O)NCCOC(C)C 34a_100000158858_100000210206 [0,0,0,0,0,1|1,0,2]=4 770 B9R0.55 CC(=O)NCCOC(C)C 527a_100000701111_100103153847 [0,0,0,0,0,1|1,0,2]=4 771 B9R0.55 CC(=O)NCCSC(=O)C 11a_100020647217_100015343762 [0,0,0,0,0,1|1,0,1]=3 772 B9R0.55 CC(=O)NCCSC(=O)C 240690a_100020647217_100015343762 [0,0,0,0,0,1|1,0,1]=3 773 B9R0.55 CC(=O)NCCSC(=O)C 527a_100020647217_100103153847 [0,0,0,0,0,1|1,0,1]=3 774 B9R0.55 CC(=O)NCCSC(C)C 11a_100000731138_100015343762 [0,0,0,0,0,1|1,0,2]=4 775 B9R0.55 CC(=O)NCCSC(C)C 1626a_100000731138_100015343762 [0,0,0,0,0,1|1,0,2]=4 776 B9R0.55 CC(=O)NCCSC(C)C 240690a_100000731138_100015343762 [0,0,0,0,0,1|1,0,2]=4 777 B9R0.55 CC(=O)NCCSC(C)C 527a_100000731138_100103153847 [0,0,0,0,0,1|1,0,2]=4 778 B9R0.55 CC(=O)NCCSC(C)C 62a_100000189650_100000210206 [0,0,0,0,0,1|1,0,2]=4 779 B9R0.55 CC(=O)NCCSC(C)C 62a_100000210206_100000189650 [0,0,0,0,0,1|1,0,2]=4 780 B9R0.55 CC(=O)NN=CC=C(C)C 4a_100000189765_100011215525 [0,0,0,0,0,1|1,0,1]=3 781 B9R0.55 CC(=O)NN=CCC(C)C 4a_100000189765_100000185833 [0,0,0,0,0,1|2,0,1]=4 782 B9R0.55 CC(=O)NNCCN(C)C 22a_100000738145_100000070787 [0,0,0,0,0,1|2,0,1]=4 783 B9R0.55 CC(=O)OCCCN(C)C 269982a_100102631434_100000042594 [0,0,0,0,0,1|1,1,1]=4 784 B9R0.55 CC(=O)OCCNC(C)C 34a_100138425928_100009814007 [0,0,0,0,0,1|0,1,2]=4 785 B9R0.55 CC(=O)OCCOC(C)C 34a_100000212225_100009814007 [0,0,0,0,0,1|0,1,2]=4 786 B9R0.55 CC(=O)OCCSC(C)C 62a_100000210206_100009814007 [0,0,0,0,0,1|0,1,2]=4 787 B9R0.55 CC(=O)OCCSC(C)C 62a_100009814007_100000210206 [0,0,0,0,0,1|0,1,2]=4 788 B9R0.55 CC(=O)OCNCC(C)C 34a_100000210953_100009813279 [0,0,0,0,0,1|0,1,2]=4 789 B9R0.55 CC(=O)OCOCC(C)C 34a_100000210257_100009813279 [0,0,0,0,0,1|0,1,2]=4 790 B9R0.55 CC(=O)OCSCC(=O)N 62a_100000076356_100000747473 [0,0,0,0,0,1|3,0,0]=4 791 B9R0.55 CC(=O)OCSCC(=O)N 62a_100000747473_100000076356 [0,0,0,0,0,1|3,0,0]=4 792 B9R0.55 CC(=O)OCSCC(=O)[O-] 62a_100000076356_100020667443 [0,0,0,0,0,1|3,0,0]=4 793 B9R0.55 CC(=O)OCSCC(=O)[O-] 62a_100020667443_100000076356 [0,0,0,0,0,1|3,0,0]=4 794 B9R0.55 CC(=O)OCSCC(C)C 62a_100000076356_100000210760 [0,0,0,0,0,1|0,1,2]=4 795 B9R0.55 CC(=O)OCSCC(C)C 62a_100000210624_100000076356 [0,0,0,0,0,1|0,1,2]=4 796 B9R0.55 CC(=O)SCCCN(C)C 2230a_100102631434_100000038929 [0,0,0,0,0,1|1,0,1]=3 797 B9R0.55 CC(=O)SCCCN(C)C 269982a_100102631434_100000038929 [0,0,0,0,0,1|1,0,1]=3 798 B9R0.55 CC(C)CCCCC(=O)[13CH3] 1458a_100011933920_200025704644 [0,0,0,0,0,1|1,0,2]=4 799 B9R0.55 CC(C)CCSCC(=O)N 62a_100000210312_100000747473 [0,0,0,0,0,1|1,0,2]=4 800 B9R0.55 CC(C)CCSCC(=O)N 62a_100000747473_100000210312 [0,0,0,0,0,1|1,0,2]=4 801 B9R0.55 CC(C)CCSCC(=O)[O-] 62a_100000210312_100020667443 [0,0,0,0,0,1|1,0,2]=4 802 B9R0.55 CC(C)CCSCC(=O)[O-] 62a_100020667443_100000210312 [0,0,0,0,0,1|1,0,2]=4 803 B9R0.55 CC(C)OCSCC(=O)N 62a_100000709892_100000747473 [0,0,0,0,0,1|2,0,1]=4 804 B9R0.55 CC(C)OCSCC(=O)N 62a_100000747473_100000709892 [0,0,0,0,0,1|2,0,1]=4 805 B9R0.55 CC(C)OCSCC(=O)[O-] 62a_100000709892_100020667443 [0,0,0,0,0,1|2,0,1]=4 806 B9R0.55 CC(C)OCSCC(=O)[O-] 62a_100020667443_100000709892 [0,0,0,0,0,1|2,0,1]=4 807 B9R0.55 CN(C)CCSCC(=O)N 62a_100000747473_100000755713 [0,0,0,0,0,1|2,0,1]=4 808 B9R0.55 CN(C)CCSCC(=O)[O-] 62a_100020667443_100000755713 [0,0,0,0,0,1|2,0,1]=4 809 B9R0.55 [13CH3]C(=O)CCSCC(=O)N 1458a_100000148550_200025704644 [0,0,0,0,0,1|2,0,1]=4 810 B6R0.4 C/C=C/CC(=O)C 1458a_100000070787_100102629194 [2,0,0,0,0,0|0,0,0]=2 811 B6R0.4 C/C=C/CN(C)C 269982a_100102631434_100102629194 [2,0,0,0,0,0|2,0,0]=4 812 B6R0.4 C=C(C)CCSC 62a_100000730704_200000210301 [2,0,0,0,0,0|0,0,2]=4 813 B6R0.4 C=C(C)CCSC 62a_200000210301_100000730704 [2,0,0,0,0,0|0,0,2]=4 814 B6R0.4 C=C(C)CCS[13CH3] 62a_100000730704_200025704644 [2,0,0,0,0,0|0,0,2]=4 815 B6R0.4 C=C(C)CCS[13CH3] 62a_200025704644_100000730704 [2,0,0,0,0,0|0,0,2]=4 816 B6R0.4 C=C(C)CSCC 62a_100000210202_100000211660 [2,0,0,0,0,0|0,0,2]=4 817 B6R0.4 C=C(C)CSCC 62a_100000748629_100000210202 [2,0,0,0,0,0|0,0,2]=4 818 B6R0.4 C=CC=CC(=O)C 1458a_100016291481_200000210301 [2,0,0,0,0,0|0,0,2]=4 819 B6R0.4 C=CC=CC(=O)[13CH3] 1458a_100016291481_200025704644 [2,0,0,0,0,0|0,0,2]=4 820 B6R0.4 C=CCCC(=O)C 1458a_100000070787_100000754431 [2,0,0,0,0,0|1,0,0]=3 821 B6R0.4 C=CCCC(=O)C 1458a_100000749702_200000210301 [2,0,0,0,0,0|1,0,0]=3 822 B6R0.4 C=CCCC(=O)[13CH3] 1458a_100000749702_200025704644 [2,0,0,0,0,0|1,0,0]=3 823 B6R0.4 C=CCNC(=O)C 1626a_100020586998_100015343762 [2,0,0,0,0,0|1,0,0]=3 824 B6R0.4 C=CCNC(=O)C 240690a_100020586998_100015343762 [2,0,0,0,0,0|1,0,0]=3 825 B6R0.4 C=CCNC(=O)C 527a_100020586998_100103153847 [2,0,0,0,0,0|1,0,0]=3 826 B6R0.4 C=CCSC(C)C 62a_100000210206_100000210623 [2,0,0,0,0,0|1,0,1]=4 827 B6R0.4 C=CCSC(C)C 62a_100000210623_100000210206 [2,0,0,0,0,0|1,0,1]=4 828 B6R0.4 CC#CCC(=O)C 1458a_100000070787_100000748600 [2,0,0,0,0,0|0,0,2]=4 829 B6R0.4 CC(=CCN[13CH3])C 34a_100000718196_200025704644 [2,0,0,0,0,0|1,0,0]=3 830 B6R0.4 CC(=CCO[13CH3])C 34a_100000753907_200025704644 [2,0,0,0,0,0|0,1,0]=3 831 B6R0.4 CC(=CCS[13CH3])C 62a_100000761012_200025704644 [2,0,0,0,0,0|0,0,0]=2 832 B6R0.4 CC(=CCS[13CH3])C 62a_200025704644_100000761012 [2,0,0,0,0,0|0,0,0]=2 833 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [2,0,0,0,0,0|1,0,1]=4 834 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [2,0,0,0,0,0|1,0,1]=4 835 B6R0.4 CC(=O)CCS[13CH3] 62a_100000053229_200025704644 [2,0,0,0,0,0|1,0,1]=4 836 B6R0.4 CC(=O)CCS[13CH3] 62a_200025704644_100000053229 [2,0,0,0,0,0|1,0,1]=4 837 B6R0.4 CC(=O)OCS[13CH3] 62a_100000076356_200025704644 [2,0,0,0,0,0|1,1,0]=4 838 B6R0.4 CC(=O)OCS[13CH3] 62a_200025704644_100000076356 [2,0,0,0,0,0|1,1,0]=4 839 B6R0.4 CC(C)CCS[13CH3] 62a_100000210312_200025704644 [2,0,0,0,0,0|0,0,2]=4 840 B6R0.4 CC(C)CCS[13CH3] 62a_200025704644_100000210312 [2,0,0,0,0,0|0,0,2]=4 841 B6R0.4 CC(C)NCC=O 2230a_100138425928_200015260668 [2,0,0,0,0,0|1,0,1]=4 842 B6R0.4 CC(C)NCC=O 34a_100138425928_200009817547 [2,0,0,0,0,0|1,0,1]=4 843 B6R0.4 CC(C)OCC=O 34a_100000212225_200009817547 [2,0,0,0,0,0|1,0,1]=4 844 B6R0.4 CC(C)OCS[13CH3] 62a_100000709892_200025704644 [2,0,0,0,0,0|1,0,1]=4 845 B6R0.4 CC(C)OCS[13CH3] 62a_200025704644_100000709892 [2,0,0,0,0,0|1,0,1]=4 846 B6R0.4 CC(C)SCC=O 62a_100000210206_200015260668 [2,0,0,0,0,0|1,0,1]=4 847 B6R0.4 CC(C)SCC=O 62a_200015260668_100000210206 [2,0,0,0,0,0|1,0,1]=4 848 B6R0.4 CC=CCC(=O)C 1458a_100000070787_100000070051 [2,0,0,0,0,0|0,0,0]=2 849 B6R0.4 CC=CCC(=O)C 1458a_100121576822_200000210301 [2,0,0,0,0,0|0,0,0]=2 850 B6R0.4 CC=CCC(=O)[13CH3] 1458a_100121576822_200025704644 [2,0,0,0,0,0|0,0,0]=2 851 B6R0.4 CC=CCN(C)C 2230a_100102631434_100000070051 [2,0,0,0,0,0|2,0,0]=4 852 B6R0.4 CC=NNC(=O)C 4a_100000189765_200000210099 [2,0,0,0,0,0|2,0,0]=4 853 B6R0.4 CCC=CC(=O)C 1458a_100000212282_200000210301 [2,0,0,0,0,0|0,0,2]=4 854 B6R0.4 CCC=CC(=O)[13CH3] 1458a_100000212282_200025704644 [2,0,0,0,0,0|0,0,2]=4 855 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [2,0,0,0,0,0|0,0,2]=4 856 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [2,0,0,0,0,0|0,0,2]=4 857 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [2,0,0,0,0,0|0,0,2]=4 858 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [2,0,0,0,0,0|1,0,1]=4 859 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [2,0,0,0,0,0|1,0,1]=4 860 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [2,0,0,0,0,0|1,0,1]=4 861 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [2,0,0,0,0,0|1,0,1]=4 862 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [2,0,0,0,0,0|1,0,1]=4 863 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [2,0,0,0,0,0|1,0,1]=4 864 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [2,0,0,0,0,0|1,0,1]=4 865 B6R0.4 CCSCC(=O)C 1458a_100000230394_200000210301 [2,0,0,0,0,0|1,0,1]=4 866 B6R0.4 CCSCC(=O)[13CH3] 1458a_100000230394_200025704644 [2,0,0,0,0,0|1,0,1]=4 867 B6R0.4 CCSCC(C)C 62a_100000210202_100000210760 [2,0,0,0,0,0|0,0,2]=4 868 B6R0.4 CCSCC(C)C 62a_100000210624_100000210202 [2,0,0,0,0,0|0,0,2]=4 869 B6R0.4 CN(C)CCS[13CH3] 62a_200025704644_100000755713 [2,0,0,0,0,0|1,0,1]=4 870 B6R0.4 CNCC=C(C)C 2230a_106832991635_100000761012 [2,0,0,0,0,0|1,0,0]=3 871 B6R0.4 CNCC=C(C)C 34a_100000718196_200000210301 [2,0,0,0,0,0|1,0,0]=3 872 B6R0.4 CNCC=C(C)C 34a_100102657272_100000761012 [2,0,0,0,0,0|1,0,0]=3 873 B6R0.4 CNCC=C(C)C 7a_106832991635_100000761012 [2,0,0,0,0,0|1,0,0]=3 874 B6R0.4 CNCCC(=O)C 7a_106832991635_100000053229 [2,0,0,0,0,0|1,0,1]=4 875 B6R0.4 CNCOC(=O)C 34a_100102657272_100009813279 [2,0,0,0,0,0|1,1,0]=4 876 B6R0.4 COC=CC(=O)C 1458a_100016268678_200000210301 [2,0,0,0,0,0|1,0,1]=4 877 B6R0.4 COC=CC(=O)[13CH3] 1458a_100016268678_200025704644 [2,0,0,0,0,0|1,0,1]=4 878 B6R0.4 COCC=C(C)C 34a_100000753907_200000210301 [2,0,0,0,0,0|0,1,0]=3 879 B6R0.4 COCC=C(C)C 34a_100138415774_100000761012 [2,0,0,0,0,0|0,1,0]=3 880 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [2,0,0,0,0,0|1,0,1]=4 881 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [2,0,0,0,0,0|1,0,1]=4 882 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [2,0,0,0,0,0|1,0,1]=4 883 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [2,0,0,0,0,0|1,0,1]=4 884 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [2,0,0,0,0,0|1,0,1]=4 885 B6R0.4 COCOC(=O)C 34a_100138415774_100009813279 [2,0,0,0,0,0|1,1,0]=4 886 B6R0.4 CSCC=C(C)C 62a_100000761012_200000210301 [2,0,0,0,0,0|0,0,0]=2 887 B6R0.4 CSCC=C(C)C 62a_200000210301_100000761012 [2,0,0,0,0,0|0,0,0]=2 888 B6R0.4 CSCCC(=O)C 1458a_100000070787_100000751147 [2,0,0,0,0,0|1,0,1]=4 889 B6R0.4 CSCCC(=O)C 1458a_100000174002_200000210301 [2,0,0,0,0,0|1,0,1]=4 890 B6R0.4 CSCCC(=O)C 62a_100000053229_200000210301 [2,0,0,0,0,0|1,0,1]=4 891 B6R0.4 CSCCC(=O)C 62a_200000210301_100000053229 [2,0,0,0,0,0|1,0,1]=4 892 B6R0.4 CSCCC(=O)[13CH3] 1458a_100000174002_200025704644 [2,0,0,0,0,0|1,0,1]=4 893 B6R0.4 CSCCC(C)C 62a_100000210312_200000210301 [2,0,0,0,0,0|0,0,2]=4 894 B6R0.4 CSCCC(C)C 62a_200000210301_100000210312 [2,0,0,0,0,0|0,0,2]=4 895 B6R0.4 CSCCN(C)C 2230a_100000686725_200000210301 [2,0,0,0,0,0|1,0,1]=4 896 B6R0.4 CSCCN(C)C 2230a_100102631434_100000751147 [2,0,0,0,0,0|1,0,1]=4 897 B6R0.4 CSCCN(C)C 269982a_100000686725_200000210301 [2,0,0,0,0,0|1,0,1]=4 898 B6R0.4 CSCCN(C)C 269982a_100102631434_100000212216 [2,0,0,0,0,0|1,0,1]=4 899 B6R0.4 CSCCN(C)C 62a_200000210301_100000755713 [2,0,0,0,0,0|1,0,1]=4 900 B6R0.4 CSCCN(C)[13CH3] 2230a_100000686725_200025704644 [2,0,0,0,0,0|1,0,1]=4 901 B6R0.4 CSCCN(C)[13CH3] 269982a_100000686725_200025704644 [2,0,0,0,0,0|1,0,1]=4 902 B6R0.4 CSCNC(C)C 2230a_100138425928_100011218213 [2,0,0,0,0,0|1,0,1]=4 903 B6R0.4 CSCNC(C)C 34a_100138425928_100011218213 [2,0,0,0,0,0|1,0,1]=4 904 B6R0.4 CSCOC(=O)C 62a_100000076356_200000210301 [2,0,0,0,0,0|1,1,0]=4 905 B6R0.4 CSCOC(=O)C 62a_200000210301_100000076356 [2,0,0,0,0,0|1,1,0]=4 906 B6R0.4 CSCOC(C)C 34a_100000212225_100011218213 [2,0,0,0,0,0|1,0,1]=4 907 B6R0.4 CSCOC(C)C 62a_100000709892_200000210301 [2,0,0,0,0,0|1,0,1]=4 908 B6R0.4 CSCOC(C)C 62a_200000210301_100000709892 [2,0,0,0,0,0|1,0,1]=4 909 B6R0.4 CSCSC(C)C 62a_100000210206_100011218213 [2,0,0,0,0,0|1,0,1]=4 910 B6R0.4 CSCSC(C)C 62a_100011218213_100000210206 [2,0,0,0,0,0|1,0,1]=4 911 B6R0.6 C/C=C/CCOC 34a_100016278192_200000210301 [2,0,0,0,0,0|2,0,0]=4 912 B6R0.6 C/C=C/CCO[13CH3] 34a_100016278192_200025704644 [2,0,0,0,0,0|2,0,0]=4 913 B6R0.6 C/C=C/COCC 34a_100016270725_100000210202 [2,0,0,0,0,0|0,1,1]=4 914 B6R0.6 C/C=C/COCC 34a_100121572206_100102629194 [2,0,0,0,0,0|0,1,1]=4 915 B6R0.6 C/C=C/CSCC 62a_100000210202_100102629194 [2,0,0,0,0,0|0,0,1]=3 916 B6R0.6 C/C=C/CSCC 62a_100102629194_100000210202 [2,0,0,0,0,0|0,0,1]=3 917 B6R0.6 C/C=C/CSCF 62a_100015361967_100102629194 [2,0,0,0,0,0|1,0,1]=4 918 B6R0.6 C/C=C/CSCF 62a_100102629194_100015361967 [2,0,0,0,0,0|1,0,1]=4 919 B6R0.6 CC=CCNCC 2230a_100015525214_100000070051 [2,0,0,0,0,0|1,0,1]=4 920 B6R0.6 CC=CCOCC 34a_100121572206_100000070051 [2,0,0,0,0,0|0,1,1]=4 921 B6R0.6 CC=CCSCC 62a_100000070051_100000210202 [2,0,0,0,0,0|0,0,1]=3 922 B6R0.6 CC=CCSCC 62a_100000210202_100000070051 [2,0,0,0,0,0|0,0,1]=3 923 B6R0.6 CC=CCSCF 62a_100000070051_100015361967 [2,0,0,0,0,0|1,0,1]=4 924 B6R0.6 CC=CCSCF 62a_100015361967_100000070051 [2,0,0,0,0,0|1,0,1]=4 925 B8R0.5 CCOC(C)C=C(C)C 34a_100000717055_100000210202 [1,1,0,0,0,0|0,1,1]=4 926 B8R0.6 C#CC(C)SC/C=C/C 62a_200000035995_100102629194 [1,1,0,0,0,0|1,0,1]=4 927 B8R0.6 C#CC(C)SCC=CC 62a_200000035995_100000070051 [1,1,0,0,0,0|1,0,1]=4 928 B8R0.6 C/C=C/C=CC(=O)CC 1458a_100000185730_100000210202 [1,1,0,0,0,0|1,0,1]=4 929 B8R0.6 C/C=C/C=CC(=O)CF 1458a_100000185730_100015361967 [1,1,0,0,0,0|1,0,1]=4 930 B8R0.6 C/C=C/C=CC(=O)NC 11a_106832991635_100000185730 [1,1,0,0,0,0|1,0,1]=4 931 B8R0.6 C/C=C/C=CC(=O)NC 1626a_100102657272_100000185730 [1,1,0,0,0,0|1,0,1]=4 932 B8R0.6 C/C=C/C=CC(=O)NC 240690a_100102657272_100000185730 [1,1,0,0,0,0|1,0,1]=4 933 B8R0.6 C/C=C/CSC(C)C#N 62a_100000703298_100102629194 [1,1,0,0,0,0|1,0,1]=4 934 B8R0.6 C/C=C/CSC(C)C#N 62a_100102629194_100000703298 [1,1,0,0,0,0|1,0,1]=4 935 B8R0.6 C/C=C/CSC(C)CC 62a_100000758301_100102629194 [1,1,0,0,0,0|1,0,1]=4 936 B8R0.6 C/C=C/CSC(C)CC 62a_100102629194_100000758301 [1,1,0,0,0,0|1,0,1]=4 937 B8R0.6 C/C=C/CSC(C)CO 62a_100012180447_100102629194 [1,1,0,0,0,0|0,0,2]=4 938 B8R0.6 C/C=C/CSC(C)OC 62a_100009879195_100102629194 [1,1,0,0,0,0|0,0,2]=4 939 B8R0.6 C/C=C/CSC(C)OC 62a_100102629194_100009879195 [1,1,0,0,0,0|0,0,2]=4 940 B8R0.6 C/C=C/CS[C@H](C)CO 62a_100016084084_100102629194 [1,1,0,0,0,0|0,0,2]=4 941 B8R0.6 C/C=C/CS[C@H](C)CO 62a_100102629194_100016084084 [1,1,0,0,0,0|0,0,2]=4 942 B8R0.6 C=CC(C)SC/C=C/C 62a_100011215867_100102629194 [1,1,0,0,0,0|1,0,1]=4 943 B8R0.6 C=CC(C)SCC=CC 62a_100011215867_100000070051 [1,1,0,0,0,0|1,0,1]=4 944 B8R0.6 CC=CCSC(C)C#N 62a_100000070051_100000703298 [1,1,0,0,0,0|1,0,1]=4 945 B8R0.6 CC=CCSC(C)C#N 62a_100000703298_100000070051 [1,1,0,0,0,0|1,0,1]=4 946 B8R0.6 CC=CCSC(C)CC 62a_100000070051_100000758301 [1,1,0,0,0,0|1,0,1]=4 947 B8R0.6 CC=CCSC(C)CC 62a_100000758301_100000070051 [1,1,0,0,0,0|1,0,1]=4 948 B8R0.6 CC=CCSC(C)CO 62a_100012180447_100000070051 [1,1,0,0,0,0|0,0,2]=4 949 B8R0.6 CC=CCSC(C)OC 62a_100000070051_100009879195 [1,1,0,0,0,0|0,0,2]=4 950 B8R0.6 CC=CCSC(C)OC 62a_100009879195_100000070051 [1,1,0,0,0,0|0,0,2]=4 951 B8R0.6 CC=CCS[C@H](C)CO 62a_100000070051_100016084084 [1,1,0,0,0,0|0,0,2]=4 952 B8R0.6 CC=CCS[C@H](C)CO 62a_100016084084_100000070051 [1,1,0,0,0,0|0,0,2]=4 953 B8R0.7 C#CCSCC=C(C)C 62a_100000038162_100000761012 [1,1,0,0,0,0|0,0,2]=4 954 B8R0.7 C/C=C/CNCC(=O)O 269956a_100016091260_100102629194 [1,1,0,0,0,0|2,0,0]=4 955 B8R0.7 C/C=C/COCC(=O)C 34a_100000211253_100102629194 [1,1,0,0,0,0|0,1,0]=3 956 B8R0.7 C/C=C/COCC(=O)N 34a_100016270725_100000187820 [1,1,0,0,0,0|1,1,0]=4 957 B8R0.7 C/C=C/COCC(=O)[O-] 34a_100016270725_100020667443 [1,1,0,0,0,0|1,1,0]=4 958 B8R0.7 C/C=C/CSCC(=O)N 62a_100000747473_100102629194 [1,1,0,0,0,0|1,0,0]=3 959 B8R0.7 C/C=C/CSCC(=O)N 62a_100102629194_100000747473 [1,1,0,0,0,0|1,0,0]=3 960 B8R0.7 C/C=C/CSCC(=O)[O-] 62a_100020667443_100102629194 [1,1,0,0,0,0|1,0,0]=3 961 B8R0.7 C/C=C/CSCC(=O)[O-] 62a_100102629194_100020667443 [1,1,0,0,0,0|1,0,0]=3 962 B8R0.7 C/C=C/CSCC(C)C 62a_100000210624_100102629194 [1,1,0,0,0,0|1,0,1]=4 963 B8R0.7 C/C=C/CSCC(C)C 62a_100102629194_100000210760 [1,1,0,0,0,0|1,0,1]=4 964 B8R0.7 C/C=C/CSCC(C)O 62a_100011218427_100102629194 [1,1,0,0,0,0|0,0,2]=4 965 B8R0.7 C/C=C/CSCC(C)O 62a_100102629194_100011218427 [1,1,0,0,0,0|0,0,2]=4 966 B8R0.7 C/C=C/CSC[C@@H](C)O 62a_100009817552_100102629194 [1,1,0,0,0,0|0,0,2]=4 967 B8R0.7 C/C=C/CSC[C@@H](C)O 62a_100102629194_100009817552 [1,1,0,0,0,0|0,0,2]=4 968 B8R0.7 C/C=C/CSC[N+](=O)[O-] 62a_100102629194_100000761209 [1,1,0,0,0,0|2,0,0]=4 969 B8R0.7 C=C(C)CCSCC=O 62a_100000730704_200015260668 [1,1,0,0,0,0|0,0,2]=4 970 B8R0.7 C=C(C)CCSCC=O 62a_200015260668_100000730704 [1,1,0,0,0,0|0,0,2]=4 971 B8R0.7 C=C(C)COC/C=C/C 34a_100000210245_100102629194 [1,1,0,0,0,0|1,1,0]=4 972 B8R0.7 C=C(C)COC/C=C/C 34a_100016270725_100000748629 [1,1,0,0,0,0|1,1,0]=4 973 B8R0.7 C=C(C)COCC=CC 34a_100000210245_100000070051 [1,1,0,0,0,0|1,1,0]=4 974 B8R0.7 C=C(C)CSC/C=C/C 62a_100000748629_100102629194 [1,1,0,0,0,0|1,0,0]=3 975 B8R0.7 C=C(C)CSC/C=C/C 62a_100102629194_100000211660 [1,1,0,0,0,0|1,0,0]=3 976 B8R0.7 C=C(C)CSCC=CC 62a_100000070051_100000211660 [1,1,0,0,0,0|1,0,0]=3 977 B8R0.7 C=C(C)CSCC=CC 62a_100000748629_100000070051 [1,1,0,0,0,0|1,0,0]=3 978 B8R0.7 C=C(F)CSC/C=C/C 62a_100000042424_100102629194 [1,1,0,0,0,0|1,0,1]=4 979 B8R0.7 C=C(F)CSC/C=C/C 62a_100102629194_100000042424 [1,1,0,0,0,0|1,0,1]=4 980 B8R0.7 C=C(F)CSCC=CC 62a_100000042424_100000070051 [1,1,0,0,0,0|1,0,1]=4 981 B8R0.7 C=C(F)CSCC=CC 62a_100000070051_100000042424 [1,1,0,0,0,0|1,0,1]=4 982 B8R0.7 C=CCNCC=C(C)C 2230a_100020586998_100000761012 [1,1,0,0,0,0|1,0,1]=4 983 B8R0.7 C=CCNCC=C(C)C 34a_100000718196_100015514636 [1,1,0,0,0,0|1,0,1]=4 984 B8R0.7 C=CCOCC=C(C)C 34a_100000753907_100015514636 [1,1,0,0,0,0|0,1,1]=4 985 B8R0.7 C=CCOCC=C(C)C 34a_200000210373_100000761012 [1,1,0,0,0,0|0,1,1]=4 986 B8R0.7 C=CCSCC=C(C)C 62a_100000210623_100000761012 [1,1,0,0,0,0|0,0,1]=3 987 B8R0.7 C=CCSCC=C(C)C 62a_100000761012_100000210623 [1,1,0,0,0,0|0,0,1]=3 988 B8R0.7 CC(=CCCSCF)C 62a_100011217483_100015361967 [1,1,0,0,0,0|1,0,1]=4 989 B8R0.7 CC(=CCCSCF)C 62a_100015361967_100011217483 [1,1,0,0,0,0|1,0,1]=4 990 B8R0.7 CC(=CCNCC=O)C 34a_100000718196_200009817547 [1,1,0,0,0,0|1,0,0]=3 991 B8R0.7 CC(=CCNCCF)C 34a_100000718196_100011217306 [1,1,0,0,0,0|1,0,1]=4 992 B8R0.7 CC(=CCNCCF)C 34a_100000724931_100000761012 [1,1,0,0,0,0|1,0,1]=4 993 B8R0.7 CC(=CCNCCO)C 2230a_100016997473_100000761012 [1,1,0,0,0,0|1,0,1]=4 994 B8R0.7 CC(=CCNCCO)C 34a_100000718196_100000211926 [1,1,0,0,0,0|1,0,1]=4 995 B8R0.7 CC(=CCNCCO)C 34a_100016990907_100000761012 [1,1,0,0,0,0|1,0,1]=4 996 B8R0.7 CC(=CCOCC=O)C 34a_100000753907_200009817547 [1,1,0,0,0,0|0,1,0]=3 997 B8R0.7 CC(=CCOCCBr)C 34a_100000211926_100000761012 [1,1,0,0,0,0|0,1,1]=4 998 B8R0.7 CC(=CCOCCF)C 34a_100000753907_100011217306 [1,1,0,0,0,0|0,1,1]=4 999 B8R0.7 CC(=CCOCCN)C 34a_100000210304_100000761012 [1,1,0,0,0,0|0,1,1]=4 1000 B8R0.7 CC(=CCOCCO)C 34a_100000753907_100000211926 [1,1,0,0,0,0|0,1,1]=4 1001 B8R0.7 CC(=CCSCC#N)C 62a_100000761012_100011215382 [1,1,0,0,0,0|0,0,2]=4 1002 B8R0.7 CC(=CCSCC#N)C 62a_100011215382_100000761012 [1,1,0,0,0,0|0,0,2]=4 1003 B8R0.7 CC(=CCSCC=O)C 62a_100000761012_200015260668 [1,1,0,0,0,0|0,0,0]=2 1004 B8R0.7 CC(=CCSCC=O)C 62a_200015260668_100000761012 [1,1,0,0,0,0|0,0,0]=2 1005 B8R0.7 CC(=CCSCCF)C 62a_100000761012_100011217306 [1,1,0,0,0,0|0,0,1]=3 1006 B8R0.7 CC(=CCSCCF)C 62a_100011217306_100000761012 [1,1,0,0,0,0|0,0,1]=3 1007 B8R0.7 CC(=CCSCCO)C 62a_100000211926_100000761012 [1,1,0,0,0,0|0,0,1]=3 1008 B8R0.7 CC(=CCSCCO)C 62a_100000761012_100000211926 [1,1,0,0,0,0|0,0,1]=3 1009 B8R0.7 CC(=O)CCSCC=O 62a_100000053229_200015260668 [1,1,0,0,0,0|1,0,1]=4 1010 B8R0.7 CC(=O)CCSCC=O 62a_200015260668_100000053229 [1,1,0,0,0,0|1,0,1]=4 1011 B8R0.7 CC(=O)OCSCC=O 62a_100000076356_200015260668 [1,1,0,0,0,0|2,0,0]=4 1012 B8R0.7 CC(=O)OCSCC=O 62a_200015260668_100000076356 [1,1,0,0,0,0|2,0,0]=4 1013 B8R0.7 CC(=O)SCCCS[13CH3] 62a_100000038929_200025704644 [1,1,0,0,0,0|0,0,2]=4 1014 B8R0.7 CC(=O)SCCCS[13CH3] 62a_200025704644_100000038929 [1,1,0,0,0,0|0,0,2]=4 1015 B8R0.7 CC(C)CCSCC=O 62a_100000210312_200015260668 [1,1,0,0,0,0|0,0,2]=4 1016 B8R0.7 CC(C)CCSCC=O 62a_200015260668_100000210312 [1,1,0,0,0,0|0,0,2]=4 1017 B8R0.7 CC(C)OCSCC=O 62a_100000709892_200015260668 [1,1,0,0,0,0|1,0,1]=4 1018 B8R0.7 CC(C)OCSCC=O 62a_200015260668_100000709892 [1,1,0,0,0,0|1,0,1]=4 1019 B8R0.7 CC/C=C\CCC(=O)C 1458a_100000070787_100015370543 [1,1,0,0,0,0|1,0,0]=3 1020 B8R0.7 CC/C=C\CSC(C)C 62a_100000210206_100103147603 [1,1,0,0,0,0|1,0,1]=4 1021 B8R0.7 CC/C=C\CSC(C)C 62a_100103147603_100000210206 [1,1,0,0,0,0|1,0,1]=4 1022 B8R0.7 CC=CCNCC(=O)N 2230a_100000711301_100000070051 [1,1,0,0,0,0|2,0,0]=4 1023 B8R0.7 CC=CCOCC(=O)C 34a_100000211253_100000070051 [1,1,0,0,0,0|0,1,0]=3 1024 B8R0.7 CC=CCSCC(=O)N 62a_100000070051_100000747473 [1,1,0,0,0,0|1,0,0]=3 1025 B8R0.7 CC=CCSCC(=O)N 62a_100000747473_100000070051 [1,1,0,0,0,0|1,0,0]=3 1026 B8R0.7 CC=CCSCC(=O)[O-] 62a_100000070051_100020667443 [1,1,0,0,0,0|1,0,0]=3 1027 B8R0.7 CC=CCSCC(=O)[O-] 62a_100020667443_100000070051 [1,1,0,0,0,0|1,0,0]=3 1028 B8R0.7 CC=CCSCC(C)C 62a_100000070051_100000210760 [1,1,0,0,0,0|1,0,1]=4 1029 B8R0.7 CC=CCSCC(C)C 62a_100000210624_100000070051 [1,1,0,0,0,0|1,0,1]=4 1030 B8R0.7 CC=CCSCC(C)O 62a_100000070051_100011218427 [1,1,0,0,0,0|0,0,2]=4 1031 B8R0.7 CC=CCSCC(C)O 62a_100011218427_100000070051 [1,1,0,0,0,0|0,0,2]=4 1032 B8R0.7 CC=CCSC[C@@H](C)O 62a_100000070051_100009817552 [1,1,0,0,0,0|0,0,2]=4 1033 B8R0.7 CC=CCSC[C@@H](C)O 62a_100009817552_100000070051 [1,1,0,0,0,0|0,0,2]=4 1034 B8R0.7 CC=CCSC[N+](=O)[O-] 62a_100000070051_100000761209 [1,1,0,0,0,0|2,0,0]=4 1035 B8R0.7 CCCCSCC(=O)C 1458a_100000191162_200000210301 [1,1,0,0,0,0|0,0,2]=4 1036 B8R0.7 CCCCSCC(=O)[13CH3] 1458a_100000191162_200025704644 [1,1,0,0,0,0|0,0,2]=4 1037 B8R0.7 CCCNCC=C(C)C 34a_100000718196_100000210303 [1,1,0,0,0,0|1,0,1]=4 1038 B8R0.7 CCCOCC=C(C)C 34a_100000210258_100000761012 [1,1,0,0,0,0|0,1,1]=4 1039 B8R0.7 CCCOCC=C(C)C 34a_100000753907_100000210303 [1,1,0,0,0,0|0,1,1]=4 1040 B8R0.7 CCCSCC=C(C)C 62a_100000210303_100000761012 [1,1,0,0,0,0|0,0,1]=3 1041 B8R0.7 CCCSCC=C(C)C 62a_100000761012_100000210303 [1,1,0,0,0,0|0,0,1]=3 1042 B8R0.7 CCNCCC=C(C)C 2230a_100015525214_100011217483 [1,1,0,0,0,0|1,0,1]=4 1043 B8R0.7 CCOCCC=C(C)C 34a_100121572206_100011217483 [1,1,0,0,0,0|0,1,1]=4 1044 B8R0.7 CCSCCC=C(C)C 62a_100000210202_100011217483 [1,1,0,0,0,0|0,0,1]=3 1045 B8R0.7 CCSCCC=C(C)C 62a_100011217483_100000210202 [1,1,0,0,0,0|0,0,1]=3 1046 B8R0.7 CN(C)CCSCC=O 62a_200015260668_100000755713 [1,1,0,0,0,0|1,0,1]=4 1047 B8R0.7 CNCCCSC(=O)C 2230a_106832991635_100000038929 [1,1,0,0,0,0|0,0,2]=4 1048 B8R0.7 CNCCCSC(=O)C 34a_100102657272_100000038929 [1,1,0,0,0,0|0,0,2]=4 1049 B8R0.7 CNCCCSC(=O)C 7a_106832991635_100000038929 [1,1,0,0,0,0|0,0,2]=4 1050 B8R0.7 COCCCSC(=O)C 34a_100138415774_100000038929 [1,1,0,0,0,0|0,0,2]=4 1051 B8R0.7 COCSCC=C(C)C 62a_100000761012_100000766300 [1,1,0,0,0,0|0,0,1]=3 1052 B8R0.7 COCSCC=C(C)C 62a_100000766300_100000761012 [1,1,0,0,0,0|0,0,1]=3 1053 B8R0.7 CSCCCSC(=O)C 62a_100000038929_200000210301 [1,1,0,0,0,0|0,0,2]=4 1054 B8R0.7 CSCCCSC(=O)C 62a_200000210301_100000038929 [1,1,0,0,0,0|0,0,2]=4 1055 B8R0.7 CSCNCC=C(C)C 34a_100000718196_100011218213 [1,1,0,0,0,0|1,0,1]=4 1056 B8R0.7 CSCOCC=C(C)C 34a_100000753907_100011218213 [1,1,0,0,0,0|0,1,1]=4 1057 B8R0.7 CSCSCC=C(C)C 62a_100000761012_100011218213 [1,1,0,0,0,0|0,0,1]=3 1058 B8R0.7 CSCSCC=C(C)C 62a_100011218213_100000761012 [1,1,0,0,0,0|0,0,1]=3 1059 B8R0.8 C/C=C/CC(=O)C(C)C 1458a_100000210198_100102629194 [1,1,0,0,0,0|1,0,1]=4 1060 B8R0.8 C=C(C)C(=O)C/C=C/C 1458a_100000185857_100102629194 [1,1,0,0,0,0|1,0,1]=4 1061 B8R0.8 C=C(C)C(=O)CC=CC 1458a_100000185857_100000070051 [1,1,0,0,0,0|1,0,1]=4 1062 B8R0.8 CC=CCC(=O)C(C)C 1458a_100000210198_100000070051 [1,1,0,0,0,0|1,0,1]=4 1063 B8R0.8 CC=CCC(=O)C(C)C 1458a_100121576822_100000210206 [1,1,0,0,0,0|1,0,1]=4 1064 B8R0.8 CC=CCC(=O)N(C)C 11a_100102631434_100121576822 [1,1,0,0,0,0|2,0,0]=4 1065 B8R0.8 CC=CCC(=O)N(C)C 1626a_100102631434_100121576822 [1,1,0,0,0,0|2,0,0]=4 1066 B8R0.8 CC=CCC(=O)N(C)C 240690a_100102631434_100121576822 [1,1,0,0,0,0|2,0,0]=4 1067 B8R0.8 CC=CCC(=O)N(C)C 527a_100102631434_100121576822 [1,1,0,0,0,0|2,0,0]=4 1068 B8R0.8 CCSCC(=O)C(=O)C 62a_100000210202_100011261029 [1,1,0,0,0,0|1,0,1]=4 1069 B8R0.8 CCSCC(=O)C(=O)C 62a_100011261029_100000210202 [1,1,0,0,0,0|1,0,1]=4 1070 B8R0.8 CCSCC(=O)C(C)C 1458a_100000230394_100000210206 [1,1,0,0,0,0|0,0,2]=4 1071 B8R0.8 CCSCC(=O)C(C)C 62a_100000210202_100000753385 [1,1,0,0,0,0|0,0,2]=4 1072 B8R0.8 CCSCC(=O)C(C)C 62a_100000753385_100000210202 [1,1,0,0,0,0|0,0,2]=4 1073 B8R0.8 CCSCC(=O)N(C)C 11a_100102631434_100000230394 [1,1,0,0,0,0|1,0,1]=4 1074 B8R0.8 CCSCC(=O)N(C)C 1626a_100102631434_100000230394 [1,1,0,0,0,0|1,0,1]=4 1075 B8R0.8 CCSCC(=O)N(C)C 240690a_100102631434_100000230394 [1,1,0,0,0,0|1,0,1]=4 1076 B8R0.8 CCSCC(=O)N(C)C 527a_100102631434_100000230394 [1,1,0,0,0,0|1,0,1]=4 1077 B8R0.8 CCSCC(=O)N(C)C 62a_100000210202_100000692301 [1,1,0,0,0,0|1,0,1]=4 1078 B8R0.8 CCSCC(=O)N(C)C 62a_100000692301_100000210202 [1,1,0,0,0,0|1,0,1]=4 1079 B8R0.9 C=CC(=O)CC=C(C)C 1458a_100000185746_100000761012 [1,1,0,0,0,0|1,0,1]=4 1080 B8R0.9 CC(=O)SCC(=O)CF 1458a_100000049016_100015361967 [1,1,0,0,0,0|1,0,1]=4 1081 B8R0.9 CC=C(C)C=CC(=O)C 1458a_100000692105_200000210301 [1,1,0,0,0,0|1,0,1]=4 1082 B8R0.9 CC=C(C)C=CC(=O)[13CH3] 1458a_100000692105_200025704644 [1,1,0,0,0,0|1,0,1]=4 1083 B8R0.9 CCC(=O)CC=C(C)C 1458a_100000210414_100000761012 [1,1,0,0,0,0|1,0,1]=4 1084 B8R0.9 CCC(=O)CC=C(C)C 1458a_100011220947_100000210202 [1,1,0,0,0,0|1,0,1]=4 1085 B8R0.9 CCC(=O)CNC(=O)C 1458a_100000194580_100000210202 [1,1,0,0,0,0|1,0,1]=4 1086 B8R0.9 CCC(=O)COC(=O)C 1458a_100000183556_100000210202 [1,1,0,0,0,0|0,1,1]=4 1087 B8R0.9 CCC(=O)CSC(=O)C 1458a_100000049016_100000210202 [1,1,0,0,0,0|0,0,1]=3 1088 B8R0.9 CCN(C)CC=C(C)C 2230a_100000225621_100000761012 [1,1,0,0,0,0|1,0,1]=4 1089 B8R0.9 CCN(C)CC=C(C)C 269982a_100000225621_100000761012 [1,1,0,0,0,0|1,0,1]=4 1090 B8R0.9 CNC(=O)CC=C(C)C 11a_106832991635_100011220947 [1,1,0,0,0,0|2,0,0]=4 1091 B8R0.9 CNC(=O)CC=C(C)C 1626a_100102657272_100011220947 [1,1,0,0,0,0|2,0,0]=4 1092 B8R0.9 CNC(=O)CC=C(C)C 240690a_100102657272_100011220947 [1,1,0,0,0,0|2,0,0]=4 1093 B8R0.9 CNC(=O)CC=C(C)C 527a_100102657272_100011220947 [1,1,0,0,0,0|2,0,0]=4 1094 B8R0.9 CNC(=O)CCC(=O)C 1458a_100011309844_200000210301 [1,1,0,0,0,0|2,0,0]=4 1095 B8R0.9 CNC(=O)CCC(=O)[13CH3] 1458a_100011309844_200025704644 [1,1,0,0,0,0|2,0,0]=4 1096 B8R0.9 CNC(=O)CNC(=O)C 11a_100000693194_100015343762 [1,1,0,0,0,0|2,0,0]=4 1097 B8R0.9 CNC(=O)CNC(=O)C 11a_106832991635_100000194580 [1,1,0,0,0,0|2,0,0]=4 1098 B8R0.9 CNC(=O)CNC(=O)C 1626a_100102657272_100000194580 [1,1,0,0,0,0|2,0,0]=4 1099 B8R0.9 CNC(=O)CNC(=O)C 240690a_100000693194_100015343762 [1,1,0,0,0,0|2,0,0]=4 1100 B8R0.9 CNC(=O)CNC(=O)C 240690a_100102657272_100000194580 [1,1,0,0,0,0|2,0,0]=4 1101 B8R0.9 CNC(=O)CNC(=O)C 527a_100000693194_100103153847 [1,1,0,0,0,0|2,0,0]=4 1102 B8R0.9 CNC(=O)CNC(=O)C 527a_100102657272_100000194580 [1,1,0,0,0,0|2,0,0]=4 1103 B8R0.9 CNC(=O)COC(=O)C 1626a_100102657272_100000183556 [1,1,0,0,0,0|1,1,0]=4 1104 B8R0.9 CNC(=O)COC(=O)C 240690a_100102657272_100000183556 [1,1,0,0,0,0|1,1,0]=4 1105 B8R0.9 CNC(=O)COC(=O)C 527a_100102657272_100000183556 [1,1,0,0,0,0|1,1,0]=4 1106 B8R0.9 CNC(=O)CSC(=O)C 11a_106832991635_100000049016 [1,1,0,0,0,0|1,0,0]=3 1107 B8R0.9 CNC(=O)CSC(=O)C 1626a_100102657272_100000049016 [1,1,0,0,0,0|1,0,0]=3 1108 B8R0.9 CNC(=O)CSC(=O)C 240690a_100102657272_100000049016 [1,1,0,0,0,0|1,0,0]=3 1109 B8R0.9 CNC(=O)CSC(=O)N 240690a_100102657272_200015941356 [1,1,0,0,0,0|2,0,0]=4 1110 B8R0.9 COC(=O)CCC(=O)C 1458a_100000187943_200000210301 [1,1,0,0,0,0|2,0,0]=4 1111 B8R0.9 COC(=O)CCC(=O)[13CH3] 1458a_100000187943_200025704644 [1,1,0,0,0,0|2,0,0]=4 1112 B8R0.9 COC(=O)CNC(=O)C 188690a_100000185156_100015343762 [1,1,0,0,0,0|2,0,0]=4 1113 B8R0.21 C/C=C/CSC(C)(C)C 62a_100000211941_100102629194 [1,1,0,0,0,0|1,0,1]=4 1114 B8R0.21 C/C=C/CSC(C)(C)C 62a_100102629194_100000211941 [1,1,0,0,0,0|1,0,1]=4 1115 B8R0.21 CC=CCSC(C)(C)C 62a_100000070051_100000211941 [1,1,0,0,0,0|1,0,1]=4 1116 B8R0.21 CC=CCSC(C)(C)C 62a_100000211941_100000070051 [1,1,0,0,0,0|1,0,1]=4 1117 B8R0.23 C=C(C)C(=O)CC(=O)N 1458a_100000185857_100000187820 [0,1,0,0,1,0|1,0,1]=4 1118 B8R0.23 C=C(C)C(=O)CC(=O)[O-] 1458a_100000185857_100020667443 [0,1,0,0,1,0|1,0,1]=4 1119 B8R0.23 C=C(C)CC(=O)C(=C)C 1458a_100000185857_100000748629 [0,1,0,0,1,0|1,0,1]=4 1120 B8R0.23 C=C(C)CC(=O)C(C)C 1458a_100000210198_100000748629 [0,1,0,0,1,0|1,0,1]=4 1121 B8R0.23 C=C(C)CN(C)C(=O)C 11a_100000225649_100015343762 [0,1,0,0,1,0|1,0,1]=4 1122 B8R0.23 C=C(C)CN(C)C(=O)C 1626a_100000225649_100015343762 [0,1,0,0,1,0|1,0,1]=4 1123 B8R0.23 C=C(C)CN(C)C(=O)C 527a_100000225649_100103153847 [0,1,0,0,1,0|1,0,1]=4 1124 B8R0.23 CC(=O)C(=O)CN(C)C 269982a_100102631434_100011261029 [0,1,0,0,1,0|2,0,0]=4 1125 B8R0.23 CC(=O)C(C)CC(C)C 1458a_100000070787_100000731052 [0,1,0,0,1,0|0,0,2]=4 1126 B8R0.23 CC(=O)C(C)CN(C)C 1458a_200015186601_200000210301 [0,1,0,0,1,0|1,0,1]=4 1127 B8R0.23 CC(=O)C(C)NC(C)C 2230a_100138425928_100009814033 [0,1,0,0,1,0|1,0,1]=4 1128 B8R0.23 CC(=O)C(C)OC(C)C 34a_100000212229_100000210206 [0,1,0,0,1,0|1,0,1]=4 1129 B8R0.23 CC(=O)C(C)SC(C)C 62a_100000210206_100009814033 [0,1,0,0,1,0|1,0,1]=4 1130 B8R0.23 CC(=O)C(C)SC(C)C 62a_100009814033_100000210206 [0,1,0,0,1,0|1,0,1]=4 1131 B8R0.23 CC(=O)CC(=O)C(=O)C 1458a_100000070787_100011261029 [0,1,0,0,1,0|1,0,0]=3 1132 B8R0.23 CC(=O)CC(=O)C(C)C 1458a_100000070787_100000753385 [0,1,0,0,1,0|0,0,1]=3 1133 B8R0.23 CC(=O)CC(=O)N(C)C 1458a_100000070787_100000185267 [0,1,0,0,1,0|1,0,0]=3 1134 B8R0.23 CC(=O)CC(C)N(C)C 1458a_100011311895_200000210301 [0,1,0,0,1,0|1,0,1]=4 1135 B8R0.23 CC(=O)CN(C)C(=O)C 1458a_100000194957_200000210301 [0,1,0,0,1,0|2,0,0]=4 1136 B8R0.23 CC(=O)CN(C)C(C)C 1458a_100000743827_200000210301 [0,1,0,0,1,0|1,0,1]=4 1137 B8R0.23 CC(=O)N(C)CC(=O)[13CH3] 1458a_100000194957_200025704644 [0,1,0,0,1,0|2,0,0]=4 1138 B8R0.23 CC(=O)N(C)CC(C)C 11a_100000747067_100015343762 [0,1,0,0,1,0|1,0,1]=4 1139 B8R0.23 CC(=O)N(C)CC(C)C 1626a_100000747067_100015343762 [0,1,0,0,1,0|1,0,1]=4 1140 B8R0.23 CC(=O)N(C)CC(C)C 240690a_100000747067_100015343762 [0,1,0,0,1,0|1,0,1]=4 1141 B8R0.23 CC(=O)N(C)CC(C)C 527a_100000747067_100103153847 [0,1,0,0,1,0|1,0,1]=4 1142 B8R0.23 CC(=O)NC(C)C(C)C 11a_100000211541_100015343762 [0,1,0,0,1,0|1,0,1]=4 1143 B8R0.23 CC(=O)NC(C)C(C)C 1626a_100000211541_100015343762 [0,1,0,0,1,0|1,0,1]=4 1144 B8R0.23 CC(=O)NC(C)C(C)C 240690a_100000211541_100015343762 [0,1,0,0,1,0|1,0,1]=4 1145 B8R0.23 CC(=O)NC(C)C(C)C 527a_100000211541_100103153847 [0,1,0,0,1,0|1,0,1]=4 1146 B8R0.23 CC(=O)N[C@H](C)C(=O)C 1458a_100011504603_200000210301 [0,1,0,0,1,0|2,0,0]=4 1147 B8R0.23 CC(=O)N[C@H](C)C(=O)[13CH3] 1458a_100011504603_200025704644 [0,1,0,0,1,0|2,0,0]=4 1148 B8R0.23 CC(=O)OC(C)C(=O)C 1458a_100000070787_100009818208 [0,1,0,0,1,0|1,1,0]=4 1149 B8R0.23 CC(=O)OC(C)N(C)C 269982a_100102631434_100009818208 [0,1,0,0,1,0|1,1,0]=4 1150 B8R0.23 CC(=O)O[C@@H](C)C(=O)C 1458a_100009816467_200000210301 [0,1,0,0,1,0|1,1,0]=4 1151 B8R0.23 CC(=O)O[C@@H](C)C(=O)[13CH3] 1458a_100009816467_200025704644 [0,1,0,0,1,0|1,1,0]=4 1152 B8R0.23 CC(=O)[C@@H](O)CC(C)C 1458a_100012027011_200000210301 [0,1,0,0,1,0|0,0,2]=4 1153 B8R0.23 CC(C)C(=O)CC(=O)N 1458a_100000210198_100000187820 [0,1,0,0,1,0|1,0,1]=4 1154 B8R0.23 CC(C)C(=O)CC(=O)N 1458a_100134613110_100000210206 [0,1,0,0,1,0|1,0,1]=4 1155 B8R0.23 CC(C)C(=O)CC(=O)[O-] 1458a_100000210198_100020667443 [0,1,0,0,1,0|1,0,1]=4 1156 B8R0.23 CC(C)C[C@H](O)C(=O)[13CH3] 1458a_100012027011_200025704644 [0,1,0,0,1,0|0,0,2]=4 1157 B8R0.23 CC(C)N(C)CC(=O)[13CH3] 1458a_100000743827_200025704644 [0,1,0,0,1,0|1,0,1]=4 1158 B8R0.23 CC(CC(=O)[13CH3])N(C)C 1458a_100011311895_200025704644 [0,1,0,0,1,0|1,0,1]=4 1159 B8R0.23 CC(CN(C)C)C(=O)[13CH3] 1458a_200015186601_200025704644 [0,1,0,0,1,0|1,0,1]=4 1160 B8R0.23 CN(C)C(=O)CC(=O)N 240690a_100102631434_100134613110 [0,1,0,0,1,0|2,0,0]=4 1161 B8R0.23 CN(C)C(=O)CC(=O)N 527a_100102631434_100134613110 [0,1,0,0,1,0|2,0,0]=4 1162 B8R0.29 CC(=O)CCC(C)(C)C 1458a_100000070787_100000755188 [0,1,0,0,1,0|0,0,2]=4 1163 B8R0.29 CC(=O)CCC(C)(C)C 1458a_100000757465_200000210301 [0,1,0,0,1,0|0,0,2]=4 1164 B8R0.29 CC(=O)CC[N+](C)(C)C 1458a_100000070787_100000085578 [0,1,0,0,1,0|1,0,1]=4 1165 B8R0.29 CC(=O)CC[Si](C)(C)C 1458a_100000070787_200000733723 [0,1,0,0,1,0|0,1,1]=4 1166 B8R0.29 CC(=O)CC[Si](C)(C)C 1458a_100011215282_200000210301 [0,1,0,0,1,0|0,1,1]=4 1167 B8R0.29 CC(=O)COC(C)(C)C 1458a_100000686494_200000210301 [0,1,0,0,1,0|1,0,1]=4 1168 B8R0.29 CC(=O)COC(C)(C)C 34a_100000211253_100000210625 [0,1,0,0,1,0|1,0,1]=4 1169 B8R0.29 CC(=O)NCC(C)(C)C 11a_100000743828_100015343762 [0,1,0,0,1,0|1,0,1]=4 1170 B8R0.29 CC(=O)NCC(C)(C)C 1626a_100000743828_100015343762 [0,1,0,0,1,0|1,0,1]=4 1171 B8R0.29 CC(=O)NCC(C)(C)C 240690a_100000743828_100015343762 [0,1,0,0,1,0|1,0,1]=4 1172 B8R0.29 CC(=O)NCC(C)(C)C 527a_100000743828_100103153847 [0,1,0,0,1,0|1,0,1]=4 1173 B8R0.29 CC(=O)NCC(C)(C)F 11a_100020643315_100015343762 [0,1,0,0,1,0|1,0,1]=4 1174 B8R0.29 CC(=O)NCC(C)(C)F 1626a_100020643315_100015343762 [0,1,0,0,1,0|1,0,1]=4 1175 B8R0.29 CC(=O)NCC(C)(C)F 240690a_100020643315_100015343762 [0,1,0,0,1,0|1,0,1]=4 1176 B8R0.29 CC(=O)NCC(C)(C)F 527a_100020643315_100103153847 [0,1,0,0,1,0|1,0,1]=4 1177 B8R0.29 CC(=O)NCC(C)(C)O 1626a_100000751335_100015343762 [0,1,0,0,1,0|1,0,1]=4 1178 B8R0.29 CC(=O)NCC(C)(C)O 240690a_100000751335_100015343762 [0,1,0,0,1,0|1,0,1]=4 1179 B8R0.29 CC(=O)NCC(C)(C)O 527a_100000751335_100103153847 [0,1,0,0,1,0|1,0,1]=4 1180 B8R0.29 CC(=O)NC[Si](C)(C)C 11a_102516607284_100015343762 [0,1,0,0,1,0|1,1,0]=4 1181 B8R0.29 CC(=O)NC[Si](C)(C)C 1626a_102516607284_100015343762 [0,1,0,0,1,0|1,1,0]=4 1182 B8R0.29 CC(=O)NC[Si](C)(C)C 240690a_102516607284_100015343762 [0,1,0,0,1,0|1,1,0]=4 1183 B8R0.29 CC(=O)NC[Si](C)(C)C 527a_102516607284_100103153847 [0,1,0,0,1,0|1,1,0]=4 1184 B8R0.29 CC(C)(C)CCC(=O)[13CH3] 1458a_100000757465_200025704644 [0,1,0,0,1,0|0,0,2]=4 1185 B8R0.29 CC(C)(C)OCC(=O)[13CH3] 1458a_100000686494_200025704644 [0,1,0,0,1,0|1,0,1]=4 1186 B8R0.29 C[Si](C)(C)CCC(=O)[13CH3] 1458a_100011215282_200025704644 [0,1,0,0,1,0|0,1,1]=4 1187 B10R0.15 CC(=CCCSC(C)(C)C)C 62a_100000211941_100011217483 [0,1,0,0,0,1|1,0,1]=4 1188 B10R0.15 CC(=CCCSC(C)(C)C)C 62a_100011217483_100000211941 [0,1,0,0,0,1|1,0,1]=4 1189 B10R0.15 CC(=CCSCC(C)(C)C)C 62a_100000761012_100011219605 [0,1,0,0,0,1|1,0,1]=4 1190 B10R0.15 CC(=CCSCC(C)(C)C)C 62a_100011219605_100000761012 [0,1,0,0,0,1|1,0,1]=4 1191 B10R0.15 CC(=CCSCC(C)(C)F)C 62a_100000761012_100011997219 [0,1,0,0,0,1|1,0,1]=4 1192 B10R0.15 CC(=CCSCC(C)(C)F)C 62a_100011997219_100000761012 [0,1,0,0,0,1|1,0,1]=4 1193 B10R0.15 CC(=CCSCC(C)(C)O)C 62a_100000761012_100000764493 [0,1,0,0,0,1|0,0,2]=4 1194 B10R0.15 CC(=CCSCC(C)(C)O)C 62a_100000764493_100000761012 [0,1,0,0,0,1|0,0,2]=4 1195 B10R0.15 CC(=CCSCS(=O)(=O)N)C 62a_100000741382_100000761012 [0,1,0,0,0,1|2,0,0]=4 1196 B10R0.15 CC(=CCSCS(=O)(=O)N)C 62a_100000761012_100000741382 [0,1,0,0,0,1|2,0,0]=4 1197 B10R0.15 CC(=CCSCS(=O)(=O)[O-])C 62a_100000761012_100009817235 [0,1,0,0,0,1|2,0,0]=4 1198 B10R0.15 CC(=CCSCS(=O)(=O)[O-])C 62a_100009817235_100000761012 [0,1,0,0,0,1|2,0,0]=4 1199 B10R0.15 CC(=CCSC[N+](C)(C)C)C 62a_100000761012_200000036245 [0,1,0,0,0,1|2,0,0]=4 1200 B10R0.15 CC(=CCSC[N+](C)(C)C)C 62a_200000036245_100000761012 [0,1,0,0,0,1|2,0,0]=4 1201 B10R0.15 CC(=CCSC[Si](C)(C)C)C 62a_100000037933_100000761012 [0,1,0,0,0,1|1,1,0]=4 1202 B10R0.15 CC(=CCSC[Si](C)(C)C)C 62a_100000761012_100000037933 [0,1,0,0,0,1|1,1,0]=4 1203 B10R0.55 C#CC(C)SCCC=C(C)C 62a_200000035995_100011217483 [0,1,0,0,0,1|1,0,1]=4 1204 B10R0.55 C=C(C#N)CSCC=C(C)C 62a_100000761012_100000694840 [0,1,0,0,0,1|1,0,1]=4 1205 B10R0.55 C=C(C)CCSCC(=O)CC 62a_100000730704_100000747405 [0,1,0,0,0,1|0,0,2]=4 1206 B10R0.55 C=C(C)CCSCC(=O)CC 62a_100000747405_100000730704 [0,1,0,0,0,1|0,0,2]=4 1207 B10R0.55 C=C(C)CCSCC(=O)NC 62a_100000183359_100000730704 [0,1,0,0,0,1|0,0,2]=4 1208 B10R0.55 C=C(C)CCSCC(=O)NC 62a_100000730704_100000183359 [0,1,0,0,0,1|0,0,2]=4 1209 B10R0.55 C=C(C)CCSCC(=O)OC 62a_100000730704_100000747449 [0,1,0,0,0,1|0,0,2]=4 1210 B10R0.55 C=C(C)CCSCC(=O)OC 62a_100000747449_100000730704 [0,1,0,0,0,1|0,0,2]=4 1211 B10R0.55 C=CC(C)SCCC=C(C)C 62a_100011215867_100011217483 [0,1,0,0,0,1|1,0,1]=4 1212 B10R0.55 CC(=CCCSC(C)C#N)C 62a_100000703298_100011217483 [0,1,0,0,0,1|1,0,1]=4 1213 B10R0.55 CC(=CCCSC(C)C#N)C 62a_100011217483_100000703298 [0,1,0,0,0,1|1,0,1]=4 1214 B10R0.55 CC(=CCCSC(C)CO)C 62a_100012180447_100011217483 [0,1,0,0,0,1|0,0,2]=4 1215 B10R0.55 CC(=CCCS[C@H](C)CO)C 62a_100011217483_100016084084 [0,1,0,0,0,1|0,0,2]=4 1216 B10R0.55 CC(=CCCS[C@H](C)CO)C 62a_100016084084_100011217483 [0,1,0,0,0,1|0,0,2]=4 1217 B10R0.55 CC(=CCSCC(O)CO)C 62a_100000761012_100011219619 [0,1,0,0,0,1|0,0,2]=4 1218 B10R0.55 CC(=CCSCC(O)CO)C 62a_100011219619_100000761012 [0,1,0,0,0,1|0,0,2]=4 1219 B10R0.55 CC(=CCSC[C@@H](C)CO)C 62a_100000059175_100000761012 [0,1,0,0,0,1|0,0,2]=4 1220 B10R0.55 CC(=CCSC[C@@H](C)CO)C 62a_100000761012_100000059175 [0,1,0,0,0,1|0,0,2]=4 1221 B10R0.55 CC(=CCSC[C@@H](O)CF)C 62a_100000761012_100015614560 [0,1,0,0,0,1|0,0,2]=4 1222 B10R0.55 CC(=CCSC[C@@H](O)CF)C 62a_100015614560_100000761012 [0,1,0,0,0,1|0,0,2]=4 1223 B10R0.55 CC(=CCSC[C@@H](O)CO)C 62a_100000761012_100009815848 [0,1,0,0,0,1|0,0,2]=4 1224 B10R0.55 CC(=CCSC[C@@H](O)CO)C 62a_100009815848_100000761012 [0,1,0,0,0,1|0,0,2]=4 1225 B10R0.55 CC(=O)SCCCC(=O)CO 1458a_100000210174_100000038929 [0,1,0,0,0,1|1,0,1]=4 1226 B10R0.55 CC(=O)SCCNC(=O)CO 240690a_100020647217_100000210174 [0,1,0,0,0,1|1,0,1]=4 1227 B10R0.55 CC(=O)SCCNC(=O)CO 527a_100020647217_100000210174 [0,1,0,0,0,1|1,0,1]=4 1228 B10R0.55 CCC(=O)CCCSC(=O)C 1458a_100000210414_100000038929 [0,1,0,0,0,1|1,0,1]=4 1229 B10R0.55 CCC(=O)COCC=C(C)C 34a_100000725409_100000761012 [0,1,0,0,0,1|0,1,0]=3 1230 B10R0.55 CCC(=O)CSCC=C(C)C 62a_100000747405_100000761012 [0,1,0,0,0,1|0,0,0]=2 1231 B10R0.55 CCC(=O)CSCC=C(C)C 62a_100000761012_100000747405 [0,1,0,0,0,1|0,0,0]=2 1232 B10R0.55 CCC(=O)CSCCC(=O)C 62a_100000053229_100000747405 [0,1,0,0,0,1|1,0,1]=4 1233 B10R0.55 CCC(=O)CSCCC(=O)C 62a_100000747405_100000053229 [0,1,0,0,0,1|1,0,1]=4 1234 B10R0.55 CCC(=O)CSCCC(C)C 62a_100000210312_100000747405 [0,1,0,0,0,1|0,0,2]=4 1235 B10R0.55 CCC(=O)CSCCC(C)C 62a_100000747405_100000210312 [0,1,0,0,0,1|0,0,2]=4 1236 B10R0.55 CCC(=O)CSCCN(C)C 62a_100000747405_100000755713 [0,1,0,0,0,1|1,0,1]=4 1237 B10R0.55 CCC(=O)CSCOC(=O)C 62a_100000076356_100000747405 [0,1,0,0,0,1|2,0,0]=4 1238 B10R0.55 CCC(=O)CSCOC(=O)C 62a_100000747405_100000076356 [0,1,0,0,0,1|2,0,0]=4 1239 B10R0.55 CCC(=O)CSCOC(C)C 62a_100000709892_100000747405 [0,1,0,0,0,1|1,0,1]=4 1240 B10R0.55 CCC(=O)CSCOC(C)C 62a_100000747405_100000709892 [0,1,0,0,0,1|1,0,1]=4 1241 B10R0.55 CCC(=O)NCCSC(=O)C 11a_100020647217_100000210414 [0,1,0,0,0,1|1,0,1]=4 1242 B10R0.55 CCC(=O)NCCSC(=O)C 240690a_100020647217_100000210414 [0,1,0,0,0,1|1,0,1]=4 1243 B10R0.55 CCC(=O)NCCSC(=O)C 527a_100020647217_100000210414 [0,1,0,0,0,1|1,0,1]=4 1244 B10R0.55 CCC(=O)NN=CC=C(C)C 4a_100000183195_100011215525 [0,1,0,0,0,1|1,0,1]=4 1245 B10R0.55 CCC(C)CSCC=C(C)C 62a_100000748023_100000761012 [0,1,0,0,0,1|1,0,1]=4 1246 B10R0.55 CCC(C)CSCC=C(C)C 62a_100000761012_100000748023 [0,1,0,0,0,1|1,0,1]=4 1247 B10R0.55 CCC(C)SCCC=C(C)C 62a_100000758301_100011217483 [0,1,0,0,0,1|1,0,1]=4 1248 B10R0.55 CCC(C)SCCC=C(C)C 62a_100011217483_100000758301 [0,1,0,0,0,1|1,0,1]=4 1249 B10R0.55 CCC(O)CSCC=C(C)C 62a_100000761012_100011218378 [0,1,0,0,0,1|0,0,2]=4 1250 B10R0.55 CCC(O)CSCC=C(C)C 62a_100011218378_100000761012 [0,1,0,0,0,1|0,0,2]=4 1251 B10R0.55 CCN(C)CCCSC(=O)C 2230a_100000225621_100000038929 [0,1,0,0,0,1|1,0,1]=4 1252 B10R0.55 CCN(C)CCCSC(=O)C 269982a_100000225621_100000038929 [0,1,0,0,0,1|1,0,1]=4 1253 B10R0.55 CC[C@H](C)CSCC=C(C)C 62a_100000761012_100009816398 [0,1,0,0,0,1|1,0,1]=4 1254 B10R0.55 CC[C@H](C)CSCC=C(C)C 62a_100009816398_100000761012 [0,1,0,0,0,1|1,0,1]=4 1255 B10R0.55 CNC(=O)CNCC=C(C)C 2230a_100000693194_100000761012 [0,1,0,0,0,1|1,0,0]=3 1256 B10R0.55 CNC(=O)CNCC=C(C)C 34a_100000718196_100000183359 [0,1,0,0,0,1|1,0,0]=3 1257 B10R0.55 CNC(=O)COCC=C(C)C 34a_100000750040_100000761012 [0,1,0,0,0,1|0,1,0]=3 1258 B10R0.55 CNC(=O)COCC=C(C)C 34a_100000753907_100000183359 [0,1,0,0,0,1|0,1,0]=3 1259 B10R0.55 CNC(=O)CSCC=C(C)C 62a_100000183359_100000761012 [0,1,0,0,0,1|0,0,0]=2 1260 B10R0.55 CNC(=O)CSCC=C(C)C 62a_100000761012_100000183359 [0,1,0,0,0,1|0,0,0]=2 1261 B10R0.55 CNC(=O)CSCCC(=O)C 62a_100000053229_100000183359 [0,1,0,0,0,1|1,0,1]=4 1262 B10R0.55 CNC(=O)CSCCC(=O)C 62a_100000183359_100000053229 [0,1,0,0,0,1|1,0,1]=4 1263 B10R0.55 CNC(=O)CSCCC(C)C 62a_100000183359_100000210312 [0,1,0,0,0,1|0,0,2]=4 1264 B10R0.55 CNC(=O)CSCCC(C)C 62a_100000210312_100000183359 [0,1,0,0,0,1|0,0,2]=4 1265 B10R0.55 CNC(=O)CSCCN(C)C 62a_100000183359_100000755713 [0,1,0,0,0,1|1,0,1]=4 1266 B10R0.55 CNC(=O)CSCOC(=O)C 62a_100000076356_100000183359 [0,1,0,0,0,1|2,0,0]=4 1267 B10R0.55 CNC(=O)CSCOC(=O)C 62a_100000183359_100000076356 [0,1,0,0,0,1|2,0,0]=4 1268 B10R0.55 CNC(=O)CSCOC(C)C 62a_100000183359_100000709892 [0,1,0,0,0,1|1,0,1]=4 1269 B10R0.55 CNC(=O)CSCOC(C)C 62a_100000709892_100000183359 [0,1,0,0,0,1|1,0,1]=4 1270 B10R0.55 CNC(=O)NCCSC(=O)C 2708a_100020647217_106832991635 [0,1,0,0,0,1|1,0,1]=4 1271 B10R0.55 CNC(=O)NCCSC(=O)C 2708a_100102657272_100020647217 [0,1,0,0,0,1|1,0,1]=4 1272 B10R0.55 CNC(=O)NCCSC(=O)C 273464a_100020647217_100102657272 [0,1,0,0,0,1|1,0,1]=4 1273 B10R0.55 CNC(=O)NCCSC(=O)C 273464a_100102657272_100020647217 [0,1,0,0,0,1|1,0,1]=4 1274 B10R0.55 CNC(=O)NCCSC(=O)C 512a_100020647217_100102657272 [0,1,0,0,0,1|1,0,1]=4 1275 B10R0.55 CNC(=O)NCCSC(=O)C 512a_106832991638_100020647217 [0,1,0,0,0,1|1,0,1]=4 1276 B10R0.55 COC(=O)CNCC=C(C)C 34a_100000718196_100000747449 [0,1,0,0,0,1|1,0,0]=3 1277 B10R0.55 COC(=O)COCC=C(C)C 34a_100000753907_100000747449 [0,1,0,0,0,1|0,1,0]=3 1278 B10R0.55 COC(=O)CSCC=C(C)C 62a_100000747449_100000761012 [0,1,0,0,0,1|0,0,0]=2 1279 B10R0.55 COC(=O)CSCC=C(C)C 62a_100000761012_100000747449 [0,1,0,0,0,1|0,0,0]=2 1280 B10R0.55 COC(=O)CSCCC(=O)C 62a_100000053229_100000747449 [0,1,0,0,0,1|1,0,1]=4 1281 B10R0.55 COC(=O)CSCCC(=O)C 62a_100000747449_100000053229 [0,1,0,0,0,1|1,0,1]=4 1282 B10R0.55 COC(=O)CSCCC(C)C 62a_100000210312_100000747449 [0,1,0,0,0,1|0,0,2]=4 1283 B10R0.55 COC(=O)CSCCC(C)C 62a_100000747449_100000210312 [0,1,0,0,0,1|0,0,2]=4 1284 B10R0.55 COC(=O)CSCCN(C)C 62a_100000747449_100000755713 [0,1,0,0,0,1|1,0,1]=4 1285 B10R0.55 COC(=O)CSCOC(=O)C 62a_100000076356_100000747449 [0,1,0,0,0,1|2,0,0]=4 1286 B10R0.55 COC(=O)CSCOC(=O)C 62a_100000747449_100000076356 [0,1,0,0,0,1|2,0,0]=4 1287 B10R0.55 COC(=O)CSCOC(C)C 62a_100000709892_100000747449 [0,1,0,0,0,1|1,0,1]=4 1288 B10R0.55 COC(=O)CSCOC(C)C 62a_100000747449_100000709892 [0,1,0,0,0,1|1,0,1]=4 1289 B10R0.55 COC(C)SCCC=C(C)C 62a_100009879195_100011217483 [0,1,0,0,0,1|0,0,2]=4 1290 B10R0.55 COC(C)SCCC=C(C)C 62a_100011217483_100009879195 [0,1,0,0,0,1|0,0,2]=4 1291 B10R0.96 C=C(C)CC(=O)CC=C(C)C 1458a_100011220947_100000748629 [0,1,0,0,0,1|2,0,0]=4 1292 B10R0.96 C=C(C)CC(=O)CNC(=O)C 1458a_100000194580_100000748629 [0,1,0,0,0,1|1,0,1]=4 1293 B10R0.96 C=C(C)CC(=O)COC(=O)C 1458a_100000183556_100000748629 [0,1,0,0,0,1|0,1,1]=4 1294 B10R0.96 C=C(C)CC(=O)CSC(=O)C 1458a_100000049016_100000748629 [0,1,0,0,0,1|0,0,1]=3 1295 B10R0.96 C=C(C)CCC(=O)C=C(C)C 1458a_100000211388_100000730704 [0,1,0,0,0,1|2,0,0]=4 1296 B10R0.96 C=C(C)CN(C)CC=C(C)C 2230a_100000225649_100000761012 [0,1,0,0,0,1|2,0,0]=4 1297 B10R0.96 C=C(C)CN(C)CC=C(C)C 269982a_100000225649_100000761012 [0,1,0,0,0,1|2,0,0]=4 1298 B10R0.96 C=C(C)COC(C)C=C(C)C 34a_100000717055_100000748629 [0,1,0,0,0,1|1,1,0]=4 1299 B10R0.96 C=C(F)CC(=O)CSC(=O)C 1458a_100000049016_100009893438 [0,1,0,0,0,1|1,0,1]=4 1300 B10R0.96 CC(=CC(C)OCC(=O)N)C 34a_100000717055_100000187820 [0,1,0,0,0,1|1,1,0]=4 1301 B10R0.96 CC(=CC(C)OCC(=O)[O-])C 34a_100000717055_100020667443 [0,1,0,0,0,1|1,1,0]=4 1302 B10R0.96 CC(=CCC(=O)C=C(C)C)C 1458a_100000211388_100000761012 [0,1,0,0,0,1|2,0,0]=4 1303 B10R0.96 CC(=CCC(=O)C=C(C)Cl)C 1458a_200042562850_100000761012 [0,1,0,0,0,1|2,0,0]=4 1304 B10R0.96 CC(=CCC(=O)C=C(C)I)C 1458a_100025716642_100000761012 [0,1,0,0,0,1|2,0,0]=4 1305 B10R0.96 CC(=CCC(=O)CC(=O)N)C 1458a_100011220947_100000187820 [0,1,0,0,0,1|2,0,0]=4 1306 B10R0.96 CC(=CCC(=O)CC(=O)N)C 1458a_100134613110_100000761012 [0,1,0,0,0,1|2,0,0]=4 1307 B10R0.96 CC(=CCC(=O)CC(=O)[O-])C 1458a_100011220947_100020667443 [0,1,0,0,0,1|2,0,0]=4 1308 B10R0.96 CC(=CCN(C)CC(=O)N)C 2230a_100000739694_100000761012 [0,1,0,0,0,1|2,0,0]=4 1309 B10R0.96 CC(=CCN(C)CC(=O)O)C 269956a_100000746989_100000761012 [0,1,0,0,0,1|2,0,0]=4 1310 B10R0.96 CC(=O)CC(C)CSC(=O)C 1458a_100000070787_200000116872 [0,1,0,0,0,1|1,0,1]=4 1311 B10R0.96 CC(=O)CCC(=O)NC(C)C 1458a_100000070787_100000737564 [0,1,0,0,0,1|1,0,1]=4 1312 B10R0.96 CC(=O)CCC(=O)NN(C)C 1458a_100011219620_200000210301 [0,1,0,0,0,1|2,0,0]=4 1313 B10R0.96 CC(=O)CCC(=O)OC(C)C 1458a_100000070787_100000760027 [0,1,0,0,0,1|1,0,1]=4 1314 B10R0.96 CC(=O)NCC(=O)CC(C)C 1458a_100000194580_100000210624 [0,1,0,0,0,1|1,0,1]=4 1315 B10R0.96 CC(=O)NCC(=O)NC(C)C 11a_100000168517_100015343762 [0,1,0,0,0,1|1,0,1]=4 1316 B10R0.96 CC(=O)NCC(=O)NC(C)C 11a_100138425928_100000194580 [0,1,0,0,0,1|1,0,1]=4 1317 B10R0.96 CC(=O)NCC(=O)NC(C)C 1626a_100000168517_100015343762 [0,1,0,0,0,1|1,0,1]=4 1318 B10R0.96 CC(=O)NCC(=O)NC(C)C 1626a_100138425928_100000194580 [0,1,0,0,0,1|1,0,1]=4 1319 B10R0.96 CC(=O)NCC(=O)NC(C)C 240690a_100000168517_100015343762 [0,1,0,0,0,1|1,0,1]=4 1320 B10R0.96 CC(=O)NCC(=O)NC(C)C 240690a_100138425928_100000194580 [0,1,0,0,0,1|1,0,1]=4 1321 B10R0.96 CC(=O)NCC(=O)NC(C)C 527a_100000168517_100103153847 [0,1,0,0,0,1|1,0,1]=4 1322 B10R0.96 CC(=O)NCC(=O)NC(C)C 527a_100138425928_100000194580 [0,1,0,0,0,1|1,0,1]=4 1323 B10R0.96 CC(=O)NNC(=O)C=C(C)C 22a_100000189765_100000211388 [0,1,0,0,0,1|1,0,1]=4 1324 B10R0.96 CC(=O)OCC(=O)CC(C)C 1458a_100000183556_100000210624 [0,1,0,0,0,1|0,1,1]=4 1325 B10R0.96 CC(=O)OCC(=O)CN(C)C 269982a_100102631434_100000036994 [0,1,0,0,0,1|1,1,0]=4 1326 B10R0.96 CC(=O)OCC(=O)NC(C)C 1626a_100138425928_100000183556 [0,1,0,0,0,1|0,1,1]=4 1327 B10R0.96 CC(=O)OCC(=O)NC(C)C 240690a_100138425928_100000183556 [0,1,0,0,0,1|0,1,1]=4 1328 B10R0.96 CC(=O)OCC(=O)NC(C)C 527a_100138425928_100000183556 [0,1,0,0,0,1|0,1,1]=4 1329 B10R0.96 CC(=O)SCC(=O)CC(=O)N 1458a_100000049016_100000187820 [0,1,0,0,0,1|2,0,0]=4 1330 B10R0.96 CC(=O)SCC(=O)CC(=O)[O-] 1458a_100000049016_100020667443 [0,1,0,0,0,1|2,0,0]=4 1331 B10R0.96 CC(=O)SCC(=O)CC(C)C 1458a_100000049016_100000210624 [0,1,0,0,0,1|0,0,1]=3 1332 B10R0.96 CC(=O)SCC(=O)CC(C)O 1458a_100000049016_100011218427 [0,1,0,0,0,1|1,0,1]=4 1333 B10R0.96 CC(=O)SCC(=O)NC(C)C 11a_100138425928_100000049016 [0,1,0,0,0,1|0,0,1]=3 1334 B10R0.96 CC(=O)SCC(=O)NC(C)C 1626a_100138425928_100000049016 [0,1,0,0,0,1|0,0,1]=3 1335 B10R0.96 CC(=O)SCC(=O)NC(C)C 240690a_100138425928_100000049016 [0,1,0,0,0,1|0,0,1]=3 1336 B10R0.96 CC(=O)SCC(C)CN(C)C 2230a_100102631434_200000116872 [0,1,0,0,0,1|1,0,1]=4 1337 B10R0.96 CC(=O)SCC(C)CN(C)C 269982a_100102631434_200000116872 [0,1,0,0,0,1|1,0,1]=4 1338 B10R0.96 CC(C)NC(=O)CSC(=O)N 240690a_100138425928_200015941356 [0,1,0,0,0,1|1,0,1]=4 1339 B10R0.96 CN(C)NC(=O)CCC(=O)[13CH3] 1458a_100011219620_200025704644 [0,1,0,0,0,1|2,0,0]=4 1340 B10R0.98 C=C(C)C(=O)CCC=C(C)C 1458a_100000185857_100011217483 [0,1,0,0,0,1|2,0,0]=4 1341 B10R0.98 C=C(C)C(=O)CCCC(=O)C 1458a_100000185857_100011215641 [0,1,0,0,0,1|1,0,1]=4 1342 B10R0.98 C=C(C)C(=O)CCNC(=O)C 1458a_100000185857_100000189650 [0,1,0,0,0,1|1,0,1]=4 1343 B10R0.98 C=C(C)C(=O)CCOC(=O)C 1458a_100000185857_100009814007 [0,1,0,0,0,1|0,1,1]=4 1344 B10R0.98 C=C(C)C(=O)NCC=C(C)C 11a_100000718196_100000185857 [0,1,0,0,0,1|2,0,0]=4 1345 B10R0.98 C=C(C)C(=O)NCC=C(C)C 1626a_100000718196_100000185857 [0,1,0,0,0,1|2,0,0]=4 1346 B10R0.98 C=C(C)C(=O)OCCC(=O)C 1458a_100000070787_100009816335 [0,1,0,0,0,1|1,0,1]=4 1347 B10R0.98 C=C(C)CCSC(C)C(=O)C 62a_100000730704_100009814033 [0,1,0,0,0,1|0,0,2]=4 1348 B10R0.98 C=C(C)CCSC(C)C(=O)C 62a_100009814033_100000730704 [0,1,0,0,0,1|0,0,2]=4 1349 B10R0.98 C=C(C)CSCC(=O)C(=O)C 62a_100000748629_100011261029 [0,1,0,0,0,1|2,0,0]=4 1350 B10R0.98 C=C(C)CSCC(=O)C(=O)C 62a_100011261029_100000211660 [0,1,0,0,0,1|2,0,0]=4 1351 B10R0.98 C=C(C)CSCC(=O)C(C)C 62a_100000748629_100000753385 [0,1,0,0,0,1|1,0,1]=4 1352 B10R0.98 C=C(C)CSCC(=O)C(C)C 62a_100000753385_100000211660 [0,1,0,0,0,1|1,0,1]=4 1353 B10R0.98 C=C(C)CSCC(=O)N(C)C 62a_100000692301_100000211660 [0,1,0,0,0,1|2,0,0]=4 1354 B10R0.98 C=C(C)CSCC(=O)N(C)C 62a_100000748629_100000692301 [0,1,0,0,0,1|2,0,0]=4 1355 B10R0.98 CC(=CCNC(C)C(=O)N)C 34a_100000718196_100000702099 [0,1,0,0,0,1|2,0,0]=4 1356 B10R0.98 CC(=CCNC(F)C(=O)N)C 34a_100000718196_100009813875 [0,1,0,0,0,1|2,0,0]=4 1357 B10R0.98 CC(=CCNC(F)C(=O)[O-])C 34a_100000718196_100020610796 [0,1,0,0,0,1|2,0,0]=4 1358 B10R0.98 CC(=CCN[C@@H](C)C(=O)O)C 269956a_100000743915_100000761012 [0,1,0,0,0,1|2,0,0]=4 1359 B10R0.98 CC(=CCN[C@H](C)C(=O)N)C 2230a_100000119354_100000761012 [0,1,0,0,0,1|2,0,0]=4 1360 B10R0.98 CC(=CCN[C@H](C)C(=O)N)C 34a_100000119354_100000761012 [0,1,0,0,0,1|2,0,0]=4 1361 B10R0.98 CC(=CCOC(C)C(=O)N)C 34a_100000753907_100000702099 [0,1,0,0,0,1|1,1,0]=4 1362 B10R0.98 CC(=CCOC(F)C(=O)N)C 34a_100000753907_100009813875 [0,1,0,0,0,1|1,1,0]=4 1363 B10R0.98 CC(=CCOC(F)C(=O)[O-])C 34a_100000753907_100020610796 [0,1,0,0,0,1|1,1,0]=4 1364 B10R0.98 CC(=CCO[C@@H](C)C(=O)[O-])C 7a_217856618621_100000761012 [0,1,0,0,0,1|1,1,0]=4 1365 B10R0.98 CC(=CCO[C@H](C)C(=O)N)C 34a_100000731257_100000761012 [0,1,0,0,0,1|1,1,0]=4 1366 B10R0.98 CC(=CCO[C@H](C)C(=O)N)C 7a_100000731257_100000761012 [0,1,0,0,0,1|1,1,0]=4 1367 B10R0.98 CC(=CCSC(C)C(=O)N)C 62a_100000702099_100000761012 [0,1,0,0,0,1|1,0,0]=3 1368 B10R0.98 CC(=CCSC(C)C(=O)N)C 62a_100000761012_100000702099 [0,1,0,0,0,1|1,0,0]=3 1369 B10R0.98 CC(=CCSC(F)C(=O)N)C 62a_100000761012_100009813875 [0,1,0,0,0,1|1,0,0]=3 1370 B10R0.98 CC(=CCSC(F)C(=O)N)C 62a_100009813875_100000761012 [0,1,0,0,0,1|1,0,0]=3 1371 B10R0.98 CC(=CCSC(F)C(=O)[O-])C 62a_100000761012_100020610796 [0,1,0,0,0,1|1,0,0]=3 1372 B10R0.98 CC(=CCSC(F)C(=O)[O-])C 62a_100020610796_100000761012 [0,1,0,0,0,1|1,0,0]=3 1373 B10R0.98 CC(=O)C(=O)CSCC(=O)N 62a_100000747473_100011261029 [0,1,0,0,0,1|2,0,0]=4 1374 B10R0.98 CC(=O)C(=O)CSCC(=O)N 62a_100011261029_100000747473 [0,1,0,0,0,1|2,0,0]=4 1375 B10R0.98 CC(=O)C(=O)CSCC(=O)[O-] 62a_100011261029_100020667443 [0,1,0,0,0,1|2,0,0]=4 1376 B10R0.98 CC(=O)C(=O)CSCC(=O)[O-] 62a_100020667443_100011261029 [0,1,0,0,0,1|2,0,0]=4 1377 B10R0.98 CC(=O)C(C)OCC=C(C)C 34a_100000212229_100000761012 [0,1,0,0,0,1|0,1,0]=3 1378 B10R0.98 CC(=O)C(C)SCC=C(C)C 62a_100000761012_100009814033 [0,1,0,0,0,1|0,0,0]=2 1379 B10R0.98 CC(=O)C(C)SCC=C(C)C 62a_100009814033_100000761012 [0,1,0,0,0,1|0,0,0]=2 1380 B10R0.98 CC(=O)C(C)SCCC(C)C 62a_100000210312_100009814033 [0,1,0,0,0,1|0,0,2]=4 1381 B10R0.98 CC(=O)C(C)SCCC(C)C 62a_100009814033_100000210312 [0,1,0,0,0,1|0,0,2]=4 1382 B10R0.98 CC(=O)C(C)SCCN(C)C 62a_100009814033_100000755713 [0,1,0,0,0,1|1,0,1]=4 1383 B10R0.98 CC(=O)C(C)SCOC(C)C 62a_100000709892_100009814033 [0,1,0,0,0,1|1,0,1]=4 1384 B10R0.98 CC(=O)C(C)SCOC(C)C 62a_100009814033_100000709892 [0,1,0,0,0,1|1,0,1]=4 1385 B10R0.98 CC(=O)CCCC(=O)C(C)C 1458a_100000210198_100011215641 [0,1,0,0,0,1|1,0,1]=4 1386 B10R0.98 CC(=O)CCCC(=O)N(C)C 1458a_100000070787_100000737642 [0,1,0,0,0,1|2,0,0]=4 1387 B10R0.98 CC(=O)CCSC(C)C(=O)C 62a_100000053229_100009814033 [0,1,0,0,0,1|1,0,1]=4 1388 B10R0.98 CC(=O)CCSC(C)C(=O)C 62a_100009814033_100000053229 [0,1,0,0,0,1|1,0,1]=4 1389 B10R0.98 CC(=O)COCC(=O)C(=O)C 34a_100000211253_100011261029 [0,1,0,0,0,1|1,1,0]=4 1390 B10R0.98 CC(=O)COCC(=O)C(C)C 34a_100000211253_100000753385 [0,1,0,0,0,1|0,1,1]=4 1391 B10R0.98 CC(=O)COCC(=O)N(C)C 34a_100000211253_100000692301 [0,1,0,0,0,1|1,1,0]=4 1392 B10R0.98 CC(=O)CSCC(=O)N(C)C 1458a_100000150165_200000210301 [0,1,0,0,0,1|1,0,0]=3 1393 B10R0.98 CC(=O)NCCC(=O)C(C)C 1458a_100000183196_100000210206 [0,1,0,0,0,1|1,0,1]=4 1394 B10R0.98 CC(=O)NCCC(=O)C(C)C 1458a_100000210198_100000189650 [0,1,0,0,0,1|1,0,1]=4 1395 B10R0.98 CC(=O)NCCC(=O)N(C)C 11a_100000738053_100015343762 [0,1,0,0,0,1|2,0,0]=4 1396 B10R0.98 CC(=O)NCCC(=O)N(C)C 11a_100102631434_100000183196 [0,1,0,0,0,1|2,0,0]=4 1397 B10R0.98 CC(=O)NCCC(=O)N(C)C 1626a_100102631434_100000183196 [0,1,0,0,0,1|2,0,0]=4 1398 B10R0.98 CC(=O)NCCC(=O)N(C)C 240690a_100000738053_100015343762 [0,1,0,0,0,1|2,0,0]=4 1399 B10R0.98 CC(=O)NCCC(=O)N(C)C 240690a_100102631434_100000183196 [0,1,0,0,0,1|2,0,0]=4 1400 B10R0.98 CC(=O)NCCC(=O)N(C)C 527a_100000738053_100103153847 [0,1,0,0,0,1|2,0,0]=4 1401 B10R0.98 CC(=O)NCCC(=O)N(C)C 527a_100102631434_100000183196 [0,1,0,0,0,1|2,0,0]=4 1402 B10R0.98 CC(=O)OCCC(=O)C(C)C 1458a_100000210198_100009814007 [0,1,0,0,0,1|0,1,1]=4 1403 B10R0.98 CC(=O)OCSC(C)C(=O)C 62a_100000076356_100009814033 [0,1,0,0,0,1|2,0,0]=4 1404 B10R0.98 CC(=O)OCSC(C)C(=O)C 62a_100009814033_100000076356 [0,1,0,0,0,1|2,0,0]=4 1405 B10R0.98 CC(=O)SCCC(=O)C(C)C 1458a_100000048949_100000210206 [0,1,0,0,0,1|0,0,1]=3 1406 B10R0.98 CC(=O)SCCC(=O)N(C)C 1626a_100102631434_100000048949 [0,1,0,0,0,1|1,0,0]=3 1407 B10R0.98 CC(=O)SCCC(=O)N(C)C 240690a_100102631434_100000048949 [0,1,0,0,0,1|1,0,0]=3 1408 B10R0.98 CC(C)C(=O)CSCC(=O)N 62a_100000747473_100000753385 [0,1,0,0,0,1|1,0,1]=4 1409 B10R0.98 CC(C)C(=O)CSCC(=O)N 62a_100000753385_100000747473 [0,1,0,0,0,1|1,0,1]=4 1410 B10R0.98 CC(C)C(=O)CSCC(=O)[O-] 62a_100000753385_100020667443 [0,1,0,0,0,1|1,0,1]=4 1411 B10R0.98 CC(C)C(=O)CSCC(=O)[O-] 62a_100020667443_100000753385 [0,1,0,0,0,1|1,0,1]=4 1412 B10R0.98 CN(C)C(=O)CSCC(=O)N 11a_100102631434_100000150265 [0,1,0,0,0,1|2,0,0]=4 1413 B10R0.98 CN(C)C(=O)CSCC(=O)N 240690a_100102631434_100000150265 [0,1,0,0,0,1|2,0,0]=4 1414 B10R0.98 CN(C)C(=O)CSCC(=O)N 527a_100102631434_100000150265 [0,1,0,0,0,1|2,0,0]=4 1415 B10R0.98 CN(C)C(=O)CSCC(=O)N 62a_100000692301_100000747473 [0,1,0,0,0,1|2,0,0]=4 1416 B10R0.98 CN(C)C(=O)CSCC(=O)N 62a_100000747473_100000692301 [0,1,0,0,0,1|2,0,0]=4 1417 B10R0.98 CN(C)C(=O)CSCC(=O)[13CH3] 1458a_100000150165_200025704644 [0,1,0,0,0,1|1,0,0]=3 1418 B10R0.98 CN(C)C(=O)CSCC(=O)[O-] 62a_100000692301_100020667443 [0,1,0,0,0,1|2,0,0]=4 1419 B10R0.98 CN(C)C(=O)CSCC(=O)[O-] 62a_100020667443_100000692301 [0,1,0,0,0,1|2,0,0]=4 1420 B10R0.3 C#CCC(=O)CCC=C(C)C 1458a_100011220946_100011217483 [0,2,0,0,0,0|1,0,0]=3 1421 B10R0.3 C#CCC(=O)CCSC(=O)C 1458a_100000048949_100000184674 [0,2,0,0,0,0|1,0,1]=4 1422 B10R0.3 C#CCC(=O)NCC=C(C)C 1626a_100000718196_100011220946 [0,2,0,0,0,0|1,0,0]=3 1423 B10R0.3 C#CCC(=O)NCC=C(C)C 527a_100000718196_100011220946 [0,2,0,0,0,0|1,0,0]=3 1424 B10R0.3 C=CCC(=O)CCC=C(C)C 1458a_100000210193_100011217483 [0,2,0,0,0,0|1,0,0]=3 1425 B10R0.3 C=CCC(=O)CCSC(=O)C 1458a_100000048949_100000210623 [0,2,0,0,0,0|1,0,1]=4 1426 B10R0.3 C=CCC(=O)NCC=C(C)C 11a_100000718196_100000210193 [0,2,0,0,0,0|1,0,0]=3 1427 B10R0.3 C=CCC(=O)NCC=C(C)C 1626a_100000718196_100000210193 [0,2,0,0,0,0|1,0,0]=3 1428 B10R0.3 C=CCC(=O)NCC=C(C)C 527a_100000718196_100000210193 [0,2,0,0,0,0|1,0,0]=3 1429 B10R0.3 CC#CC(=O)CCC=C(C)C 1458a_100000763181_100011217483 [0,2,0,0,0,0|1,0,0]=3 1430 B10R0.3 CC(=CCCC(=O)C=CBr)C 1458a_100016273825_100011217483 [0,2,0,0,0,0|1,0,1]=4 1431 B10R0.3 CC(=CCCC(=O)C=CCl)C 1458a_200016279998_100011217483 [0,2,0,0,0,0|1,0,1]=4 1432 B10R0.3 CC(=CCCC(=O)C=CI)C 1458a_100016256311_100011217483 [0,2,0,0,0,0|1,0,1]=4 1433 B10R0.3 CC(=CCCC(=O)CC#N)C 1458a_100051588842_100011217483 [0,2,0,0,0,0|1,0,0]=3 1434 B10R0.3 CC(=CCCC(=O)CCO)C 1458a_100011216618_100011217483 [0,2,0,0,0,0|1,0,0]=3 1435 B10R0.3 CC(=CCNC(=O)C=CBr)C 1626a_100000718196_100016273825 [0,2,0,0,0,0|1,0,1]=4 1436 B10R0.3 CC(=CCNC(=O)C=CCl)C 11a_100000718196_200016279998 [0,2,0,0,0,0|1,0,1]=4 1437 B10R0.3 CC(=CCNC(=O)C=CCl)C 1626a_100000718196_200016279998 [0,2,0,0,0,0|1,0,1]=4 1438 B10R0.3 CC(=CCNC(=O)C=CI)C 1626a_100000718196_100016256311 [0,2,0,0,0,0|1,0,1]=4 1439 B10R0.3 CC(=CCNC(=O)CC#N)C 1626a_100000718196_100051588842 [0,2,0,0,0,0|1,0,0]=3 1440 B10R0.3 CC(=CCSC(C)CC#N)C 62a_100000761012_100009813641 [0,2,0,0,0,0|1,0,1]=4 1441 B10R0.3 CC(=CCSC(C)CC#N)C 62a_100009813641_100000761012 [0,2,0,0,0,0|1,0,1]=4 1442 B10R0.3 CC(=CCSC(C)CCO)C 62a_100000761012_100009893172 [0,2,0,0,0,0|0,0,2]=4 1443 B10R0.3 CC(=CCSC(C)CCO)C 62a_100009893172_100000761012 [0,2,0,0,0,0|0,0,2]=4 1444 B10R0.3 CC(=O)SCCC(=O)CC#N 1458a_100000048949_100011214920 [0,2,0,0,0,0|1,0,1]=4 1445 B10R0.3 CC(=O)SCCC(=O)CCF 1458a_100000048949_100011217306 [0,2,0,0,0,0|1,0,1]=4 1446 B10R0.3 CC(=O)SCCC(=O)CCO 1458a_100000048949_100000211926 [0,2,0,0,0,0|1,0,1]=4 1447 B10R0.3 CC/C=C(\C)/C=NNC(=O)C 4a_100000189765_100020678925 [0,2,0,0,0,0|2,0,0]=4 1448 B10R0.3 CC=CC(=O)CCC=C(C)C 1458a_100000210699_100011217483 [0,2,0,0,0,0|1,0,0]=3 1449 B10R0.3 CC=CC(=O)NCC=C(C)C 11a_100000718196_100000210699 [0,2,0,0,0,0|1,0,0]=3 1450 B10R0.3 CC=CC(=O)NCC=C(C)C 1626a_100000718196_100000210699 [0,2,0,0,0,0|1,0,0]=3 1451 B10R0.3 CCCC(=O)CCC=C(C)C 1458a_100000211992_100011217483 [0,2,0,0,0,0|1,0,0]=3 1452 B10R0.3 CCCC(=O)CCSC(=O)C 1458a_100000048949_100000210303 [0,2,0,0,0,0|1,0,1]=4 1453 B10R0.3 CCCC(=O)NCC=C(C)C 11a_100000718196_100000211992 [0,2,0,0,0,0|1,0,0]=3 1454 B10R0.3 CCCC(=O)NCC=C(C)C 1626a_100000718196_100000211992 [0,2,0,0,0,0|1,0,0]=3 1455 B10R0.3 CCCC(=O)NCC=C(C)C 527a_100000718196_100000211992 [0,2,0,0,0,0|1,0,0]=3 1456 B10R0.3 CCCC(C)SCC=C(C)C 62a_100000761012_100000766640 [0,2,0,0,0,0|1,0,1]=4 1457 B10R0.3 CCCC(C)SCC=C(C)C 62a_100000766640_100000761012 [0,2,0,0,0,0|1,0,1]=4 1458 B10R0.3 CCNC(=O)CCSC(=O)C 240690a_100015525214_100000048949 [0,2,0,0,0,0|1,0,1]=4 1459 B10R0.3 CCNC(=O)NCC=C(C)C 2708a_100000718196_100015525214 [0,2,0,0,0,0|1,0,0]=3 1460 B10R0.3 CCNC(=O)NCC=C(C)C 2708a_100015525214_100000718196 [0,2,0,0,0,0|1,0,0]=3 1461 B10R0.3 CCNC(=O)NCC=C(C)C 273464a_100000718196_100015525214 [0,2,0,0,0,0|1,0,0]=3 1462 B10R0.3 CCNC(=O)NCC=C(C)C 273464a_100015525214_100000718196 [0,2,0,0,0,0|1,0,0]=3 1463 B10R0.3 CCNC(=O)NCC=C(C)C 512a_100000718196_100015525214 [0,2,0,0,0,0|1,0,0]=3 1464 B10R0.3 CCNC(=O)NCC=C(C)C 512a_100015525214_100000718196 [0,2,0,0,0,0|1,0,0]=3 1465 B10R0.3 CNNC(=O)NCC=C(C)C 273464a_100000718196_100016993582 [0,2,0,0,0,0|1,0,0]=3 1466 B10R0.3 CNNC(=O)NCC=C(C)C 512a_100000718196_100016993582 [0,2,0,0,0,0|1,0,0]=3 1467 B10R0.3 CNNC(=O)NCC=C(C)C 512a_100016993582_100000718196 [0,2,0,0,0,0|1,0,0]=3 1468 B10R0.3 COCC(=O)CCC=C(C)C 1458a_100000210968_100011217483 [0,2,0,0,0,0|1,0,0]=3 1469 B10R0.3 COCC(=O)NCC=C(C)C 11a_100000718196_100000210968 [0,2,0,0,0,0|1,0,0]=3 1470 B10R0.3 COCC(=O)NCC=C(C)C 1626a_100000718196_100000210968 [0,2,0,0,0,0|1,0,0]=3 1471 B10R0.3 COCC(=O)NCC=C(C)C 527a_100000718196_100000210968 [0,2,0,0,0,0|1,0,0]=3 1472 B10R0.3 COCC(C)SCC=C(C)C 62a_100000761012_100000765312 [0,2,0,0,0,0|0,0,2]=4 1473 B10R0.3 COCC(C)SCC=C(C)C 62a_100000765312_100000761012 [0,2,0,0,0,0|0,0,2]=4 1474 B10R0.3 CSCC(=O)CCC=C(C)C 1458a_100000184570_100011217483 [0,2,0,0,0,0|1,0,0]=3 1475 B10R0.3 CSCC(=O)NCC=C(C)C 11a_100000718196_100000184570 [0,2,0,0,0,0|1,0,0]=3 1476 B10R0.3 CSCC(=O)NCC=C(C)C 1626a_100000718196_100000184570 [0,2,0,0,0,0|1,0,0]=3 1477 B10R0.3 CSCC(=O)NCC=C(C)C 527a_100000718196_100000184570 [0,2,0,0,0,0|1,0,0]=3 1478 B10R0.44 CCC(=O)CC(=O)C=C(C)C 1458a_100000211388_100000747405 [0,2,0,0,0,0|1,0,1]=4 1479 B10R0.44 CNC(=O)CC(=O)C=C(C)C 1458a_100000211388_100000183359 [0,2,0,0,0,0|1,0,1]=4 1480 B10R0.44 COC(=O)CC(=O)C=C(C)C 1458a_100000211388_100000747449 [0,2,0,0,0,0|1,0,1]=4 1481 B10R0.57 C#CC(C)C(=O)CSC(=O)C 1458a_100000049016_200000035995 [0,2,0,0,0,0|0,0,2]=4 1482 B10R0.57 C/C=C(\C)/C(=NNC(=O)C)C 4a_100000189765_100020675665 [0,2,0,0,0,0|2,0,0]=4 1483 B10R0.57 C/C=C(\C)/C(=O)CC=C(C)C 1458a_100020587367_100000761012 [0,2,0,0,0,0|2,0,0]=4 1484 B10R0.57 C/C=C(\C)/C(=O)NNC(=O)C 22a_100000189765_100020587367 [0,2,0,0,0,0|2,0,0]=4 1485 B10R0.57 C=C(C)CCC(=O)/C(=C/C)/C 1458a_100020587367_100000730704 [0,2,0,0,0,0|2,0,0]=4 1486 B10R0.57 CC(=O)SCC(=O)C(C)C#N 1458a_100000049016_100000703298 [0,2,0,0,0,0|0,0,2]=4 1487 B10R0.57 CC(=O)SC[C@@H](C)C(=O)CF 1458a_200015407212_100015361967 [0,2,0,0,0,0|1,0,1]=4 1488 B10R0.57 CCC(=O)[C@H](C)CSC(=O)C 1458a_200015407212_100000210202 [0,2,0,0,0,0|1,0,1]=4 1489 B10R0.57 CCC(C)C(=O)CNC(=O)C 1458a_100000194580_100000758301 [0,2,0,0,0,0|1,0,1]=4 1490 B10R0.57 CCC(C)C(=O)COC(=O)C 1458a_100000183556_100000758301 [0,2,0,0,0,0|0,1,1]=4 1491 B10R0.57 CCC(C)C(=O)CSC(=O)C 1458a_100000049016_100000758301 [0,2,0,0,0,0|0,0,1]=3 1492 B10R0.57 CCN(C)C(=O)CNC(=O)C 11a_100000225621_100000194580 [0,2,0,0,0,0|2,0,0]=4 1493 B10R0.57 CCN(C)C(=O)CNC(=O)C 1626a_100000225621_100000194580 [0,2,0,0,0,0|2,0,0]=4 1494 B10R0.57 CCN(C)C(=O)CNC(=O)C 240690a_100000225621_100000194580 [0,2,0,0,0,0|2,0,0]=4 1495 B10R0.57 CCN(C)C(=O)CNC(=O)C 527a_100000225621_100000194580 [0,2,0,0,0,0|2,0,0]=4 1496 B10R0.57 CCN(C)C(=O)COC(=O)C 1626a_100000225621_100000183556 [0,2,0,0,0,0|1,1,0]=4 1497 B10R0.57 CCN(C)C(=O)COC(=O)C 240690a_100000225621_100000183556 [0,2,0,0,0,0|1,1,0]=4 1498 B10R0.57 CCN(C)C(=O)COC(=O)C 527a_100000225621_100000183556 [0,2,0,0,0,0|1,1,0]=4 1499 B10R0.57 CCN(C)C(=O)CSC(=O)C 11a_100000225621_100000049016 [0,2,0,0,0,0|1,0,0]=3 1500 B10R0.57 CCN(C)C(=O)CSC(=O)C 1626a_100000225621_100000049016 [0,2,0,0,0,0|1,0,0]=3 1501 B10R0.57 CCN(C)C(=O)CSC(=O)C 240690a_100000225621_100000049016 [0,2,0,0,0,0|1,0,0]=3 1502 B10R0.57 CCN(C)C(=O)CSC(=O)N 240690a_100000225621_200015941356 [0,2,0,0,0,0|2,0,0]=4 1503 B10R0.57 CNC(=O)C(=O)CC=C(C)C 1458a_100011218921_100000761012 [0,2,0,0,0,0|1,0,0]=3 1504 B10R0.57 CNC(=O)[C@H](C)CSC(=O)C 11a_106832991635_200015407212 [0,2,0,0,0,0|1,0,1]=4 1505 B10R0.57 CNC(=O)[C@H](C)CSC(=O)C 1626a_100102657272_200015407212 [0,2,0,0,0,0|1,0,1]=4 1506 B10R0.57 CNC(=O)[C@H](C)CSC(=O)C 240690a_100102657272_200015407212 [0,2,0,0,0,0|1,0,1]=4 1507 B10R0.57 CNC(=O)[C@H](C)CSC(=O)C 527a_100102657272_200015407212 [0,2,0,0,0,0|1,0,1]=4 1508 B10R0.57 CON(C)C(=O)CNC(=O)C 11a_100015207273_100015343762 [0,2,0,0,0,0|2,0,0]=4 1509 B10R0.57 CON(C)C(=O)CNC(=O)C 527a_100015207273_100103153847 [0,2,0,0,0,0|2,0,0]=4 1510 B10R0.59 C/C=C(\C)/C=NNC(=O)CC 4a_100000183195_100020587592 [0,2,0,0,0,0|2,0,0]=4 1511 B10R0.65 C#CC(C)(C)SCC=C(C)C 62a_100000038118_100000761012 [0,2,0,0,0,0|1,0,1]=4 1512 B10R0.65 C#CC(C)(C)SCC=C(C)C 62a_100000761012_100000038118 [0,2,0,0,0,0|1,0,1]=4 1513 B10R0.65 CC(=CCNS(=O)(=O)CCl)C 270084a_100000718196_100000031410 [0,2,0,0,0,0|2,0,0]=4 1514 B10R0.65 CC(=CCNS(=O)(=O)CCl)C 274078a_100000718196_100000031410 [0,2,0,0,0,0|2,0,0]=4 1515 B10R0.65 CC(=CCSC(C)(C)C#N)C 62a_100000761012_100011162410 [0,2,0,0,0,0|1,0,1]=4 1516 B10R0.65 CC(=CCSC(C)(C)C#N)C 62a_100011162410_100000761012 [0,2,0,0,0,0|1,0,1]=4 1517 B10R0.65 CC(=CCSC(F)(F)CO)C 62a_100000761012_100011217949 [0,2,0,0,0,0|1,0,1]=4 1518 B10R0.65 CC(=CCSC(F)(F)CO)C 62a_100011217949_100000761012 [0,2,0,0,0,0|1,0,1]=4 1519 B10R0.65 CCC(C)(C)SCC=C(C)C 62a_100000032637_100000761012 [0,2,0,0,0,0|1,0,1]=4 1520 B10R0.65 CCC(C)(C)SCC=C(C)C 62a_100000761012_100000032637 [0,2,0,0,0,0|1,0,1]=4 1521 B10R0.65 CCS(=O)(=O)NCC=C(C)C 270084a_100000718196_100000211323 [0,2,0,0,0,0|2,0,0]=4 1522 B10R0.65 CCS(=O)(=O)NCC=C(C)C 274078a_100000718196_100000211323 [0,2,0,0,0,0|2,0,0]=4 1523 B10R0.65 CCS(=O)(=O)NCC=C(C)C 40a_100000718196_100000053943 [0,2,0,0,0,0|2,0,0]=4 1524 B10R0.77 CC(=CCSC(C=O)C=O)C 62a_100000736813_100000761012 [0,2,0,0,0,0|0,0,2]=4 1525 B10R0.77 CC(=CCSC(C=O)C=O)C 62a_100000761012_100000736813 [0,2,0,0,0,0|0,0,2]=4 1526 B10R0.77 CCC(CC)SCC=C(C)C 62a_100000210505_100000761012 [0,2,0,0,0,0|1,0,1]=4 1527 B10R0.77 CCC(CC)SCC=C(C)C 62a_100000761012_100000210505 [0,2,0,0,0,0|1,0,1]=4 1528 B10R0.82 CCC(=O)CCC(=O)N(C)C 1458a_100011200748_100000210202 [0,2,0,0,0,0|2,0,0]=4 1529 B10R0.82 CCC(=O)NCC(=O)C(C)C 1458a_100000194589_100000210206 [0,2,0,0,0,0|1,0,1]=4 1530 B10R0.82 CCC(=O)NCC(=O)N(C)C 11a_100015183351_100000210414 [0,2,0,0,0,0|2,0,0]=4 1531 B10R0.82 CCC(=O)NCC(=O)N(C)C 11a_100102631434_100000194589 [0,2,0,0,0,0|2,0,0]=4 1532 B10R0.82 CCC(=O)NCC(=O)N(C)C 1626a_100102631434_100000194589 [0,2,0,0,0,0|2,0,0]=4 1533 B10R0.82 CCC(=O)NCC(=O)N(C)C 240690a_100015183351_100000210414 [0,2,0,0,0,0|2,0,0]=4 1534 B10R0.82 CCC(=O)NCC(=O)N(C)C 240690a_100102631434_100000194589 [0,2,0,0,0,0|2,0,0]=4 1535 B10R0.82 CCC(=O)NCC(=O)N(C)C 527a_100015183351_100000210414 [0,2,0,0,0,0|2,0,0]=4 1536 B10R0.82 CCC(=O)NCC(=O)N(C)C 527a_100102631434_100000194589 [0,2,0,0,0,0|2,0,0]=4 1537 B10R0.82 CN(C)C(=O)CCC(=O)CF 1458a_100011200748_100015361967 [0,2,0,0,0,0|2,0,0]=4 1538 B10R0.82 CN(C)C(=O)CNC(=O)CO 240690a_100015183351_100000210174 [0,2,0,0,0,0|2,0,0]=4 1539 B10R0.82 CN(C)C(=O)CNC(=O)CO 527a_100015183351_100000210174 [0,2,0,0,0,0|2,0,0]=4 1540 B10R0.82 CNC(=O)CCC(=O)C(C)C 1458a_100011309844_100000210206 [0,2,0,0,0,0|1,0,1]=4 1541 B10R0.82 CNC(=O)CCC(=O)N(C)C 11a_100102631434_100011309844 [0,2,0,0,0,0|2,0,0]=4 1542 B10R0.82 CNC(=O)CCC(=O)N(C)C 11a_106832991635_100011200748 [0,2,0,0,0,0|2,0,0]=4 1543 B10R0.82 CNC(=O)CCC(=O)N(C)C 1626a_100102631434_100011309844 [0,2,0,0,0,0|2,0,0]=4 1544 B10R0.82 CNC(=O)CCC(=O)N(C)C 1626a_100102657272_100011200748 [0,2,0,0,0,0|2,0,0]=4 1545 B10R0.82 CNC(=O)CCC(=O)N(C)C 240690a_100102631434_100011309844 [0,2,0,0,0,0|2,0,0]=4 1546 B10R0.82 CNC(=O)CCC(=O)N(C)C 240690a_100102657272_100011200748 [0,2,0,0,0,0|2,0,0]=4 1547 B10R0.82 CNC(=O)CCC(=O)N(C)C 527a_100102631434_100011309844 [0,2,0,0,0,0|2,0,0]=4 1548 B10R0.82 CNC(=O)CCC(=O)N(C)C 527a_100102657272_100011200748 [0,2,0,0,0,0|2,0,0]=4 1549 B10R0.82 CNC(=O)NCC(=O)N(C)C 2708a_100015183351_106832991635 [0,2,0,0,0,0|2,0,0]=4 1550 B10R0.82 CNC(=O)NCC(=O)N(C)C 2708a_100102657272_100015183351 [0,2,0,0,0,0|2,0,0]=4 1551 B10R0.82 CNC(=O)NCC(=O)N(C)C 273464a_100015183351_100102657272 [0,2,0,0,0,0|2,0,0]=4 1552 B10R0.82 CNC(=O)NCC(=O)N(C)C 273464a_100102657272_100015183351 [0,2,0,0,0,0|2,0,0]=4 1553 B10R0.82 CNC(=O)NCC(=O)N(C)C 512a_100015183351_100102657272 [0,2,0,0,0,0|2,0,0]=4 1554 B10R0.82 CNC(=O)NCC(=O)N(C)C 512a_106832991638_100015183351 [0,2,0,0,0,0|2,0,0]=4 1555 B10R0.82 COC(=O)CCC(=O)C(C)C 1458a_100000187943_100000210206 [0,2,0,0,0,0|1,0,1]=4 1556 B10R0.82 COC(=O)CCC(=O)N(C)C 11a_100102631434_100000187943 [0,2,0,0,0,0|2,0,0]=4 1557 B10R0.82 COC(=O)CCC(=O)N(C)C 1626a_100102631434_100000187943 [0,2,0,0,0,0|2,0,0]=4 1558 B10R0.82 COC(=O)CCC(=O)N(C)C 240690a_100102631434_100000187943 [0,2,0,0,0,0|2,0,0]=4 1559 B10R0.82 COC(=O)CCC(=O)N(C)C 527a_100102631434_100000187943 [0,2,0,0,0,0|2,0,0]=4 1560 B10R0.82 COC(=O)NCC(=O)C(C)C 1458a_100000215747_100000210206 [0,2,0,0,0,0|1,0,1]=4 1561 B10R0.82 COC(=O)NCC(=O)N(C)C 11a_100102631434_100000215747 [0,2,0,0,0,0|2,0,0]=4 1562 B10R0.82 COC(=O)NCC(=O)N(C)C 1626a_100102631434_100000215747 [0,2,0,0,0,0|2,0,0]=4 1563 B10R0.82 COC(=O)NCC(=O)N(C)C 240690a_100102631434_100000215747 [0,2,0,0,0,0|2,0,0]=4 1564 B10R0.82 COC(=O)NCC(=O)N(C)C 527a_100102631434_100000215747 [0,2,0,0,0,0|2,0,0]=4 1565 B10R0.13 C=C(C)C(=O)C(C)OC(=O)C 1458a_100000185857_100009818208 [0,2,0,0,0,0|0,1,1]=4 1566 B10R0.13 CC(=O)C(C)C(=O)C=C(C)C 1458a_100000211388_100000179758 [0,2,0,0,0,0|1,0,1]=4 1567 B10R0.13 CC(=O)N[C@@H](C)C(=O)N(C)C 11a_100000697320_100015343762 [0,2,0,0,0,0|2,0,0]=4 1568 B10R0.13 CC(=O)N[C@@H](C)C(=O)N(C)C 240690a_100000697320_100015343762 [0,2,0,0,0,0|2,0,0]=4 1569 B10R0.13 CC(=O)N[C@@H](C)C(=O)N(C)C 527a_100000697320_100103153847 [0,2,0,0,0,0|2,0,0]=4 1570 B10R0.13 CC(=O)N[C@H](C)C(=O)C(C)C 1458a_100011504603_100000210206 [0,2,0,0,0,0|1,0,1]=4 1571 B10R0.13 CC(=O)N[C@H](C)C(=O)N(C)C 11a_100102631434_100011504603 [0,2,0,0,0,0|2,0,0]=4 1572 B10R0.13 CC(=O)N[C@H](C)C(=O)N(C)C 1626a_100102631434_100011504603 [0,2,0,0,0,0|2,0,0]=4 1573 B10R0.13 CC(=O)N[C@H](C)C(=O)N(C)C 240690a_100102631434_100011504603 [0,2,0,0,0,0|2,0,0]=4 1574 B10R0.13 CC(=O)N[C@H](C)C(=O)N(C)C 527a_100102631434_100011504603 [0,2,0,0,0,0|2,0,0]=4 1575 B10R0.13 CC(=O)OC(C)C(=O)C(C)C 1458a_100000210198_100009818208 [0,2,0,0,0,0|0,1,1]=4 1576 B10R0.13 CC(=O)O[C@@H](C)C(=O)C(C)C 1458a_100009816467_100000210206 [0,2,0,0,0,0|0,1,1]=4 1577 B10R0.13 CC(=O)O[C@@H](C)C(=O)N(C)C 11a_100102631434_100009816467 [0,2,0,0,0,0|1,1,0]=4 1578 B10R0.13 CC(=O)O[C@@H](C)C(=O)N(C)C 1626a_100102631434_100009816467 [0,2,0,0,0,0|1,1,0]=4 1579 B10R0.13 CC(=O)O[C@@H](C)C(=O)N(C)C 240690a_100102631434_100009816467 [0,2,0,0,0,0|1,1,0]=4 1580 B10R0.13 CC(=O)O[C@@H](C)C(=O)N(C)C 527a_100102631434_100009816467 [0,2,0,0,0,0|1,1,0]=4 1581 B10R0.84 CC(=CCC(N[13CH3])C(=O)O)C 269956a_100102631519_200025704644 [0,2,0,0,0,0|2,0,0]=4 1582 B10R0.84 CNC(CC=C(C)C)C(=O)O 269956a_100102631519_200000210301 [0,2,0,0,0,0|2,0,0]=4 1583 B10R0.93 C=C(C)C(=O)CC(=O)C(=O)C 1458a_100000185857_100011261029 [0,2,0,0,0,0|1,0,1]=4 1584 B10R0.93 CC(=O)C(=O)CC(=O)C(C)C 1458a_100000210198_100011261029 [0,2,0,0,0,0|1,0,1]=4 1585 B10R0.93 CC(=O)N(C)CC(=O)C(C)C 1458a_100000194957_100000210206 [0,2,0,0,0,0|1,0,1]=4 1586 B10R0.93 CC(=O)N(C)CC(=O)N(C)C 11a_100000185065_100015343762 [0,2,0,0,0,0|2,0,0]=4 1587 B10R0.93 CC(=O)N(C)CC(=O)N(C)C 11a_100102631434_100000194957 [0,2,0,0,0,0|2,0,0]=4 1588 B10R0.93 CC(=O)N(C)CC(=O)N(C)C 1626a_100102631434_100000194957 [0,2,0,0,0,0|2,0,0]=4 1589 B10R0.93 CC(=O)N(C)CC(=O)N(C)C 240690a_100000185065_100015343762 [0,2,0,0,0,0|2,0,0]=4 1590 B10R0.93 CC(=O)N(C)CC(=O)N(C)C 240690a_100102631434_100000194957 [0,2,0,0,0,0|2,0,0]=4 1591 B10R0.93 CC(=O)N(C)CC(=O)N(C)C 527a_100000185065_100103153847 [0,2,0,0,0,0|2,0,0]=4 1592 B10R0.93 CC(=O)N(C)CC(=O)N(C)C 527a_100102631434_100000194957 [0,2,0,0,0,0|2,0,0]=4 1593 B8R1.4 CC1=CCCN(C1)C 2230a_100000725631_200000210301 [1,0,0,1,0,0|2,0,0]=4 1594 B8R1.4 CC1=CCCN(C1)C 269982a_100000725631_200000210301 [1,0,0,1,0,0|2,0,0]=4 1595 B8R1.4 CC1=CCCN(C1)C 34a_100000725631_200000210301 [1,0,0,1,0,0|2,0,0]=4 1596 B8R1.4 CC1=CCCN(C1)[13CH3] 2230a_100000725631_200025704644 [1,0,0,1,0,0|2,0,0]=4 1597 B8R1.4 CC1=CCCN(C1)[13CH3] 269982a_100000725631_200025704644 [1,0,0,1,0,0|2,0,0]=4 1598 B8R1.4 CC1=CCCN(C1)[13CH3] 34a_100000725631_200025704644 [1,0,0,1,0,0|2,0,0]=4 1599 B8R1.7 CC(=O)C1CC=CC1 1458a_100000759439_200000210301 [1,0,0,1,0,0|1,0,0]=3 1600 B8R1.7 CC(=O)N1CC=CC1 1626a_100015195280_100015343762 [1,0,0,1,0,0|1,0,0]=3 1601 B8R1.7 CC(=O)N1CC=CC1 240690a_100015195280_100015343762 [1,0,0,1,0,0|1,0,0]=3 1602 B8R1.7 [13CH3]C(=O)C1CC=CC1 1458a_100000759439_200025704644 [1,0,0,1,0,0|1,0,0]=3 1603 B8R1.36 C/C=C/CSC1CC1 62a_100102629194_100000211595 [1,0,0,1,0,0|1,0,1]=4 1604 B8R1.36 CC=CCSC1CC1 62a_100000070051_100000211595 [1,0,0,1,0,0|1,0,1]=4 1605 B8R1.3 CC1=CCN(CC1)C 2230a_100000693516_200000210301 [0,0,0,1,1,0|2,0,0]=4 1606 B8R1.3 CC1=CCN(CC1)C 269982a_100000693516_200000210301 [0,0,0,1,1,0|2,0,0]=4 1607 B8R1.3 CC1=CCN(CC1)C 34a_100000693516_200000210301 [0,0,0,1,1,0|2,0,0]=4 1608 B8R1.3 CC1=CCN(CC1)[13CH3] 2230a_100000693516_200025704644 [0,0,0,1,1,0|2,0,0]=4 1609 B8R1.3 CC1=CCN(CC1)[13CH3] 269982a_100000693516_200025704644 [0,0,0,1,1,0|2,0,0]=4 1610 B8R1.3 CC1=CCN(CC1)[13CH3] 34a_100000693516_200025704644 [0,0,0,1,1,0|2,0,0]=4 1611 B8R1.23 C=C1CC(C1)C(=O)C 1458a_100000065620_200000210301 [0,0,0,1,1,0|0,0,2]=4 1612 B8R1.23 C=C1CC(C1)C(=O)[13CH3] 1458a_100000065620_200025704644 [0,0,0,1,1,0|0,0,2]=4 1613 B8R1.23 CC(=O)C1CC(C1)C 1458a_100000686124_200000210301 [0,0,0,1,1,0|0,0,2]=4 1614 B8R1.23 CC(=O)C1CN(C1)C 1458a_100012002723_200000210301 [0,0,0,1,1,0|1,0,1]=4 1615 B8R1.23 CC(=O)N1CC(C1)C 11a_100000702820_100015343762 [0,0,0,1,1,0|1,0,1]=4 1616 B8R1.23 CC(=O)N1CC(C1)C 240690a_100000702820_100015343762 [0,0,0,1,1,0|1,0,1]=4 1617 B8R1.23 CC(=O)N1CC(C1)C 527a_100000702820_100103153847 [0,0,0,1,1,0|1,0,1]=4 1618 B8R1.23 CC(=O)[C@@H]1CC(=O)N1 1458a_100016090685_200000210301 [0,0,0,1,1,0|2,0,0]=4 1619 B8R1.23 CC1CC(C1)C(=O)[13CH3] 1458a_100000686124_200025704644 [0,0,0,1,1,0|0,0,2]=4 1620 B8R1.23 CN(C)C1CC(=O)C1 269982a_100102631434_100009894365 [0,0,0,1,1,0|1,0,1]=4 1621 B8R1.23 CN1CC(C1)C(=O)[13CH3] 1458a_100012002723_200025704644 [0,0,0,1,1,0|1,0,1]=4 1622 B8R1.23 [13CH3]C(=O)[C@@H]1CC(=O)N1 1458a_100016090685_200025704644 [0,0,0,1,1,0|2,0,0]=4 1623 B8R1.77 CC(=O)[C@H]1CC1(C)C 1458a_100000692687_200000210301 [0,0,0,1,1,0|0,0,2]=4 1624 B8R1.77 CC1(C[C@@H]1C(=O)[13CH3])C 1458a_100000692687_200025704644 [0,0,0,1,1,0|0,0,2]=4 1625 B10R1.54 CC(=Cc1cc(cs1)C)C 271570a_100102525489_100009876951 [0,0,0,1,0,1|1,0,1]=4 1626 B10R1.54 CC(=Cc1cc(ns1)C)C 271570a_100102525489_100009815735 [0,0,0,1,0,1|1,0,1]=4 1627 B10R1.54 CC(=Cc1csc(c1)C)C 271570a_100102525489_100000759034 [0,0,0,1,0,1|1,0,1]=4 1628 B10R1.54 CC(=Cc1csc(n1)C)C 271570a_100102525489_100011934587 [0,0,0,1,0,1|1,0,1]=4 1629 B10R1.54 CC(=Cc1nc(cs1)C)C 271570a_100102525489_100011291629 [0,0,0,1,0,1|1,0,1]=4 1630 B10R1.54 CC(=Cc1nc(ns1)C)C 271570a_100102525489_100000709739 [0,0,0,1,0,1|1,0,1]=4 1631 B10R1.113 CC(=O)N1CCC=C(C1)C 11a_100000725631_100015343762 [0,0,0,1,0,1|1,0,0]=3 1632 B10R1.113 CC(=O)N1CCC=C(C1)C 1626a_100000725631_100015343762 [0,0,0,1,0,1|1,0,0]=3 1633 B10R1.113 CC(=O)N1CCC=C(C1)C 240690a_100000725631_100015343762 [0,0,0,1,0,1|1,0,0]=3 1634 B10R1.113 CC(=O)N1CCC=C(C1)C 527a_100000725631_100103153847 [0,0,0,1,0,1|1,0,0]=3 1635 B10R1.126 CC(=CCCSC1CC1)C 62a_100011217483_100000211595 [0,0,0,1,0,1|1,0,1]=4 1636 B10R1.126 CC(=CCSCC1CC1)C 62a_100000756562_100000761012 [0,0,0,1,0,1|1,0,1]=4 1637 B10R1.126 CC(=CCSCC1CC1)C 62a_100000761012_100000742324 [0,0,0,1,0,1|1,0,1]=4 1638 B10R1.126 CC(=CCSCC1CO1)C 62a_100000761012_102125554688 [0,0,0,1,0,1|0,0,2]=4 1639 B10R1.126 CC(=CCSCC1CO1)C 62a_102125554688_100000761012 [0,0,0,1,0,1|0,0,2]=4 1640 B10R1.126 CC(=CCSCC1CS1)C 62a_100000031435_100000761012 [0,0,0,1,0,1|0,1,1]=4 1641 B10R1.126 CC(=CCSCC1CS1)C 62a_100000761012_100000031435 [0,0,0,1,0,1|0,1,1]=4 1642 B10R1.126 CC(=CCSC[C@@H]1CO1)C 62a_100000745022_100000761012 [0,0,0,1,0,1|0,0,2]=4 1643 B10R1.126 CC(=CCSC[C@@H]1CO1)C 62a_100000761012_100000745022 [0,0,0,1,0,1|0,0,2]=4 1644 B10R1.13 CC(=O)C1CC=C(CC1)C 1458a_100000137427_200000210301 [0,1,0,1,0,0|1,0,0]=3 1645 B10R1.13 CC(=O)N1CC=C(CC1)C 11a_100000693516_100015343762 [0,1,0,1,0,0|1,0,0]=3 1646 B10R1.13 CC(=O)N1CC=C(CC1)C 1626a_100000693516_100015343762 [0,1,0,1,0,0|1,0,0]=3 1647 B10R1.13 CC(=O)N1CC=C(CC1)C 240690a_100000693516_100015343762 [0,1,0,1,0,0|1,0,0]=3 1648 B10R1.13 CC(=O)N1CC=C(CC1)C 527a_100000693516_100103153847 [0,1,0,1,0,0|1,0,0]=3 1649 B10R1.13 CC1=CCC(CC1)C(=O)[13CH3] 1458a_100000137427_200025704644 [0,1,0,1,0,0|1,0,0]=3 1650 B10R1.127 CC(=CCSC1CCC1)C 62a_100000761012_100000749161 [0,1,0,1,0,0|1,0,1]=4 1651 B10R1.127 CC(=CCSC1COC1)C 62a_100000761012_100009818527 [0,1,0,1,0,0|0,0,2]=4 1652 B10R1.58 CC(=O)C1CC(=O)N(C1)C 1458a_100000187535_200000210301 [0,1,0,1,0,0|2,0,0]=4 1653 B10R1.58 CN1CC(CC1=O)C(=O)[13CH3] 1458a_100000187535_200025704644 [0,1,0,1,0,0|2,0,0]=4 1654 B10R1.81 CC(C)C(=O)[C@@H]1CC(=O)N1 1458a_100016090685_100000210206 [0,1,0,1,0,0|1,0,1]=4 1655 B10R1.81 CN(C)C(=O)[C@@H]1CC(=O)N1 527a_100102631434_100016090685 [0,1,0,1,0,0|2,0,0]=4 1656 B6R0.2 C=C(C)CC(=O)C 1458a_100000070787_100000748629 [0,0,0,0,2,0|0,0,1]=3 1657 B6R0.2 C=C(C)CN(C)C 2230a_100000225649_200000210301 [0,0,0,0,2,0|2,0,0]=4 1658 B6R0.2 C=C(C)CN(C)C 2230a_100102631434_100000748629 [0,0,0,0,2,0|2,0,0]=4 1659 B6R0.2 C=C(C)CN(C)C 269982a_100000225649_200000210301 [0,0,0,0,2,0|2,0,0]=4 1660 B6R0.2 C=C(C)CN(C)C 269982a_100102631434_100000748629 [0,0,0,0,2,0|2,0,0]=4 1661 B6R0.2 C=C(C)CN(C)[13CH3] 2230a_100000225649_200025704644 [0,0,0,0,2,0|2,0,0]=4 1662 B6R0.2 C=C(C)CN(C)[13CH3] 269982a_100000225649_200025704644 [0,0,0,0,2,0|2,0,0]=4 1663 B6R0.2 C=C(F)CC(=O)C 1458a_100000070787_100009893438 [0,0,0,0,2,0|1,0,1]=4 1664 B6R0.2 CC(=CC(=O)[13CH3])C 1458a_100000211388_200025704644 [0,0,0,0,2,0|0,0,0]=2 1665 B6R0.2 CC(=CC(=O)[13CH3])Cl 1458a_200042562850_200025704644 [0,0,0,0,2,0|1,0,0]=3 1666 B6R0.2 CC(=CC(=O)[13CH3])I 1458a_100025716642_200025704644 [0,0,0,0,2,0|1,0,0]=3 1667 B6R0.2 CC(=O)C=C(C)C 1458a_100000211388_200000210301 [0,0,0,0,2,0|0,0,0]=2 1668 B6R0.2 CC(=O)C=C(C)Cl 1458a_200042562850_200000210301 [0,0,0,0,2,0|1,0,0]=3 1669 B6R0.2 CC(=O)C=C(C)I 1458a_100025716642_200000210301 [0,0,0,0,2,0|1,0,0]=3 1670 B6R0.2 CC(=O)C=C(Cl)Cl 1458a_100000137448_200000210301 [0,0,0,0,2,0|2,0,0]=4 1671 B6R0.2 CC(=O)CC(=O)N 1458a_100000070787_100000187820 [0,0,0,0,2,0|2,0,0]=4 1672 B6R0.2 CC(=O)CC(=O)N 1458a_100134613110_200000210301 [0,0,0,0,2,0|2,0,0]=4 1673 B6R0.2 CC(=O)CC(=O)[O-] 1458a_100000070787_100020667443 [0,0,0,0,2,0|2,0,0]=4 1674 B6R0.2 CC(=O)CC(C)C 1458a_100000070787_100000210624 [0,0,0,0,2,0|0,0,1]=3 1675 B6R0.2 CC(=O)CC(C)C 1458a_100000210554_200000210301 [0,0,0,0,2,0|0,0,1]=3 1676 B6R0.2 CC(=O)CC(C)O 1458a_100000070787_100011218427 [0,0,0,0,2,0|1,0,1]=4 1677 B6R0.2 CC(=O)CN(C)C 1458a_100000750896_200000210301 [0,0,0,0,2,0|1,0,0]=3 1678 B6R0.2 CC(=O)C[C@@H](C)O 1458a_100011933948_200000210301 [0,0,0,0,2,0|1,0,1]=4 1679 B6R0.2 CC(=O)C[S+](C)C 1458a_200159257847_200000210301 [0,0,0,0,2,0|1,0,0]=3 1680 B6R0.2 CC(=O)NC(C)C 11a_100138425928_100015343762 [0,0,0,0,2,0|1,0,1]=4 1681 B6R0.2 CC(=O)NC(C)C 1626a_100138425928_100015343762 [0,0,0,0,2,0|1,0,1]=4 1682 B6R0.2 CC(=O)NC(C)C 240690a_100138425928_100015343762 [0,0,0,0,2,0|1,0,1]=4 1683 B6R0.2 CC(=O)NC(C)C 527a_100138425928_100103153847 [0,0,0,0,2,0|1,0,1]=4 1684 B6R0.2 CC(C)CC(=O)[13CH3] 1458a_100000210554_200025704644 [0,0,0,0,2,0|0,0,1]=3 1685 B6R0.2 CN(C)CC(=O)N 2230a_100000739694_200000210301 [0,0,0,0,2,0|2,0,0]=4 1686 B6R0.2 CN(C)CC(=O)N 2230a_100102631434_100000747473 [0,0,0,0,2,0|2,0,0]=4 1687 B6R0.2 CN(C)CC(=O)N 269982a_100102631434_100000187820 [0,0,0,0,2,0|2,0,0]=4 1688 B6R0.2 CN(C)CC(=O)O 269956a_100000746989_200000210301 [0,0,0,0,2,0|2,0,0]=4 1689 B6R0.2 CN(C)CC(=O)[13CH3] 1458a_100000750896_200025704644 [0,0,0,0,2,0|1,0,0]=3 1690 B6R0.2 CN(C)CC(=O)[O-] 269982a_100102631434_100020667443 [0,0,0,0,2,0|2,0,0]=4 1691 B6R0.2 CN([13CH3])CC(=O)N 2230a_100000739694_200025704644 [0,0,0,0,2,0|2,0,0]=4 1692 B6R0.2 CN([13CH3])CC(=O)O 269956a_100000746989_200025704644 [0,0,0,0,2,0|2,0,0]=4 1693 B6R0.2 C[C@@H](O)CC(=O)[13CH3] 1458a_100011933948_200025704644 [0,0,0,0,2,0|1,0,1]=4 1694 B6R0.2 C[S+](C)CC(=O)[13CH3] 1458a_200159257847_200025704644 [0,0,0,0,2,0|1,0,0]=3 1695 B6R0.2 [13CH3]C(=O)C=C(Cl)Cl 1458a_100000137448_200025704644 [0,0,0,0,2,0|2,0,0]=4 1696 B6R0.2 [13CH3]C(=O)CC(=O)N 1458a_100134613110_200025704644 [0,0,0,0,2,0|2,0,0]=4 1697 B10R0.97 C=C(C)CCNCC=C(C)C 34a_100000718196_100000730704 [0,0,0,0,0,2|2,0,0]=4 1698 B10R0.97 C=C(C)CCOCC=C(C)C 34a_100000753907_100000730704 [0,0,0,0,0,2|1,1,0]=4 1699 B10R0.97 C=C(C)CCOCC=C(C)C 34a_100000764851_100000761012 [0,0,0,0,0,2|1,1,0]=4 1700 B10R0.97 C=C(C)CCSCC=C(C)C 62a_100000730704_100000761012 [0,0,0,0,0,2|1,0,0]=3 1701 B10R0.97 C=C(C)CCSCC=C(C)C 62a_100000761012_100000730704 [0,0,0,0,0,2|1,0,0]=3 1702 B10R0.97 C=C(C)CCSCCC(=O)C 62a_100000053229_100000730704 [0,0,0,0,0,2|0,0,2]=4 1703 B10R0.97 C=C(C)CCSCCC(=O)C 62a_100000730704_100000053229 [0,0,0,0,0,2|0,0,2]=4 1704 B10R0.97 C=C(C)CCSCOC(=O)C 62a_100000076356_100000730704 [0,0,0,0,0,2|0,0,2]=4 1705 B10R0.97 C=C(C)CCSCOC(=O)C 62a_100000730704_100000076356 [0,0,0,0,0,2|0,0,2]=4 1706 B10R0.97 C=C(C)COCCC=C(C)C 34a_100000210245_100011217483 [0,0,0,0,0,2|1,1,0]=4 1707 B10R0.97 C=C(C)CSCCC=C(C)C 62a_100000748629_100011217483 [0,0,0,0,0,2|1,0,0]=3 1708 B10R0.97 C=C(C)CSCCC=C(C)C 62a_100011217483_100000211660 [0,0,0,0,0,2|1,0,0]=3 1709 B10R0.97 C=C(F)CSCCC=C(C)C 62a_100000042424_100011217483 [0,0,0,0,0,2|1,0,1]=4 1710 B10R0.97 C=C(F)CSCCC=C(C)C 62a_100011217483_100000042424 [0,0,0,0,0,2|1,0,1]=4 1711 B10R0.97 CC(=CCCNCC(=O)N)C 2230a_100000711301_100011217483 [0,0,0,0,0,2|2,0,0]=4 1712 B10R0.97 CC(=CCCNCC(=O)O)C 269956a_100016091260_100011217483 [0,0,0,0,0,2|2,0,0]=4 1713 B10R0.97 CC(=CCCSCC(=O)N)C 62a_100000747473_100011217483 [0,0,0,0,0,2|1,0,0]=3 1714 B10R0.97 CC(=CCCSCC(=O)N)C 62a_100011217483_100000747473 [0,0,0,0,0,2|1,0,0]=3 1715 B10R0.97 CC(=CCCSCC(=O)[O-])C 62a_100011217483_100020667443 [0,0,0,0,0,2|1,0,0]=3 1716 B10R0.97 CC(=CCCSCC(=O)[O-])C 62a_100020667443_100011217483 [0,0,0,0,0,2|1,0,0]=3 1717 B10R0.97 CC(=CCCSCC(C)C)C 62a_100000210624_100011217483 [0,0,0,0,0,2|1,0,1]=4 1718 B10R0.97 CC(=CCCSCC(C)C)C 62a_100011217483_100000210760 [0,0,0,0,0,2|1,0,1]=4 1719 B10R0.97 CC(=CCCSCC(C)O)C 62a_100011217483_100011218427 [0,0,0,0,0,2|0,0,2]=4 1720 B10R0.97 CC(=CCCSCC(C)O)C 62a_100011218427_100011217483 [0,0,0,0,0,2|0,0,2]=4 1721 B10R0.97 CC(=CCCSC[C@@H](C)O)C 62a_100009817552_100011217483 [0,0,0,0,0,2|0,0,2]=4 1722 B10R0.97 CC(=CCCSC[C@@H](C)O)C 62a_100011217483_100009817552 [0,0,0,0,0,2|0,0,2]=4 1723 B10R0.97 CC(=CCCSC[N+](=O)[O-])C 62a_100011217483_100000761209 [0,0,0,0,0,2|2,0,0]=4 1724 B10R0.97 CC(=CCNCC=C(C)C)C 34a_100000718196_100000761012 [0,0,0,0,0,2|2,0,0]=4 1725 B10R0.97 CC(=CCNCCC(=O)N)C 34a_100000718196_100000731001 [0,0,0,0,0,2|2,0,0]=4 1726 B10R0.97 CC(=CCNOCC(=O)O)C 269956a_100000106656_100000761012 [0,0,0,0,0,2|1,1,0]=4 1727 B10R0.97 CC(=CCOCC=C(C)C)C 34a_100000753907_100000761012 [0,0,0,0,0,2|1,1,0]=4 1728 B10R0.97 CC(=CCOCCC(=O)N)C 34a_100000753907_100000731001 [0,0,0,0,0,2|1,1,0]=4 1729 B10R0.97 CC(=CCOCCC(=O)N)C 34a_100000757172_100000761012 [0,0,0,0,0,2|1,1,0]=4 1730 B10R0.97 CC(=CCOCCC(=O)N)C 7a_100000757172_100000761012 [0,0,0,0,0,2|1,1,0]=4 1731 B10R0.97 CC(=CCSCC=C(C)C)C 62a_100000761012_100000761012 [0,0,0,0,0,2|1,0,0]=3 1732 B10R0.97 CC(=CCSCCC(=O)N)C 62a_100000744528_100000761012 [0,0,0,0,0,2|1,0,0]=3 1733 B10R0.97 CC(=CCSCCC(=O)N)C 62a_100000761012_100000744528 [0,0,0,0,0,2|1,0,0]=3 1734 B10R0.97 CC(=CCSCCC(C)C)C 62a_100000210312_100000761012 [0,0,0,0,0,2|1,0,1]=4 1735 B10R0.97 CC(=CCSCCC(C)C)C 62a_100000761012_100000210312 [0,0,0,0,0,2|1,0,1]=4 1736 B10R0.97 CC(=CCSCCC(C)O)C 62a_100000761012_100012276601 [0,0,0,0,0,2|0,0,2]=4 1737 B10R0.97 CC(=CCSCCC(C)O)C 62a_100012276601_100000761012 [0,0,0,0,0,2|0,0,2]=4 1738 B10R0.97 CC(=CCSCCN(C)C)C 62a_100000761012_100000755713 [0,0,0,0,0,2|2,0,0]=4 1739 B10R0.97 CC(=CCSCOC(C)C)C 62a_100000709892_100000761012 [0,0,0,0,0,2|1,0,1]=4 1740 B10R0.97 CC(=CCSCOC(C)C)C 62a_100000761012_100000709892 [0,0,0,0,0,2|1,0,1]=4 1741 B10R0.97 CC(=O)CCCCSC(=O)C 1458a_100000070787_200010402107 [0,0,0,0,0,2|1,0,1]=4 1742 B10R0.97 CC(=O)CCOCC=C(C)C 34a_100000759926_100000761012 [0,0,0,0,0,2|0,1,0]=3 1743 B10R0.97 CC(=O)CCOCC=C(C)C 7a_100000759926_100000761012 [0,0,0,0,0,2|0,1,0]=3 1744 B10R0.97 CC(=O)CCSCC=C(C)C 62a_100000053229_100000761012 [0,0,0,0,0,2|0,0,0]=2 1745 B10R0.97 CC(=O)CCSCC=C(C)C 62a_100000761012_100000053229 [0,0,0,0,0,2|0,0,0]=2 1746 B10R0.97 CC(=O)CCSCCC(=O)C 62a_100000053229_100000053229 [0,0,0,0,0,2|1,0,1]=4 1747 B10R0.97 CC(=O)CCSCCC(C)C 62a_100000053229_100000210312 [0,0,0,0,0,2|0,0,2]=4 1748 B10R0.97 CC(=O)CCSCCC(C)C 62a_100000210312_100000053229 [0,0,0,0,0,2|0,0,2]=4 1749 B10R0.97 CC(=O)CCSCCN(C)C 62a_100000053229_100000755713 [0,0,0,0,0,2|1,0,1]=4 1750 B10R0.97 CC(=O)CCSCOC(=O)C 62a_100000053229_100000076356 [0,0,0,0,0,2|1,0,1]=4 1751 B10R0.97 CC(=O)CCSCOC(=O)C 62a_100000076356_100000053229 [0,0,0,0,0,2|1,0,1]=4 1752 B10R0.97 CC(=O)CCSCOC(C)C 62a_100000053229_100000709892 [0,0,0,0,0,2|1,0,1]=4 1753 B10R0.97 CC(=O)CCSCOC(C)C 62a_100000709892_100000053229 [0,0,0,0,0,2|1,0,1]=4 1754 B10R0.97 CC(=O)COCCC=C(C)C 34a_100000211253_100011217483 [0,0,0,0,0,2|0,1,0]=3 1755 B10R0.97 CC(=O)OCNCC=C(C)C 34a_100000718196_100009813279 [0,0,0,0,0,2|0,1,0]=3 1756 B10R0.97 CC(=O)OCOCC=C(C)C 34a_100000753907_100009813279 [0,0,0,0,0,2|0,1,0]=3 1757 B10R0.97 CC(=O)OCSCC=C(C)C 62a_100000076356_100000761012 [0,0,0,0,0,2|0,0,0]=2 1758 B10R0.97 CC(=O)OCSCC=C(C)C 62a_100000761012_100000076356 [0,0,0,0,0,2|0,0,0]=2 1759 B10R0.97 CC(=O)OCSCCC(C)C 62a_100000076356_100000210312 [0,0,0,0,0,2|0,0,2]=4 1760 B10R0.97 CC(=O)OCSCCC(C)C 62a_100000210312_100000076356 [0,0,0,0,0,2|0,0,2]=4 1761 B10R0.97 CC(=O)OCSCCN(C)C 62a_100000076356_100000755713 [0,0,0,0,0,2|1,0,1]=4 1762 B10R0.97 CC(=O)OCSCOC(=O)C 62a_100000076356_100000076356 [0,0,0,0,0,2|2,0,0]=4 1763 B10R0.97 CC(=O)OCSCOC(C)C 62a_100000076356_100000709892 [0,0,0,0,0,2|1,0,1]=4 1764 B10R0.97 CC(=O)OCSCOC(C)C 62a_100000709892_100000076356 [0,0,0,0,0,2|1,0,1]=4 1765 B10R0.97 CC(=O)SCCCCN(C)C 2230a_100102631434_200010402107 [0,0,0,0,0,2|1,0,1]=4 1766 B10R0.97 CC(=O)SCCCCN(C)C 269982a_100102631434_200010402107 [0,0,0,0,0,2|1,0,1]=4 1767 B10R0.97 CC(=O)SCCCNC(C)C 2230a_100138425928_100000038929 [0,0,0,0,0,2|0,0,2]=4 1768 B10R0.97 CC(=O)SCCCNC(C)C 34a_100138425928_100000038929 [0,0,0,0,0,2|0,0,2]=4 1769 B10R0.97 CC(=O)SCCCOC(C)C 34a_100000212225_100000038929 [0,0,0,0,0,2|0,0,2]=4 1770 B10R0.97 CC(=O)SCCCSC(C)C 62a_100000038929_100000210206 [0,0,0,0,0,2|0,0,2]=4 1771 B10R0.97 CC(=O)SCCCSC(C)C 62a_100000210206_100000038929 [0,0,0,0,0,2|0,0,2]=4