0 B8R1.7 CC(=O)C1=CCCC1 1458a_100000038896_200000210301 [0,0,0,0,0,0|3,0,1]=4 1 B8R1.7 CC(=O)C1=CCOC1 1458a_100000139269_200000210301 [0,0,0,0,0,0|2,1,1]=4 2 B8R1.7 CC(=O)C1CC=CC1 1458a_100000759439_200000210301 [0,0,0,0,0,0|3,0,1]=4 3 B8R1.7 CC(=O)C1CCCC1 1458a_100000070787_100000179811 [0,0,0,0,0,0|3,0,0]=3 4 B8R1.7 CC(=O)C1CCCC1 1458a_100000210718_200000210301 [0,0,0,0,0,0|3,0,0]=3 5 B8R1.7 CC(=O)C1CCCS1 1458a_100012002731_200000210301 [0,0,0,0,0,0|3,0,0]=3 6 B8R1.7 CC(=O)C1CCOC1 1458a_100000070787_100000690089 [0,0,0,0,0,0|2,1,0]=3 7 B8R1.7 CC(=O)C1CCOC1 1458a_100011219752_200000210301 [0,0,0,0,0,0|2,1,0]=3 8 B8R1.7 CC(=O)N1CCCC1 240690a_100000188435_100015343762 [0,0,0,0,0,0|4,0,0]=4 9 B8R1.7 CC(=O)N1CCCC1 527a_100000188435_100103153847 [0,0,0,0,0,0|4,0,0]=4 10 B8R1.7 CC(=O)N1CCSC1 11a_100011215254_100015343762 [0,0,0,0,0,0|3,0,0]=3 11 B8R1.7 CC(=O)N1CCSC1 240690a_100011215254_100015343762 [0,0,0,0,0,0|3,0,0]=3 12 B8R1.7 CC(=O)N1CCSC1 527a_100011215254_100103153847 [0,0,0,0,0,0|3,0,0]=3 13 B8R1.7 CC(=O)[C@@H]1CCCO1 1458a_100000686382_200000210301 [0,0,0,0,0,0|3,0,0]=3 14 B8R1.7 CN(C)C1CCSC1 270004a_100102631434_100000212027 [0,0,0,0,0,0|4,0,0]=4 15 B8R1.7 [13CH3]C(=O)C1=CCCC1 1458a_100000038896_200025704644 [0,0,0,0,0,0|3,0,1]=4 16 B8R1.7 [13CH3]C(=O)C1=CCOC1 1458a_100000139269_200025704644 [0,0,0,0,0,0|2,1,1]=4 17 B8R1.7 [13CH3]C(=O)C1CC=CC1 1458a_100000759439_200025704644 [0,0,0,0,0,0|3,0,1]=4 18 B8R1.7 [13CH3]C(=O)C1CCCC1 1458a_100000210718_200025704644 [0,0,0,0,0,0|3,0,0]=3 19 B8R1.7 [13CH3]C(=O)C1CCCS1 1458a_100012002731_200025704644 [0,0,0,0,0,0|3,0,0]=3 20 B8R1.7 [13CH3]C(=O)C1CCOC1 1458a_100011219752_200025704644 [0,0,0,0,0,0|2,1,0]=3 21 B8R1.7 [13CH3]C(=O)[C@@H]1CCCO1 1458a_100000686382_200025704644 [0,0,0,0,0,0|3,0,0]=3 22 B7R1.1 CNC1CCSC1 270004a_106832991635_100000212027 [1,0,0,0,0,0|3,0,0]=4 23 B7R1.1 COC1CCSC1 7a_100011232664_200000210301 [1,0,0,0,0,0|3,0,0]=4 24 B7R1.1 [13CH3]OC1CCSC1 7a_100011232664_200025704644 [1,0,0,0,0,0|3,0,0]=4 25 B9R1.11 C#CC(=O)C1CCCC1 1458a_100000211873_100000179811 [0,1,0,0,0,0|3,0,0]=4 26 B9R1.11 C#CC(=O)C1CCOC1 1458a_100000211873_100000690089 [0,1,0,0,0,0|2,1,0]=4 27 B9R1.11 C=CC(=O)C1CCCC1 1458a_100000185746_100000179811 [0,1,0,0,0,0|3,0,0]=4 28 B9R1.11 C=CC(=O)C1CCOC1 1458a_100000185746_100000690089 [0,1,0,0,0,0|2,1,0]=4 29 B9R1.11 C=CC(=O)N1CCSC1 240690a_100011215254_200121576911 [0,1,0,0,0,0|3,0,0]=4 30 B9R1.11 CCC(=O)C1CCCC1 1458a_100000210414_100000179811 [0,1,0,0,0,0|3,0,0]=4 31 B9R1.11 CCC(=O)C1CCCC1 1458a_100000210718_100000210202 [0,1,0,0,0,0|3,0,0]=4 32 B9R1.11 CCC(=O)C1CCCS1 1458a_100012002731_100000210202 [0,1,0,0,0,0|3,0,0]=4 33 B9R1.11 CCC(=O)C1CCOC1 1458a_100000210414_100000690089 [0,1,0,0,0,0|2,1,0]=4 34 B9R1.11 CCC(=O)C1CCOC1 1458a_100011219752_100000210202 [0,1,0,0,0,0|2,1,0]=4 35 B9R1.11 CCC(=O)N1CCSC1 11a_100011215254_100000210414 [0,1,0,0,0,0|3,0,0]=4 36 B9R1.11 CCC(=O)N1CCSC1 240690a_100011215254_100000210414 [0,1,0,0,0,0|3,0,0]=4 37 B9R1.11 CCC(=O)N1CCSC1 527a_100011215254_100000210414 [0,1,0,0,0,0|3,0,0]=4 38 B9R1.11 CCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000210202 [0,1,0,0,0,0|3,0,0]=4 39 B9R1.11 CNC(=O)C1CCCC1 11a_106832991635_100000210718 [0,1,0,0,0,0|3,0,0]=4 40 B9R1.11 CNC(=O)C1CCCC1 1626a_100102657272_100000210718 [0,1,0,0,0,0|3,0,0]=4 41 B9R1.11 CNC(=O)C1CCCC1 240690a_100102657272_100000210718 [0,1,0,0,0,0|3,0,0]=4 42 B9R1.11 CNC(=O)C1CCCC1 527a_100102657272_100000210718 [0,1,0,0,0,0|3,0,0]=4 43 B9R1.11 CNC(=O)C1CCCS1 11a_106832991635_100012002731 [0,1,0,0,0,0|3,0,0]=4 44 B9R1.11 CNC(=O)C1CCCS1 1626a_100102657272_100012002731 [0,1,0,0,0,0|3,0,0]=4 45 B9R1.11 CNC(=O)C1CCCS1 240690a_100102657272_100012002731 [0,1,0,0,0,0|3,0,0]=4 46 B9R1.11 CNC(=O)C1CCCS1 527a_100102657272_100012002731 [0,1,0,0,0,0|3,0,0]=4 47 B9R1.11 CNC(=O)C1CCOC1 11a_106832991635_100011219752 [0,1,0,0,0,0|2,1,0]=4 48 B9R1.11 CNC(=O)C1CCOC1 1626a_100102657272_100011219752 [0,1,0,0,0,0|2,1,0]=4 49 B9R1.11 CNC(=O)C1CCOC1 240690a_100102657272_100011219752 [0,1,0,0,0,0|2,1,0]=4 50 B9R1.11 CNC(=O)C1CCOC1 527a_100102657272_100011219752 [0,1,0,0,0,0|2,1,0]=4 51 B9R1.11 CNC(=O)N1CCSC1 2708a_100102657272_100011215254 [0,1,0,0,0,0|3,0,0]=4 52 B9R1.11 CNC(=O)N1CCSC1 273464a_100102657272_100011215254 [0,1,0,0,0,0|3,0,0]=4 53 B9R1.11 CNC(=O)[C@@H]1CCCO1 11a_106832991635_100000686382 [0,1,0,0,0,0|3,0,0]=4 54 B9R1.11 CNC(=O)[C@@H]1CCCO1 1626a_100102657272_100000686382 [0,1,0,0,0,0|3,0,0]=4 55 B9R1.11 CNC(=O)[C@@H]1CCCO1 240690a_100102657272_100000686382 [0,1,0,0,0,0|3,0,0]=4 56 B9R1.11 CNC(=O)[C@@H]1CCCO1 527a_100102657272_100000686382 [0,1,0,0,0,0|3,0,0]=4 57 B9R1.11 O=C(CF)C1CCCC1 1458a_100000210718_100015361967 [0,1,0,0,0,0|3,0,0]=4 58 B9R1.11 O=C(CF)C1CCCS1 1458a_100012002731_100015361967 [0,1,0,0,0,0|3,0,0]=4 59 B9R1.11 O=C(CF)C1CCOC1 1458a_100011219752_100015361967 [0,1,0,0,0,0|2,1,0]=4 60 B9R1.11 O=C(CF)[C@@H]1CCCO1 1458a_100000686382_100015361967 [0,1,0,0,0,0|3,0,0]=4 61 B9R1.11 O=C(CO)C1CCCC1 1458a_100000210174_100000179811 [0,1,0,0,0,0|2,0,0]=3 62 B9R1.11 O=C(CO)C1CCOC1 1458a_100000210174_100000690089 [0,1,0,0,0,0|1,1,0]=3 63 B9R1.11 O=C(CO)N1CCCC1 240690a_100000188435_100000210174 [0,1,0,0,0,0|3,0,0]=4 64 B9R1.11 O=C(CO)N1CCCC1 527a_100000188435_100000210174 [0,1,0,0,0,0|3,0,0]=4 65 B9R1.11 O=C(CO)N1CCSC1 240690a_100011215254_100000210174 [0,1,0,0,0,0|2,0,0]=3 66 B9R1.11 O=C(CO)N1CCSC1 527a_100011215254_100000210174 [0,1,0,0,0,0|2,0,0]=3 67 B9R1.35 CC(=O)C1CCC(=O)N1 1458a_100000210400_200000210301 [0,1,0,0,0,0|2,0,1]=4 68 B9R1.35 CC(=O)C1CCC(C1)O 1458a_100000688591_200000210301 [0,1,0,0,0,0|3,0,0]=4 69 B9R1.35 CC(=O)C1CCN(C1)C 1458a_100000739633_200000210301 [0,1,0,0,0,0|3,0,0]=4 70 B9R1.35 CC(=O)C1CNC(=O)N1 1458a_100000033324_200000210301 [0,1,0,0,0,0|2,0,1]=4 71 B9R1.35 CC(=O)C1CSC(=N1)N 1458a_100000002200_200000210301 [0,1,0,0,0,0|1,0,2]=4 72 B9R1.35 CC(=O)[C@@H]1CSC(=O)N1 1458a_100000735014_200000210301 [0,1,0,0,0,0|1,0,1]=3 73 B9R1.35 CN1CCC(C1)C(=O)N 2230a_100000752358_200000210301 [0,1,0,0,0,0|3,0,0]=4 74 B9R1.35 CN1CCC(C1)C(=O)N 269982a_100000752358_200000210301 [0,1,0,0,0,0|3,0,0]=4 75 B9R1.35 CN1CCC(C1)C(=O)N 34a_100000752358_200000210301 [0,1,0,0,0,0|3,0,0]=4 76 B9R1.35 CN1CCC(C1)C(=O)[13CH3] 1458a_100000739633_200025704644 [0,1,0,0,0,0|3,0,0]=4 77 B9R1.35 [13CH3]C(=O)C1CCC(=O)N1 1458a_100000210400_200025704644 [0,1,0,0,0,0|2,0,1]=4 78 B9R1.35 [13CH3]C(=O)C1CCC(C1)O 1458a_100000688591_200025704644 [0,1,0,0,0,0|3,0,0]=4 79 B9R1.35 [13CH3]C(=O)C1CNC(=O)N1 1458a_100000033324_200025704644 [0,1,0,0,0,0|2,0,1]=4 80 B9R1.35 [13CH3]C(=O)C1CSC(=N1)N 1458a_100000002200_200025704644 [0,1,0,0,0,0|1,0,2]=4 81 B9R1.35 [13CH3]C(=O)[C@@H]1CSC(=O)N1 1458a_100000735014_200025704644 [0,1,0,0,0,0|1,0,1]=3 82 B9R1.35 [13CH3]N1CCC(C1)C(=O)N 2230a_100000752358_200025704644 [0,1,0,0,0,0|3,0,0]=4 83 B9R1.35 [13CH3]N1CCC(C1)C(=O)N 269982a_100000752358_200025704644 [0,1,0,0,0,0|3,0,0]=4 84 B9R1.35 [13CH3]N1CCC(C1)C(=O)N 34a_100000752358_200025704644 [0,1,0,0,0,0|3,0,0]=4 85 B9R1.41 CC(=O)C1CCCC1=O 1458a_100000070787_100000211823 [0,1,0,0,0,0|3,0,0]=4 86 B9R1.41 CC(=O)C1CCCC1C 1458a_100000690547_200000210301 [0,1,0,0,0,0|3,0,0]=4 87 B9R1.41 CC(=O)N1CCSC1C 11a_200011216479_100015343762 [0,1,0,0,0,0|3,0,0]=4 88 B9R1.41 CC(=O)N1CCSC1C 1626a_200011216479_100015343762 [0,1,0,0,0,0|3,0,0]=4 89 B9R1.41 CC(=O)N1CCSC1C 240690a_200011216479_100015343762 [0,1,0,0,0,0|3,0,0]=4 90 B9R1.41 CC(=O)N1CCSC1C 527a_200011216479_100103153847 [0,1,0,0,0,0|3,0,0]=4 91 B9R1.41 CC(=O)[C@@H]1CCCN1C 1458a_100009816429_200000210301 [0,1,0,0,0,0|2,0,0]=3 92 B9R1.41 CC1CCCC1C(=O)[13CH3] 1458a_100000690547_200025704644 [0,1,0,0,0,0|3,0,0]=4 93 B9R1.41 CN1CC=C[C@H]1C(=O)O 269956a_100000057196_200000210301 [0,1,0,0,0,0|1,0,1]=3 94 B9R1.41 CN1CCC[C@H]1C(=O)N 2230a_100000003125_200000210301 [0,1,0,0,0,0|2,0,0]=3 95 B9R1.41 CN1CCC[C@H]1C(=O)O 269956a_100000743916_200000210301 [0,1,0,0,0,0|1,0,0]=2 96 B9R1.41 CN1CCC[C@H]1C(=O)[13CH3] 1458a_100009816429_200025704644 [0,1,0,0,0,0|2,0,0]=3 97 B9R1.41 CN1CCSC1C(=O)O 269956a_100000035718_200000210301 [0,1,0,0,0,0|2,0,0]=3 98 B9R1.41 CN1CSC[C@H]1C(=O)O 269956a_100000743924_200000210301 [0,1,0,0,0,0|0,0,0]=1 99 B9R1.41 [13CH3]N1CC=C[C@H]1C(=O)O 269956a_100000057196_200025704644 [0,1,0,0,0,0|1,0,1]=3 100 B9R1.41 [13CH3]N1CCC[C@H]1C(=O)N 2230a_100000003125_200025704644 [0,1,0,0,0,0|2,0,0]=3 101 B9R1.41 [13CH3]N1CCC[C@H]1C(=O)O 269956a_100000743916_200025704644 [0,1,0,0,0,0|1,0,0]=2 102 B9R1.41 [13CH3]N1CCSC1C(=O)O 269956a_100000035718_200025704644 [0,1,0,0,0,0|2,0,0]=3 103 B9R1.41 [13CH3]N1CSC[C@H]1C(=O)O 269956a_100000743924_200025704644 [0,1,0,0,0,0|0,0,0]=1 104 B9R1.163 CC(=O)C1(CCCC1)C 1458a_100000239728_200000210301 [0,1,0,0,0,0|3,0,0]=4 105 B9R1.163 CC(=O)C1(CCCC1)O 1458a_100000242637_200000210301 [0,1,0,0,0,0|3,0,0]=4 106 B9R1.163 CC(=O)C1(CCCO1)C 1458a_100000684770_200000210301 [0,1,0,0,0,0|3,0,0]=4 107 B9R1.163 CC1(CCCC1)C(=O)[13CH3] 1458a_100000239728_200025704644 [0,1,0,0,0,0|3,0,0]=4 108 B9R1.163 CC1(CCCO1)C(=O)[13CH3] 1458a_100000684770_200025704644 [0,1,0,0,0,0|3,0,0]=4 109 B9R1.163 [13CH3]C(=O)C1(CCCC1)O 1458a_100000242637_200025704644 [0,1,0,0,0,0|3,0,0]=4 110 B7R0.4 C#CCNCC(=O)N 2230a_100000711301_100000038162 [0,0,1,0,0,0|2,0,1]=4 111 B7R0.4 C#CCNCC(=O)N 34a_100000212058_100000187820 [0,0,1,0,0,0|2,0,1]=4 112 B7R0.4 C#CCNCC(=O)O 269956a_100016091260_100000184674 [0,0,1,0,0,0|1,0,1]=3 113 B7R0.4 C#CCNCC(=O)[O-] 34a_100000212058_100020667443 [0,0,1,0,0,0|1,0,2]=4 114 B7R0.4 C=C(C)CCSCC 62a_100000210202_100000730704 [0,0,1,0,0,0|3,0,0]=4 115 B7R0.4 C=C(C)CCSCC 62a_100000730704_100000210202 [0,0,1,0,0,0|3,0,0]=4 116 B7R0.4 C=C(C)CCSCF 62a_100000730704_100015361967 [0,0,1,0,0,0|3,0,0]=4 117 B7R0.4 C=C(C)CCSCF 62a_100015361967_100000730704 [0,0,1,0,0,0|3,0,0]=4 118 B7R0.4 C=C(C)COCSC 34a_100000210245_100011218213 [0,0,1,0,0,0|3,0,0]=4 119 B7R0.4 C=C(C)CSCSC 62a_100000748629_100011218213 [0,0,1,0,0,0|3,0,0]=4 120 B7R0.4 C=C(C)CSCSC 62a_100011218213_100000211660 [0,0,1,0,0,0|3,0,0]=4 121 B7R0.4 C=C(F)COCSC 34a_200010262243_100011218213 [0,0,1,0,0,0|3,0,0]=4 122 B7R0.4 C=C(F)CSCSC 62a_100000042424_100011218213 [0,0,1,0,0,0|3,0,0]=4 123 B7R0.4 C=C(F)CSCSC 62a_100011218213_100000042424 [0,0,1,0,0,0|3,0,0]=4 124 B7R0.4 C=CCNCC(=O)N 2230a_100000711301_100000210623 [0,0,1,0,0,0|2,0,1]=4 125 B7R0.4 C=CCNCC(=O)N 2230a_100020586998_100000747473 [0,0,1,0,0,0|2,0,1]=4 126 B7R0.4 C=CCNCC(=O)O 269956a_100016091260_100000210623 [0,0,1,0,0,0|1,0,1]=3 127 B7R0.4 CC(=O)CCCCF 1458a_100000070787_100000729493 [0,0,1,0,0,0|3,0,0]=4 128 B7R0.4 CC(=O)CCCCO 1458a_100000070787_100000210776 [0,0,1,0,0,0|3,0,0]=4 129 B7R0.4 CC(=O)CCCCO 1458a_100000695505_200000210301 [0,0,1,0,0,0|3,0,0]=4 130 B7R0.4 CC(=O)CCCO[13CH3] 34a_100000759063_200025704644 [0,0,1,0,0,0|2,1,0]=4 131 B7R0.4 CC(=O)CCCO[13CH3] 7a_100000759063_200025704644 [0,0,1,0,0,0|2,1,0]=4 132 B7R0.4 CC(=O)CCCS[13CH3] 62a_100011215641_200025704644 [0,0,1,0,0,0|2,0,0]=3 133 B7R0.4 CC(=O)CCCS[13CH3] 62a_200025704644_100011215641 [0,0,1,0,0,0|2,0,0]=3 134 B7R0.4 CC(=O)CCOCF 34a_100000759926_100015361967 [0,0,1,0,0,0|2,1,0]=4 135 B7R0.4 CC(=O)CCOCF 7a_100000759926_100015361967 [0,0,1,0,0,0|2,1,0]=4 136 B7R0.4 CC(=O)CCSCF 62a_100000053229_100015361967 [0,0,1,0,0,0|2,0,0]=3 137 B7R0.4 CC(=O)CCSCF 62a_100015361967_100000053229 [0,0,1,0,0,0|2,0,0]=3 138 B7R0.4 CC(=O)NCCS[13CH3] 62a_100000189650_200025704644 [0,0,1,0,0,0|3,0,0]=4 139 B7R0.4 CC(=O)NCCS[13CH3] 62a_200025704644_100000189650 [0,0,1,0,0,0|3,0,0]=4 140 B7R0.4 CC(=O)OCCS[13CH3] 62a_100009814007_200025704644 [0,0,1,0,0,0|3,0,0]=4 141 B7R0.4 CC(=O)OCCS[13CH3] 62a_200025704644_100009814007 [0,0,1,0,0,0|3,0,0]=4 142 B7R0.4 CC(=O)OCSCF 62a_100000076356_100015361967 [0,0,1,0,0,0|3,0,0]=4 143 B7R0.4 CC(=O)OCSCF 62a_100015361967_100000076356 [0,0,1,0,0,0|3,0,0]=4 144 B7R0.4 CC(O)CCCS[13CH3] 62a_200000718107_200025704644 [0,0,1,0,0,0|2,0,1]=4 145 B7R0.4 CC(O)CCCS[13CH3] 62a_200025704644_200000718107 [0,0,1,0,0,0|2,0,1]=4 146 B7R0.4 CC(O)CCSCF 62a_100012276601_100015361967 [0,0,1,0,0,0|2,0,1]=4 147 B7R0.4 CC(O)CCSCF 62a_100015361967_100012276601 [0,0,1,0,0,0|2,0,1]=4 148 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [0,0,1,0,0,0|3,0,0]=4 149 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [0,0,1,0,0,0|3,0,0]=4 150 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [0,0,1,0,0,0|3,0,0]=4 151 B7R0.4 CCCNCC(=O)N 2230a_100000711301_100000210303 [0,0,1,0,0,0|2,0,0]=3 152 B7R0.4 CCCNCC(=O)O 269956a_100016091260_100000210207 [0,0,1,0,0,0|1,0,0]=2 153 B7R0.4 CCCNCC(C)O 2230a_100000210904_100000210303 [0,0,1,0,0,0|2,0,1]=4 154 B7R0.4 CCCNCC(C)O 34a_100000210904_100000210303 [0,0,1,0,0,0|2,0,1]=4 155 B7R0.4 CCCNNC(=O)C 22a_100000740057_100000070787 [0,0,1,0,0,0|3,0,0]=4 156 B7R0.4 CCCOCC(=O)C 1458a_100000745993_200000210301 [0,0,1,0,0,0|3,0,0]=4 157 B7R0.4 CCCOCC(=O)C 34a_100000211253_100000210303 [0,0,1,0,0,0|3,0,0]=4 158 B7R0.4 CCCOCC(=O)N 34a_100000210258_100000187820 [0,0,1,0,0,0|3,0,0]=4 159 B7R0.4 CCCOCC(=O)[13CH3] 1458a_100000745993_200025704644 [0,0,1,0,0,0|3,0,0]=4 160 B7R0.4 CCCOCC(=O)[O-] 34a_100000210258_100020667443 [0,0,1,0,0,0|2,0,1]=4 161 B7R0.4 CCCSCC(=O)C 1458a_100000217233_200000210301 [0,0,1,0,0,0|3,0,0]=4 162 B7R0.4 CCCSCC(=O)N 62a_100000210303_100000747473 [0,0,1,0,0,0|3,0,0]=4 163 B7R0.4 CCCSCC(=O)N 62a_100000747473_100000210303 [0,0,1,0,0,0|3,0,0]=4 164 B7R0.4 CCCSCC(=O)[13CH3] 1458a_100000217233_200025704644 [0,0,1,0,0,0|3,0,0]=4 165 B7R0.4 CCCSCC(=O)[O-] 62a_100000210303_100020667443 [0,0,1,0,0,0|2,0,1]=4 166 B7R0.4 CCCSCC(=O)[O-] 62a_100020667443_100000210303 [0,0,1,0,0,0|2,0,1]=4 167 B7R0.4 CCNCCC(=O)N 2230a_100015525214_100000744528 [0,0,1,0,0,0|3,0,0]=4 168 B7R0.4 CCNOCC(=O)O 269956a_100000106656_100000210202 [0,0,1,0,0,0|3,0,0]=4 169 B7R0.4 CCOCCC(=O)C 1458a_100000070787_100011215890 [0,0,1,0,0,0|2,1,0]=4 170 B7R0.4 CCOCCC(=O)C 1458a_100000749530_200000210301 [0,0,1,0,0,0|2,1,0]=4 171 B7R0.4 CCOCCC(=O)C 34a_100000759926_100000210202 [0,0,1,0,0,0|2,1,0]=4 172 B7R0.4 CCOCCC(=O)C 7a_100000759926_100000210202 [0,0,1,0,0,0|2,1,0]=4 173 B7R0.4 CCOCCC(=O)N 34a_100000757172_100000210202 [0,0,1,0,0,0|2,1,0]=4 174 B7R0.4 CCOCCC(=O)N 34a_100121572206_100000731001 [0,0,1,0,0,0|2,1,0]=4 175 B7R0.4 CCOCCC(=O)N 7a_100000757172_100000210202 [0,0,1,0,0,0|2,1,0]=4 176 B7R0.4 CCOCCC(=O)[13CH3] 1458a_100000749530_200025704644 [0,0,1,0,0,0|2,1,0]=4 177 B7R0.4 CCSCCC(=O)C 1458a_100000070787_100000757381 [0,0,1,0,0,0|2,0,0]=3 178 B7R0.4 CCSCCC(=O)C 1458a_100000230768_200000210301 [0,0,1,0,0,0|2,0,0]=3 179 B7R0.4 CCSCCC(=O)C 62a_100000053229_100000210202 [0,0,1,0,0,0|2,0,0]=3 180 B7R0.4 CCSCCC(=O)C 62a_100000210202_100000053229 [0,0,1,0,0,0|2,0,0]=3 181 B7R0.4 CCSCCC(=O)N 62a_100000210202_100000744528 [0,0,1,0,0,0|2,0,0]=3 182 B7R0.4 CCSCCC(=O)N 62a_100000744528_100000210202 [0,0,1,0,0,0|2,0,0]=3 183 B7R0.4 CCSCCC(=O)[13CH3] 1458a_100000230768_200025704644 [0,0,1,0,0,0|2,0,0]=3 184 B7R0.4 CCSCCC(C)O 62a_100000210202_100012276601 [0,0,1,0,0,0|2,0,1]=4 185 B7R0.4 CCSCCC(C)O 62a_100012276601_100000210202 [0,0,1,0,0,0|2,0,1]=4 186 B7R0.4 CCSCOC(=O)C 62a_100000076356_100000210202 [0,0,1,0,0,0|3,0,0]=4 187 B7R0.4 CCSCOC(=O)C 62a_100000210202_100000076356 [0,0,1,0,0,0|3,0,0]=4 188 B7R0.4 CNCCCC(=O)C 34a_100102657272_100000685027 [0,0,1,0,0,0|3,0,0]=4 189 B7R0.4 CNCCCC(=O)C 7a_106832991635_100011215641 [0,0,1,0,0,0|3,0,0]=4 190 B7R0.4 CNCCCC(=O)N 34a_100000739312_200000210301 [0,0,1,0,0,0|3,0,0]=4 191 B7R0.4 CNCCCC(=O)N 34a_100102657272_100102525003 [0,0,1,0,0,0|3,0,0]=4 192 B7R0.4 CNCCCC(=O)N 7a_106832991635_100102525003 [0,0,1,0,0,0|3,0,0]=4 193 B7R0.4 COCCCC(=O)C 1458a_100000070787_100000740836 [0,0,1,0,0,0|2,1,0]=4 194 B7R0.4 COCCCC(=O)C 1458a_100000741012_200000210301 [0,0,1,0,0,0|2,1,0]=4 195 B7R0.4 COCCCC(=O)C 34a_100000759063_200000210301 [0,0,1,0,0,0|2,1,0]=4 196 B7R0.4 COCCCC(=O)C 34a_100138415774_100000685027 [0,0,1,0,0,0|2,1,0]=4 197 B7R0.4 COCCCC(=O)C 7a_100000759063_200000210301 [0,0,1,0,0,0|2,1,0]=4 198 B7R0.4 COCCCC(=O)N 34a_100138415774_100102525003 [0,0,1,0,0,0|2,1,0]=4 199 B7R0.4 COCCCC(=O)[13CH3] 1458a_100000741012_200025704644 [0,0,1,0,0,0|2,1,0]=4 200 B7R0.4 COCNCC(=O)N 2230a_100000711301_100000766300 [0,0,1,0,0,0|1,1,0]=3 201 B7R0.4 COCNCC(=O)O 269956a_100016091260_100000766300 [0,0,1,0,0,0|0,1,0]=2 202 B7R0.4 COCNCC(C)O 2230a_100000210904_100000766300 [0,0,1,0,0,0|1,1,1]=4 203 B7R0.4 COCSCC(=O)N 62a_100000747473_100000766300 [0,0,1,0,0,0|2,1,0]=4 204 B7R0.4 COCSCC(=O)N 62a_100000766300_100000747473 [0,0,1,0,0,0|2,1,0]=4 205 B7R0.4 COCSCC(=O)[O-] 62a_100000766300_100020667443 [0,0,1,0,0,0|1,1,1]=4 206 B7R0.4 COCSCC(=O)[O-] 62a_100020667443_100000766300 [0,0,1,0,0,0|1,1,1]=4 207 B7R0.4 CSCCCC(=O)C 1458a_100000173376_200000210301 [0,0,1,0,0,0|2,0,0]=3 208 B7R0.4 CSCCCC(=O)C 62a_100011215641_200000210301 [0,0,1,0,0,0|2,0,0]=3 209 B7R0.4 CSCCCC(=O)C 62a_200000210301_100011215641 [0,0,1,0,0,0|2,0,0]=3 210 B7R0.4 CSCCCC(=O)N 62a_100102525003_200000210301 [0,0,1,0,0,0|2,0,0]=3 211 B7R0.4 CSCCCC(=O)N 62a_200000210301_100102525003 [0,0,1,0,0,0|2,0,0]=3 212 B7R0.4 CSCCCC(=O)[13CH3] 1458a_100000173376_200025704644 [0,0,1,0,0,0|2,0,0]=3 213 B7R0.4 CSCCCC(C)O 62a_200000210301_200000718107 [0,0,1,0,0,0|2,0,1]=4 214 B7R0.4 CSCCCC(C)O 62a_200000718107_200000210301 [0,0,1,0,0,0|2,0,1]=4 215 B7R0.4 CSCCNC(=O)C 11a_100020590264_100015343762 [0,0,1,0,0,0|3,0,0]=4 216 B7R0.4 CSCCNC(=O)C 1626a_100020590264_100015343762 [0,0,1,0,0,0|3,0,0]=4 217 B7R0.4 CSCCNC(=O)C 240690a_100020590264_100015343762 [0,0,1,0,0,0|3,0,0]=4 218 B7R0.4 CSCCNC(=O)C 527a_100020590264_100103153847 [0,0,1,0,0,0|3,0,0]=4 219 B7R0.4 CSCCNC(=O)C 62a_100000189650_200000210301 [0,0,1,0,0,0|3,0,0]=4 220 B7R0.4 CSCCNC(=O)C 62a_200000210301_100000189650 [0,0,1,0,0,0|3,0,0]=4 221 B7R0.4 CSCCNC(=O)N 62a_200000034859_200000210301 [0,0,1,0,0,0|3,0,0]=4 222 B7R0.4 CSCCNC(=O)N 62a_200000210301_200000034859 [0,0,1,0,0,0|3,0,0]=4 223 B7R0.4 CSCCOC(=O)C 62a_100009814007_200000210301 [0,0,1,0,0,0|3,0,0]=4 224 B7R0.4 CSCCOC(=O)C 62a_200000210301_100009814007 [0,0,1,0,0,0|3,0,0]=4 225 B7R0.4 CSCCOC(=O)N 62a_200000210301_200011214921 [0,0,1,0,0,0|3,0,0]=4 226 B7R0.4 CSCCOC(=O)N 62a_200011214921_200000210301 [0,0,1,0,0,0|3,0,0]=4 227 B7R0.4 CSCNCC(=O)N 2230a_100000711301_100011218213 [0,0,1,0,0,0|1,0,0]=2 228 B7R0.4 CSCNCC(=O)O 269956a_100016091260_100011218213 [0,0,1,0,0,0|0,0,0]=1 229 B7R0.4 CSCNCC(C)C 2230a_100000210953_100011218213 [0,0,1,0,0,0|2,0,1]=4 230 B7R0.4 CSCNCC(C)C 34a_100000210953_100011218213 [0,0,1,0,0,0|2,0,1]=4 231 B7R0.4 CSCNCC(C)O 2230a_100000210904_100011218213 [0,0,1,0,0,0|1,0,1]=3 232 B7R0.4 CSCNCC(C)O 34a_100000210904_100011218213 [0,0,1,0,0,0|1,0,1]=3 233 B7R0.4 CSCNCC(F)F 34a_100000765723_100011218213 [0,0,1,0,0,0|2,0,1]=4 234 B7R0.4 CSCOCC(=O)C 34a_100000211253_100011218213 [0,0,1,0,0,0|2,0,0]=3 235 B7R0.4 CSCSCC(=O)N 62a_100000747473_100011218213 [0,0,1,0,0,0|2,0,0]=3 236 B7R0.4 CSCSCC(=O)N 62a_100011218213_100000747473 [0,0,1,0,0,0|2,0,0]=3 237 B7R0.4 CSCSCC(=O)[O-] 62a_100011218213_100020667443 [0,0,1,0,0,0|1,0,1]=3 238 B7R0.4 CSCSCC(=O)[O-] 62a_100020667443_100011218213 [0,0,1,0,0,0|1,0,1]=3 239 B7R0.4 CSCSCC(C)O 62a_100011218213_100011218427 [0,0,1,0,0,0|2,0,1]=4 240 B7R0.4 CSCSCC(C)O 62a_100011218427_100011218213 [0,0,1,0,0,0|2,0,1]=4 241 B7R0.4 CSCSC[C@@H](C)O 62a_100009817552_100011218213 [0,0,1,0,0,0|2,0,1]=4 242 B7R0.4 CSCSC[C@@H](C)O 62a_100011218213_100009817552 [0,0,1,0,0,0|2,0,1]=4 243 B7R0.4 CSCSC[N+](=O)[O-] 62a_100011218213_100000761209 [0,0,1,0,0,0|2,0,1]=4 244 B7R0.4 N#CCNCC(=O)N 2230a_100000711301_100011215382 [0,0,1,0,0,0|3,0,0]=4 245 B7R0.4 N#CCNCC(=O)O 269956a_100016091260_100011215382 [0,0,1,0,0,0|2,0,0]=3 246 B7R0.4 NC(=O)CCOCF 34a_100000757172_100015361967 [0,0,1,0,0,0|2,1,0]=4 247 B7R0.4 NC(=O)CCOCF 7a_100000757172_100015361967 [0,0,1,0,0,0|2,1,0]=4 248 B7R0.4 NC(=O)CCSCF 62a_100000744528_100015361967 [0,0,1,0,0,0|2,0,0]=3 249 B7R0.4 NC(=O)CCSCF 62a_100015361967_100000744528 [0,0,1,0,0,0|2,0,0]=3 250 B7R0.4 NC(=O)CNCC=O 2230a_100000711301_200015260668 [0,0,1,0,0,0|3,0,0]=4 251 B7R0.4 NC(=O)CNCCF 2230a_100000711301_100011217306 [0,0,1,0,0,0|3,0,0]=4 252 B7R0.4 NC(=O)CNCCF 34a_100000724931_100000187820 [0,0,1,0,0,0|3,0,0]=4 253 B7R0.4 NC(=O)CNCCO 2230a_100000711301_100000211926 [0,0,1,0,0,0|3,0,0]=4 254 B7R0.4 NC(=O)CNCCO 2230a_100016997473_100000747473 [0,0,1,0,0,0|3,0,0]=4 255 B7R0.4 NC(=O)CNCCO 34a_100016990907_100000187820 [0,0,1,0,0,0|3,0,0]=4 256 B7R0.4 NCCOCC(=O)N 34a_100000210304_100000187820 [0,0,1,0,0,0|3,0,0]=4 257 B7R0.4 NCCOCC(=O)[O-] 34a_100000210304_100020667443 [0,0,1,0,0,0|2,0,1]=4 258 B7R0.4 O=C(O)CNCCF 269956a_100016091260_100011217306 [0,0,1,0,0,0|2,0,0]=3 259 B7R0.4 O=C(O)CNCCO 269956a_100016091260_100000211926 [0,0,1,0,0,0|2,0,0]=3 260 B7R0.4 O=C(O)CONCF 269956a_100000106656_100015361967 [0,0,1,0,0,0|3,0,0]=4 261 B7R0.4 O=C([O-])CNCCF 34a_100000724931_100020667443 [0,0,1,0,0,0|2,0,1]=4 262 B7R0.4 O=C([O-])CNCCO 34a_100016990907_100020667443 [0,0,1,0,0,0|2,0,1]=4 263 B7R0.4 O=CCNCC(=O)O 269956a_100016091260_200015260668 [0,0,1,0,0,0|2,0,0]=3 264 B7R0.4 [13CH3]C(=O)CCCCO 1458a_100000695505_200025704644 [0,0,1,0,0,0|3,0,0]=4 265 B7R0.4 [13CH3]NCCCC(=O)N 34a_100000739312_200025704644 [0,0,1,0,0,0|3,0,0]=4 266 B7R0.4 [13CH3]SCCCC(=O)N 62a_100102525003_200025704644 [0,0,1,0,0,0|2,0,0]=3 267 B7R0.4 [13CH3]SCCCC(=O)N 62a_200025704644_100102525003 [0,0,1,0,0,0|2,0,0]=3 268 B7R0.4 [13CH3]SCCNC(=O)N 62a_200000034859_200025704644 [0,0,1,0,0,0|3,0,0]=4 269 B7R0.4 [13CH3]SCCNC(=O)N 62a_200025704644_200000034859 [0,0,1,0,0,0|3,0,0]=4 270 B7R0.4 [13CH3]SCCOC(=O)N 62a_200011214921_200025704644 [0,0,1,0,0,0|3,0,0]=4 271 B7R0.4 [13CH3]SCCOC(=O)N 62a_200025704644_200011214921 [0,0,1,0,0,0|3,0,0]=4 272 B7R0.5 C=C(C)C(C)NCC 269862a_100015525214_100011216138 [0,0,1,0,0,0|3,0,0]=4 273 B7R0.5 CC(=O)C(=O)CS[13CH3] 62a_100011261029_200025704644 [0,0,1,0,0,0|2,0,1]=4 274 B7R0.5 CC(=O)C(=O)CS[13CH3] 62a_200025704644_100011261029 [0,0,1,0,0,0|2,0,1]=4 275 B7R0.5 CC(=O)C(C)CCO 1458a_100000070787_100009893172 [0,0,1,0,0,0|2,1,0]=4 276 B7R0.5 CC(=O)C(C)CO[13CH3] 34a_100000032740_200025704644 [0,0,1,0,0,0|2,1,0]=4 277 B7R0.5 CC(=O)C(C)CO[13CH3] 7a_100000032740_200025704644 [0,0,1,0,0,0|2,1,0]=4 278 B7R0.5 CC(=O)C(C)OCF 34a_100000212229_100015361967 [0,0,1,0,0,0|3,0,0]=4 279 B7R0.5 CC(=O)C(C)SCF 62a_100009814033_100015361967 [0,0,1,0,0,0|3,0,0]=4 280 B7R0.5 CC(=O)C(C)SCF 62a_100015361967_100009814033 [0,0,1,0,0,0|3,0,0]=4 281 B7R0.5 CC(CN[13CH3])C(=O)O 269956a_100000749485_200025704644 [0,0,1,0,0,0|2,0,0]=3 282 B7R0.5 CC(SCF)C(=O)N 62a_100000702099_100015361967 [0,0,1,0,0,0|3,0,0]=4 283 B7R0.5 CC(SCF)C(=O)N 62a_100015361967_100000702099 [0,0,1,0,0,0|3,0,0]=4 284 B7R0.5 CCCC(C)C(=O)C 1458a_100000070787_100000766640 [0,0,1,0,0,0|3,0,0]=4 285 B7R0.5 CCCC(C)C(=O)C 1458a_100000210906_200000210301 [0,0,1,0,0,0|3,0,0]=4 286 B7R0.5 CCCC(C)C(=O)[13CH3] 1458a_100000210906_200025704644 [0,0,1,0,0,0|3,0,0]=4 287 B7R0.5 CCC[C@H](O)C(=O)C 1458a_100009822183_200000210301 [0,0,1,0,0,0|3,0,0]=4 288 B7R0.5 CCC[C@H](O)C(=O)[13CH3] 1458a_100009822183_200025704644 [0,0,1,0,0,0|3,0,0]=4 289 B7R0.5 CCNC(C)C(=O)C 2230a_100015525214_100009814033 [0,0,1,0,0,0|2,0,0]=3 290 B7R0.5 CCNC(C)C(=O)N 2230a_100015525214_100000702099 [0,0,1,0,0,0|2,0,0]=3 291 B7R0.5 CCNC(F)C(=O)N 2230a_100015525214_100009813875 [0,0,1,0,0,0|3,0,0]=4 292 B7R0.5 CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210202 [0,0,1,0,0,0|1,0,0]=2 293 B7R0.5 CCN[C@H](C)C(=O)N 2230a_100000119354_100000210202 [0,0,1,0,0,0|2,0,0]=3 294 B7R0.5 CCN[C@H](C)C(=O)N 34a_100000119354_100000210202 [0,0,1,0,0,0|2,0,0]=3 295 B7R0.5 CCOC(C)C(=O)C 1458a_100000739345_200000210301 [0,0,1,0,0,0|3,0,0]=4 296 B7R0.5 CCOC(C)C(=O)C 34a_100000212229_100000210202 [0,0,1,0,0,0|3,0,0]=4 297 B7R0.5 CCOC(C)C(=O)N 34a_100121572206_100000702099 [0,0,1,0,0,0|3,0,0]=4 298 B7R0.5 CCOC(C)C(=O)[13CH3] 1458a_100000739345_200025704644 [0,0,1,0,0,0|3,0,0]=4 299 B7R0.5 CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210202 [0,0,1,0,0,0|2,0,1]=4 300 B7R0.5 CCO[C@H](C)C(=O)N 34a_100000731257_100000210202 [0,0,1,0,0,0|3,0,0]=4 301 B7R0.5 CCO[C@H](C)C(=O)N 7a_100000731257_100000210202 [0,0,1,0,0,0|3,0,0]=4 302 B7R0.5 CCSC(C)C(=O)C 1458a_100000230601_200000210301 [0,0,1,0,0,0|3,0,0]=4 303 B7R0.5 CCSC(C)C(=O)C 62a_100000210202_100009814033 [0,0,1,0,0,0|3,0,0]=4 304 B7R0.5 CCSC(C)C(=O)C 62a_100009814033_100000210202 [0,0,1,0,0,0|3,0,0]=4 305 B7R0.5 CCSC(C)C(=O)N 62a_100000210202_100000702099 [0,0,1,0,0,0|3,0,0]=4 306 B7R0.5 CCSC(C)C(=O)N 62a_100000702099_100000210202 [0,0,1,0,0,0|3,0,0]=4 307 B7R0.5 CCSC(C)C(=O)[13CH3] 1458a_100000230601_200025704644 [0,0,1,0,0,0|3,0,0]=4 308 B7R0.5 CNCC(C)C(=O)O 269956a_100000749485_200000210301 [0,0,1,0,0,0|2,0,0]=3 309 B7R0.5 CNCC(F)C(=O)O 269956a_100000084737_200000210301 [0,0,1,0,0,0|2,0,0]=3 310 B7R0.5 COCC(C)C(=O)C 1458a_100000070787_100000765312 [0,0,1,0,0,0|2,1,0]=4 311 B7R0.5 COCC(C)C(=O)C 1458a_100000751857_200000210301 [0,0,1,0,0,0|2,1,0]=4 312 B7R0.5 COCC(C)C(=O)C 34a_100000032740_200000210301 [0,0,1,0,0,0|2,1,0]=4 313 B7R0.5 COCC(C)C(=O)C 7a_100000032740_200000210301 [0,0,1,0,0,0|2,1,0]=4 314 B7R0.5 COCC(C)C(=O)[13CH3] 1458a_100000751857_200025704644 [0,0,1,0,0,0|2,1,0]=4 315 B7R0.5 COC[C@H](N)C(=O)N 34a_100000729942_200000210301 [0,0,1,0,0,0|1,1,0]=3 316 B7R0.5 CSCC(=O)C(=O)C 62a_100011261029_200000210301 [0,0,1,0,0,0|2,0,1]=4 317 B7R0.5 CSCC(=O)C(=O)C 62a_200000210301_100011261029 [0,0,1,0,0,0|2,0,1]=4 318 B7R0.5 CSCC(C)C(=O)C 1458a_100000753918_200000210301 [0,0,1,0,0,0|2,0,0]=3 319 B7R0.5 CSCC(C)C(=O)[13CH3] 1458a_100000753918_200025704644 [0,0,1,0,0,0|2,0,0]=3 320 B7R0.5 C[C@@H](NCF)C(=O)N 34a_100000119354_100015361967 [0,0,1,0,0,0|2,0,0]=3 321 B7R0.5 C[C@@H](OCF)C(=O)N 34a_100000731257_100015361967 [0,0,1,0,0,0|3,0,0]=4 322 B7R0.5 C[C@@H](OCF)C(=O)N 7a_100000731257_100015361967 [0,0,1,0,0,0|3,0,0]=4 323 B7R0.5 C[C@H](NCF)C(=O)O 269956a_100000743915_100015361967 [0,0,1,0,0,0|1,0,0]=2 324 B7R0.5 C[C@H](OCF)C(=O)[O-] 7a_217856618621_100015361967 [0,0,1,0,0,0|2,0,1]=4 325 B7R0.5 [13CH3]NCC(F)C(=O)O 269956a_100000084737_200025704644 [0,0,1,0,0,0|2,0,0]=3 326 B7R0.5 [13CH3]OC[C@H](N)C(=O)N 34a_100000729942_200025704644 [0,0,1,0,0,0|1,1,0]=3 327 B7R0.15 C=C[C@H](NC)C(=O)O 269956a_100016992060_200000210301 [0,0,1,0,0,0|1,0,1]=3 328 B7R0.15 C=C[C@H](N[13CH3])C(=O)O 269956a_100016992060_200025704644 [0,0,1,0,0,0|1,0,1]=3 329 B7R0.15 CCC(CC)C(=O)C 1458a_100000070787_100000210505 [0,0,1,0,0,0|3,0,0]=4 330 B7R0.15 CCC(CC)C(=O)C 1458a_100000211163_200000210301 [0,0,1,0,0,0|3,0,0]=4 331 B7R0.15 CCC(CC)C(=O)[13CH3] 1458a_100000211163_200025704644 [0,0,1,0,0,0|3,0,0]=4 332 B7R0.15 CCC(NC)C(=O)N 2230a_100000733705_200000210301 [0,0,1,0,0,0|2,0,0]=3 333 B7R0.15 CCC(NC)C(=O)N 2230a_106832991635_100000750255 [0,0,1,0,0,0|2,0,0]=3 334 B7R0.15 CCC(NC)C(=O)N 34a_100000733705_200000210301 [0,0,1,0,0,0|2,0,0]=3 335 B7R0.15 CCC(NC)C(=O)N 34a_100102657272_100000750255 [0,0,1,0,0,0|2,0,0]=3 336 B7R0.15 CCC(NC)C(=O)N 7a_106832991635_100000750255 [0,0,1,0,0,0|2,0,0]=3 337 B7R0.15 CCC(N[13CH3])C(=O)N 2230a_100000733705_200025704644 [0,0,1,0,0,0|2,0,0]=3 338 B7R0.15 CCC(N[13CH3])C(=O)N 34a_100000733705_200025704644 [0,0,1,0,0,0|2,0,0]=3 339 B7R0.15 CCC(OC)C(=O)C 1458a_100000747056_200000210301 [0,0,1,0,0,0|3,0,0]=4 340 B7R0.15 CCC(OC)C(=O)N 34a_100138415774_100000750255 [0,0,1,0,0,0|3,0,0]=4 341 B7R0.15 CCC(OC)C(=O)[13CH3] 1458a_100000747056_200025704644 [0,0,1,0,0,0|3,0,0]=4 342 B7R0.15 CCC(SC)C(=O)N 62a_100000750255_200000210301 [0,0,1,0,0,0|3,0,0]=4 343 B7R0.15 CCC(SC)C(=O)N 62a_200000210301_100000750255 [0,0,1,0,0,0|3,0,0]=4 344 B7R0.15 CCC(S[13CH3])C(=O)N 62a_100000750255_200025704644 [0,0,1,0,0,0|3,0,0]=4 345 B7R0.15 CCC(S[13CH3])C(=O)N 62a_200025704644_100000750255 [0,0,1,0,0,0|3,0,0]=4 346 B7R0.15 CC[C@@H](NC)C(=O)O 269956a_100000747097_200000210301 [0,0,1,0,0,0|1,0,0]=2 347 B7R0.15 CC[C@@H](N[13CH3])C(=O)O 269956a_100000747097_200025704644 [0,0,1,0,0,0|1,0,0]=2 348 B7R0.15 CC[C@H](NC)[C@@H](C)O 2230a_100161114882_200000210301 [0,0,1,0,0,0|2,0,1]=4 349 B7R0.15 CC[C@H](NC)[C@@H](C)O 34a_100161114882_200000210301 [0,0,1,0,0,0|2,0,1]=4 350 B7R0.15 CC[C@H](N[13CH3])[C@@H](C)O 2230a_100161114882_200025704644 [0,0,1,0,0,0|2,0,1]=4 351 B7R0.15 CC[C@H](N[13CH3])[C@@H](C)O 34a_100161114882_200025704644 [0,0,1,0,0,0|2,0,1]=4 352 B7R0.15 CNC(C#N)C(=O)N 2230a_100000039599_200000210301 [0,0,1,0,0,0|2,0,1]=4 353 B7R0.15 CNC(CO)C(=O)O 269956a_100000187304_200000210301 [0,0,1,0,0,0|0,1,0]=2 354 B7R0.15 CN[C@@H](CO)C(=O)N 2230a_100000729942_200000210301 [0,0,1,0,0,0|1,1,0]=3 355 B7R0.15 CN[C@@H](CO)C(=O)N 34a_100000729942_200000210301 [0,0,1,0,0,0|1,1,0]=3 356 B7R0.15 CN[C@H](CO)[C@@H](C)O 2230a_100015196842_200000210301 [0,0,1,0,0,0|1,1,1]=4 357 B7R0.15 CN[C@H](CO)[C@@H](C)O 34a_100015196842_200000210301 [0,0,1,0,0,0|1,1,1]=4 358 B7R0.15 C[C@@H](O)[C@@H](CO)N[13CH3] 2230a_100015196842_200025704644 [0,0,1,0,0,0|1,1,1]=4 359 B7R0.15 C[C@@H](O)[C@@H](CO)N[13CH3] 34a_100015196842_200025704644 [0,0,1,0,0,0|1,1,1]=4 360 B7R0.15 [13CH3]NC(C#N)C(=O)N 2230a_100000039599_200025704644 [0,0,1,0,0,0|2,0,1]=4 361 B7R0.15 [13CH3]NC(CO)C(=O)O 269956a_100000187304_200025704644 [0,0,1,0,0,0|0,1,0]=2 362 B7R0.15 [13CH3]N[C@@H](CO)C(=O)N 2230a_100000729942_200025704644 [0,0,1,0,0,0|1,1,0]=3 363 B7R0.15 [13CH3]N[C@@H](CO)C(=O)N 34a_100000729942_200025704644 [0,0,1,0,0,0|1,1,0]=3 364 B7R1.18 CC(=O)C1CCC1 1458a_100000070787_100000749161 [0,0,0,0,1,0|2,0,0]=3 365 B7R1.18 CC(=O)C1CCC1 1458a_100000209988_200000210301 [0,0,0,0,1,0|2,0,0]=3 366 B7R1.18 CC(=O)C1CCO1 1458a_100000089072_200000210301 [0,0,0,0,1,0|2,0,0]=3 367 B7R1.18 CC(=O)C1COC1 1458a_100000070787_100000687716 [0,0,0,0,1,0|1,1,0]=3 368 B7R1.18 CC(=O)C1COC1 1458a_100000758290_200000210301 [0,0,0,0,1,0|1,1,0]=3 369 B7R1.18 CC(=O)N1CCC1 11a_100000754969_100015343762 [0,0,0,0,1,0|3,0,0]=4 370 B7R1.18 CC(=O)N1CCC1 240690a_100000754969_100015343762 [0,0,0,0,1,0|3,0,0]=4 371 B7R1.18 CC(=O)N1CCC1 527a_100000754969_100103153847 [0,0,0,0,1,0|3,0,0]=4 372 B7R1.18 [13CH3]C(=O)C1CCC1 1458a_100000209988_200025704644 [0,0,0,0,1,0|2,0,0]=3 373 B7R1.18 [13CH3]C(=O)C1CCO1 1458a_100000089072_200025704644 [0,0,0,0,1,0|2,0,0]=3 374 B7R1.18 [13CH3]C(=O)C1COC1 1458a_100000758290_200025704644 [0,0,0,0,1,0|1,1,0]=3 375 B9R1.6 CC(=O)C1C=CCCC1 1458a_100000070787_100000751183 [0,0,0,0,0,1|3,0,0]=4 376 B9R1.6 CC(=O)C1CCCCC1 1458a_100000070787_100000210327 [0,0,0,0,0,1|3,0,0]=4 377 B9R1.6 CC(=O)C1CCCCC1 1458a_100000210647_200000210301 [0,0,0,0,0,1|3,0,0]=4 378 B9R1.6 CC(=O)C1CCCCO1 1458a_100000748299_200000210301 [0,0,0,0,0,1|3,0,0]=4 379 B9R1.6 CC(=O)C1CCCOC1 1458a_100000070787_100000693364 [0,0,0,0,0,1|2,1,0]=4 380 B9R1.6 CC(=O)C1CCCOC1 1458a_100000741522_200000210301 [0,0,0,0,0,1|2,1,0]=4 381 B9R1.6 CC(=O)C1CCOCC1 1458a_100000070787_100011324220 [0,0,0,0,0,1|2,1,0]=4 382 B9R1.6 CC(=O)C1CCOCC1 1458a_100000195482_200000210301 [0,0,0,0,0,1|2,1,0]=4 383 B9R1.6 CC(=O)C1CCSCC1 1458a_100000755232_200000210301 [0,0,0,0,0,1|2,0,0]=3 384 B9R1.6 CC(=O)C1COCCO1 1458a_100000045528_200000210301 [0,0,0,0,0,1|2,1,0]=4 385 B9R1.6 CC(=O)C1SCCCS1 1458a_100000028545_200000210301 [0,0,0,0,0,1|3,0,0]=4 386 B9R1.6 CC(=O)N1CCSCC1 11a_100000737611_100015343762 [0,0,0,0,0,1|3,0,0]=4 387 B9R1.6 CC(=O)N1CCSCC1 240690a_100000737611_100015343762 [0,0,0,0,0,1|3,0,0]=4 388 B9R1.6 CC(=O)N1CCSCC1 527a_100000737611_100103153847 [0,0,0,0,0,1|3,0,0]=4 389 B9R1.6 CC(=O)[C@H]1CC=CCC1 1458a_100009820709_200000210301 [0,0,0,0,0,1|3,0,0]=4 390 B9R1.6 [13CH3]C(=O)C1CCCCC1 1458a_100000210647_200025704644 [0,0,0,0,0,1|3,0,0]=4 391 B9R1.6 [13CH3]C(=O)C1CCCCO1 1458a_100000748299_200025704644 [0,0,0,0,0,1|3,0,0]=4 392 B9R1.6 [13CH3]C(=O)C1CCCOC1 1458a_100000741522_200025704644 [0,0,0,0,0,1|2,1,0]=4 393 B9R1.6 [13CH3]C(=O)C1CCOCC1 1458a_100000195482_200025704644 [0,0,0,0,0,1|2,1,0]=4 394 B9R1.6 [13CH3]C(=O)C1CCSCC1 1458a_100000755232_200025704644 [0,0,0,0,0,1|2,0,0]=3 395 B9R1.6 [13CH3]C(=O)C1COCCO1 1458a_100000045528_200025704644 [0,0,0,0,0,1|2,1,0]=4 396 B9R1.6 [13CH3]C(=O)C1SCCCS1 1458a_100000028545_200025704644 [0,0,0,0,0,1|3,0,0]=4 397 B9R1.6 [13CH3]C(=O)[C@H]1CC=CCC1 1458a_100009820709_200025704644 [0,0,0,0,0,1|3,0,0]=4 398 B9R1.13 CC(=O)CC1CCCC1 1458a_100000070787_100000740388 [0,0,0,0,0,1|3,0,0]=4 399 B9R1.13 CC(=O)CC1CCCC1 1458a_100000210891_200000210301 [0,0,0,0,0,1|3,0,0]=4 400 B9R1.13 CC(=O)CC1CCCO1 1458a_100000070787_100000203698 [0,0,0,0,0,1|3,0,0]=4 401 B9R1.13 CC(=O)CC1CCOC1 1458a_100000070787_100000702531 [0,0,0,0,0,1|2,1,0]=4 402 B9R1.13 CC(=O)CC1CCOC1 1458a_100011218419_200000210301 [0,0,0,0,0,1|2,1,0]=4 403 B9R1.13 CC(=O)NC1CCCC1 11a_100000211070_100015343762 [0,0,0,0,0,1|3,0,0]=4 404 B9R1.13 CC(=O)NC1CCCC1 1626a_100000211070_100015343762 [0,0,0,0,0,1|3,0,0]=4 405 B9R1.13 CC(=O)NC1CCCC1 240690a_100000211070_100015343762 [0,0,0,0,0,1|3,0,0]=4 406 B9R1.13 CC(=O)NC1CCCC1 527a_100000211070_100103153847 [0,0,0,0,0,1|3,0,0]=4 407 B9R1.13 CC(=O)N[C@@H]1CCOC1 240690a_200015188469_100015343762 [0,0,0,0,0,1|2,1,0]=4 408 B9R1.13 CC(=O)N[C@@H]1CCOC1 527a_200015188469_100103153847 [0,0,0,0,0,1|2,1,0]=4 409 B9R1.13 CC(=O)N[C@H]1CCOC1 11a_100015188467_100015343762 [0,0,0,0,0,1|2,1,0]=4 410 B9R1.13 CC(=O)N[C@H]1CCOC1 1626a_100015188467_100015343762 [0,0,0,0,0,1|2,1,0]=4 411 B9R1.13 CC(=O)N[C@H]1CCOC1 240690a_100015188467_100015343762 [0,0,0,0,0,1|2,1,0]=4 412 B9R1.13 CC(=O)N[C@H]1CCOC1 527a_100015188467_100103153847 [0,0,0,0,0,1|2,1,0]=4 413 B9R1.13 NC(=O)CN1CCSC1 2230a_100011215254_100000747473 [0,0,0,0,0,1|3,0,0]=4 414 B9R1.13 NC(=O)CN1CCSC1 269982a_100011215254_100000187820 [0,0,0,0,0,1|3,0,0]=4 415 B9R1.13 O=C([O-])CN1CCSC1 269982a_100011215254_100020667443 [0,0,0,0,0,1|2,0,1]=4 416 B9R1.13 [13CH3]C(=O)CC1CCCC1 1458a_100000210891_200025704644 [0,0,0,0,0,1|3,0,0]=4 417 B9R1.13 [13CH3]C(=O)CC1CCOC1 1458a_100011218419_200025704644 [0,0,0,0,0,1|2,1,0]=4 418 B6R0.4 C=C(C)CCSC 62a_100000730704_200000210301 [1,0,1,0,0,0|2,0,0]=4 419 B6R0.4 C=C(C)CCSC 62a_200000210301_100000730704 [1,0,1,0,0,0|2,0,0]=4 420 B6R0.4 C=C(C)CCS[13CH3] 62a_100000730704_200025704644 [1,0,1,0,0,0|2,0,0]=4 421 B6R0.4 C=C(C)CCS[13CH3] 62a_200025704644_100000730704 [1,0,1,0,0,0|2,0,0]=4 422 B6R0.4 C=C(C)CNCC 2230a_100015525214_100000748629 [1,0,1,0,0,0|2,0,0]=4 423 B6R0.4 C=C(F)CNCC 2230a_100015525214_100009893438 [1,0,1,0,0,0|2,0,0]=4 424 B6R0.4 CC(=O)CCCF 1458a_100000070787_100011934791 [1,0,1,0,0,0|2,0,0]=4 425 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [1,0,1,0,0,0|2,0,0]=4 426 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [1,0,1,0,0,0|1,1,0]=4 427 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [1,0,1,0,0,0|1,1,0]=4 428 B6R0.4 CC(=O)CCS[13CH3] 62a_100000053229_200025704644 [1,0,1,0,0,0|1,0,0]=3 429 B6R0.4 CC(=O)CCS[13CH3] 62a_200025704644_100000053229 [1,0,1,0,0,0|1,0,0]=3 430 B6R0.4 CC(=O)OCS[13CH3] 62a_100000076356_200025704644 [1,0,1,0,0,0|2,0,0]=4 431 B6R0.4 CC(=O)OCS[13CH3] 62a_200025704644_100000076356 [1,0,1,0,0,0|2,0,0]=4 432 B6R0.4 CC(O)CCS[13CH3] 62a_100012276601_200025704644 [1,0,1,0,0,0|1,0,1]=4 433 B6R0.4 CC(O)CCS[13CH3] 62a_200025704644_100012276601 [1,0,1,0,0,0|1,0,1]=4 434 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [1,0,1,0,0,0|2,0,0]=4 435 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [1,0,1,0,0,0|2,0,0]=4 436 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [1,0,1,0,0,0|2,0,0]=4 437 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [1,0,1,0,0,0|2,0,0]=4 438 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [1,0,1,0,0,0|2,0,0]=4 439 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [1,0,1,0,0,0|2,0,0]=4 440 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [1,0,1,0,0,0|2,0,0]=4 441 B6R0.4 CCNCC(=O)N 2230a_100000711301_100000210202 [1,0,1,0,0,0|1,0,0]=3 442 B6R0.4 CCNCC(=O)N 2230a_100015525214_100000747473 [1,0,1,0,0,0|1,0,0]=3 443 B6R0.4 CCNCC(=O)O 269956a_100016091260_100000210202 [1,0,1,0,0,0|0,0,0]=2 444 B6R0.4 CCNCC(C)O 2230a_100000210904_100000210202 [1,0,1,0,0,0|1,0,1]=4 445 B6R0.4 CCNCC(C)O 2230a_100015525214_100011218427 [1,0,1,0,0,0|1,0,1]=4 446 B6R0.4 CCNCC(C)O 34a_100000210904_100000210202 [1,0,1,0,0,0|1,0,1]=4 447 B6R0.4 CCNC[C@@H](C)O 2230a_100015525214_100009817552 [1,0,1,0,0,0|1,0,1]=4 448 B6R0.4 CCNNC(=O)C 22a_100000756455_100000070787 [1,0,1,0,0,0|2,0,0]=4 449 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [1,0,1,0,0,0|2,0,0]=4 450 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [1,0,1,0,0,0|2,0,0]=4 451 B6R0.4 CCOCC(=O)N 34a_100121572206_100000187820 [1,0,1,0,0,0|2,0,0]=4 452 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [1,0,1,0,0,0|2,0,0]=4 453 B6R0.4 CCOCC(=O)[O-] 34a_100121572206_100020667443 [1,0,1,0,0,0|1,0,1]=4 454 B6R0.4 CCSCC(=O)C 1458a_100000230394_200000210301 [1,0,1,0,0,0|2,0,0]=4 455 B6R0.4 CCSCC(=O)N 62a_100000210202_100000747473 [1,0,1,0,0,0|2,0,0]=4 456 B6R0.4 CCSCC(=O)N 62a_100000747473_100000210202 [1,0,1,0,0,0|2,0,0]=4 457 B6R0.4 CCSCC(=O)[13CH3] 1458a_100000230394_200025704644 [1,0,1,0,0,0|2,0,0]=4 458 B6R0.4 CCSCC(=O)[O-] 62a_100000210202_100020667443 [1,0,1,0,0,0|1,0,1]=4 459 B6R0.4 CCSCC(=O)[O-] 62a_100020667443_100000210202 [1,0,1,0,0,0|1,0,1]=4 460 B6R0.4 CNCCC(=O)C 7a_106832991635_100000053229 [1,0,1,0,0,0|2,0,0]=4 461 B6R0.4 CNCCC(=O)N 2230a_106832991635_100000744528 [1,0,1,0,0,0|2,0,0]=4 462 B6R0.4 CNCCC(=O)N 34a_100102657272_100000731001 [1,0,1,0,0,0|2,0,0]=4 463 B6R0.4 CNCCC(=O)N 7a_106832991635_100000744528 [1,0,1,0,0,0|2,0,0]=4 464 B6R0.4 CNOCC(=O)O 269956a_100000106656_200000210301 [1,0,1,0,0,0|2,0,0]=4 465 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [1,0,1,0,0,0|1,1,0]=4 466 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [1,0,1,0,0,0|1,1,0]=4 467 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [1,0,1,0,0,0|1,1,0]=4 468 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [1,0,1,0,0,0|1,1,0]=4 469 B6R0.4 COCCC(=O)N 34a_100000757172_200000210301 [1,0,1,0,0,0|1,1,0]=4 470 B6R0.4 COCCC(=O)N 34a_100138415774_100000731001 [1,0,1,0,0,0|1,1,0]=4 471 B6R0.4 COCCC(=O)N 7a_100000757172_200000210301 [1,0,1,0,0,0|1,1,0]=4 472 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [1,0,1,0,0,0|1,1,0]=4 473 B6R0.4 CSCCC(=O)C 1458a_100000070787_100000751147 [1,0,1,0,0,0|1,0,0]=3 474 B6R0.4 CSCCC(=O)C 1458a_100000174002_200000210301 [1,0,1,0,0,0|1,0,0]=3 475 B6R0.4 CSCCC(=O)C 62a_100000053229_200000210301 [1,0,1,0,0,0|1,0,0]=3 476 B6R0.4 CSCCC(=O)C 62a_200000210301_100000053229 [1,0,1,0,0,0|1,0,0]=3 477 B6R0.4 CSCCC(=O)N 62a_100000744528_200000210301 [1,0,1,0,0,0|1,0,0]=3 478 B6R0.4 CSCCC(=O)N 62a_200000210301_100000744528 [1,0,1,0,0,0|1,0,0]=3 479 B6R0.4 CSCCC(=O)[13CH3] 1458a_100000174002_200025704644 [1,0,1,0,0,0|1,0,0]=3 480 B6R0.4 CSCCC(C)O 62a_100012276601_200000210301 [1,0,1,0,0,0|1,0,1]=4 481 B6R0.4 CSCCC(C)O 62a_200000210301_100012276601 [1,0,1,0,0,0|1,0,1]=4 482 B6R0.4 CSCOC(=O)C 62a_100000076356_200000210301 [1,0,1,0,0,0|2,0,0]=4 483 B6R0.4 CSCOC(=O)C 62a_200000210301_100000076356 [1,0,1,0,0,0|2,0,0]=4 484 B6R0.4 NC(=O)CSCF 62a_100000747473_100015361967 [1,0,1,0,0,0|2,0,0]=4 485 B6R0.4 NC(=O)CSCF 62a_100015361967_100000747473 [1,0,1,0,0,0|2,0,0]=4 486 B6R0.4 O=C(O)CNCF 269956a_100016091260_100015361967 [1,0,1,0,0,0|1,0,0]=3 487 B6R0.4 O=C([O-])CSCF 62a_100015361967_100020667443 [1,0,1,0,0,0|1,0,1]=4 488 B6R0.4 O=C([O-])CSCF 62a_100020667443_100015361967 [1,0,1,0,0,0|1,0,1]=4 489 B6R0.4 [13CH3]NOCC(=O)O 269956a_100000106656_200025704644 [1,0,1,0,0,0|2,0,0]=4 490 B6R0.4 [13CH3]OCCC(=O)N 34a_100000757172_200025704644 [1,0,1,0,0,0|1,1,0]=4 491 B6R0.4 [13CH3]OCCC(=O)N 7a_100000757172_200025704644 [1,0,1,0,0,0|1,1,0]=4 492 B6R0.4 [13CH3]SCCC(=O)N 62a_100000744528_200025704644 [1,0,1,0,0,0|1,0,0]=3 493 B6R0.4 [13CH3]SCCC(=O)N 62a_200025704644_100000744528 [1,0,1,0,0,0|1,0,0]=3 494 B6R0.6 C#CCNCC=O 34a_100000212058_200009817547 [1,0,1,0,0,0|1,0,1]=4 495 B6R0.6 C#CCNCSC 34a_100000212058_100011218213 [1,0,1,0,0,0|1,0,1]=4 496 B6R0.6 C=CCCCSC 62a_100011713584_200000210301 [1,0,1,0,0,0|2,0,0]=4 497 B6R0.6 C=CCCCSC 62a_200000210301_100000757094 [1,0,1,0,0,0|2,0,0]=4 498 B6R0.6 C=CCCCS[13CH3] 62a_100011713584_200025704644 [1,0,1,0,0,0|2,0,0]=4 499 B6R0.6 C=CCCCS[13CH3] 62a_200025704644_100000757094 [1,0,1,0,0,0|2,0,0]=4 500 B6R0.6 C=CCCSCC 62a_100000210202_100000754431 [1,0,1,0,0,0|2,0,0]=4 501 B6R0.6 C=CCCSCC 62a_100000754431_100000210202 [1,0,1,0,0,0|2,0,0]=4 502 B6R0.6 C=CCCSCF 62a_100000754431_100015361967 [1,0,1,0,0,0|2,0,0]=4 503 B6R0.6 C=CCCSCF 62a_100015361967_100000754431 [1,0,1,0,0,0|2,0,0]=4 504 B6R0.6 C=CCNCC=O 2230a_100020586998_200015260668 [1,0,1,0,0,0|1,0,1]=4 505 B6R0.6 C=CCNCCC 2230a_100020586998_100000210303 [1,0,1,0,0,0|2,0,0]=4 506 B6R0.6 C=CCNCOC 2230a_100020586998_100000766300 [1,0,1,0,0,0|1,1,0]=4 507 B6R0.6 C=CCNCSC 2230a_100020586998_100011218213 [1,0,1,0,0,0|1,0,0]=3 508 B6R0.6 C=CCOCSC 34a_200000210373_100011218213 [1,0,1,0,0,0|2,0,0]=4 509 B6R0.6 C=CCSCSC 62a_100000210623_100011218213 [1,0,1,0,0,0|2,0,0]=4 510 B6R0.6 C=CCSCSC 62a_100011218213_100000210623 [1,0,1,0,0,0|2,0,0]=4 511 B6R0.6 CCCNCCO 2230a_100016997473_100000210303 [1,0,1,0,0,0|1,0,1]=4 512 B6R0.6 CCCNCCO 34a_100016990907_100000210303 [1,0,1,0,0,0|1,0,1]=4 513 B6R0.6 CCCOCC=O 34a_100000210258_200009817547 [1,0,1,0,0,0|2,0,0]=4 514 B6R0.6 CCCSCC=O 62a_100000210303_200015260668 [1,0,1,0,0,0|2,0,0]=4 515 B6R0.6 CCCSCC=O 62a_200015260668_100000210303 [1,0,1,0,0,0|2,0,0]=4 516 B6R0.6 CCSCCCO 62a_100000210202_100011215043 [1,0,1,0,0,0|1,0,1]=4 517 B6R0.6 CCSCCCO 62a_100011215043_100000210202 [1,0,1,0,0,0|1,0,1]=4 518 B6R0.6 CNCCCC=O 2230a_106832991635_200011292268 [1,0,1,0,0,0|2,0,0]=4 519 B6R0.6 CNCCCC=O 7a_106832991635_200011292268 [1,0,1,0,0,0|2,0,0]=4 520 B6R0.6 COCNCCO 2230a_100016997473_100000766300 [1,0,1,0,0,0|0,1,1]=4 521 B6R0.6 COCSCC=O 62a_100000766300_200015260668 [1,0,1,0,0,0|1,1,0]=4 522 B6R0.6 COCSCC=O 62a_200015260668_100000766300 [1,0,1,0,0,0|1,1,0]=4 523 B6R0.6 CSCCCC=O 62a_200000210301_200011292268 [1,0,1,0,0,0|1,0,0]=3 524 B6R0.6 CSCCCC=O 62a_200011292268_200000210301 [1,0,1,0,0,0|1,0,0]=3 525 B6R0.6 CSCCCCO 62a_100000210776_200000210301 [1,0,1,0,0,0|1,0,1]=4 526 B6R0.6 CSCCCCO 62a_200000210301_100000210776 [1,0,1,0,0,0|1,0,1]=4 527 B6R0.6 CSCNCCF 34a_100000724931_100011218213 [1,0,1,0,0,0|1,0,1]=4 528 B6R0.6 CSCNCCO 2230a_100016997473_100011218213 [1,0,1,0,0,0|0,0,1]=3 529 B6R0.6 CSCNCCO 34a_100016990907_100011218213 [1,0,1,0,0,0|0,0,1]=3 530 B6R0.6 CSCSCC=O 62a_100011218213_200015260668 [1,0,1,0,0,0|1,0,0]=3 531 B6R0.6 CSCSCC=O 62a_200015260668_100011218213 [1,0,1,0,0,0|1,0,0]=3 532 B6R0.6 CSCSCCO 62a_100000211926_100011218213 [1,0,1,0,0,0|1,0,1]=4 533 B6R0.6 CSCSCCO 62a_100011218213_100000211926 [1,0,1,0,0,0|1,0,1]=4 534 B6R0.6 NCCOCC=O 34a_100000210304_200009817547 [1,0,1,0,0,0|2,0,0]=4 535 B6R0.6 O=CCNCCF 34a_100000724931_200009817547 [1,0,1,0,0,0|2,0,0]=4 536 B6R0.6 O=CCNCCO 2230a_100016997473_200015260668 [1,0,1,0,0,0|2,0,0]=4 537 B6R0.6 O=CCNCCO 34a_100016990907_200009817547 [1,0,1,0,0,0|2,0,0]=4 538 B6R0.6 OCCCSCF 62a_100011215043_100015361967 [1,0,1,0,0,0|1,0,1]=4 539 B6R0.6 OCCCSCF 62a_100015361967_100011215043 [1,0,1,0,0,0|1,0,1]=4 540 B6R0.6 [13CH3]SCCCC=O 62a_200011292268_200025704644 [1,0,1,0,0,0|1,0,0]=3 541 B6R0.6 [13CH3]SCCCC=O 62a_200025704644_200011292268 [1,0,1,0,0,0|1,0,0]=3 542 B6R0.6 [13CH3]SCCCCO 62a_100000210776_200025704644 [1,0,1,0,0,0|1,0,1]=4 543 B6R0.6 [13CH3]SCCCCO 62a_200025704644_100000210776 [1,0,1,0,0,0|1,0,1]=4 544 B6R0.1 C=CC(O)CSC 62a_100000730141_200000210301 [1,0,1,0,0,0|2,0,0]=4 545 B6R0.1 C=CC(O)CSC 62a_200000210301_100000730141 [1,0,1,0,0,0|2,0,0]=4 546 B6R0.1 C=CC(O)CS[13CH3] 62a_100000730141_200025704644 [1,0,1,0,0,0|2,0,0]=4 547 B6R0.1 C=CC(O)CS[13CH3] 62a_200025704644_100000730141 [1,0,1,0,0,0|2,0,0]=4 548 B6R0.1 C=C[C@H](N)COC 34a_100016989147_200000210301 [1,0,1,0,0,0|1,1,0]=4 549 B6R0.1 C=C[C@H](N)CO[13CH3] 34a_100016989147_200025704644 [1,0,1,0,0,0|1,1,0]=4 550 B6R0.1 CCNC(C)CO 2230a_100015525214_100012180447 [1,0,1,0,0,0|1,0,1]=4 551 B6R0.1 CCN[C@H](C)CO 2230a_100000737577_100000210202 [1,0,1,0,0,0|1,0,1]=4 552 B6R0.1 CSCC(O)CO 62a_100011219619_200000210301 [1,0,1,0,0,0|1,0,1]=4 553 B6R0.1 CSCC(O)CO 62a_200000210301_100011219619 [1,0,1,0,0,0|1,0,1]=4 554 B6R0.1 CSC[C@@H](C)CO 62a_100000059175_200000210301 [1,0,1,0,0,0|1,0,1]=4 555 B6R0.1 CSC[C@@H](C)CO 62a_200000210301_100000059175 [1,0,1,0,0,0|1,0,1]=4 556 B6R0.1 CSC[C@@H](O)CO 62a_100009815848_200000210301 [1,0,1,0,0,0|1,0,1]=4 557 B6R0.1 CSC[C@@H](O)CO 62a_200000210301_100009815848 [1,0,1,0,0,0|1,0,1]=4 558 B6R0.1 C[C@@H](CO)CS[13CH3] 62a_100000059175_200025704644 [1,0,1,0,0,0|1,0,1]=4 559 B6R0.1 C[C@@H](CO)CS[13CH3] 62a_200025704644_100000059175 [1,0,1,0,0,0|1,0,1]=4 560 B6R0.1 [13CH3]SCC(O)CO 62a_100011219619_200025704644 [1,0,1,0,0,0|1,0,1]=4 561 B6R0.1 [13CH3]SCC(O)CO 62a_200025704644_100011219619 [1,0,1,0,0,0|1,0,1]=4 562 B6R0.1 [13CH3]SC[C@@H](O)CO 62a_100009815848_200025704644 [1,0,1,0,0,0|1,0,1]=4 563 B6R0.1 [13CH3]SC[C@@H](O)CO 62a_200025704644_100009815848 [1,0,1,0,0,0|1,0,1]=4 564 B6R0.3 C=C(C)C(C)NC 269862a_106832991636_100011216138 [1,0,1,0,0,0|2,0,0]=4 565 B6R0.3 CC(=O)C(C)O[13CH3] 34a_100000212229_200025704644 [1,0,1,0,0,0|2,0,0]=4 566 B6R0.3 CC(=O)C(C)S[13CH3] 62a_100009814033_200025704644 [1,0,1,0,0,0|2,0,0]=4 567 B6R0.3 CC(=O)C(C)S[13CH3] 62a_200025704644_100009814033 [1,0,1,0,0,0|2,0,0]=4 568 B6R0.3 CC(S[13CH3])C(=O)N 62a_100000702099_200025704644 [1,0,1,0,0,0|2,0,0]=4 569 B6R0.3 CC(S[13CH3])C(=O)N 62a_200025704644_100000702099 [1,0,1,0,0,0|2,0,0]=4 570 B6R0.3 CCC(C)C(=O)C 1458a_100000070787_100000758301 [1,0,1,0,0,0|2,0,0]=4 571 B6R0.3 CCC(C)C(=O)C 1458a_100011192722_200000210301 [1,0,1,0,0,0|2,0,0]=4 572 B6R0.3 CCC(C)C(=O)[13CH3] 1458a_100011192722_200025704644 [1,0,1,0,0,0|2,0,0]=4 573 B6R0.3 CCC(O)C(=O)C 1458a_100011196387_200000210301 [1,0,1,0,0,0|2,0,0]=4 574 B6R0.3 CCC(O)C(=O)[13CH3] 1458a_100011196387_200025704644 [1,0,1,0,0,0|2,0,0]=4 575 B6R0.3 CNC(C)C(=O)C 2230a_106832991635_100009814033 [1,0,1,0,0,0|1,0,0]=3 576 B6R0.3 CNC(C)C(=O)C 7a_106832991635_100000179758 [1,0,1,0,0,0|1,0,0]=3 577 B6R0.3 CNC(C)C(=O)N 2230a_106832991635_100000702099 [1,0,1,0,0,0|1,0,0]=3 578 B6R0.3 CNC(C)C(=O)N 34a_100102657272_100000702099 [1,0,1,0,0,0|1,0,0]=3 579 B6R0.3 CNC(C)C(=O)N 7a_106832991635_100000702099 [1,0,1,0,0,0|1,0,0]=3 580 B6R0.3 CNC(F)C(=O)N 2230a_106832991635_100009813875 [1,0,1,0,0,0|2,0,0]=4 581 B6R0.3 CNC(F)C(=O)N 34a_100102657272_100009813875 [1,0,1,0,0,0|2,0,0]=4 582 B6R0.3 CNC(F)C(=O)N 7a_106832991635_100009813875 [1,0,1,0,0,0|2,0,0]=4 583 B6R0.3 CNC(F)C(=O)[O-] 34a_100102657272_100020610796 [1,0,1,0,0,0|1,0,1]=4 584 B6R0.3 CN[C@@H](C)C(=O)O 269956a_100000743915_200000210301 [1,0,1,0,0,0|0,0,0]=2 585 B6R0.3 CN[C@H](C)C(=O)N 2230a_100000119354_200000210301 [1,0,1,0,0,0|1,0,0]=3 586 B6R0.3 CN[C@H](C)C(=O)N 34a_100000119354_200000210301 [1,0,1,0,0,0|1,0,0]=3 587 B6R0.3 COC(C)C(=O)C 1458a_100000743197_200000210301 [1,0,1,0,0,0|2,0,0]=4 588 B6R0.3 COC(C)C(=O)C 34a_100000212229_200000210301 [1,0,1,0,0,0|2,0,0]=4 589 B6R0.3 COC(C)C(=O)N 34a_100138415774_100000702099 [1,0,1,0,0,0|2,0,0]=4 590 B6R0.3 COC(C)C(=O)[13CH3] 1458a_100000743197_200025704644 [1,0,1,0,0,0|2,0,0]=4 591 B6R0.3 CO[C@@H](C)C(=O)[O-] 7a_217856618621_200000210301 [1,0,1,0,0,0|1,0,1]=4 592 B6R0.3 CO[C@H](C)C(=O)N 34a_100000731257_200000210301 [1,0,1,0,0,0|2,0,0]=4 593 B6R0.3 CO[C@H](C)C(=O)N 7a_100000731257_200000210301 [1,0,1,0,0,0|2,0,0]=4 594 B6R0.3 CSC(C)C(=O)C 1458a_100000149566_200000210301 [1,0,1,0,0,0|2,0,0]=4 595 B6R0.3 CSC(C)C(=O)C 62a_100009814033_200000210301 [1,0,1,0,0,0|2,0,0]=4 596 B6R0.3 CSC(C)C(=O)C 62a_200000210301_100009814033 [1,0,1,0,0,0|2,0,0]=4 597 B6R0.3 CSC(C)C(=O)N 62a_100000702099_200000210301 [1,0,1,0,0,0|2,0,0]=4 598 B6R0.3 CSC(C)C(=O)N 62a_200000210301_100000702099 [1,0,1,0,0,0|2,0,0]=4 599 B6R0.3 CSC(C)C(=O)[13CH3] 1458a_100000149566_200025704644 [1,0,1,0,0,0|2,0,0]=4 600 B6R0.3 CSC(F)C(=O)N 62a_100009813875_200000210301 [1,0,1,0,0,0|2,0,0]=4 601 B6R0.3 CSC(F)C(=O)N 62a_200000210301_100009813875 [1,0,1,0,0,0|2,0,0]=4 602 B6R0.3 CSC(F)C(=O)[O-] 62a_100020610796_200000210301 [1,0,1,0,0,0|1,0,1]=4 603 B6R0.3 CSC(F)C(=O)[O-] 62a_200000210301_100020610796 [1,0,1,0,0,0|1,0,1]=4 604 B6R0.3 C[C@@H](N[13CH3])C(=O)N 2230a_100000119354_200025704644 [1,0,1,0,0,0|1,0,0]=3 605 B6R0.3 C[C@@H](N[13CH3])C(=O)N 34a_100000119354_200025704644 [1,0,1,0,0,0|1,0,0]=3 606 B6R0.3 C[C@@H](O[13CH3])C(=O)N 34a_100000731257_200025704644 [1,0,1,0,0,0|2,0,0]=4 607 B6R0.3 C[C@@H](O[13CH3])C(=O)N 7a_100000731257_200025704644 [1,0,1,0,0,0|2,0,0]=4 608 B6R0.3 C[C@H](N[13CH3])C(=O)O 269956a_100000743915_200025704644 [1,0,1,0,0,0|0,0,0]=2 609 B6R0.3 C[C@H](O[13CH3])C(=O)[O-] 7a_217856618621_200025704644 [1,0,1,0,0,0|1,0,1]=4 610 B6R0.3 [13CH3]SC(F)C(=O)N 62a_100009813875_200025704644 [1,0,1,0,0,0|2,0,0]=4 611 B6R0.3 [13CH3]SC(F)C(=O)N 62a_200025704644_100009813875 [1,0,1,0,0,0|2,0,0]=4 612 B6R0.3 [13CH3]SC(F)C(=O)[O-] 62a_100020610796_200025704644 [1,0,1,0,0,0|1,0,1]=4 613 B6R0.3 [13CH3]SC(F)C(=O)[O-] 62a_200025704644_100020610796 [1,0,1,0,0,0|1,0,1]=4 614 B6R0.9 C=C[C@@H](CO)NC 2230a_100016989147_200000210301 [1,0,1,0,0,0|1,1,0]=4 615 B6R0.9 C=C[C@@H](CO)NC 34a_100016989147_200000210301 [1,0,1,0,0,0|1,1,0]=4 616 B6R0.9 C=C[C@@H](CO)N[13CH3] 2230a_100016989147_200025704644 [1,0,1,0,0,0|1,1,0]=4 617 B6R0.9 C=C[C@@H](CO)N[13CH3] 34a_100016989147_200025704644 [1,0,1,0,0,0|1,1,0]=4 618 B6R0.9 CC[C@@H](CO)NC 2230a_100000709445_200000210301 [1,0,1,0,0,0|1,0,1]=4 619 B6R0.9 CC[C@@H](CO)N[13CH3] 2230a_100000709445_200025704644 [1,0,1,0,0,0|1,0,1]=4 620 B6R0.9 CNC(C=O)C=O 2230a_106832991635_100000736813 [1,0,1,0,0,0|0,1,1]=4 621 B6R0.9 CNC(C=O)C=O 34a_100102657272_100000736813 [1,0,1,0,0,0|0,1,1]=4 622 B6R0.9 CNC(CO)CO 2230a_100000759517_200000210301 [1,0,1,0,0,0|0,1,1]=4 623 B6R0.9 [13CH3]NC(CO)CO 2230a_100000759517_200025704644 [1,0,1,0,0,0|0,1,1]=4 624 B8R0.5 C#CCN(C)CC(=O)O 269956a_100000746989_100000184674 [0,1,1,0,0,0|1,0,1]=4 625 B8R0.5 C#CCN(C)CC(=O)O 269956a_100011236498_200000210301 [0,1,1,0,0,0|1,0,1]=4 626 B8R0.5 C#CCN([13CH3])CC(=O)O 269956a_100011236498_200025704644 [0,1,1,0,0,0|1,0,1]=4 627 B8R0.5 C=C(C)CN(C)CSC 2230a_100000225649_100011218213 [0,1,1,0,0,0|2,0,0]=4 628 B8R0.5 C=C(C)CN(C)CSC 269982a_100000225649_100011218213 [0,1,1,0,0,0|2,0,0]=4 629 B8R0.5 C=CCN(C)CC(=O)O 269956a_100000744315_200000210301 [0,1,1,0,0,0|1,0,1]=4 630 B8R0.5 C=CCN(C)CC(=O)O 269956a_100000746989_100000210623 [0,1,1,0,0,0|1,0,1]=4 631 B8R0.5 C=CCN([13CH3])CC(=O)O 269956a_100000744315_200025704644 [0,1,1,0,0,0|1,0,1]=4 632 B8R0.5 CCCN(C)CC(=O)N 2230a_100000739694_100000210303 [0,1,1,0,0,0|2,0,0]=4 633 B8R0.5 CCCN(C)CC(=O)N 2230a_100000747261_100000747473 [0,1,1,0,0,0|2,0,0]=4 634 B8R0.5 CCCN(C)CC(=O)N 269982a_100000747261_100000187820 [0,1,1,0,0,0|2,0,0]=4 635 B8R0.5 CCCN(C)CC(=O)O 269956a_100000746989_100000210207 [0,1,1,0,0,0|1,0,0]=3 636 B8R0.5 CCCN(C)CC(=O)[O-] 269982a_100000747261_100020667443 [0,1,1,0,0,0|1,0,1]=4 637 B8R0.5 CCSC(C)CC(=O)C 1458a_200011311441_200000210301 [0,1,1,0,0,0|2,0,0]=4 638 B8R0.5 CCSC(C)CC(=O)[13CH3] 1458a_200011311441_200025704644 [0,1,1,0,0,0|2,0,0]=4 639 B8R0.5 CN(CC#N)CC(=O)O 269956a_100000746989_100011215382 [0,1,1,0,0,0|2,0,0]=4 640 B8R0.5 CN(CC=O)CC(=O)O 269956a_100000746989_200015260668 [0,1,1,0,0,0|2,0,0]=4 641 B8R0.5 CN(CCF)CC(=O)O 269956a_100000746989_100011217306 [0,1,1,0,0,0|2,0,0]=4 642 B8R0.5 CN(CCO)CC(=O)O 269956a_100000746989_100000211926 [0,1,1,0,0,0|2,0,0]=4 643 B8R0.5 CN(CCO)CC(=O)O 269956a_100000747938_200000210301 [0,1,1,0,0,0|2,0,0]=4 644 B8R0.5 CNCC(O)CC(=O)O 269956a_100011218706_200000210301 [0,1,1,0,0,0|2,0,0]=4 645 B8R0.5 COCN(C)CC(=O)N 2230a_100000739694_100000766300 [0,1,1,0,0,0|1,1,0]=4 646 B8R0.5 COCN(C)CC(=O)O 269956a_100000746989_100000766300 [0,1,1,0,0,0|0,1,0]=3 647 B8R0.5 CSCC(=O)CC(=O)N 1458a_100000184570_100000187820 [0,1,1,0,0,0|2,0,0]=4 648 B8R0.5 CSCC(=O)CC(=O)[O-] 1458a_100000184570_100020667443 [0,1,1,0,0,0|1,0,1]=4 649 B8R0.5 CSCN(C)CC(=O)N 2230a_100000739694_100011218213 [0,1,1,0,0,0|1,0,0]=3 650 B8R0.5 CSCN(C)CC(=O)O 269956a_100000746989_100011218213 [0,1,1,0,0,0|0,0,0]=2 651 B8R0.5 CSCN(C)CC(C)O 2230a_100000227577_100011218213 [0,1,1,0,0,0|1,0,1]=4 652 B8R0.5 CSCN(C)CC(C)O 269982a_100000227577_100011218213 [0,1,1,0,0,0|1,0,1]=4 653 B8R0.5 [13CH3]N(CCO)CC(=O)O 269956a_100000747938_200025704644 [0,1,1,0,0,0|2,0,0]=4 654 B8R0.5 [13CH3]NCC(O)CC(=O)O 269956a_100011218706_200025704644 [0,1,1,0,0,0|2,0,0]=4 655 B8R0.6 C#CC(=O)CCSCC 1458a_100000211873_100000757381 [0,1,1,0,0,0|2,0,0]=4 656 B8R0.6 C#CCNCC(=O)OC 34a_100000212058_100000747449 [0,1,1,0,0,0|1,0,1]=4 657 B8R0.6 C=CC(=O)CCSCC 1458a_100000185746_100000757381 [0,1,1,0,0,0|2,0,0]=4 658 B8R0.6 C=CCNCC(=O)OC 2230a_100020586998_100000747449 [0,1,1,0,0,0|1,0,1]=4 659 B8R0.6 CCC(=O)CCCSC 1458a_100000173376_100000210202 [0,1,1,0,0,0|2,0,0]=4 660 B8R0.6 CCC(=O)COCSC 34a_100000725409_100011218213 [0,1,1,0,0,0|2,0,0]=4 661 B8R0.6 CCC(=O)CSCSC 62a_100000747405_100011218213 [0,1,1,0,0,0|2,0,0]=4 662 B8R0.6 CCC(=O)CSCSC 62a_100011218213_100000747405 [0,1,1,0,0,0|2,0,0]=4 663 B8R0.6 CCC(O)CNCSC 2230a_100011218483_100011218213 [0,1,1,0,0,0|1,0,1]=4 664 B8R0.6 CCCCCC(=O)CO 1458a_100000210174_100000210326 [0,1,1,0,0,0|2,0,0]=4 665 B8R0.6 CCCNCC(=O)NC 2230a_100000693194_100000210303 [0,1,1,0,0,0|2,0,0]=4 666 B8R0.6 CCCNNC(=O)CO 22a_100000740057_100000210174 [0,1,1,0,0,0|2,0,0]=4 667 B8R0.6 CCCOCC(=O)OC 34a_100000210258_100000747449 [0,1,1,0,0,0|2,0,0]=4 668 B8R0.6 CCCSCC(=O)OC 62a_100000210303_100000747449 [0,1,1,0,0,0|2,0,0]=4 669 B8R0.6 CCCSCC(=O)OC 62a_100000747449_100000210303 [0,1,1,0,0,0|2,0,0]=4 670 B8R0.6 CCNCCC(=O)OC 2230a_100015525214_100000204255 [0,1,1,0,0,0|2,0,0]=4 671 B8R0.6 CCOCCC(=O)CO 1458a_100000210174_100011215890 [0,1,1,0,0,0|1,1,0]=4 672 B8R0.6 CCOCCC(=O)OC 34a_100121572206_100000742370 [0,1,1,0,0,0|1,1,0]=4 673 B8R0.6 CCSCCC(=O)CC 1458a_100000210414_100000757381 [0,1,1,0,0,0|2,0,0]=4 674 B8R0.6 CCSCCC(=O)CC 1458a_100000230768_100000210202 [0,1,1,0,0,0|2,0,0]=4 675 B8R0.6 CCSCCC(=O)CF 1458a_100000230768_100015361967 [0,1,1,0,0,0|2,0,0]=4 676 B8R0.6 CCSCCC(=O)CO 1458a_100000210174_100000757381 [0,1,1,0,0,0|1,0,0]=3 677 B8R0.6 CCSCCC(=O)NC 11a_106832991635_100000230768 [0,1,1,0,0,0|2,0,0]=4 678 B8R0.6 CCSCCC(=O)NC 1626a_100102657272_100000230768 [0,1,1,0,0,0|2,0,0]=4 679 B8R0.6 CCSCCC(=O)NC 240690a_100102657272_100000230768 [0,1,1,0,0,0|2,0,0]=4 680 B8R0.6 CCSCCC(=O)NC 527a_100102657272_100000230768 [0,1,1,0,0,0|2,0,0]=4 681 B8R0.6 CCSCCC(=O)NC 62a_100000210202_100000737683 [0,1,1,0,0,0|2,0,0]=4 682 B8R0.6 CCSCCC(=O)NC 62a_100000737683_100000210202 [0,1,1,0,0,0|2,0,0]=4 683 B8R0.6 CCSCCC(=O)OC 62a_100000204255_100000210202 [0,1,1,0,0,0|1,0,0]=3 684 B8R0.6 CCSCCC(=O)OC 62a_100000210202_100000204255 [0,1,1,0,0,0|1,0,0]=3 685 B8R0.6 CCSCOC(=O)OC 62a_100000210202_100000139417 [0,1,1,0,0,0|2,0,0]=4 686 B8R0.6 CNC(=O)CCCSC 11a_106832991635_100000173376 [0,1,1,0,0,0|2,0,0]=4 687 B8R0.6 CNC(=O)CCCSC 1626a_100102657272_100000173376 [0,1,1,0,0,0|2,0,0]=4 688 B8R0.6 CNC(=O)CCCSC 240690a_100102657272_100000173376 [0,1,1,0,0,0|2,0,0]=4 689 B8R0.6 CNC(=O)CCCSC 527a_100102657272_100000173376 [0,1,1,0,0,0|2,0,0]=4 690 B8R0.6 CNC(=O)CCCSC 62a_100000741757_200000210301 [0,1,1,0,0,0|2,0,0]=4 691 B8R0.6 CNC(=O)CCCSC 62a_200000210301_100000741757 [0,1,1,0,0,0|2,0,0]=4 692 B8R0.6 CNC(=O)CCCS[13CH3] 62a_100000741757_200025704644 [0,1,1,0,0,0|2,0,0]=4 693 B8R0.6 CNC(=O)CCCS[13CH3] 62a_200025704644_100000741757 [0,1,1,0,0,0|2,0,0]=4 694 B8R0.6 CNC(=O)CCSCF 62a_100000737683_100015361967 [0,1,1,0,0,0|2,0,0]=4 695 B8R0.6 CNC(=O)CCSCF 62a_100015361967_100000737683 [0,1,1,0,0,0|2,0,0]=4 696 B8R0.6 CNC(=O)CNCOC 2230a_100000693194_100000766300 [0,1,1,0,0,0|1,1,0]=4 697 B8R0.6 CNC(=O)CNCSC 2230a_100000693194_100011218213 [0,1,1,0,0,0|1,0,0]=3 698 B8R0.6 CNC(=O)COCSC 34a_100000750040_100011218213 [0,1,1,0,0,0|2,0,0]=4 699 B8R0.6 CNC(=O)CSCSC 62a_100000183359_100011218213 [0,1,1,0,0,0|2,0,0]=4 700 B8R0.6 CNC(=O)CSCSC 62a_100011218213_100000183359 [0,1,1,0,0,0|2,0,0]=4 701 B8R0.6 CNCCCC(=O)OC 2230a_106832991635_100011218270 [0,1,1,0,0,0|2,0,0]=4 702 B8R0.6 CNCCCC(=O)OC 34a_100102657272_100000742333 [0,1,1,0,0,0|2,0,0]=4 703 B8R0.6 CNCCCC(=O)OC 7a_106832991635_100011218270 [0,1,1,0,0,0|2,0,0]=4 704 B8R0.6 COC(=O)/C=C/CSC 62a_100000742655_200000210301 [0,1,1,0,0,0|1,0,1]=4 705 B8R0.6 COC(=O)/C=C/CSC 62a_200000210301_100000742655 [0,1,1,0,0,0|1,0,1]=4 706 B8R0.6 COC(=O)/C=C/CS[13CH3] 62a_100000742655_200025704644 [0,1,1,0,0,0|1,0,1]=4 707 B8R0.6 COC(=O)/C=C/CS[13CH3] 62a_200025704644_100000742655 [0,1,1,0,0,0|1,0,1]=4 708 B8R0.6 COC(=O)CCCSC 62a_100011218270_200000210301 [0,1,1,0,0,0|1,0,0]=3 709 B8R0.6 COC(=O)CCCSC 62a_200000210301_100011218270 [0,1,1,0,0,0|1,0,0]=3 710 B8R0.6 COC(=O)CCCS[13CH3] 62a_100011218270_200025704644 [0,1,1,0,0,0|1,0,0]=3 711 B8R0.6 COC(=O)CCCS[13CH3] 62a_200025704644_100011218270 [0,1,1,0,0,0|1,0,0]=3 712 B8R0.6 COC(=O)CCSCF 62a_100000204255_100015361967 [0,1,1,0,0,0|1,0,0]=3 713 B8R0.6 COC(=O)CCSCF 62a_100015361967_100000204255 [0,1,1,0,0,0|1,0,0]=3 714 B8R0.6 COC(=O)CNCCF 34a_100000724931_100000747449 [0,1,1,0,0,0|2,0,0]=4 715 B8R0.6 COC(=O)CNCCO 2230a_100016997473_100000747449 [0,1,1,0,0,0|2,0,0]=4 716 B8R0.6 COC(=O)CNCCO 34a_100016990907_100000747449 [0,1,1,0,0,0|2,0,0]=4 717 B8R0.6 COC(=O)COCCN 34a_100000210304_100000747449 [0,1,1,0,0,0|2,0,0]=4 718 B8R0.6 COC(=O)CSCSC 62a_100000747449_100011218213 [0,1,1,0,0,0|1,0,0]=3 719 B8R0.6 COC(=O)CSCSC 62a_100011218213_100000747449 [0,1,1,0,0,0|1,0,0]=3 720 B8R0.6 COC(=O)OCSCF 62a_100015361967_100000139417 [0,1,1,0,0,0|2,0,0]=4 721 B8R0.6 COCCCC(=O)CO 1458a_100000210174_100000740836 [0,1,1,0,0,0|1,1,0]=4 722 B8R0.6 COCCCC(=O)OC 34a_100138415774_100000742333 [0,1,1,0,0,0|1,1,0]=4 723 B8R0.6 COCSCC(=O)OC 62a_100000747449_100000766300 [0,1,1,0,0,0|1,1,0]=4 724 B8R0.6 COCSCC(=O)OC 62a_100000766300_100000747449 [0,1,1,0,0,0|1,1,0]=4 725 B8R0.6 CO[C@H](C)CNCSC 2230a_100020591295_100011218213 [0,1,1,0,0,0|1,0,1]=4 726 B8R0.6 CSCCCC(=O)CF 1458a_100000173376_100015361967 [0,1,1,0,0,0|2,0,0]=4 727 B8R0.6 CSCCNC(=O)CO 240690a_100020590264_100000210174 [0,1,1,0,0,0|2,0,0]=4 728 B8R0.6 CSCCNC(=O)CO 527a_100020590264_100000210174 [0,1,1,0,0,0|2,0,0]=4 729 B8R0.6 CSCNCC(C)CO 34a_100000744482_100011218213 [0,1,1,0,0,0|1,0,1]=4 730 B8R0.6 CSCNC[C@@H](F)CO 34a_100015665980_100011218213 [0,1,1,0,0,0|1,0,1]=4 731 B8R0.6 CSCNC[C@H](O)CO 2230a_100020644852_100011218213 [0,1,1,0,0,0|0,0,2]=4 732 B8R0.6 O=C(CO)CCCCF 1458a_100000210174_100000729493 [0,1,1,0,0,0|2,0,0]=4 733 B8R0.6 O=C(CO)CCCCO 1458a_100000210174_100000210776 [0,1,1,0,0,0|2,0,0]=4 734 B8R0.7 C#CCCNCC(=O)O 269956a_100016091260_100000688953 [0,1,1,0,0,0|1,0,1]=4 735 B8R0.7 C#CCNOCC(=O)O 269956a_100000106656_100000184674 [0,1,1,0,0,0|1,0,1]=4 736 B8R0.7 C#CCSCCC(=O)C 62a_100000038162_100000053229 [0,1,1,0,0,0|2,0,0]=4 737 B8R0.7 C#CCSCCC(=O)N 62a_100000038162_100000744528 [0,1,1,0,0,0|2,0,0]=4 738 B8R0.7 C/C=C/CNCC(=O)O 269956a_100016091260_100102629194 [0,1,1,0,0,0|1,0,0]=3 739 B8R0.7 C=C(C)CNCCSC 2230a_100020590264_100000748629 [0,1,1,0,0,0|2,0,0]=4 740 B8R0.7 C=C(F)CNCCSC 2230a_100020590264_100009893438 [0,1,1,0,0,0|2,0,0]=4 741 B8R0.7 C=CCCNCC(=O)O 269956a_100016091260_100000754431 [0,1,1,0,0,0|1,0,1]=4 742 B8R0.7 C=CCNOCC(=O)O 269956a_100000106656_100000210623 [0,1,1,0,0,0|1,0,1]=4 743 B8R0.7 C=CCSCCC(=O)C 62a_100000053229_100000210623 [0,1,1,0,0,0|2,0,0]=4 744 B8R0.7 C=CCSCCC(=O)C 62a_100000210623_100000053229 [0,1,1,0,0,0|2,0,0]=4 745 B8R0.7 C=CCSCCC(=O)N 62a_100000210623_100000744528 [0,1,1,0,0,0|2,0,0]=4 746 B8R0.7 C=CCSCCC(=O)N 62a_100000744528_100000210623 [0,1,1,0,0,0|2,0,0]=4 747 B8R0.7 CC#CCNCC(=O)N 2230a_100000685387_100000747473 [0,1,1,0,0,0|2,0,0]=4 748 B8R0.7 CC#CCNCC(=O)N 2230a_100000711301_100000748600 [0,1,1,0,0,0|2,0,0]=4 749 B8R0.7 CC#CCNCC(=O)N 34a_100000685387_100000187820 [0,1,1,0,0,0|2,0,0]=4 750 B8R0.7 CC#CCNCC(=O)O 269956a_100016091260_100000748600 [0,1,1,0,0,0|1,0,0]=3 751 B8R0.7 CC#CCNCC(=O)[O-] 34a_100000685387_100020667443 [0,1,1,0,0,0|1,0,1]=4 752 B8R0.7 CC(=O)CCCCS[13CH3] 62a_100000735457_200025704644 [0,1,1,0,0,0|2,0,0]=4 753 B8R0.7 CC(=O)CCCCS[13CH3] 62a_200025704644_100000735457 [0,1,1,0,0,0|2,0,0]=4 754 B8R0.7 CC(=O)CCCSCF 62a_100011215641_100015361967 [0,1,1,0,0,0|2,0,0]=4 755 B8R0.7 CC(=O)CCCSCF 62a_100015361967_100011215641 [0,1,1,0,0,0|2,0,0]=4 756 B8R0.7 CC(=O)CCSCC#N 62a_100000053229_100011215382 [0,1,1,0,0,0|1,0,1]=4 757 B8R0.7 CC(=O)CCSCC#N 62a_100011215382_100000053229 [0,1,1,0,0,0|1,0,1]=4 758 B8R0.7 CC(=O)CCSCC=O 62a_100000053229_200015260668 [0,1,1,0,0,0|2,0,0]=4 759 B8R0.7 CC(=O)CCSCC=O 62a_200015260668_100000053229 [0,1,1,0,0,0|2,0,0]=4 760 B8R0.7 CC(=O)CCSCCF 62a_100000053229_100011217306 [0,1,1,0,0,0|2,0,0]=4 761 B8R0.7 CC(=O)CCSCCF 62a_100011217306_100000053229 [0,1,1,0,0,0|2,0,0]=4 762 B8R0.7 CC(=O)CCSCCO 62a_100000053229_100000211926 [0,1,1,0,0,0|2,0,0]=4 763 B8R0.7 CC(=O)CCSCCO 62a_100000211926_100000053229 [0,1,1,0,0,0|2,0,0]=4 764 B8R0.7 CC(=O)NCCSCF 62a_100000189650_100015361967 [0,1,1,0,0,0|2,0,0]=4 765 B8R0.7 CC(=O)NCCSCF 62a_100015361967_100000189650 [0,1,1,0,0,0|2,0,0]=4 766 B8R0.7 CC(=O)OCCCS[13CH3] 62a_100000042594_200025704644 [0,1,1,0,0,0|2,0,0]=4 767 B8R0.7 CC(=O)OCCCS[13CH3] 62a_200025704644_100000042594 [0,1,1,0,0,0|2,0,0]=4 768 B8R0.7 CC(=O)OCCSCF 62a_100009814007_100015361967 [0,1,1,0,0,0|2,0,0]=4 769 B8R0.7 CC(=O)OCCSCF 62a_100015361967_100009814007 [0,1,1,0,0,0|2,0,0]=4 770 B8R0.7 CC(=O)SCCCS[13CH3] 62a_100000038929_200025704644 [0,1,1,0,0,0|2,0,0]=4 771 B8R0.7 CC(=O)SCCCS[13CH3] 62a_200025704644_100000038929 [0,1,1,0,0,0|2,0,0]=4 772 B8R0.7 CC=CCNCC(=O)N 2230a_100000711301_100000070051 [0,1,1,0,0,0|2,0,0]=4 773 B8R0.7 CCCCNCC(=O)N 2230a_100000102301_100000747473 [0,1,1,0,0,0|2,0,0]=4 774 B8R0.7 CCCCNCC(=O)N 2230a_100000711301_100000210211 [0,1,1,0,0,0|2,0,0]=4 775 B8R0.7 CCCCNCC(=O)N 7a_106832991798_100000187820 [0,1,1,0,0,0|2,0,0]=4 776 B8R0.7 CCCCNCC(=O)O 269956a_100016091260_100000210211 [0,1,1,0,0,0|1,0,0]=3 777 B8R0.7 CCCNOCC(=O)O 269956a_100000106656_100000210207 [0,1,1,0,0,0|1,0,0]=3 778 B8R0.7 CCCSCCC(=O)C 62a_100000053229_100000210303 [0,1,1,0,0,0|2,0,0]=4 779 B8R0.7 CCCSCCC(=O)C 62a_100000210303_100000053229 [0,1,1,0,0,0|2,0,0]=4 780 B8R0.7 CCCSCCC(=O)N 62a_100000210303_100000744528 [0,1,1,0,0,0|2,0,0]=4 781 B8R0.7 CCCSCCC(=O)N 62a_100000744528_100000210303 [0,1,1,0,0,0|2,0,0]=4 782 B8R0.7 CCOCNCC(=O)O 269956a_100016091260_100000739092 [0,1,1,0,0,0|0,1,0]=3 783 B8R0.7 CCSCCCC(=O)C 62a_100000210202_100011215641 [0,1,1,0,0,0|2,0,0]=4 784 B8R0.7 CCSCCCC(=O)C 62a_100011215641_100000210202 [0,1,1,0,0,0|2,0,0]=4 785 B8R0.7 CCSCCCC(=O)N 62a_100000210202_100102525003 [0,1,1,0,0,0|2,0,0]=4 786 B8R0.7 CCSCCCC(=O)N 62a_100102525003_100000210202 [0,1,1,0,0,0|2,0,0]=4 787 B8R0.7 CCSCCNC(=O)C 11a_100000106463_100015343762 [0,1,1,0,0,0|2,0,0]=4 788 B8R0.7 CCSCCNC(=O)C 1626a_100000106463_100015343762 [0,1,1,0,0,0|2,0,0]=4 789 B8R0.7 CCSCCNC(=O)C 240690a_100000106463_100015343762 [0,1,1,0,0,0|2,0,0]=4 790 B8R0.7 CCSCCNC(=O)C 527a_100000106463_100103153847 [0,1,1,0,0,0|2,0,0]=4 791 B8R0.7 CCSCCNC(=O)C 62a_100000189650_100000210202 [0,1,1,0,0,0|2,0,0]=4 792 B8R0.7 CCSCCNC(=O)C 62a_100000210202_100000189650 [0,1,1,0,0,0|2,0,0]=4 793 B8R0.7 CCSCCNC(=O)N 62a_100000210202_200000034859 [0,1,1,0,0,0|2,0,0]=4 794 B8R0.7 CCSCCNC(=O)N 62a_200000034859_100000210202 [0,1,1,0,0,0|2,0,0]=4 795 B8R0.7 CCSCCOC(=O)C 62a_100000210202_100009814007 [0,1,1,0,0,0|2,0,0]=4 796 B8R0.7 CCSCCOC(=O)C 62a_100009814007_100000210202 [0,1,1,0,0,0|2,0,0]=4 797 B8R0.7 CCSCCOC(=O)N 62a_100000210202_200011214921 [0,1,1,0,0,0|2,0,0]=4 798 B8R0.7 CCSCCOC(=O)N 62a_200011214921_100000210202 [0,1,1,0,0,0|2,0,0]=4 799 B8R0.7 CNCCCCC(=O)C 34a_100102657272_100009817362 [0,1,1,0,0,0|2,0,0]=4 800 B8R0.7 CNCCCCC(=O)C 7a_106832991635_100000735457 [0,1,1,0,0,0|2,0,0]=4 801 B8R0.7 CNCCCCC(=O)N 34a_100000696515_200000210301 [0,1,1,0,0,0|2,0,0]=4 802 B8R0.7 CNCCOCC(=O)O 269956a_100000700818_200000210301 [0,1,1,0,0,0|2,0,0]=4 803 B8R0.7 COCCNCC(=O)N 2230a_100000209980_100000747473 [0,1,1,0,0,0|1,1,0]=4 804 B8R0.7 COCCNCC(=O)N 2230a_100000711301_100011201679 [0,1,1,0,0,0|1,1,0]=4 805 B8R0.7 COCCNCC(=O)O 269956a_100016091260_100000233755 [0,1,1,0,0,0|0,1,0]=3 806 B8R0.7 COCNOCC(=O)O 269956a_100000106656_100000766300 [0,1,1,0,0,0|0,1,0]=3 807 B8R0.7 COCSCCC(=O)C 62a_100000053229_100000766300 [0,1,1,0,0,0|2,0,0]=4 808 B8R0.7 COCSCCC(=O)C 62a_100000766300_100000053229 [0,1,1,0,0,0|2,0,0]=4 809 B8R0.7 COCSCCC(=O)N 62a_100000744528_100000766300 [0,1,1,0,0,0|2,0,0]=4 810 B8R0.7 COCSCCC(=O)N 62a_100000766300_100000744528 [0,1,1,0,0,0|2,0,0]=4 811 B8R0.7 CSCCCCC(=O)C 62a_100000735457_200000210301 [0,1,1,0,0,0|2,0,0]=4 812 B8R0.7 CSCCCCC(=O)C 62a_200000210301_100000735457 [0,1,1,0,0,0|2,0,0]=4 813 B8R0.7 CSCCCNC(=O)C 11a_100000749238_100015343762 [0,1,1,0,0,0|2,0,0]=4 814 B8R0.7 CSCCCNC(=O)C 1626a_100000749238_100015343762 [0,1,1,0,0,0|2,0,0]=4 815 B8R0.7 CSCCCNC(=O)C 240690a_100000749238_100015343762 [0,1,1,0,0,0|2,0,0]=4 816 B8R0.7 CSCCCNC(=O)C 527a_100000749238_100103153847 [0,1,1,0,0,0|2,0,0]=4 817 B8R0.7 CSCCCOC(=O)C 62a_100000042594_200000210301 [0,1,1,0,0,0|2,0,0]=4 818 B8R0.7 CSCCCOC(=O)C 62a_200000210301_100000042594 [0,1,1,0,0,0|2,0,0]=4 819 B8R0.7 CSCCCSC(=O)C 62a_100000038929_200000210301 [0,1,1,0,0,0|2,0,0]=4 820 B8R0.7 CSCCCSC(=O)C 62a_200000210301_100000038929 [0,1,1,0,0,0|2,0,0]=4 821 B8R0.7 CSCCNCC(=O)N 2230a_100000711301_100000751147 [0,1,1,0,0,0|1,0,0]=3 822 B8R0.7 CSCCNCC(=O)N 2230a_100020590264_100000747473 [0,1,1,0,0,0|1,0,0]=3 823 B8R0.7 CSCCNCC(=O)O 269956a_100016091260_100000212216 [0,1,1,0,0,0|0,0,0]=2 824 B8R0.7 CSCCNCC(C)O 2230a_100000210904_100000751147 [0,1,1,0,0,0|1,0,1]=4 825 B8R0.7 CSCCNCC(C)O 2230a_100020590264_100011218427 [0,1,1,0,0,0|1,0,1]=4 826 B8R0.7 CSCCNCC(C)O 34a_100000210904_100000212216 [0,1,1,0,0,0|1,0,1]=4 827 B8R0.7 CSCCNC[C@@H](C)O 2230a_100020590264_100009817552 [0,1,1,0,0,0|1,0,1]=4 828 B8R0.7 CSCCOCC(=O)C 34a_100000211253_100000212216 [0,1,1,0,0,0|2,0,0]=4 829 B8R0.7 CSCCOCC(=O)N 34a_100000230434_100000187820 [0,1,1,0,0,0|2,0,0]=4 830 B8R0.7 CSCCOCC(=O)N 62a_100000076697_200000210301 [0,1,1,0,0,0|2,0,0]=4 831 B8R0.7 CSCCOCC(=O)N 62a_200000210301_100000076697 [0,1,1,0,0,0|2,0,0]=4 832 B8R0.7 CSCCOCC(=O)N 7a_100000230434_100000187820 [0,1,1,0,0,0|2,0,0]=4 833 B8R0.7 CSCCOCC(=O)[O-] 34a_100000230434_100020667443 [0,1,1,0,0,0|1,0,1]=4 834 B8R0.7 CSCCSCC(=O)N 62a_100000212216_100000747473 [0,1,1,0,0,0|2,0,0]=4 835 B8R0.7 CSCCSCC(=O)N 62a_100000747473_100000751147 [0,1,1,0,0,0|2,0,0]=4 836 B8R0.7 CSCCSCC(=O)[O-] 62a_100000212216_100020667443 [0,1,1,0,0,0|1,0,1]=4 837 B8R0.7 CSCCSCC(=O)[O-] 62a_100020667443_100000751147 [0,1,1,0,0,0|1,0,1]=4 838 B8R0.7 CSCNCC=C(C)C 34a_100000718196_100011218213 [0,1,1,0,0,0|2,0,0]=4 839 B8R0.7 CSCNCCC(C)O 2230a_200000755665_100011218213 [0,1,1,0,0,0|1,0,1]=4 840 B8R0.7 CSCNOCC(=O)O 269956a_100000106656_100011218213 [0,1,1,0,0,0|0,0,0]=2 841 B8R0.7 CSCOCCC(=O)C 34a_100000759926_100011218213 [0,1,1,0,0,0|2,0,0]=4 842 B8R0.7 CSCOCCC(=O)N 34a_100000757172_100011218213 [0,1,1,0,0,0|2,0,0]=4 843 B8R0.7 CSCSCCC(=O)C 62a_100000053229_100011218213 [0,1,1,0,0,0|2,0,0]=4 844 B8R0.7 CSCSCCC(=O)C 62a_100011218213_100000053229 [0,1,1,0,0,0|2,0,0]=4 845 B8R0.7 CSCSCCC(=O)N 62a_100000744528_100011218213 [0,1,1,0,0,0|2,0,0]=4 846 B8R0.7 CSCSCCC(=O)N 62a_100011218213_100000744528 [0,1,1,0,0,0|2,0,0]=4 847 B8R0.7 CSCSCOC(=O)C 62a_100000076356_100011218213 [0,1,1,0,0,0|2,0,0]=4 848 B8R0.7 CSCSCOC(=O)C 62a_100011218213_100000076356 [0,1,1,0,0,0|2,0,0]=4 849 B8R0.7 N#CCCNCC(=O)O 269956a_100016091260_100011215226 [0,1,1,0,0,0|1,0,1]=4 850 B8R0.7 N#CCNOCC(=O)O 269956a_100000106656_100011215382 [0,1,1,0,0,0|2,0,0]=4 851 B8R0.7 N#CCSCCC(=O)N 62a_100000744528_100011215382 [0,1,1,0,0,0|1,0,1]=4 852 B8R0.7 N#CCSCCC(=O)N 62a_100011215382_100000744528 [0,1,1,0,0,0|1,0,1]=4 853 B8R0.7 N#CSCNCC(=O)O 269956a_100016091260_100000211825 [0,1,1,0,0,0|0,0,1]=3 854 B8R0.7 NC(=O)CCCSCF 62a_100015361967_100102525003 [0,1,1,0,0,0|2,0,0]=4 855 B8R0.7 NC(=O)CCCSCF 62a_100102525003_100015361967 [0,1,1,0,0,0|2,0,0]=4 856 B8R0.7 NC(=O)CCSCC=O 62a_100000744528_200015260668 [0,1,1,0,0,0|2,0,0]=4 857 B8R0.7 NC(=O)CCSCC=O 62a_200015260668_100000744528 [0,1,1,0,0,0|2,0,0]=4 858 B8R0.7 NC(=O)CCSCCF 62a_100000744528_100011217306 [0,1,1,0,0,0|2,0,0]=4 859 B8R0.7 NC(=O)CCSCCF 62a_100011217306_100000744528 [0,1,1,0,0,0|2,0,0]=4 860 B8R0.7 NC(=O)CCSCCO 62a_100000211926_100000744528 [0,1,1,0,0,0|2,0,0]=4 861 B8R0.7 NC(=O)CCSCCO 62a_100000744528_100000211926 [0,1,1,0,0,0|2,0,0]=4 862 B8R0.7 NC(=O)CNCCCF 2230a_100000711301_100011934791 [0,1,1,0,0,0|2,0,0]=4 863 B8R0.7 NC(=O)CNCCCF 2230a_100015189416_100000747473 [0,1,1,0,0,0|2,0,0]=4 864 B8R0.7 NC(=O)CNCCCF 34a_100015189416_100000187820 [0,1,1,0,0,0|2,0,0]=4 865 B8R0.7 NC(=O)CNCCCO 2230a_100000711301_100000230001 [0,1,1,0,0,0|2,0,0]=4 866 B8R0.7 NC(=O)NCCSCF 62a_100015361967_200000034859 [0,1,1,0,0,0|2,0,0]=4 867 B8R0.7 NC(=O)NCCSCF 62a_200000034859_100015361967 [0,1,1,0,0,0|2,0,0]=4 868 B8R0.7 NC(=O)OCCSCF 62a_100015361967_200011214921 [0,1,1,0,0,0|2,0,0]=4 869 B8R0.7 NC(=O)OCCSCF 62a_200011214921_100015361967 [0,1,1,0,0,0|2,0,0]=4 870 B8R0.7 NCCCOCC(=O)N 34a_100000182051_100000187820 [0,1,1,0,0,0|2,0,0]=4 871 B8R0.7 NCCCOCC(=O)[O-] 34a_100000182051_100020667443 [0,1,1,0,0,0|1,0,1]=4 872 B8R0.7 NCCOCCC(=O)N 34a_100000210304_100000731001 [0,1,1,0,0,0|1,1,0]=4 873 B8R0.7 O=C(O)CNCCCF 269956a_100016091260_100011934791 [0,1,1,0,0,0|1,0,0]=3 874 B8R0.7 O=C(O)CNCCCO 269956a_100016091260_100011215043 [0,1,1,0,0,0|1,0,0]=3 875 B8R0.7 O=C(O)CONCCF 269956a_100000106656_100011217306 [0,1,1,0,0,0|2,0,0]=4 876 B8R0.7 O=C(O)CONCCO 269956a_100000106656_100000211926 [0,1,1,0,0,0|2,0,0]=4 877 B8R0.7 O=C([O-])CNCCCF 34a_100015189416_100020667443 [0,1,1,0,0,0|1,0,1]=4 878 B8R0.7 O=CCNOCC(=O)O 269956a_100000106656_200015260668 [0,1,1,0,0,0|2,0,0]=4 879 B8R0.7 [13CH3]NCCCCC(=O)N 34a_100000696515_200025704644 [0,1,1,0,0,0|2,0,0]=4 880 B8R0.7 [13CH3]NCCOCC(=O)O 269956a_100000700818_200025704644 [0,1,1,0,0,0|2,0,0]=4 881 B8R0.7 [13CH3]SCCOCC(=O)N 62a_100000076697_200025704644 [0,1,1,0,0,0|2,0,0]=4 882 B8R0.7 [13CH3]SCCOCC(=O)N 62a_200025704644_100000076697 [0,1,1,0,0,0|2,0,0]=4 883 B8R0.8 C#CCN[C@@H](C)C(=O)O 269956a_100000743915_100000184674 [0,1,1,0,0,0|1,0,1]=4 884 B8R0.8 C=CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210623 [0,1,1,0,0,0|1,0,1]=4 885 B8R0.8 CC(CNCF)C(=O)O 269956a_100000749485_100015361967 [0,1,1,0,0,0|2,0,0]=4 886 B8R0.8 CCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210207 [0,1,1,0,0,0|1,0,0]=3 887 B8R0.8 CCCN[C@H](C)C(=O)N 2230a_100000119354_100000210303 [0,1,1,0,0,0|2,0,0]=4 888 B8R0.8 CCCN[C@H](C)C(=O)N 34a_100000119354_100000210303 [0,1,1,0,0,0|2,0,0]=4 889 B8R0.8 CCNCC(C)C(=O)O 269956a_100000749485_100000210202 [0,1,1,0,0,0|2,0,0]=4 890 B8R0.8 CCNCC(F)C(=O)O 269956a_100000084737_100000210202 [0,1,1,0,0,0|2,0,0]=4 891 B8R0.8 COCN[C@@H](C)C(=O)O 269956a_100000743915_100000766300 [0,1,1,0,0,0|0,1,0]=3 892 B8R0.8 COCN[C@H](C)C(=O)N 2230a_100000119354_100000766300 [0,1,1,0,0,0|1,1,0]=4 893 B8R0.8 CSCCC(O)C(=O)C 1458a_100000685904_200000210301 [0,1,1,0,0,0|2,0,0]=4 894 B8R0.8 CSCCC(O)C(=O)[13CH3] 1458a_100000685904_200025704644 [0,1,1,0,0,0|2,0,0]=4 895 B8R0.8 CSCN[C@@H](C)C(=O)O 269956a_100000743915_100011218213 [0,1,1,0,0,0|0,0,0]=2 896 B8R0.8 CSCN[C@H](C)C(=O)N 2230a_100000119354_100011218213 [0,1,1,0,0,0|1,0,0]=3 897 B8R0.8 CSCN[C@H](C)C(=O)N 34a_100000119354_100011218213 [0,1,1,0,0,0|1,0,0]=3 898 B8R0.8 CSCOC(C)C(=O)C 34a_100000212229_100011218213 [0,1,1,0,0,0|2,0,0]=4 899 B8R0.8 CSCO[C@H](C)C(=O)N 34a_100000731257_100011218213 [0,1,1,0,0,0|2,0,0]=4 900 B8R0.8 CSCSC(C)C(=O)C 62a_100009814033_100011218213 [0,1,1,0,0,0|2,0,0]=4 901 B8R0.8 CSCSC(C)C(=O)C 62a_100011218213_100009814033 [0,1,1,0,0,0|2,0,0]=4 902 B8R0.8 CSCSC(C)C(=O)N 62a_100000702099_100011218213 [0,1,1,0,0,0|2,0,0]=4 903 B8R0.8 CSCSC(C)C(=O)N 62a_100011218213_100000702099 [0,1,1,0,0,0|2,0,0]=4 904 B8R0.8 CSCSC(F)C(=O)N 62a_100009813875_100011218213 [0,1,1,0,0,0|2,0,0]=4 905 B8R0.8 CSCSC(F)C(=O)N 62a_100011218213_100009813875 [0,1,1,0,0,0|2,0,0]=4 906 B8R0.8 CSCSC(F)C(=O)[O-] 62a_100011218213_100020610796 [0,1,1,0,0,0|1,0,1]=4 907 B8R0.8 CSCSC(F)C(=O)[O-] 62a_100020610796_100011218213 [0,1,1,0,0,0|1,0,1]=4 908 B8R0.8 C[C@H](NCC#N)C(=O)O 269956a_100000743915_100011215382 [0,1,1,0,0,0|2,0,0]=4 909 B8R0.8 C[C@H](NCC=O)C(=O)O 269956a_100000743915_200015260668 [0,1,1,0,0,0|2,0,0]=4 910 B8R0.8 C[C@H](NCCF)C(=O)O 269956a_100000743915_100011217306 [0,1,1,0,0,0|2,0,0]=4 911 B8R0.8 C[C@H](NCCO)C(=O)O 269956a_100000743915_100000211926 [0,1,1,0,0,0|2,0,0]=4 912 B8R0.8 O=C(O)C(F)CNCF 269956a_100000084737_100015361967 [0,1,1,0,0,0|2,0,0]=4 913 B8R0.9 C#CC(C)NCC(=O)O 269956a_100016091260_200000035995 [0,1,1,0,0,0|1,0,1]=4 914 B8R0.9 C=CC(C)NCC(=O)O 269956a_100016091260_100011215867 [0,1,1,0,0,0|1,0,1]=4 915 B8R0.9 CC(C#N)NCC(=O)O 269956a_100016091260_100000184139 [0,1,1,0,0,0|2,0,0]=4 916 B8R0.9 CCC(C)NCC(=O)N 2230a_100000209981_100000747473 [0,1,1,0,0,0|2,0,0]=4 917 B8R0.9 CCC(C)NCC(=O)N 2230a_100000711301_100000758301 [0,1,1,0,0,0|2,0,0]=4 918 B8R0.9 CCC(C)NCC(=O)O 269956a_100016091260_100000758301 [0,1,1,0,0,0|1,0,0]=3 919 B8R0.9 COC(C)NCC(=O)O 269956a_100016091260_100009879195 [0,1,1,0,0,0|0,1,0]=3 920 B8R0.9 C[C@H](CO)NCC(=O)O 269956a_100016091260_100016084084 [0,1,1,0,0,0|2,0,0]=4 921 B8R0.21 CSCNCC(C)(C)O 2230a_100000751335_100011218213 [0,1,1,0,0,0|1,0,1]=4 922 B8R0.28 C=C(C)CNCC(=O)N 2230a_100000711301_100000748629 [0,1,1,0,0,0|2,0,0]=4 923 B8R0.28 C=C(C)CNCC(=O)O 269956a_100016091260_100000748629 [0,1,1,0,0,0|1,0,0]=3 924 B8R0.28 C=C(F)CNCC(=O)O 269956a_100016091260_100000042424 [0,1,1,0,0,0|1,0,1]=4 925 B8R0.28 CC(=O)CCSC(C)C 1458a_100000070787_100000730970 [0,1,1,0,0,0|2,0,0]=4 926 B8R0.28 CC(=O)CCSC(C)C 62a_100000053229_100000210206 [0,1,1,0,0,0|2,0,0]=4 927 B8R0.28 CC(=O)CCSC(C)C 62a_100000210206_100000053229 [0,1,1,0,0,0|2,0,0]=4 928 B8R0.28 CC(C)CNCC(=O)N 2230a_100000210953_100000747473 [0,1,1,0,0,0|2,0,0]=4 929 B8R0.28 CC(C)CNCC(=O)N 2230a_100000711301_100000210760 [0,1,1,0,0,0|2,0,0]=4 930 B8R0.28 CC(C)CNCC(=O)N 34a_100000210953_100000187820 [0,1,1,0,0,0|2,0,0]=4 931 B8R0.28 CC(C)CNCC(=O)O 269956a_100016091260_100000210760 [0,1,1,0,0,0|1,0,0]=3 932 B8R0.28 CC(C)CNCC(=O)[O-] 34a_100000210953_100020667443 [0,1,1,0,0,0|1,0,1]=4 933 B8R0.28 CC(C)SCCC(=O)N 62a_100000210206_100000744528 [0,1,1,0,0,0|2,0,0]=4 934 B8R0.28 CC(C)SCCC(=O)N 62a_100000744528_100000210206 [0,1,1,0,0,0|2,0,0]=4 935 B8R0.28 CC(O)CNCC(=O)N 2230a_100000210904_100000747473 [0,1,1,0,0,0|2,0,0]=4 936 B8R0.28 CC(O)CNCC(=O)N 2230a_100000711301_100011218427 [0,1,1,0,0,0|2,0,0]=4 937 B8R0.28 CC(O)CNCC(=O)N 34a_100000210904_100000187820 [0,1,1,0,0,0|2,0,0]=4 938 B8R0.28 CC(O)CNCC(=O)O 269956a_100016091260_100011218427 [0,1,1,0,0,0|1,0,0]=3 939 B8R0.28 CC(O)CNCC(=O)[O-] 34a_100000210904_100020667443 [0,1,1,0,0,0|1,0,1]=4 940 B8R0.28 CN(C)CCCC(=O)O 269956a_100000719178_200000210301 [0,1,1,0,0,0|2,0,0]=4 941 B8R0.28 CN([13CH3])CCCC(=O)O 269956a_100000719178_200025704644 [0,1,1,0,0,0|2,0,0]=4 942 B8R0.28 C[C@@H](O)CNCC(=O)N 2230a_100000711301_100009817552 [0,1,1,0,0,0|2,0,0]=4 943 B8R0.28 C[C@@H](O)CNCC(=O)O 269956a_100016091260_100009817552 [0,1,1,0,0,0|1,0,0]=3 944 B8R0.28 NC(=O)CNCC(=O)O 269956a_100016091260_100000187820 [0,1,1,0,0,0|2,0,0]=4 945 B8R0.28 O=C(O)CNCC(F)F 269956a_100016091260_100011934356 [0,1,1,0,0,0|2,0,0]=4 946 B8R0.28 O=C(O)CNC[N+](=O)[O-] 269956a_100016091260_100000761209 [0,1,1,0,0,0|2,0,0]=4 947 B8R0.28 O=C([O-])CNCC(=O)O 269956a_100016091260_100020667443 [0,1,1,0,0,0|2,0,0]=4 948 B8R0.2 CC(C(=O)O)N(C)CF 269956a_100000749554_100015361967 [0,1,1,0,0,0|1,0,0]=3 949 B8R0.2 CCN(C)C(C)C(=O)C 1458a_100011281945_200000210301 [0,1,1,0,0,0|2,0,0]=4 950 B8R0.2 CCN(C)C(C)C(=O)C 2230a_100000225621_100009814033 [0,1,1,0,0,0|2,0,0]=4 951 B8R0.2 CCN(C)C(C)C(=O)C 269982a_100000225621_100009814033 [0,1,1,0,0,0|2,0,0]=4 952 B8R0.2 CCN(C)C(C)C(=O)N 2230a_100000225621_100000702099 [0,1,1,0,0,0|2,0,0]=4 953 B8R0.2 CCN(C)C(C)C(=O)N 2230a_100020603310_200000210301 [0,1,1,0,0,0|2,0,0]=4 954 B8R0.2 CCN(C)C(C)C(=O)N 269982a_100000225621_100000184083 [0,1,1,0,0,0|2,0,0]=4 955 B8R0.2 CCN(C)C(C)C(=O)N 269982a_100020603310_200000210301 [0,1,1,0,0,0|2,0,0]=4 956 B8R0.2 CCN(C)C(C)C(=O)O 269956a_100000749554_100000210202 [0,1,1,0,0,0|1,0,0]=3 957 B8R0.2 CCN(C)C(C)C(=O)[13CH3] 1458a_100011281945_200025704644 [0,1,1,0,0,0|2,0,0]=4 958 B8R0.2 CCN([13CH3])C(C)C(=O)N 2230a_100020603310_200025704644 [0,1,1,0,0,0|2,0,0]=4 959 B8R0.2 CCN([13CH3])C(C)C(=O)N 269982a_100020603310_200025704644 [0,1,1,0,0,0|2,0,0]=4 960 B8R0.2 CO[C@H](C)[C@H](N)C(=O)N 34a_100000003557_200000210301 [0,1,1,0,0,0|1,1,0]=4 961 B8R0.2 C[C@@H](O[13CH3])[C@H](N)C(=O)N 34a_100000003557_200025704644 [0,1,1,0,0,0|1,1,0]=4 962 B8R0.3 C=C(CSC)C(=O)OC 62a_100009813391_200000210301 [0,1,1,0,0,0|1,0,1]=4 963 B8R0.3 C=C(CSC)C(=O)OC 62a_200000210301_100009813391 [0,1,1,0,0,0|1,0,1]=4 964 B8R0.3 C=C(CS[13CH3])C(=O)OC 62a_100009813391_200025704644 [0,1,1,0,0,0|1,0,1]=4 965 B8R0.3 C=C(CS[13CH3])C(=O)OC 62a_200025704644_100009813391 [0,1,1,0,0,0|1,0,1]=4 966 B8R0.3 CC(CCO)C(=O)CO 1458a_100000210174_100009893172 [0,1,1,0,0,0|1,1,0]=4 967 B8R0.3 CCC(=O)C(C)CSC 1458a_100000753918_100000210202 [0,1,1,0,0,0|2,0,0]=4 968 B8R0.3 CCCC(C)C(=O)CO 1458a_100000210174_100000766640 [0,1,1,0,0,0|2,0,0]=4 969 B8R0.3 CCNC(C)C(=O)CC 2230a_100015525214_100000742827 [0,1,1,0,0,0|2,0,0]=4 970 B8R0.3 CCNC(C)C(=O)NC 2230a_100015525214_100000731044 [0,1,1,0,0,0|2,0,0]=4 971 B8R0.3 CCNC(C)C(=O)OC 2230a_100015525214_100000211248 [0,1,1,0,0,0|1,0,0]=3 972 B8R0.3 CCN[C@H](C)C(=O)NC 2230a_100000684985_100000210202 [0,1,1,0,0,0|2,0,0]=4 973 B8R0.3 CCN[C@H](C)C(=O)NC 34a_100000684985_100000210202 [0,1,1,0,0,0|2,0,0]=4 974 B8R0.3 CCOC(C)C(=O)OC 34a_100011215400_100000210202 [0,1,1,0,0,0|2,0,0]=4 975 B8R0.3 CCOC(C)C(=O)OC 34a_100121572206_100000211248 [0,1,1,0,0,0|2,0,0]=4 976 B8R0.3 CCSC(C)C(=O)OC 62a_100000210202_100000211248 [0,1,1,0,0,0|2,0,0]=4 977 B8R0.3 CCSC(C)C(=O)OC 62a_100000211248_100000210202 [0,1,1,0,0,0|2,0,0]=4 978 B8R0.3 CNC(=O)C(C)CSC 11a_106832991635_100000753918 [0,1,1,0,0,0|2,0,0]=4 979 B8R0.3 CNC(=O)C(C)CSC 1626a_100102657272_100000753918 [0,1,1,0,0,0|2,0,0]=4 980 B8R0.3 CNC(=O)C(C)CSC 240690a_100102657272_100000753918 [0,1,1,0,0,0|2,0,0]=4 981 B8R0.3 CNC(=O)C(C)CSC 527a_100102657272_100000753918 [0,1,1,0,0,0|2,0,0]=4 982 B8R0.3 CNC(=O)[C@@H](C)NCF 34a_100000684985_100015361967 [0,1,1,0,0,0|2,0,0]=4 983 B8R0.3 CNCC(C)C(=O)OC 34a_100102657272_100000698445 [0,1,1,0,0,0|2,0,0]=4 984 B8R0.3 COC(=O)C(=O)CSC 62a_100011610305_200000210301 [0,1,1,0,0,0|1,0,1]=4 985 B8R0.3 COC(=O)C(=O)CSC 62a_200000210301_100011610305 [0,1,1,0,0,0|1,0,1]=4 986 B8R0.3 COC(=O)C(=O)CS[13CH3] 62a_100011610305_200025704644 [0,1,1,0,0,0|1,0,1]=4 987 B8R0.3 COC(=O)C(=O)CS[13CH3] 62a_200025704644_100011610305 [0,1,1,0,0,0|1,0,1]=4 988 B8R0.3 COC(=O)C(C)CO[13CH3] 34a_100000749362_200025704644 [0,1,1,0,0,0|1,1,0]=4 989 B8R0.3 COC(=O)C(C)CO[13CH3] 7a_100000749362_200025704644 [0,1,1,0,0,0|1,1,0]=4 990 B8R0.3 COC(=O)C(C)CSC 62a_100000698445_200000210301 [0,1,1,0,0,0|1,0,0]=3 991 B8R0.3 COC(=O)C(C)CSC 62a_200000210301_100000698445 [0,1,1,0,0,0|1,0,0]=3 992 B8R0.3 COC(=O)C(C)CS[13CH3] 62a_100000698445_200025704644 [0,1,1,0,0,0|1,0,0]=3 993 B8R0.3 COC(=O)C(C)CS[13CH3] 62a_200025704644_100000698445 [0,1,1,0,0,0|1,0,0]=3 994 B8R0.3 COC(=O)C(C)OCF 34a_100011215400_100015361967 [0,1,1,0,0,0|2,0,0]=4 995 B8R0.3 COC(=O)C(C)SCF 62a_100000211248_100015361967 [0,1,1,0,0,0|2,0,0]=4 996 B8R0.3 COC(=O)C(C)SCF 62a_100015361967_100000211248 [0,1,1,0,0,0|2,0,0]=4 997 B8R0.3 COC(=O)C(F)CO[13CH3] 34a_200009849844_200025704644 [0,1,1,0,0,0|1,1,0]=4 998 B8R0.3 COC(=O)[C@H](N)CO[13CH3] 34a_100000003586_200025704644 [0,1,1,0,0,0|0,1,0]=3 999 B8R0.3 COCC(C)C(=O)CO 1458a_100000210174_100000765312 [0,1,1,0,0,0|1,1,0]=4 1000 B8R0.3 COCC(C)C(=O)OC 34a_100000749362_200000210301 [0,1,1,0,0,0|1,1,0]=4 1001 B8R0.3 COCC(C)C(=O)OC 34a_100138415774_100000698445 [0,1,1,0,0,0|1,1,0]=4 1002 B8R0.3 COCC(C)C(=O)OC 7a_100000749362_200000210301 [0,1,1,0,0,0|1,1,0]=4 1003 B8R0.3 COCC(F)C(=O)OC 34a_200009849844_200000210301 [0,1,1,0,0,0|1,1,0]=4 1004 B8R0.3 COCC(N)C(=O)NN 34a_100016989258_200000210301 [0,1,1,0,0,0|1,1,0]=4 1005 B8R0.3 COC[C@@H](N)C(=O)OC 34a_100000003586_200000210301 [0,1,1,0,0,0|0,1,0]=3 1006 B8R0.3 CSCC(C)C(=O)CF 1458a_100000753918_100015361967 [0,1,1,0,0,0|2,0,0]=4 1007 B8R0.3 [13CH3]OCC(N)C(=O)NN 34a_100016989258_200025704644 [0,1,1,0,0,0|1,1,0]=4 1008 B8R0.12 CC(C)(CN[13CH3])C(=O)O 269956a_100000693527_200025704644 [0,1,1,0,0,0|2,0,0]=4 1009 B8R0.12 CC(C)(CS[13CH3])C(=O)N 62a_200009895572_200025704644 [0,1,1,0,0,0|2,0,0]=4 1010 B8R0.12 CC(C)(CS[13CH3])C(=O)N 62a_200025704644_200009895572 [0,1,1,0,0,0|2,0,0]=4 1011 B8R0.12 CC(C)(NCF)C(=O)N 34a_100000743658_100015361967 [0,1,1,0,0,0|2,0,0]=4 1012 B8R0.12 CCNC(C)(C)C(=O)N 2230a_100000743658_100000210202 [0,1,1,0,0,0|2,0,0]=4 1013 B8R0.12 CCNC(C)(C)C(=O)N 2230a_100015525214_100000702505 [0,1,1,0,0,0|2,0,0]=4 1014 B8R0.12 CCNC(C)(C)C(=O)N 34a_100000743658_100000210202 [0,1,1,0,0,0|2,0,0]=4 1015 B8R0.12 CNCC(C)(C)C(=O)O 269956a_100000693527_200000210301 [0,1,1,0,0,0|2,0,0]=4 1016 B8R0.12 CNCC(F)(F)C(=O)O 269956a_100000734215_200000210301 [0,1,1,0,0,0|2,0,0]=4 1017 B8R0.12 CSCC(C)(C)C(=O)N 62a_200000210301_200009895572 [0,1,1,0,0,0|2,0,0]=4 1018 B8R0.12 CSCC(C)(C)C(=O)N 62a_200009895572_200000210301 [0,1,1,0,0,0|2,0,0]=4 1019 B8R0.12 [13CH3]NCC(F)(F)C(=O)O 269956a_100000734215_200025704644 [0,1,1,0,0,0|2,0,0]=4 1020 B8R0.15 C=C[C@H](NCC)C(=O)O 269956a_100016992060_100000210202 [0,1,1,0,0,0|1,0,1]=4 1021 B8R0.15 C=C[C@H](NCF)C(=O)O 269956a_100016992060_100015361967 [0,1,1,0,0,0|1,0,1]=4 1022 B8R0.15 CCC(NCF)C(=O)N 34a_100000733705_100015361967 [0,1,1,0,0,0|2,0,0]=4 1023 B8R0.15 CCC[C@H](NC)C(=O)N 2230a_100000729256_200000210301 [0,1,1,0,0,0|2,0,0]=4 1024 B8R0.15 CCC[C@H](NC)C(=O)N 34a_100000729256_200000210301 [0,1,1,0,0,0|2,0,0]=4 1025 B8R0.15 CCC[C@H](NC)C(=O)O 269956a_100000750406_200000210301 [0,1,1,0,0,0|1,0,0]=3 1026 B8R0.15 CCC[C@H](N[13CH3])C(=O)N 2230a_100000729256_200025704644 [0,1,1,0,0,0|2,0,0]=4 1027 B8R0.15 CCC[C@H](N[13CH3])C(=O)N 34a_100000729256_200025704644 [0,1,1,0,0,0|2,0,0]=4 1028 B8R0.15 CCC[C@H](N[13CH3])C(=O)O 269956a_100000750406_200025704644 [0,1,1,0,0,0|1,0,0]=3 1029 B8R0.15 CCNC(CC)C(=O)N 2230a_100000733705_100000210202 [0,1,1,0,0,0|2,0,0]=4 1030 B8R0.15 CCNC(CC)C(=O)N 2230a_100015525214_100000750255 [0,1,1,0,0,0|2,0,0]=4 1031 B8R0.15 CCNC(CC)C(=O)N 34a_100000733705_100000210202 [0,1,1,0,0,0|2,0,0]=4 1032 B8R0.15 CCNC(CO)C(=O)O 269956a_100000187304_100000210202 [0,1,1,0,0,0|1,0,0]=3 1033 B8R0.15 CCN[C@@H](CO)C(=O)N 2230a_100000729942_100000210202 [0,1,1,0,0,0|2,0,0]=4 1034 B8R0.15 CCN[C@@H](CO)C(=O)N 34a_100000729942_100000210202 [0,1,1,0,0,0|2,0,0]=4 1035 B8R0.15 CCN[C@H](CC)C(=O)O 269956a_100000747097_100000210202 [0,1,1,0,0,0|1,0,0]=3 1036 B8R0.15 CC[C@@H](NCF)C(=O)O 269956a_100000747097_100015361967 [0,1,1,0,0,0|1,0,0]=3 1037 B8R0.15 CN[C@@H](CSC)C(=O)O 269956a_100011421858_200000210301 [0,1,1,0,0,0|0,0,0]=2 1038 B8R0.15 CN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_200000210301 [0,1,1,0,0,0|0,1,0]=3 1039 B8R0.15 CN[C@H](COC)C(=O)O 269956a_100011998655_200000210301 [0,1,1,0,0,0|0,1,0]=3 1040 B8R0.15 COC[C@@H](N[13CH3])C(=O)O 269956a_100011998655_200025704644 [0,1,1,0,0,0|0,1,0]=3 1041 B8R0.15 CSC[C@H](N[13CH3])C(=O)O 269956a_100011421858_200025704644 [0,1,1,0,0,0|0,0,0]=2 1042 B8R0.15 C[Se]C[C@H](N[13CH3])C(=O)O 269956a_100015254316_200025704644 [0,1,1,0,0,0|0,1,0]=3 1043 B8R0.15 NC(=O)[C@H](CO)NCF 34a_100000729942_100015361967 [0,1,1,0,0,0|2,0,0]=4 1044 B8R0.15 O=C(O)C(CO)NCF 269956a_100000187304_100015361967 [0,1,1,0,0,0|1,0,0]=3 1045 B8R0.23 CC(=O)C(C)NC(C)C 2230a_100138425928_100009814033 [0,1,1,0,0,0|2,0,0]=4 1046 B8R0.23 CC(C)NC(C)C(=O)N 2230a_100138425928_100000702099 [0,1,1,0,0,0|2,0,0]=4 1047 B8R0.23 CC(C)NC(C)C(=O)N 34a_100138425928_100000702099 [0,1,1,0,0,0|2,0,0]=4 1048 B8R0.23 CC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000210206 [0,1,1,0,0,0|1,0,0]=3 1049 B8R0.23 CC(C)N[C@H](C)C(=O)N 2230a_100000119354_100000210206 [0,1,1,0,0,0|2,0,0]=4 1050 B8R0.23 CC(C)N[C@H](C)C(=O)N 34a_100000119354_100000210206 [0,1,1,0,0,0|2,0,0]=4 1051 B8R0.18 CC(C)[C@@H](N[13CH3])C(=O)O 269956a_100000745019_200025704644 [0,1,1,0,0,0|1,0,0]=3 1052 B8R0.18 CC(O)C(N[13CH3])C(=O)O 269956a_100000185852_200025704644 [0,1,1,0,0,0|0,1,0]=3 1053 B8R0.18 CCC(C(=O)C)N(C)C 1458a_100000689100_200000210301 [0,1,1,0,0,0|2,0,0]=4 1054 B8R0.18 CCC(C(=O)N)N(C)C 2230a_100102631434_100000750255 [0,1,1,0,0,0|2,0,0]=4 1055 B8R0.18 CCC(C(=O)N)N(C)C 269982a_100102631434_100000750255 [0,1,1,0,0,0|2,0,0]=4 1056 B8R0.18 CCC(C(=O)[13CH3])N(C)C 1458a_100000689100_200025704644 [0,1,1,0,0,0|2,0,0]=4 1057 B8R0.18 CC[C@@H](C(=O)N)N(C)C 2230a_103436537554_200000210301 [0,1,1,0,0,0|2,0,0]=4 1058 B8R0.18 CC[C@@H](C(=O)N)N(C)C 269982a_103436537554_200000210301 [0,1,1,0,0,0|2,0,0]=4 1059 B8R0.18 CC[C@@H](C(=O)N)N(C)[13CH3] 2230a_103436537554_200025704644 [0,1,1,0,0,0|2,0,0]=4 1060 B8R0.18 CC[C@@H](C(=O)N)N(C)[13CH3] 269982a_103436537554_200025704644 [0,1,1,0,0,0|2,0,0]=4 1061 B8R0.18 CN(C)[C@@H](CO)C(=O)O 269956a_100015362447_200000210301 [0,1,1,0,0,0|0,1,0]=3 1062 B8R0.18 CN([13CH3])[C@@H](CO)C(=O)O 269956a_100015362447_200025704644 [0,1,1,0,0,0|0,1,0]=3 1063 B8R0.18 CNC(C(=O)N)C(C)C 34a_100102657272_100000230017 [0,1,1,0,0,0|2,0,0]=4 1064 B8R0.18 CNC(C(=O)N)C(C)C 7a_106832991635_100000230017 [0,1,1,0,0,0|2,0,0]=4 1065 B8R0.18 CNC(C(=O)O)C(C)O 269956a_100000185852_200000210301 [0,1,1,0,0,0|0,1,0]=3 1066 B8R0.18 CN[C@@H](C(=O)O)C(C)C 269956a_100000745019_200000210301 [0,1,1,0,0,0|1,0,0]=3 1067 B8R0.18 CN[C@H](C(=O)N)[C@@H](C)O 2230a_100000003557_200000210301 [0,1,1,0,0,0|1,1,0]=4 1068 B8R0.18 C[C@@H](O)[C@H](N[13CH3])C(=O)N 2230a_100000003557_200025704644 [0,1,1,0,0,0|1,1,0]=4 1069 B8R0.20 CCC(CC)C(=O)CO 1458a_100000210174_100000210505 [0,1,1,0,0,0|2,0,0]=4 1070 B8R0.20 CCC(NC)C(=O)OC 2230a_106832991635_100000235869 [0,1,1,0,0,0|1,0,0]=3 1071 B8R0.20 CCC(NC)C(=O)OC 34a_100102657272_100000235869 [0,1,1,0,0,0|1,0,0]=3 1072 B8R0.20 CCC(NC)C(=O)OC 7a_106832991635_100000742303 [0,1,1,0,0,0|1,0,0]=3 1073 B8R0.20 CCC(OC)C(=O)OC 34a_100000695916_200000210301 [0,1,1,0,0,0|2,0,0]=4 1074 B8R0.20 CCC(OC)C(=O)OC 34a_100138415774_100000235869 [0,1,1,0,0,0|2,0,0]=4 1075 B8R0.20 CCC(OC)C(=O)OC 7a_100000695916_200000210301 [0,1,1,0,0,0|2,0,0]=4 1076 B8R0.20 CCC(O[13CH3])C(=O)OC 34a_100000695916_200025704644 [0,1,1,0,0,0|2,0,0]=4 1077 B8R0.20 CCC(O[13CH3])C(=O)OC 7a_100000695916_200025704644 [0,1,1,0,0,0|2,0,0]=4 1078 B8R0.20 CCC(SC)C(=O)OC 62a_100000235869_200000210301 [0,1,1,0,0,0|2,0,0]=4 1079 B8R0.20 CCC(SC)C(=O)OC 62a_200000210301_100000235869 [0,1,1,0,0,0|2,0,0]=4 1080 B8R0.20 CCC(S[13CH3])C(=O)OC 62a_100000235869_200025704644 [0,1,1,0,0,0|2,0,0]=4 1081 B8R0.20 CCC(S[13CH3])C(=O)OC 62a_200025704644_100000235869 [0,1,1,0,0,0|2,0,0]=4 1082 B8R0.20 CC[C@H](NC)C(=O)NC 2230a_106657271573_200000210301 [0,1,1,0,0,0|2,0,0]=4 1083 B8R0.20 CC[C@H](NC)C(=O)NC 34a_106657271573_200000210301 [0,1,1,0,0,0|2,0,0]=4 1084 B8R0.20 CC[C@H](N[13CH3])C(=O)NC 2230a_106657271573_200025704644 [0,1,1,0,0,0|2,0,0]=4 1085 B8R0.20 CC[C@H](N[13CH3])C(=O)NC 34a_106657271573_200025704644 [0,1,1,0,0,0|2,0,0]=4 1086 B8R0.20 CNC(C=O)C(=O)OC 34a_100102657272_100000046368 [0,1,1,0,0,0|0,1,1]=4 1087 B8R0.20 CNC(CO)C(=O)OC 34a_100102657272_100012276630 [0,1,1,0,0,0|0,1,0]=3 1088 B8R0.20 CNC(OC)C(=O)OC 34a_100102657272_100000101307 [0,1,1,0,0,0|2,0,0]=4 1089 B8R0.20 COC(=O)C(CN)OC 34a_100000695228_200000210301 [0,1,1,0,0,0|2,0,0]=4 1090 B8R0.20 COC(=O)C(CN)O[13CH3] 34a_100000695228_200025704644 [0,1,1,0,0,0|2,0,0]=4 1091 B8R0.20 COC(=O)C(CO)OC 34a_100138415774_100012276630 [0,1,1,0,0,0|1,1,0]=4 1092 B8R0.20 COC(=O)C(CO)SC 62a_100012276630_200000210301 [0,1,1,0,0,0|1,1,0]=4 1093 B8R0.20 COC(=O)C(CO)SC 62a_200000210301_100012276630 [0,1,1,0,0,0|1,1,0]=4 1094 B8R0.20 COC(=O)C(CO)S[13CH3] 62a_100012276630_200025704644 [0,1,1,0,0,0|1,1,0]=4 1095 B8R0.20 COC(=O)C(CO)S[13CH3] 62a_200025704644_100012276630 [0,1,1,0,0,0|1,1,0]=4 1096 B8R0.36 CCC(C)(NC)C(=O)O 269956a_100025756313_200000210301 [0,1,1,0,0,0|1,0,0]=3 1097 B8R0.36 CCC(C)(N[13CH3])C(=O)O 269956a_100025756313_200025704644 [0,1,1,0,0,0|1,0,0]=3 1098 B8R1.8 COC[C@H]1CCCN1 34a_100000745186_200000210301 [1,1,0,0,0,0|1,0,1]=4 1099 B8R1.8 O=CCN1CCSC1 2230a_100011215254_200015260668 [1,1,0,0,0,0|2,0,0]=4 1100 B8R1.8 O=CCN1CCSC1 269982a_100011215254_200015260668 [1,1,0,0,0,0|2,0,0]=4 1101 B8R1.8 [13CH3]OC[C@H]1CCCN1 34a_100000745186_200025704644 [1,1,0,0,0,0|1,0,1]=4 1102 B8R1.11 CN1CCC[C@@H]1CO 2230a_100000745186_200000210301 [1,1,0,0,0,0|1,0,1]=4 1103 B8R1.11 CN1CCC[C@@H]1CO 269982a_100000745186_200000210301 [1,1,0,0,0,0|1,0,1]=4 1104 B8R1.11 CN1CCC[C@@H]1CO 34a_100000745186_200000210301 [1,1,0,0,0,0|1,0,1]=4 1105 B8R1.11 [13CH3]N1CCC[C@@H]1CO 2230a_100000745186_200025704644 [1,1,0,0,0,0|1,0,1]=4 1106 B8R1.11 [13CH3]N1CCC[C@@H]1CO 269982a_100000745186_200025704644 [1,1,0,0,0,0|1,0,1]=4 1107 B8R1.11 [13CH3]N1CCC[C@@H]1CO 34a_100000745186_200025704644 [1,1,0,0,0,0|1,0,1]=4 1108 B8R1.23 C=C1CC(C1)C(=O)C 1458a_100000065620_200000210301 [0,1,0,0,1,0|2,0,0]=4 1109 B8R1.23 C=C1CC(C1)C(=O)[13CH3] 1458a_100000065620_200025704644 [0,1,0,0,1,0|2,0,0]=4 1110 B8R1.23 CC(=O)C1CC(C1)C 1458a_100000686124_200000210301 [0,1,0,0,1,0|2,0,0]=4 1111 B8R1.23 CC(=O)C1CC(C1)F 1458a_100000062598_200000210301 [0,1,0,0,1,0|2,0,0]=4 1112 B8R1.23 CC(=O)C1CN(C1)C 1458a_100012002723_200000210301 [0,1,0,0,1,0|2,0,0]=4 1113 B8R1.23 CC(=O)[C@@H]1CC(=O)N1 1458a_100016090685_200000210301 [0,1,0,0,1,0|1,0,1]=4 1114 B8R1.23 CC(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_200000210301 [0,1,0,0,1,0|2,0,0]=4 1115 B8R1.23 CC1CC(C1)C(=O)[13CH3] 1458a_100000686124_200025704644 [0,1,0,0,1,0|2,0,0]=4 1116 B8R1.23 CN1CC(C1)C(=O)N 34a_100025753142_200000210301 [0,1,0,0,1,0|2,0,0]=4 1117 B8R1.23 CN1CC(C1)C(=O)[13CH3] 1458a_100012002723_200025704644 [0,1,0,0,1,0|2,0,0]=4 1118 B8R1.23 [13CH3]C(=O)C1CC(C1)F 1458a_100000062598_200025704644 [0,1,0,0,1,0|2,0,0]=4 1119 B8R1.23 [13CH3]C(=O)[C@@H]1CC(=O)N1 1458a_100016090685_200025704644 [0,1,0,0,1,0|1,0,1]=4 1120 B8R1.23 [13CH3]C(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_200025704644 [0,1,0,0,1,0|2,0,0]=4 1121 B8R1.23 [13CH3]N1CC(C1)C(=O)N 34a_100025753142_200025704644 [0,1,0,0,1,0|2,0,0]=4 1122 B8R1.31 CC(=O)C1CCC1=O 1458a_100000070787_100009892977 [0,1,0,0,1,0|2,0,0]=4 1123 B8R1.31 CN1CCC1C(=O)O 269956a_100000021838_200000210301 [0,1,0,0,1,0|0,0,0]=2 1124 B8R1.31 [13CH3]N1CCC1C(=O)O 269956a_100000021838_200025704644 [0,1,0,0,1,0|0,0,0]=2 1125 B8R1.38 C#CC(=O)C1CCC1 1458a_100000211873_100000749161 [0,1,0,0,1,0|2,0,0]=4 1126 B8R1.38 C#CC(=O)C1COC1 1458a_100000211873_100000687716 [0,1,0,0,1,0|1,1,0]=4 1127 B8R1.38 C=CC(=O)C1CCC1 1458a_100000185746_100000749161 [0,1,0,0,1,0|2,0,0]=4 1128 B8R1.38 C=CC(=O)C1COC1 1458a_100000185746_100000687716 [0,1,0,0,1,0|1,1,0]=4 1129 B8R1.38 CCC(=O)C1CCC1 1458a_100000209988_100000210202 [0,1,0,0,1,0|2,0,0]=4 1130 B8R1.38 CCC(=O)C1CCC1 1458a_100000210414_100000749161 [0,1,0,0,1,0|2,0,0]=4 1131 B8R1.38 CCC(=O)C1CCO1 1458a_100000089072_100000210202 [0,1,0,0,1,0|2,0,0]=4 1132 B8R1.38 CCC(=O)C1COC1 1458a_100000210414_100000687716 [0,1,0,0,1,0|1,1,0]=4 1133 B8R1.38 CCC(=O)C1COC1 1458a_100000758290_100000210202 [0,1,0,0,1,0|1,1,0]=4 1134 B8R1.38 CNC(=O)C1CCC1 11a_106832991635_100000209988 [0,1,0,0,1,0|2,0,0]=4 1135 B8R1.38 CNC(=O)C1CCC1 1626a_100102657272_100000209988 [0,1,0,0,1,0|2,0,0]=4 1136 B8R1.38 CNC(=O)C1CCC1 240690a_100102657272_100000209988 [0,1,0,0,1,0|2,0,0]=4 1137 B8R1.38 CNC(=O)C1CCC1 527a_100102657272_100000209988 [0,1,0,0,1,0|2,0,0]=4 1138 B8R1.38 CNC(=O)C1CCO1 11a_106832991635_100000089072 [0,1,0,0,1,0|2,0,0]=4 1139 B8R1.38 CNC(=O)C1CCO1 1626a_100102657272_100000089072 [0,1,0,0,1,0|2,0,0]=4 1140 B8R1.38 CNC(=O)C1CCO1 240690a_100102657272_100000089072 [0,1,0,0,1,0|2,0,0]=4 1141 B8R1.38 CNC(=O)C1CCO1 527a_100102657272_100000089072 [0,1,0,0,1,0|2,0,0]=4 1142 B8R1.38 CNC(=O)C1COC1 11a_106832991635_100000758290 [0,1,0,0,1,0|1,1,0]=4 1143 B8R1.38 CNC(=O)C1COC1 1626a_100102657272_100000758290 [0,1,0,0,1,0|1,1,0]=4 1144 B8R1.38 CNC(=O)C1COC1 240690a_100102657272_100000758290 [0,1,0,0,1,0|1,1,0]=4 1145 B8R1.38 CNC(=O)C1COC1 527a_100102657272_100000758290 [0,1,0,0,1,0|1,1,0]=4 1146 B8R1.38 O=C(CF)C1CCC1 1458a_100000209988_100015361967 [0,1,0,0,1,0|2,0,0]=4 1147 B8R1.38 O=C(CF)C1CCO1 1458a_100000089072_100015361967 [0,1,0,0,1,0|2,0,0]=4 1148 B8R1.38 O=C(CF)C1COC1 1458a_100000758290_100015361967 [0,1,0,0,1,0|1,1,0]=4 1149 B8R1.38 O=C(CO)C1CCC1 1458a_100000210174_100000749161 [0,1,0,0,1,0|1,0,0]=3 1150 B8R1.38 O=C(CO)C1COC1 1458a_100000210174_100000687716 [0,1,0,0,1,0|0,1,0]=3 1151 B8R1.38 O=C(CO)N1CCC1 240690a_100000754969_100000210174 [0,1,0,0,1,0|2,0,0]=4 1152 B8R1.38 O=C(CO)N1CCC1 527a_100000754969_100000210174 [0,1,0,0,1,0|2,0,0]=4 1153 B8R1.78 CC(=O)C1(CCC1)C 1458a_100000684636_200000210301 [0,1,0,0,1,0|2,0,0]=4 1154 B8R1.78 CC(=O)C1(CCC1)O 1458a_100000242746_200000210301 [0,1,0,0,1,0|2,0,0]=4 1155 B8R1.78 CC(=O)C1(COC1)C 1458a_100000094709_200000210301 [0,1,0,0,1,0|1,1,0]=4 1156 B8R1.78 CC(=O)C1(COC1)O 1458a_100010273515_200000210301 [0,1,0,0,1,0|1,1,0]=4 1157 B8R1.78 CC1(CCC1)C(=O)[13CH3] 1458a_100000684636_200025704644 [0,1,0,0,1,0|2,0,0]=4 1158 B8R1.78 CC1(COC1)C(=O)[13CH3] 1458a_100000094709_200025704644 [0,1,0,0,1,0|1,1,0]=4 1159 B8R1.78 [13CH3]C(=O)C1(CCC1)O 1458a_100000242746_200025704644 [0,1,0,0,1,0|2,0,0]=4 1160 B8R1.78 [13CH3]C(=O)C1(COC1)O 1458a_100010273515_200025704644 [0,1,0,0,1,0|1,1,0]=4 1161 B10R1.13 CN1CCC(CC1)C(=O)O 269956a_100000210459_200000210301 [0,1,0,0,0,1|2,0,0]=4 1162 B10R1.13 [13CH3]N1CCC(CC1)C(=O)O 269956a_100000210459_200025704644 [0,1,0,0,0,1|2,0,0]=4 1163 B10R1.15 CCC(=O)C1CCSCC1 1458a_100000755232_100000210202 [0,1,0,0,0,1|2,0,0]=4 1164 B10R1.15 CNC(=O)C1CCSCC1 11a_106832991635_100000755232 [0,1,0,0,0,1|2,0,0]=4 1165 B10R1.15 CNC(=O)C1CCSCC1 1626a_100102657272_100000755232 [0,1,0,0,0,1|2,0,0]=4 1166 B10R1.15 CNC(=O)C1CCSCC1 240690a_100102657272_100000755232 [0,1,0,0,0,1|2,0,0]=4 1167 B10R1.15 CNC(=O)C1CCSCC1 527a_100102657272_100000755232 [0,1,0,0,0,1|2,0,0]=4 1168 B10R1.15 O=C(CF)C1CCSCC1 1458a_100000755232_100015361967 [0,1,0,0,0,1|2,0,0]=4 1169 B10R1.15 O=C(CO)C1C=CCCC1 1458a_100000210174_100000751183 [0,1,0,0,0,1|2,0,0]=4 1170 B10R1.15 O=C(CO)C1CCCCC1 1458a_100000210174_100000210327 [0,1,0,0,0,1|2,0,0]=4 1171 B10R1.15 O=C(CO)C1CCCOC1 1458a_100000210174_100000693364 [0,1,0,0,0,1|1,1,0]=4 1172 B10R1.15 O=C(CO)C1CCOCC1 1458a_100000210174_100011324220 [0,1,0,0,0,1|1,1,0]=4 1173 B10R1.15 O=C(CO)N1CCSCC1 240690a_100000737611_100000210174 [0,1,0,0,0,1|2,0,0]=4 1174 B10R1.15 O=C(CO)N1CCSCC1 527a_100000737611_100000210174 [0,1,0,0,0,1|2,0,0]=4 1175 B10R1.61 CC(=O)C1CCCNC1=O 1458a_100000070787_100000687798 [0,1,0,0,0,1|2,0,0]=4 1176 B10R1.61 CC(=O)C1CCCNC1=O 1458a_100000087122_200000210301 [0,1,0,0,0,1|2,0,0]=4 1177 B10R1.61 CC(=O)[C@H]1CCCCN1C 1458a_100000767060_200000210301 [0,1,0,0,0,1|2,0,0]=4 1178 B10R1.61 CN1CCCCC1C(=O)N 2230a_100000181395_200000210301 [0,1,0,0,0,1|2,0,0]=4 1179 B10R1.61 CN1CCCCC1C(=O)N 269982a_100000181395_200000210301 [0,1,0,0,0,1|2,0,0]=4 1180 B10R1.61 CN1CCCCC1C(=O)N 34a_100000181395_200000210301 [0,1,0,0,0,1|2,0,0]=4 1181 B10R1.61 CN1CCCC[C@@H]1C(=O)O 269956a_100000763471_200000210301 [0,1,0,0,0,1|1,0,0]=3 1182 B10R1.61 CN1CCCC[C@@H]1C(=O)[13CH3] 1458a_100000767060_200025704644 [0,1,0,0,0,1|2,0,0]=4 1183 B10R1.61 CN1CCOC[C@@H]1C(=O)O 269956a_100016993156_200000210301 [0,1,0,0,0,1|0,1,0]=3 1184 B10R1.61 CN1CCSCC1C(=O)O 269956a_100011346106_200000210301 [0,1,0,0,0,1|0,0,0]=2 1185 B10R1.61 CN1CSCCC1C(=O)O 269956a_100015185162_200000210301 [0,1,0,0,0,1|0,0,0]=2 1186 B10R1.61 [13CH3]C(=O)C1CCCNC1=O 1458a_100000087122_200025704644 [0,1,0,0,0,1|2,0,0]=4 1187 B10R1.61 [13CH3]N1CCCCC1C(=O)N 2230a_100000181395_200025704644 [0,1,0,0,0,1|2,0,0]=4 1188 B10R1.61 [13CH3]N1CCCCC1C(=O)N 269982a_100000181395_200025704644 [0,1,0,0,0,1|2,0,0]=4 1189 B10R1.61 [13CH3]N1CCCCC1C(=O)N 34a_100000181395_200025704644 [0,1,0,0,0,1|2,0,0]=4 1190 B10R1.61 [13CH3]N1CCCC[C@@H]1C(=O)O 269956a_100000763471_200025704644 [0,1,0,0,0,1|1,0,0]=3 1191 B10R1.61 [13CH3]N1CCOC[C@@H]1C(=O)O 269956a_100016993156_200025704644 [0,1,0,0,0,1|0,1,0]=3 1192 B10R1.61 [13CH3]N1CCSCC1C(=O)O 269956a_100011346106_200025704644 [0,1,0,0,0,1|0,0,0]=2 1193 B10R1.61 [13CH3]N1CSCCC1C(=O)O 269956a_100015185162_200025704644 [0,1,0,0,0,1|0,0,0]=2 1194 B10R1.113 CC(=O)C1CCCN(C1)C 1458a_100015257587_200000210301 [0,1,0,0,0,1|2,0,0]=4 1195 B10R1.113 CC(=O)C1CSCC(=O)N1 1458a_100000045068_200000210301 [0,1,0,0,0,1|1,0,0]=3 1196 B10R1.113 CC(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_200000210301 [0,1,0,0,0,1|2,0,0]=4 1197 B10R1.113 CN1CCCC(C1)C(=O)N 2230a_100000195536_200000210301 [0,1,0,0,0,1|2,0,0]=4 1198 B10R1.113 CN1CCCC(C1)C(=O)N 269982a_100000195536_200000210301 [0,1,0,0,0,1|2,0,0]=4 1199 B10R1.113 CN1CCCC(C1)C(=O)N 34a_100000195536_200000210301 [0,1,0,0,0,1|2,0,0]=4 1200 B10R1.113 CN1CCCC(C1)C(=O)[13CH3] 1458a_100015257587_200025704644 [0,1,0,0,0,1|2,0,0]=4 1201 B10R1.113 [13CH3]C(=O)C1CSCC(=O)N1 1458a_100000045068_200025704644 [0,1,0,0,0,1|1,0,0]=3 1202 B10R1.113 [13CH3]C(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_200025704644 [0,1,0,0,0,1|2,0,0]=4 1203 B10R1.113 [13CH3]N1CCCC(C1)C(=O)N 2230a_100000195536_200025704644 [0,1,0,0,0,1|2,0,0]=4 1204 B10R1.113 [13CH3]N1CCCC(C1)C(=O)N 269982a_100000195536_200025704644 [0,1,0,0,0,1|2,0,0]=4 1205 B10R1.113 [13CH3]N1CCCC(C1)C(=O)N 34a_100000195536_200025704644 [0,1,0,0,0,1|2,0,0]=4 1206 B10R1.27 COC(=O)CN1CCSC1 2230a_100011215254_100000747449 [0,1,0,0,0,1|2,0,0]=4 1207 B10R1.27 COC(=O)CN1CCSC1 269982a_100011215254_100000747449 [0,1,0,0,0,1|2,0,0]=4 1208 B10R1.27 O=C(CO)CC1CCCC1 1458a_100000210174_100000740388 [0,1,0,0,0,1|2,0,0]=4 1209 B10R1.27 O=C(CO)CC1CCCO1 1458a_100000210174_100000203698 [0,1,0,0,0,1|2,0,0]=4 1210 B10R1.27 O=C(CO)CC1CCOC1 1458a_100000210174_100000702531 [0,1,0,0,0,1|1,1,0]=4 1211 B10R1.27 O=C(CO)NC1CCCC1 240690a_100000211070_100000210174 [0,1,0,0,0,1|2,0,0]=4 1212 B10R1.27 O=C(CO)NC1CCCC1 527a_100000211070_100000210174 [0,1,0,0,0,1|2,0,0]=4 1213 B10R1.27 O=C(CO)N[C@@H]1CCOC1 240690a_200015188469_100000210174 [0,1,0,0,0,1|1,1,0]=4 1214 B10R1.27 O=C(CO)N[C@@H]1CCOC1 527a_200015188469_100000210174 [0,1,0,0,0,1|1,1,0]=4 1215 B10R1.27 O=C(CO)N[C@H]1CCOC1 240690a_100015188467_100000210174 [0,1,0,0,0,1|1,1,0]=4 1216 B10R1.27 O=C(CO)N[C@H]1CCOC1 527a_100015188467_100000210174 [0,1,0,0,0,1|1,1,0]=4 1217 B10R1.54 CN1CCC(C1)CC(=O)O 269956a_100000719201_200000210301 [0,1,0,0,0,1|2,0,0]=4 1218 B10R1.54 [13CH3]N1CCC(C1)CC(=O)O 269956a_100000719201_200025704644 [0,1,0,0,0,1|2,0,0]=4 1219 B10R1.11 COCC(=O)C1CCCC1 1458a_100000210968_100000179811 [0,2,0,0,0,0|2,0,0]=4 1220 B10R1.11 COCC(=O)C1CCOC1 1458a_100000210968_100000690089 [0,2,0,0,0,0|1,1,0]=4 1221 B10R1.11 COCC(=O)N1CCSC1 11a_100011215254_100000210968 [0,2,0,0,0,0|2,0,0]=4 1222 B10R1.11 COCC(=O)N1CCSC1 240690a_100011215254_100000210968 [0,2,0,0,0,0|2,0,0]=4 1223 B10R1.11 COCC(=O)N1CCSC1 527a_100011215254_100000210968 [0,2,0,0,0,0|2,0,0]=4 1224 B10R1.11 O=C(CCO)C1CCCC1 1458a_100000210718_100000211926 [0,2,0,0,0,0|2,0,0]=4 1225 B10R1.11 O=C(CCO)C1CCCC1 1458a_100011216618_100000179811 [0,2,0,0,0,0|2,0,0]=4 1226 B10R1.11 O=C(CCO)C1CCCS1 1458a_100012002731_100000211926 [0,2,0,0,0,0|2,0,0]=4 1227 B10R1.11 O=C(CCO)C1CCOC1 1458a_100011216618_100000690089 [0,2,0,0,0,0|1,1,0]=4 1228 B10R1.11 O=C(CCO)C1CCOC1 1458a_100011219752_100000211926 [0,2,0,0,0,0|1,1,0]=4 1229 B10R1.11 O=C(CCO)N1CCSC1 240690a_100011215254_100011216618 [0,2,0,0,0,0|2,0,0]=4 1230 B10R1.11 O=C(CCO)[C@@H]1CCCO1 1458a_100000686382_100000211926 [0,2,0,0,0,0|2,0,0]=4 1231 B10R1.14 CCC(=O)[C@@H]1CSC(=O)N1 1458a_100000735014_100000210202 [0,2,0,0,0,0|1,0,1]=4 1232 B10R1.14 CNC(=O)[C@@H]1CSC(=O)N1 240690a_100102657272_100000735014 [0,2,0,0,0,0|1,0,1]=4 1233 B10R1.14 COC(=O)[C@@H]1CCN(C1)C 2230a_100016989057_200000210301 [0,2,0,0,0,0|2,0,0]=4 1234 B10R1.14 COC(=O)[C@@H]1CCN(C1)C 269982a_100016989057_200000210301 [0,2,0,0,0,0|2,0,0]=4 1235 B10R1.14 COC(=O)[C@@H]1CCN(C1)[13CH3] 2230a_100016989057_200025704644 [0,2,0,0,0,0|2,0,0]=4 1236 B10R1.14 COC(=O)[C@@H]1CCN(C1)[13CH3] 269982a_100016989057_200025704644 [0,2,0,0,0,0|2,0,0]=4 1237 B10R1.14 O=C1N[C@@H](CS1)C(=O)CF 1458a_100000735014_100015361967 [0,2,0,0,0,0|1,0,1]=4 1238 B10R1.149 CC1SCCN1C(=O)CO 240690a_200011216479_100000210174 [0,2,0,0,0,0|2,0,0]=4 1239 B10R1.149 CC1SCCN1C(=O)CO 527a_200011216479_100000210174 [0,2,0,0,0,0|2,0,0]=4 1240 B10R1.149 CCC(=O)[C@@H]1CCCN1C 1458a_100009816429_100000210202 [0,2,0,0,0,0|2,0,0]=4 1241 B10R1.149 CN1CCC[C@H]1C(=O)CF 1458a_100009816429_100015361967 [0,2,0,0,0,0|2,0,0]=4 1242 B10R1.149 CNC(=O)C1CSCN1C 240690a_100102657272_100020666735 [0,2,0,0,0,0|1,0,0]=3 1243 B10R1.149 CNC(=O)[C@@H]1CCCN1C 11a_106832991635_100009816429 [0,2,0,0,0,0|2,0,0]=4 1244 B10R1.149 CNC(=O)[C@@H]1CCCN1C 2230a_100015185040_200000210301 [0,2,0,0,0,0|2,0,0]=4 1245 B10R1.149 CNC(=O)[C@@H]1CCCN1C 240690a_100102657272_100009816429 [0,2,0,0,0,0|2,0,0]=4 1246 B10R1.149 CNC(=O)[C@@H]1CCCN1C 269982a_100015185040_200000210301 [0,2,0,0,0,0|2,0,0]=4 1247 B10R1.149 CNC(=O)[C@@H]1CCCN1C 34a_100015185040_200000210301 [0,2,0,0,0,0|2,0,0]=4 1248 B10R1.149 CNC(=O)[C@@H]1CCCN1C 527a_100102657272_100009816429 [0,2,0,0,0,0|2,0,0]=4 1249 B10R1.149 CNC(=O)[C@@H]1CCCN1[13CH3] 2230a_100015185040_200025704644 [0,2,0,0,0,0|2,0,0]=4 1250 B10R1.149 CNC(=O)[C@@H]1CCCN1[13CH3] 269982a_100015185040_200025704644 [0,2,0,0,0,0|2,0,0]=4 1251 B10R1.149 CNC(=O)[C@@H]1CCCN1[13CH3] 34a_100015185040_200025704644 [0,2,0,0,0,0|2,0,0]=4 1252 B10R1.149 COC(=O)C1CSCN1C 269982a_200000724679_200000210301 [0,2,0,0,0,0|0,0,0]=2 1253 B10R1.149 COC(=O)C1CSCN1[13CH3] 269982a_200000724679_200025704644 [0,2,0,0,0,0|0,0,0]=2 1254 B10R1.149 COC(=O)C1SCCN1C 2230a_100015296106_200000210301 [0,2,0,0,0,0|2,0,0]=4 1255 B10R1.149 COC(=O)C1SCCN1C 269982a_100015296106_200000210301 [0,2,0,0,0,0|2,0,0]=4 1256 B10R1.149 COC(=O)C1SCCN1[13CH3] 2230a_100015296106_200025704644 [0,2,0,0,0,0|2,0,0]=4 1257 B10R1.149 COC(=O)C1SCCN1[13CH3] 269982a_100015296106_200025704644 [0,2,0,0,0,0|2,0,0]=4 1258 B10R1.149 COC(=O)[C@@H]1CCCN1C 2230a_100000752040_200000210301 [0,2,0,0,0,0|1,0,0]=3 1259 B10R1.149 COC(=O)[C@@H]1CCCN1C 269982a_100000752040_200000210301 [0,2,0,0,0,0|1,0,0]=3 1260 B10R1.149 COC(=O)[C@@H]1CCCN1[13CH3] 2230a_100000752040_200025704644 [0,2,0,0,0,0|1,0,0]=3 1261 B10R1.149 COC(=O)[C@@H]1CCCN1[13CH3] 269982a_100000752040_200025704644 [0,2,0,0,0,0|1,0,0]=3 1262 B10R1.149 O=C(CO)C1CCCC1=O 1458a_100000210174_100000211823 [0,2,0,0,0,0|2,0,0]=4 1263 B10R1.31 CN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_200000210301 [0,2,0,0,0,0|2,0,0]=4 1264 B10R1.31 [13CH3]N[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_200025704644 [0,2,0,0,0,0|2,0,0]=4 1265 B10R1.59 CC(=O)[C@@H]1C[C@H](CN1C)O 1458a_100015191551_200000210301 [0,2,0,0,0,0|2,0,0]=4 1266 B10R1.59 CN1C[C@@H](C[C@H]1C(=O)N)O 2230a_100020587027_200000210301 [0,2,0,0,0,0|2,0,0]=4 1267 B10R1.59 CN1C[C@@H](C[C@H]1C(=O)N)O 269982a_100020587027_200000210301 [0,2,0,0,0,0|2,0,0]=4 1268 B10R1.59 CN1C[C@@H](C[C@H]1C(=O)[13CH3])O 1458a_100015191551_200025704644 [0,2,0,0,0,0|2,0,0]=4 1269 B10R1.59 CN1C[C@H](C[C@H]1C(=O)N)F 2230a_100020614896_200000210301 [0,2,0,0,0,0|2,0,0]=4 1270 B10R1.59 CN1C[C@H](C[C@H]1C(=O)N)F 269982a_100020614896_200000210301 [0,2,0,0,0,0|2,0,0]=4 1271 B10R1.59 CN1C[C@H](C[C@H]1C(=O)N)F 34a_100020614896_200000210301 [0,2,0,0,0,0|2,0,0]=4 1272 B10R1.59 CN1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_200000210301 [0,2,0,0,0,0|1,0,0]=3 1273 B10R1.59 CN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_200000210301 [0,2,0,0,0,0|1,0,0]=3 1274 B10R1.59 [13CH3]N1C[C@@H](C[C@H]1C(=O)N)O 2230a_100020587027_200025704644 [0,2,0,0,0,0|2,0,0]=4 1275 B10R1.59 [13CH3]N1C[C@@H](C[C@H]1C(=O)N)O 269982a_100020587027_200025704644 [0,2,0,0,0,0|2,0,0]=4 1276 B10R1.59 [13CH3]N1C[C@H](C[C@H]1C(=O)N)F 2230a_100020614896_200025704644 [0,2,0,0,0,0|2,0,0]=4 1277 B10R1.59 [13CH3]N1C[C@H](C[C@H]1C(=O)N)F 269982a_100020614896_200025704644 [0,2,0,0,0,0|2,0,0]=4 1278 B10R1.59 [13CH3]N1C[C@H](C[C@H]1C(=O)N)F 34a_100020614896_200025704644 [0,2,0,0,0,0|2,0,0]=4 1279 B10R1.59 [13CH3]N1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_200025704644 [0,2,0,0,0,0|1,0,0]=3 1280 B10R1.59 [13CH3]N1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_200025704644 [0,2,0,0,0,0|1,0,0]=3 1281 B10R1.39 CCN1CC=C[C@H]1C(=O)O 269956a_100000057196_100000210202 [0,2,0,0,0,0|1,0,1]=4 1282 B10R1.39 CCN1CCCC1C(=O)C 1458a_106256033941_200000210301 [0,2,0,0,0,0|2,0,0]=4 1283 B10R1.39 CCN1CCCC1C(=O)[13CH3] 1458a_106256033941_200025704644 [0,2,0,0,0,0|2,0,0]=4 1284 B10R1.39 CCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000210202 [0,2,0,0,0,0|2,0,0]=4 1285 B10R1.39 CCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210202 [0,2,0,0,0,0|1,0,0]=3 1286 B10R1.39 CCN1CCSC1C(=O)O 269956a_100000035718_100000210202 [0,2,0,0,0,0|2,0,0]=4 1287 B10R1.39 CCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000210202 [0,2,0,0,0,0|0,0,0]=2 1288 B10R1.39 O=C(O)C1SCCN1CF 269956a_100000035718_100015361967 [0,2,0,0,0,0|2,0,0]=4 1289 B10R1.39 O=C(O)[C@@H]1C=CCN1CF 269956a_100000057196_100015361967 [0,2,0,0,0,0|1,0,1]=4 1290 B10R1.39 O=C(O)[C@@H]1CCCN1CF 269956a_100000743916_100015361967 [0,2,0,0,0,0|1,0,0]=3 1291 B10R1.39 O=C(O)[C@@H]1CSCN1CF 269956a_100000743924_100015361967 [0,2,0,0,0,0|0,0,0]=2 1292 B10R1.291 CN1CCC[C@@]1(C)C(=O)O 269956a_100009816582_200000210301 [0,2,0,0,0,0|1,0,0]=3 1293 B10R1.291 C[C@]1(CCCN1[13CH3])C(=O)O 269956a_100009816582_200025704644 [0,2,0,0,0,0|1,0,0]=3 1294 B10R1.477 CNC1(CCCC1)C(=O)O 269956a_100000739329_200000210301 [0,2,0,0,0,0|2,0,0]=4 1295 B10R1.477 [13CH3]NC1(CCCC1)C(=O)O 269956a_100000739329_200025704644 [0,2,0,0,0,0|2,0,0]=4 1296 B8R1.6 CCSC1CC(=O)C1 62a_100009894365_100000210202 [0,0,1,1,0,0|2,0,0]=4 1297 B8R1.6 CSCC1CC(=O)C1 62a_100009874392_200000210301 [0,0,1,1,0,0|2,0,0]=4 1298 B8R1.6 CSCC1CC(=O)C1 62a_200000210301_100009874392 [0,0,1,1,0,0|2,0,0]=4 1299 B8R1.6 CSCN1CC(C1)O 269982a_100000749847_100011218213 [0,0,1,1,0,0|1,0,1]=4 1300 B8R1.6 O=C1CC(C1)SCF 62a_100009894365_100015361967 [0,0,1,1,0,0|2,0,0]=4 1301 B8R1.6 [13CH3]SCC1CC(=O)C1 62a_100009874392_200025704644 [0,0,1,1,0,0|2,0,0]=4 1302 B8R1.6 [13CH3]SCC1CC(=O)C1 62a_200025704644_100009874392 [0,0,1,1,0,0|2,0,0]=4 1303 B8R1.34 NC(=O)CN1CCC1 269982a_100000754969_100000187820 [0,0,1,1,0,0|2,0,0]=4 1304 B8R1.34 O=C([O-])CN1CCC1 269982a_100000754969_100020667443 [0,0,1,1,0,0|1,0,1]=4 1305 B8R1.35 NC(=O)CNC1CC1 34a_100000212008_100000187820 [0,0,1,1,0,0|2,0,0]=4 1306 B8R1.35 O=C(O)CNC1CC1 269956a_100016091260_100000211595 [0,0,1,1,0,0|1,0,0]=3 1307 B8R1.35 O=C([O-])CNC1CC1 34a_100000212008_100020667443 [0,0,1,1,0,0|1,0,1]=4 1308 B8R1.63 CNC1(CC1)C(=O)N 2230a_100000687655_200000210301 [0,0,1,1,0,0|2,0,0]=4 1309 B8R1.63 CNC1(CC1)C(=O)N 34a_100102657272_100010760883 [0,0,1,1,0,0|2,0,0]=4 1310 B8R1.63 CNC1(CC1)C(=O)N 7a_106832991635_100010760883 [0,0,1,1,0,0|2,0,0]=4 1311 B8R1.63 CNC1(CC1)C(=O)O 269956a_100000746478_200000210301 [0,0,1,1,0,0|1,0,0]=3 1312 B8R1.63 [13CH3]NC1(CC1)C(=O)N 2230a_100000687655_200025704644 [0,0,1,1,0,0|2,0,0]=4 1313 B8R1.63 [13CH3]NC1(CC1)C(=O)O 269956a_100000746478_200025704644 [0,0,1,1,0,0|1,0,0]=3 1314 B6R1.6 COC1CSC1 7a_100000072292_200000210301 [1,0,0,0,1,0|2,0,0]=4 1315 B6R1.6 [13CH3]OC1CSC1 7a_100000072292_200025704644 [1,0,0,0,1,0|2,0,0]=4 1316 B6R1.11 CC(=O)C1CC1 1458a_100000210395_200000210301 [0,0,0,0,2,0|1,0,0]=3 1317 B6R1.11 CC(=O)C1CO1 1458a_100000701028_200000210301 [0,0,0,0,2,0|1,1,0]=4 1318 B6R1.11 [13CH3]C(=O)C1CC1 1458a_100000210395_200025704644 [0,0,0,0,2,0|1,0,0]=3 1319 B6R1.11 [13CH3]C(=O)C1CO1 1458a_100000701028_200025704644 [0,0,0,0,2,0|1,1,0]=4 1320 B8R0.16 CC[C@H](CC(=O)O)NC 269956a_100016995926_200000210301 [0,0,1,0,0,1|1,0,0]=3 1321 B8R0.16 CC[C@H](CC(=O)O)N[13CH3] 269956a_100016995926_200025704644 [0,0,1,0,0,1|1,0,0]=3 1322 B8R0.16 CN[C@H](CO)CC(=O)O 269956a_100009816507_200000210301 [0,0,1,0,0,1|0,1,0]=3 1323 B8R0.16 [13CH3]N[C@H](CO)CC(=O)O 269956a_100009816507_200025704644 [0,0,1,0,0,1|0,1,0]=3 1324 B10R1.18 CC(=O)NC1CCSCC1 11a_100000748639_100015343762 [0,0,0,0,0,2|2,0,0]=4 1325 B10R1.18 CC(=O)NC1CCSCC1 1626a_100000748639_100015343762 [0,0,0,0,0,2|2,0,0]=4 1326 B10R1.18 CC(=O)NC1CCSCC1 240690a_100000748639_100015343762 [0,0,0,0,0,2|2,0,0]=4 1327 B10R1.18 CC(=O)NC1CCSCC1 527a_100000748639_100103153847 [0,0,0,0,0,2|2,0,0]=4 1328 B10R1.66 CC(=O)NNC1CCSC1 22a_200000731317_100000070787 [0,0,0,0,0,2|2,0,0]=4 1329 B10R1.66 NC(=O)COC1CCSC1 7a_100011232664_100000187820 [0,0,0,0,0,2|2,0,0]=4 1330 B10R1.66 O=C(O)CNC1CCCC1 269956a_100016091260_100000179811 [0,0,0,0,0,2|2,0,0]=4 1331 B10R1.66 O=C(O)CNC1CCOC1 269956a_100016091260_100000731011 [0,0,0,0,0,2|1,1,0]=4