0 B11R1.20 C=C(C)CN1CCC(=C)CC1 2230a_100000752442_100000748629 [0,0,0,0,0,0|4,0,0]=4 1 B11R1.20 C=C(C)CN1CCC(=C)CC1 269982a_100000752442_100000748629 [0,0,0,0,0,0|4,0,0]=4 2 B11R1.20 C=C(C)CN1CCC(=C)CC1 34a_100000752442_100000748629 [0,0,0,0,0,0|4,0,0]=4 3 B11R1.20 C=C(C)CN1CCS(=O)CC1 2230a_100000752083_100000748629 [0,0,0,0,0,0|4,0,0]=4 4 B11R1.20 C=C(C)CN1CCS(=O)CC1 269982a_100000752083_100000748629 [0,0,0,0,0,0|4,0,0]=4 5 B11R1.20 C=C1CCN(CC1)CC(=O)N 2230a_100000752442_100000747473 [0,0,0,0,0,0|4,0,0]=4 6 B11R1.20 C=C1CCN(CC1)CC(=O)N 269982a_100000752442_100000187820 [0,0,0,0,0,0|4,0,0]=4 7 B11R1.20 C=C1CCN(CC1)CC(=O)N 34a_100000752442_100000187820 [0,0,0,0,0,0|4,0,0]=4 8 B11R1.20 C=C1CCN(CC1)CC(=O)[O-] 269982a_100000752442_100020667443 [0,0,0,0,0,0|4,0,0]=4 9 B11R1.20 C=C1CCN(CC1)CC(=O)[O-] 34a_100000752442_100020667443 [0,0,0,0,0,0|4,0,0]=4 10 B11R1.20 CC(=O)C=C1CCC(CC1)C 1458a_100000756110_200000210301 [0,0,0,0,0,0|2,0,2]=4 11 B11R1.20 CC(=O)C=C1CCN(CC1)C 1458a_100000699038_200000210301 [0,0,0,0,0,0|3,0,1]=4 12 B11R1.20 CC(=O)CC1CCC(CC1)C 1458a_100011215564_200000210301 [0,0,0,0,0,0|2,0,1]=3 13 B11R1.20 CC(=O)CC1CCC(CC1)O 1458a_100012184027_200000210301 [0,0,0,0,0,0|1,0,2]=3 14 B11R1.20 CC(=O)CC1CCN(CC1)C 1458a_100000700355_200000210301 [0,0,0,0,0,0|3,0,0]=3 15 B11R1.20 CC(=O)CN1CCC(CC1)C 1458a_100000238061_200000210301 [0,0,0,0,0,0|3,0,1]=4 16 B11R1.20 CC(=O)CN1CCN(CC1)C 1458a_100000753313_200000210301 [0,0,0,0,0,0|4,0,0]=4 17 B11R1.20 CC(=O)NC1CCC(=O)NC1 11a_100000748762_100015343762 [0,0,0,0,0,0|1,0,0]=1 18 B11R1.20 CC(=O)NC1CCC(=O)NC1 1626a_100000748762_100015343762 [0,0,0,0,0,0|1,0,0]=1 19 B11R1.20 CC(=O)NC1CCC(=O)NC1 240690a_100000748762_100015343762 [0,0,0,0,0,0|1,0,0]=1 20 B11R1.20 CC(=O)NC1CCC(=O)NC1 527a_100000748762_100103153847 [0,0,0,0,0,0|1,0,0]=1 21 B11R1.20 CC(=O)NC1CCN(CC1)C 11a_100000198570_100015343762 [0,0,0,0,0,0|2,0,0]=2 22 B11R1.20 CC(=O)NC1CCN(CC1)C 2230a_100000747453_200000210301 [0,0,0,0,0,0|2,0,0]=2 23 B11R1.20 CC(=O)NC1CCN(CC1)C 240690a_100000198570_100015343762 [0,0,0,0,0,0|2,0,0]=2 24 B11R1.20 CC(=O)NC1CCN(CC1)C 269982a_100000747453_200000210301 [0,0,0,0,0,0|2,0,0]=2 25 B11R1.20 CC(=O)NC1CCN(CC1)C 527a_100000198570_100103153847 [0,0,0,0,0,0|2,0,0]=2 26 B11R1.20 CC(=O)NC1CCN(CC1)[13CH3] 2230a_100000747453_200025704644 [0,0,0,0,0,0|2,0,0]=2 27 B11R1.20 CC(=O)NC1CCN(CC1)[13CH3] 269982a_100000747453_200025704644 [0,0,0,0,0,0|2,0,0]=2 28 B11R1.20 CC(=O)N[C@H]1CC[C@@H](CC1)C 1626a_100020625639_100015343762 [0,0,0,0,0,0|1,0,1]=2 29 B11R1.20 CC(=O)N[C@H]1CC[C@@H](CC1)C 240690a_100020625639_100015343762 [0,0,0,0,0,0|1,0,1]=2 30 B11R1.20 CC(=O)N[C@H]1CC[C@@H](CC1)C 527a_100020625639_100103153847 [0,0,0,0,0,0|1,0,1]=2 31 B11R1.20 CC(=O)N[C@H]1CC[C@H](CC1)O 1626a_100020628982_100015343762 [0,0,0,0,0,0|0,0,2]=2 32 B11R1.20 CC(=O)N[C@H]1CC[C@H](CC1)O 240690a_100020628982_100015343762 [0,0,0,0,0,0|0,0,2]=2 33 B11R1.20 CC(C)NC1CCC(=O)NC1 2230a_100000748762_100000210206 [0,0,0,0,0,0|2,0,1]=3 34 B11R1.20 CC(C)NC1CCC(=O)NC1 34a_100000748762_100000210206 [0,0,0,0,0,0|2,0,1]=3 35 B11R1.20 CC(C)N[C@H]1CC[C@@H](CC1)C 2230a_100020625639_100000210206 [0,0,0,0,0,0|2,0,2]=4 36 B11R1.20 CC(C)N[C@H]1CC[C@@H](CC1)C 34a_100020625639_100000210206 [0,0,0,0,0,0|2,0,2]=4 37 B11R1.20 CC(C)OC1CCC(=O)CC1 34a_100000764474_100000210206 [0,0,0,0,0,0|2,0,1]=3 38 B11R1.20 CC(C)OC1CCC(=O)CC1 7a_100000764474_100000210206 [0,0,0,0,0,0|2,0,1]=3 39 B11R1.20 CC(C)OC1CCC(=O)NC1 34a_100000079199_100000210206 [0,0,0,0,0,0|3,0,1]=4 40 B11R1.20 CC1CCC(=CC(=O)[13CH3])CC1 1458a_100000756110_200025704644 [0,0,0,0,0,0|2,0,2]=4 41 B11R1.20 CC1CCC(CC1)CC(=O)[13CH3] 1458a_100011215564_200025704644 [0,0,0,0,0,0|2,0,1]=3 42 B11R1.20 CC1CCC(CC1)NC(C)C 34a_100138425928_200011216234 [0,0,0,0,0,0|2,0,2]=4 43 B11R1.20 CC1CCN(CC1)CC(=O)[13CH3] 1458a_100000238061_200025704644 [0,0,0,0,0,0|3,0,1]=4 44 B11R1.20 CN1CCC(=CC(=O)[13CH3])CC1 1458a_100000699038_200025704644 [0,0,0,0,0,0|3,0,1]=4 45 B11R1.20 CN1CCC(CC1)CC(=O)N 2230a_100011221598_200000210301 [0,0,0,0,0,0|4,0,0]=4 46 B11R1.20 CN1CCC(CC1)CC(=O)N 34a_100011221598_200000210301 [0,0,0,0,0,0|4,0,0]=4 47 B11R1.20 CN1CCC(CC1)CC(=O)[13CH3] 1458a_100000700355_200025704644 [0,0,0,0,0,0|3,0,0]=3 48 B11R1.20 CN1CCC(CC1)NC(=O)N 2230a_100000751166_200000210301 [0,0,0,0,0,0|3,0,0]=3 49 B11R1.20 CN1CCN(CC1)CC(=O)[13CH3] 1458a_100000753313_200025704644 [0,0,0,0,0,0|4,0,0]=4 50 B11R1.20 NC(=O)CN1CCS(=O)CC1 2230a_100000752083_100000747473 [0,0,0,0,0,0|4,0,0]=4 51 B11R1.20 NC(=O)CN1CCS(=O)CC1 269982a_100000752083_100000187820 [0,0,0,0,0,0|4,0,0]=4 52 B11R1.20 O=C([O-])CN1CCS(=O)CC1 269982a_100000752083_100020667443 [0,0,0,0,0,0|4,0,0]=4 53 B11R1.20 [13CH3]C(=O)CC1CCC(CC1)O 1458a_100012184027_200025704644 [0,0,0,0,0,0|1,0,2]=3 54 B11R1.20 [13CH3]N1CCC(CC1)CC(=O)N 2230a_100011221598_200025704644 [0,0,0,0,0,0|4,0,0]=4 55 B11R1.20 [13CH3]N1CCC(CC1)CC(=O)N 34a_100011221598_200025704644 [0,0,0,0,0,0|4,0,0]=4 56 B11R1.20 [13CH3]N1CCC(CC1)NC(=O)N 2230a_100000751166_200025704644 [0,0,0,0,0,0|3,0,0]=3 57 B10R1.1 C=C1CCC(CC1)COC 34a_100000074039_200000210301 [1,0,0,0,0,0|3,0,0]=4 58 B10R1.1 C=C1CCC(CC1)CO[13CH3] 34a_100000074039_200025704644 [1,0,0,0,0,0|3,0,0]=4 59 B10R1.1 C=C1CCC(CC1)NCC 270004a_100015525214_100010272673 [1,0,0,0,0,0|1,0,1]=3 60 B10R1.1 C=C1CCN(CC1)CC=O 2230a_100000752442_200015260668 [1,0,0,0,0,0|3,0,0]=4 61 B10R1.1 C=C1CCN(CC1)CC=O 269982a_100000752442_200015260668 [1,0,0,0,0,0|3,0,0]=4 62 B10R1.1 C=C1CCN(CC1)CC=O 34a_100000752442_200009817547 [1,0,0,0,0,0|3,0,0]=4 63 B10R1.1 CCNC1CCC(=O)NC1 2230a_100000748762_100000210202 [1,0,0,0,0,0|1,0,1]=3 64 B10R1.1 CCNC1CCC(=O)NC1 34a_100000748762_100000210202 [1,0,0,0,0,0|1,0,1]=3 65 B10R1.1 CCNC1CCC(CC1)C 270004a_100015525214_100000185489 [1,0,0,0,0,0|1,0,2]=4 66 B10R1.1 CCNC1CCC(CC1)O 270004a_100015525214_100000764474 [1,0,0,0,0,0|0,0,3]=4 67 B10R1.1 CCNC1CCN(CC1)C 270004a_100015525214_100000210137 [1,0,0,0,0,0|2,0,1]=4 68 B10R1.1 CCN[C@H]1CC[C@@H](CC1)C 2230a_100020625639_100000210202 [1,0,0,0,0,0|1,0,2]=4 69 B10R1.1 CCN[C@H]1CC[C@@H](CC1)C 34a_100020625639_100000210202 [1,0,0,0,0,0|1,0,2]=4 70 B10R1.1 CCOC1CCC(=O)CC1 34a_100000764474_100000210202 [1,0,0,0,0,0|1,0,1]=3 71 B10R1.1 CCOC1CCC(=O)CC1 7a_100000764474_100000210202 [1,0,0,0,0,0|1,0,1]=3 72 B10R1.1 CCOC1CCC(=O)NC1 34a_100000079199_100000210202 [1,0,0,0,0,0|2,0,1]=4 73 B10R1.1 COCC1CCC(=O)CC1 34a_100000062911_200000210301 [1,0,0,0,0,0|2,0,0]=3 74 B10R1.1 O=C1CCC(CC1)OCF 34a_100000764474_100015361967 [1,0,0,0,0,0|2,0,1]=4 75 B10R1.1 O=C1CCC(CC1)OCF 7a_100000764474_100015361967 [1,0,0,0,0,0|2,0,1]=4 76 B10R1.1 O=C1CCC(CN1)NCF 34a_100000748762_100015361967 [1,0,0,0,0,0|2,0,1]=4 77 B10R1.1 O=CCN1CCS(=O)CC1 2230a_100000752083_200015260668 [1,0,0,0,0,0|3,0,0]=4 78 B10R1.1 O=CCN1CCS(=O)CC1 269982a_100000752083_200015260668 [1,0,0,0,0,0|3,0,0]=4 79 B10R1.1 [13CH3]OCC1CCC(=O)CC1 34a_100000062911_200025704644 [1,0,0,0,0,0|2,0,0]=3 80 B10R1.18 CC(=O)C=C1CCCCC1 1458a_100000743792_200000210301 [1,0,0,0,0,0|1,0,2]=4 81 B10R1.18 CC(=O)C=C1CCOCC1 1458a_100000761426_200000210301 [1,0,0,0,0,0|2,0,1]=4 82 B10R1.18 CC(=O)CC1CCCCC1 1458a_100000070787_100000211423 [1,0,0,0,0,0|1,0,1]=3 83 B10R1.18 CC(=O)CC1CCCCC1 1458a_100000211666_200000210301 [1,0,0,0,0,0|1,0,1]=3 84 B10R1.18 CC(=O)CC1CCCCO1 1458a_100000070787_100000211543 [1,0,0,0,0,0|2,0,1]=4 85 B10R1.18 CC(=O)CC1CCCCO1 1458a_100000238585_200000210301 [1,0,0,0,0,0|2,0,1]=4 86 B10R1.18 CC(=O)CC1CCCOC1 1458a_100000070787_100000741521 [1,0,0,0,0,0|2,0,1]=4 87 B10R1.18 CC(=O)CC1CCCOC1 1458a_100000741523_200000210301 [1,0,0,0,0,0|2,0,1]=4 88 B10R1.18 CC(=O)CC1CCOCC1 1458a_100000070787_100000754603 [1,0,0,0,0,0|2,0,0]=3 89 B10R1.18 CC(=O)CC1CCOCC1 1458a_100000757261_200000210301 [1,0,0,0,0,0|2,0,0]=3 90 B10R1.18 CC(=O)CN1CCCCC1 1458a_100000740322_200000210301 [1,0,0,0,0,0|2,0,1]=4 91 B10R1.18 CC(=O)CN1CCOCC1 1458a_100000740321_200000210301 [1,0,0,0,0,0|3,0,0]=4 92 B10R1.18 CC(=O)NC1CCCCC1 11a_100000182618_100015343762 [1,0,0,0,0,0|0,0,1]=2 93 B10R1.18 CC(=O)NC1CCCCC1 1626a_100000182618_100015343762 [1,0,0,0,0,0|0,0,1]=2 94 B10R1.18 CC(=O)NC1CCCCC1 240690a_100000182618_100015343762 [1,0,0,0,0,0|0,0,1]=2 95 B10R1.18 CC(=O)NC1CCCCC1 527a_100000182618_100103153847 [1,0,0,0,0,0|0,0,1]=2 96 B10R1.18 CC(=O)NC1CCCOC1 11a_100000719290_100015343762 [1,0,0,0,0,0|1,0,1]=3 97 B10R1.18 CC(=O)NC1CCCOC1 1626a_100000719290_100015343762 [1,0,0,0,0,0|1,0,1]=3 98 B10R1.18 CC(=O)NC1CCCOC1 240690a_100000719290_100015343762 [1,0,0,0,0,0|1,0,1]=3 99 B10R1.18 CC(=O)NC1CCCOC1 527a_100000719290_100103153847 [1,0,0,0,0,0|1,0,1]=3 100 B10R1.18 CC(=O)NC1CCOCC1 11a_100000741149_100015343762 [1,0,0,0,0,0|1,0,0]=2 101 B10R1.18 CC(=O)NC1CCOCC1 1626a_100000741149_100015343762 [1,0,0,0,0,0|1,0,0]=2 102 B10R1.18 CC(=O)NC1CCOCC1 240690a_100000741149_100015343762 [1,0,0,0,0,0|1,0,0]=2 103 B10R1.18 CC(=O)NC1CCOCC1 527a_100000741149_100103153847 [1,0,0,0,0,0|1,0,0]=2 104 B10R1.18 CC(=O)NC1CCSCC1 11a_100000748639_100015343762 [1,0,0,0,0,0|1,0,0]=2 105 B10R1.18 CC(=O)NC1CCSCC1 1626a_100000748639_100015343762 [1,0,0,0,0,0|1,0,0]=2 106 B10R1.18 CC(=O)NC1CCSCC1 240690a_100000748639_100015343762 [1,0,0,0,0,0|1,0,0]=2 107 B10R1.18 CC(=O)NC1CCSCC1 527a_100000748639_100103153847 [1,0,0,0,0,0|1,0,0]=2 108 B10R1.18 CC(C)NC1CCCCC1 2230a_100000182618_100000210206 [1,0,0,0,0,0|1,0,2]=4 109 B10R1.18 CC(C)NC1CCCCC1 34a_100000182618_100000210206 [1,0,0,0,0,0|1,0,2]=4 110 B10R1.18 CC(C)NC1CCCCC1 34a_100138425928_100000210327 [1,0,0,0,0,0|1,0,2]=4 111 B10R1.18 CC(C)NC1CCOCC1 2230a_100000741149_100000210206 [1,0,0,0,0,0|2,0,1]=4 112 B10R1.18 CC(C)NC1CCOCC1 34a_100000741149_100000210206 [1,0,0,0,0,0|2,0,1]=4 113 B10R1.18 CC(C)NC1CCSCC1 2230a_100000748639_100000210206 [1,0,0,0,0,0|2,0,1]=4 114 B10R1.18 CC(C)NC1CCSCC1 34a_100000748639_100000210206 [1,0,0,0,0,0|2,0,1]=4 115 B10R1.18 CC(C)NC1CCSCC1 34a_100138425928_100000069128 [1,0,0,0,0,0|2,0,1]=4 116 B10R1.18 [13CH3]C(=O)C=C1CCCCC1 1458a_100000743792_200025704644 [1,0,0,0,0,0|1,0,2]=4 117 B10R1.18 [13CH3]C(=O)C=C1CCOCC1 1458a_100000761426_200025704644 [1,0,0,0,0,0|2,0,1]=4 118 B10R1.18 [13CH3]C(=O)CC1CCCCC1 1458a_100000211666_200025704644 [1,0,0,0,0,0|1,0,1]=3 119 B10R1.18 [13CH3]C(=O)CC1CCCCO1 1458a_100000238585_200025704644 [1,0,0,0,0,0|2,0,1]=4 120 B10R1.18 [13CH3]C(=O)CC1CCCOC1 1458a_100000741523_200025704644 [1,0,0,0,0,0|2,0,1]=4 121 B10R1.18 [13CH3]C(=O)CC1CCOCC1 1458a_100000757261_200025704644 [1,0,0,0,0,0|2,0,0]=3 122 B10R1.18 [13CH3]C(=O)CN1CCCCC1 1458a_100000740322_200025704644 [1,0,0,0,0,0|2,0,1]=4 123 B10R1.18 [13CH3]C(=O)CN1CCOCC1 1458a_100000740321_200025704644 [1,0,0,0,0,0|3,0,0]=4 124 B12R1.4 CC(=O)NC1CCC(CC1)C#N 11a_100102422146_100015343762 [0,1,0,0,0,0|1,0,1]=3 125 B12R1.4 CC(=O)NC1CCC(CC1)C#N 1626a_100102422146_100015343762 [0,1,0,0,0,0|1,0,1]=3 126 B12R1.4 CC(=O)NC1CCC(CC1)C#N 240690a_100102422146_100015343762 [0,1,0,0,0,0|1,0,1]=3 127 B12R1.4 CC(=O)NC1CCC(CC1)C#N 527a_100102422146_100103153847 [0,1,0,0,0,0|1,0,1]=3 128 B12R1.4 CC(=O)NC1CCC(CC1)O[13CH3] 34a_100000161027_200025704644 [0,1,0,0,0,0|0,0,2]=3 129 B12R1.4 CC(=O)NC1CCC(CC1)O[13CH3] 7a_100000161027_200025704644 [0,1,0,0,0,0|0,0,2]=3 130 B12R1.4 CC(=O)NC1CCN(CC1)CF 269982a_100000747453_100015361967 [0,1,0,0,0,0|2,0,0]=3 131 B12R1.4 CC(=O)N[C@H]1CC[C@@H](CC1)CO 240690a_100009821084_100015343762 [0,1,0,0,0,0|0,0,2]=3 132 B12R1.4 CC(=O)N[C@H]1CC[C@@H](CC1)CO 527a_100009821084_100103153847 [0,1,0,0,0,0|0,0,2]=3 133 B12R1.4 CCC1CCC(CC1)NC(=O)C 11a_100011194317_100015343762 [0,1,0,0,0,0|1,0,1]=3 134 B12R1.4 CCC1CCC(CC1)NC(=O)C 1626a_100011194317_100015343762 [0,1,0,0,0,0|1,0,1]=3 135 B12R1.4 CCC1CCC(CC1)NC(=O)C 240690a_100011194317_100015343762 [0,1,0,0,0,0|1,0,1]=3 136 B12R1.4 CCC1CCC(CC1)NC(=O)C 527a_100011194317_100103153847 [0,1,0,0,0,0|1,0,1]=3 137 B12R1.4 CCN1CCC(CC1)CC(=O)C 1458a_200015183082_200000210301 [0,1,0,0,0,0|3,0,0]=4 138 B12R1.4 CCN1CCC(CC1)CC(=O)[13CH3] 1458a_200015183082_200025704644 [0,1,0,0,0,0|3,0,0]=4 139 B12R1.4 CCN1CCC(CC1)NC(=O)C 11a_100000199033_100015343762 [0,1,0,0,0,0|2,0,0]=3 140 B12R1.4 CCN1CCC(CC1)NC(=O)C 1626a_100000199033_100015343762 [0,1,0,0,0,0|2,0,0]=3 141 B12R1.4 CCN1CCC(CC1)NC(=O)C 2230a_100000747453_100000210202 [0,1,0,0,0,0|2,0,0]=3 142 B12R1.4 CCN1CCC(CC1)NC(=O)C 240690a_100000199033_100015343762 [0,1,0,0,0,0|2,0,0]=3 143 B12R1.4 CCN1CCC(CC1)NC(=O)C 269982a_100000747453_100000204670 [0,1,0,0,0,0|2,0,0]=3 144 B12R1.4 CCN1CCC(CC1)NC(=O)C 527a_100000199033_100103153847 [0,1,0,0,0,0|2,0,0]=3 145 B12R1.4 CCN1CCC(CC1)NC(=O)N 2230a_100000751166_100000210202 [0,1,0,0,0,0|3,0,0]=4 146 B12R1.4 CNC1CCC(CC1)NC(=O)C 270004a_106832991635_100000735651 [0,1,0,0,0,0|1,0,1]=3 147 B12R1.4 CNC1CCC(CC1)OC(=O)C 270004a_106832991635_200000086378 [0,1,0,0,0,0|2,0,1]=4 148 B12R1.4 COC1CCC(CC1)CC(=O)C 1458a_100000070787_100013032858 [0,1,0,0,0,0|1,0,2]=4 149 B12R1.4 COC1CCC(CC1)NC(=O)C 11a_100015205214_100015343762 [0,1,0,0,0,0|0,0,2]=3 150 B12R1.4 COC1CCC(CC1)NC(=O)C 1626a_100015205214_100015343762 [0,1,0,0,0,0|0,0,2]=3 151 B12R1.4 COC1CCC(CC1)NC(=O)C 240690a_100015205214_100015343762 [0,1,0,0,0,0|0,0,2]=3 152 B12R1.4 COC1CCC(CC1)NC(=O)C 34a_100000161027_200000210301 [0,1,0,0,0,0|0,0,2]=3 153 B12R1.4 COC1CCC(CC1)NC(=O)C 527a_100015205214_100103153847 [0,1,0,0,0,0|0,0,2]=3 154 B12R1.4 COC1CCC(CC1)NC(=O)C 7a_100000161027_200000210301 [0,1,0,0,0,0|0,0,2]=3 155 B12R1.19 CC(=O)NC1CCC(=O)N(C1)C 11a_100011935005_100015343762 [0,1,0,0,0,0|1,0,0]=2 156 B12R1.19 CC(=O)NC1CCC(=O)N(C1)C 1626a_100011935005_100015343762 [0,1,0,0,0,0|1,0,0]=2 157 B12R1.19 CC(=O)NC1CCC(=O)N(C1)C 240690a_100011935005_100015343762 [0,1,0,0,0,0|1,0,0]=2 158 B12R1.19 CC(=O)NC1CCC(=O)N(C1)C 527a_100011935005_100103153847 [0,1,0,0,0,0|1,0,0]=2 159 B12R1.19 CC(=O)NC1CCN(C(=O)C1)C 11a_100000126938_100015343762 [0,1,0,0,0,0|2,0,1]=4 160 B12R1.19 CC(=O)NC1CCN(C(=O)C1)C 1626a_100000126938_100015343762 [0,1,0,0,0,0|2,0,1]=4 161 B12R1.19 CC(=O)NC1CCN(C(=O)C1)C 240690a_100000126938_100015343762 [0,1,0,0,0,0|2,0,1]=4 162 B12R1.19 CC(=O)NC1CCN(C(=O)C1)C 527a_100000126938_100103153847 [0,1,0,0,0,0|2,0,1]=4 163 B12R1.19 CC(=O)NC1CCN(C(C1)C)C 1626a_200000760522_100015343762 [0,1,0,0,0,0|2,0,0]=3 164 B12R1.19 CC(=O)NC1CCN(C(C1)C)C 240690a_200000760522_100015343762 [0,1,0,0,0,0|2,0,0]=3 165 B12R1.19 CC(=O)NC1CCN(C(C1)C)C 527a_200000760522_100103153847 [0,1,0,0,0,0|2,0,0]=3 166 B12R1.19 CC(C)NC1CCC(=O)N(C1)C 2230a_100011935005_100000210206 [0,1,0,0,0,0|2,0,1]=4 167 B12R1.19 CC(C)NC1CCC(=O)N(C1)C 34a_100011935005_100000210206 [0,1,0,0,0,0|2,0,1]=4 168 B12R1.20 C=C1CCC(CC1)N(C)C(C)C 270004a_200000211004_100010272673 [0,1,0,0,0,0|2,0,1]=4 169 B12R1.20 C=C1CCN(CC1)C(C)C(=O)C 2230a_100000752442_100009814033 [0,1,0,0,0,0|3,0,0]=4 170 B12R1.20 C=C1CCN(CC1)C(C)C(=O)C 269982a_100000752442_100009814033 [0,1,0,0,0,0|3,0,0]=4 171 B12R1.20 CC(=O)C(C)N1CCS(=O)CC1 2230a_100000752083_100009814033 [0,1,0,0,0,0|3,0,0]=4 172 B12R1.20 CC(=O)C(C)N1CCS(=O)CC1 269982a_100000752083_100009814033 [0,1,0,0,0,0|3,0,0]=4 173 B12R1.20 CC(=O)N(C)C1CCN(CC1)C 11a_100025768347_100015343762 [0,1,0,0,0,0|2,0,0]=3 174 B12R1.20 CC(=O)N(C)C1CCN(CC1)C 2230a_100000745782_200000210301 [0,1,0,0,0,0|2,0,0]=3 175 B12R1.20 CC(=O)N(C)C1CCN(CC1)C 240690a_100025768347_100015343762 [0,1,0,0,0,0|2,0,0]=3 176 B12R1.20 CC(=O)N(C)C1CCN(CC1)C 269982a_100000745782_200000210301 [0,1,0,0,0,0|2,0,0]=3 177 B12R1.20 CC(=O)N(C)C1CCN(CC1)C 527a_100025768347_100103153847 [0,1,0,0,0,0|2,0,0]=3 178 B12R1.20 CC(=O)N(C)C1CCN(CC1)[13CH3] 2230a_100000745782_200025704644 [0,1,0,0,0,0|2,0,0]=3 179 B12R1.20 CC(=O)N(C)C1CCN(CC1)[13CH3] 269982a_100000745782_200025704644 [0,1,0,0,0,0|2,0,0]=3 180 B12R1.20 CC(=O)N(C)[C@H]1CC[C@H](CC1)O 11a_100020636401_100015343762 [0,1,0,0,0,0|0,0,2]=3 181 B12R1.20 CC(=O)N(C)[C@H]1CC[C@H](CC1)O 1626a_100020636401_100015343762 [0,1,0,0,0,0|0,0,2]=3 182 B12R1.20 CC(=O)N(C)[C@H]1CC[C@H](CC1)O 240690a_100020636401_100015343762 [0,1,0,0,0,0|0,0,2]=3 183 B12R1.20 CC(=O)N(C)[C@H]1CC[C@H](CC1)O 527a_100020636401_100103153847 [0,1,0,0,0,0|0,0,2]=3 184 B12R1.49 C#CC(C)NC1CCC(=C)CC1 270004a_100000707721_100010272673 [0,1,0,0,0,0|2,0,1]=4 185 B12R1.49 C#CC(C)NC1CCC(=O)NC1 34a_100000748762_200000035995 [0,1,0,0,0,0|2,0,1]=4 186 B12R1.49 C#CC(C)OC1CCC(=O)CC1 34a_100000764474_200000035995 [0,1,0,0,0,0|2,0,1]=4 187 B12R1.49 C=C1CCC(CC1)NC(C)CC 270004a_100000209981_100010272673 [0,1,0,0,0,0|2,0,1]=4 188 B12R1.49 C=C1CCC(CC1)N[C@H](C)CF 270004a_100102880703_100010272673 [0,1,0,0,0,0|2,0,1]=4 189 B12R1.49 C=C1CCC(CC1)N[C@H](C)CO 270004a_100000737577_100010272673 [0,1,0,0,0,0|1,0,2]=4 190 B12R1.49 C=C1CCN(CC1)CC(=O)CC 269982a_100000752442_100000747405 [0,1,0,0,0,0|3,0,0]=4 191 B12R1.49 C=C1CCN(CC1)CC(=O)NC 2230a_100000752442_100000183359 [0,1,0,0,0,0|3,0,0]=4 192 B12R1.49 C=C1CCN(CC1)CC(=O)NC 269982a_100000752442_100000183359 [0,1,0,0,0,0|3,0,0]=4 193 B12R1.49 C=C1CCN(CC1)CC(=O)NC 34a_100000752442_100000183359 [0,1,0,0,0,0|3,0,0]=4 194 B12R1.49 C=C1CCN(CC1)CC(=O)OC 2230a_100000752442_100000747449 [0,1,0,0,0,0|3,0,0]=4 195 B12R1.49 C=C1CCN(CC1)CC(=O)OC 269982a_100000752442_100000747449 [0,1,0,0,0,0|3,0,0]=4 196 B12R1.49 C=C1CCN(CC1)CC(=O)OC 34a_100000752442_100000747449 [0,1,0,0,0,0|3,0,0]=4 197 B12R1.49 C=CC(=O)NC1CCC(=O)NC1 1626a_100000748762_100000185746 [0,1,0,0,0,0|1,0,1]=3 198 B12R1.49 C=CC(=O)NC1CCC(=O)NC1 240690a_100000748762_200121576911 [0,1,0,0,0,0|1,0,1]=3 199 B12R1.49 C=CC(=O)NC1CCN(CC1)C 240690a_100000198570_200121576911 [0,1,0,0,0,0|2,0,1]=4 200 B12R1.49 C=CC(=O)N[C@H]1CC[C@@H](CC1)C 1626a_100020625639_100000185746 [0,1,0,0,0,0|1,0,2]=4 201 B12R1.49 C=CC(=O)N[C@H]1CC[C@@H](CC1)C 240690a_100020625639_200121576911 [0,1,0,0,0,0|1,0,2]=4 202 B12R1.49 C=CC(=O)N[C@H]1CC[C@H](CC1)O 1626a_100020628982_100000185746 [0,1,0,0,0,0|0,0,3]=4 203 B12R1.49 C=CC(=O)N[C@H]1CC[C@H](CC1)O 240690a_100020628982_200121576911 [0,1,0,0,0,0|0,0,3]=4 204 B12R1.49 CC(C#N)NC1CCC(=O)NC1 2230a_100000748762_100000184139 [0,1,0,0,0,0|2,0,1]=4 205 B12R1.49 CC(C#N)OC1CCC(=O)CC1 7a_100000764474_100000703298 [0,1,0,0,0,0|2,0,1]=4 206 B12R1.49 CC(CO)NC1CCC(=O)NC1 2230a_100000748762_100012180447 [0,1,0,0,0,0|1,0,2]=4 207 B12R1.49 CC(CO)NC1CCC(=O)NC1 34a_100000748762_100012180447 [0,1,0,0,0,0|1,0,2]=4 208 B12R1.49 CC(CO)OC1CCC(=O)CC1 34a_100000764474_100012180447 [0,1,0,0,0,0|1,0,2]=4 209 B12R1.49 CC(CO)OC1CCC(=O)CC1 7a_100000764474_100012180447 [0,1,0,0,0,0|1,0,2]=4 210 B12R1.49 CC1CCC(CC1)CC(=O)CF 1458a_100011215564_100015361967 [0,1,0,0,0,0|2,0,1]=4 211 B12R1.49 CCC(=O)CC1CCC(CC1)C 1458a_100011215564_100000210202 [0,1,0,0,0,0|2,0,1]=4 212 B12R1.49 CCC(=O)CC1CCC(CC1)O 1458a_100012184027_100000210202 [0,1,0,0,0,0|1,0,2]=4 213 B12R1.49 CCC(=O)CC1CCN(CC1)C 1458a_100000700355_100000210202 [0,1,0,0,0,0|3,0,0]=4 214 B12R1.49 CCC(=O)CN1CCS(=O)CC1 269982a_100000752083_100000747405 [0,1,0,0,0,0|3,0,0]=4 215 B12R1.49 CCC(=O)NC1CCC(=O)NC1 11a_100000748762_100000210414 [0,1,0,0,0,0|1,0,0]=2 216 B12R1.49 CCC(=O)NC1CCC(=O)NC1 1626a_100000748762_100000210414 [0,1,0,0,0,0|1,0,0]=2 217 B12R1.49 CCC(=O)NC1CCC(=O)NC1 240690a_100000748762_100000210414 [0,1,0,0,0,0|1,0,0]=2 218 B12R1.49 CCC(=O)NC1CCC(=O)NC1 527a_100000748762_100000210414 [0,1,0,0,0,0|1,0,0]=2 219 B12R1.49 CCC(=O)NC1CCN(CC1)C 11a_100000198570_100000210414 [0,1,0,0,0,0|2,0,0]=3 220 B12R1.49 CCC(=O)NC1CCN(CC1)C 240690a_100000198570_100000210414 [0,1,0,0,0,0|2,0,0]=3 221 B12R1.49 CCC(=O)NC1CCN(CC1)C 527a_100000198570_100000210414 [0,1,0,0,0,0|2,0,0]=3 222 B12R1.49 CCC(=O)N[C@H]1CC[C@@H](CC1)C 1626a_100020625639_100000210414 [0,1,0,0,0,0|1,0,1]=3 223 B12R1.49 CCC(=O)N[C@H]1CC[C@@H](CC1)C 240690a_100020625639_100000210414 [0,1,0,0,0,0|1,0,1]=3 224 B12R1.49 CCC(=O)N[C@H]1CC[C@@H](CC1)C 527a_100020625639_100000210414 [0,1,0,0,0,0|1,0,1]=3 225 B12R1.49 CCC(=O)N[C@H]1CC[C@H](CC1)O 1626a_100020628982_100000210414 [0,1,0,0,0,0|0,0,2]=3 226 B12R1.49 CCC(=O)N[C@H]1CC[C@H](CC1)O 240690a_100020628982_100000210414 [0,1,0,0,0,0|0,0,2]=3 227 B12R1.49 CCC(C)NC1CCC(=O)NC1 2230a_100000748762_100000758301 [0,1,0,0,0,0|2,0,1]=4 228 B12R1.49 CCC(C)NC1CCC(=O)NC1 34a_100000748762_100011215416 [0,1,0,0,0,0|2,0,1]=4 229 B12R1.49 CCC(C)OC1CCC(=O)CC1 34a_100000764474_100011215416 [0,1,0,0,0,0|2,0,1]=4 230 B12R1.49 CCC(C)OC1CCC(=O)CC1 7a_100000764474_100000758301 [0,1,0,0,0,0|2,0,1]=4 231 B12R1.49 CN1CCC(CC1)CC(=O)CF 1458a_100000700355_100015361967 [0,1,0,0,0,0|3,0,0]=4 232 B12R1.49 CN1CCC(CC1)NC(=O)CO 240690a_100000198570_100000210174 [0,1,0,0,0,0|2,0,0]=3 233 B12R1.49 CN1CCC(CC1)NC(=O)CO 527a_100000198570_100000210174 [0,1,0,0,0,0|2,0,0]=3 234 B12R1.49 CNC(=O)CC1CCC(CC1)C 11a_106832991635_100011215564 [0,1,0,0,0,0|2,0,1]=4 235 B12R1.49 CNC(=O)CC1CCC(CC1)C 1626a_100102657272_100011215564 [0,1,0,0,0,0|2,0,1]=4 236 B12R1.49 CNC(=O)CC1CCC(CC1)C 240690a_100102657272_100011215564 [0,1,0,0,0,0|2,0,1]=4 237 B12R1.49 CNC(=O)CC1CCC(CC1)C 527a_100102657272_100011215564 [0,1,0,0,0,0|2,0,1]=4 238 B12R1.49 CNC(=O)CC1CCC(CC1)O 1626a_100102657272_100012184027 [0,1,0,0,0,0|1,0,2]=4 239 B12R1.49 CNC(=O)CC1CCC(CC1)O 240690a_100102657272_100012184027 [0,1,0,0,0,0|1,0,2]=4 240 B12R1.49 CNC(=O)CC1CCC(CC1)O 527a_100102657272_100012184027 [0,1,0,0,0,0|1,0,2]=4 241 B12R1.49 CNC(=O)CC1CCN(CC1)C 11a_106832991635_100000700355 [0,1,0,0,0,0|3,0,0]=4 242 B12R1.49 CNC(=O)CC1CCN(CC1)C 1626a_100102657272_100000700355 [0,1,0,0,0,0|3,0,0]=4 243 B12R1.49 CNC(=O)CC1CCN(CC1)C 2230a_100000765844_200000210301 [0,1,0,0,0,0|3,0,0]=4 244 B12R1.49 CNC(=O)CC1CCN(CC1)C 240690a_100102657272_100000700355 [0,1,0,0,0,0|3,0,0]=4 245 B12R1.49 CNC(=O)CC1CCN(CC1)C 269982a_100000765844_200000210301 [0,1,0,0,0,0|3,0,0]=4 246 B12R1.49 CNC(=O)CC1CCN(CC1)C 34a_100000765844_200000210301 [0,1,0,0,0,0|3,0,0]=4 247 B12R1.49 CNC(=O)CC1CCN(CC1)[13CH3] 2230a_100000765844_200025704644 [0,1,0,0,0,0|3,0,0]=4 248 B12R1.49 CNC(=O)CC1CCN(CC1)[13CH3] 269982a_100000765844_200025704644 [0,1,0,0,0,0|3,0,0]=4 249 B12R1.49 CNC(=O)CC1CCN(CC1)[13CH3] 34a_100000765844_200025704644 [0,1,0,0,0,0|3,0,0]=4 250 B12R1.49 CNC(=O)CN1CCS(=O)CC1 2230a_100000752083_100000183359 [0,1,0,0,0,0|3,0,0]=4 251 B12R1.49 CNC(=O)CN1CCS(=O)CC1 269982a_100000752083_100000183359 [0,1,0,0,0,0|3,0,0]=4 252 B12R1.49 CNC(=O)NC1CCC(=O)NC1 2708a_100000748762_106832991635 [0,1,0,0,0,0|1,0,0]=2 253 B12R1.49 CNC(=O)NC1CCC(=O)NC1 2708a_100102657272_100000748762 [0,1,0,0,0,0|1,0,0]=2 254 B12R1.49 CNC(=O)NC1CCC(=O)NC1 273464a_100000748762_100102657272 [0,1,0,0,0,0|1,0,0]=2 255 B12R1.49 CNC(=O)NC1CCC(=O)NC1 273464a_100102657272_100000748762 [0,1,0,0,0,0|1,0,0]=2 256 B12R1.49 CNC(=O)NC1CCC(=O)NC1 512a_100000748762_100102657272 [0,1,0,0,0,0|1,0,0]=2 257 B12R1.49 CNC(=O)NC1CCC(=O)NC1 512a_106832991638_100000748762 [0,1,0,0,0,0|1,0,0]=2 258 B12R1.49 CNC(=O)NC1CCN(CC1)C 2708a_100000198570_106832991635 [0,1,0,0,0,0|2,0,0]=3 259 B12R1.49 CNC(=O)NC1CCN(CC1)C 2708a_100102657272_100000198570 [0,1,0,0,0,0|2,0,0]=3 260 B12R1.49 CNC(=O)NC1CCN(CC1)C 273464a_100000198570_100102657272 [0,1,0,0,0,0|2,0,0]=3 261 B12R1.49 CNC(=O)NC1CCN(CC1)C 273464a_100102657272_100000198570 [0,1,0,0,0,0|2,0,0]=3 262 B12R1.49 CNC(=O)NC1CCN(CC1)C 512a_100000198570_100102657272 [0,1,0,0,0,0|2,0,0]=3 263 B12R1.49 CNC(=O)NC1CCN(CC1)C 512a_106832991638_100000198570 [0,1,0,0,0,0|2,0,0]=3 264 B12R1.49 CNC(=O)N[C@H]1CC[C@@H](CC1)C 2708a_100020625639_106832991635 [0,1,0,0,0,0|1,0,1]=3 265 B12R1.49 CNC(=O)N[C@H]1CC[C@@H](CC1)C 2708a_100102657272_100020625639 [0,1,0,0,0,0|1,0,1]=3 266 B12R1.49 CNC(=O)N[C@H]1CC[C@@H](CC1)C 273464a_100020625639_100102657272 [0,1,0,0,0,0|1,0,1]=3 267 B12R1.49 CNC(=O)N[C@H]1CC[C@@H](CC1)C 273464a_100102657272_100020625639 [0,1,0,0,0,0|1,0,1]=3 268 B12R1.49 CNC(=O)N[C@H]1CC[C@H](CC1)O 2708a_100020628982_106832991635 [0,1,0,0,0,0|0,0,2]=3 269 B12R1.49 CNC(=O)N[C@H]1CC[C@H](CC1)O 2708a_100102657272_100020628982 [0,1,0,0,0,0|0,0,2]=3 270 B12R1.49 CNC(=O)N[C@H]1CC[C@H](CC1)O 273464a_100020628982_100102657272 [0,1,0,0,0,0|0,0,2]=3 271 B12R1.49 CNC(=O)N[C@H]1CC[C@H](CC1)O 273464a_100102657272_100020628982 [0,1,0,0,0,0|0,0,2]=3 272 B12R1.49 CNC(=O)N[C@H]1CC[C@H](CC1)O 512a_106832991638_100020628982 [0,1,0,0,0,0|0,0,2]=3 273 B12R1.49 COC(=O)CC1CCN(CC1)C 2230a_100015189564_200000210301 [0,1,0,0,0,0|3,0,0]=4 274 B12R1.49 COC(=O)CC1CCN(CC1)C 269982a_100015189564_200000210301 [0,1,0,0,0,0|3,0,0]=4 275 B12R1.49 COC(=O)CC1CCN(CC1)[13CH3] 2230a_100015189564_200025704644 [0,1,0,0,0,0|3,0,0]=4 276 B12R1.49 COC(=O)CC1CCN(CC1)[13CH3] 269982a_100015189564_200025704644 [0,1,0,0,0,0|3,0,0]=4 277 B12R1.49 COC(=O)CN1CCS(=O)CC1 2230a_100000752083_100000747449 [0,1,0,0,0,0|3,0,0]=4 278 B12R1.49 COC(=O)CN1CCS(=O)CC1 269982a_100000752083_100000747449 [0,1,0,0,0,0|3,0,0]=4 279 B12R1.49 COC(=O)NC1CCN(CC1)C 2230a_100025775168_200000210301 [0,1,0,0,0,0|2,0,0]=3 280 B12R1.49 COC(=O)NC1CCN(CC1)C 269982a_100025775168_200000210301 [0,1,0,0,0,0|2,0,0]=3 281 B12R1.49 COC(=O)NC1CCN(CC1)C 34a_100025775168_200000210301 [0,1,0,0,0,0|2,0,0]=3 282 B12R1.49 COC(=O)NC1CCN(CC1)[13CH3] 2230a_100025775168_200025704644 [0,1,0,0,0,0|2,0,0]=3 283 B12R1.49 COC(=O)NC1CCN(CC1)[13CH3] 269982a_100025775168_200025704644 [0,1,0,0,0,0|2,0,0]=3 284 B12R1.49 COC(=O)NC1CCN(CC1)[13CH3] 34a_100025775168_200025704644 [0,1,0,0,0,0|2,0,0]=3 285 B12R1.49 C[C@H]1CC[C@@H](CC1)NC(=O)CO 240690a_100020625639_100000210174 [0,1,0,0,0,0|1,0,1]=3 286 B12R1.49 C[C@H]1CC[C@@H](CC1)NC(=O)CO 527a_100020625639_100000210174 [0,1,0,0,0,0|1,0,1]=3 287 B12R1.49 O=C(CF)CC1CCC(CC1)O 1458a_100012184027_100015361967 [0,1,0,0,0,0|1,0,2]=4 288 B12R1.49 O=C(CO)N[C@H]1CC[C@H](CC1)O 240690a_100020628982_100000210174 [0,1,0,0,0,0|0,0,2]=3 289 B12R1.49 O=C1CCC(CN1)NC(=O)CO 240690a_100000748762_100000210174 [0,1,0,0,0,0|1,0,0]=2 290 B12R1.49 O=C1CCC(CN1)NC(=O)CO 527a_100000748762_100000210174 [0,1,0,0,0,0|1,0,0]=2 291 B12R1.106 CC(C)(C)NC1CCC(=O)NC1 34a_100000748762_100000210625 [0,1,0,0,0,0|2,0,1]=4 292 B12R1.106 CC(C)(C)OC1CCC(=O)CC1 34a_100000764474_100000210625 [0,1,0,0,0,0|2,0,1]=4 293 B12R1.106 CN1CCC(CC1)NS(=O)(=O)C 2230a_100000240300_200000210301 [0,1,0,0,0,0|3,0,0]=4 294 B12R1.106 CN1CCC(CC1)NS(=O)(=O)C 269982a_100000240300_200000210301 [0,1,0,0,0,0|3,0,0]=4 295 B12R1.106 CN1CCC(CC1)NS(=O)(=O)C 40a_100000198570_100000738038 [0,1,0,0,0,0|3,0,0]=4 296 B12R1.106 CS(=O)(=O)NC1CCC(=O)NC1 40a_100000748762_100000738038 [0,1,0,0,0,0|2,0,0]=3 297 B12R1.106 CS(=O)(=O)NC1CCN(CC1)[13CH3] 2230a_100000240300_200025704644 [0,1,0,0,0,0|3,0,0]=4 298 B12R1.106 CS(=O)(=O)NC1CCN(CC1)[13CH3] 269982a_100000240300_200025704644 [0,1,0,0,0,0|3,0,0]=4 299 B12R1.106 CS(=O)(=O)N[C@H]1CC[C@@H](CC1)C 40a_100020625639_100000738038 [0,1,0,0,0,0|2,0,1]=4 300 B12R1.106 CS(=O)(=O)N[C@H]1CC[C@H](CC1)O 40a_100020628982_100000738038 [0,1,0,0,0,0|1,0,2]=4 301 B12R1.233 CC(=O)NC1CCC(=O)NC1=O 11a_100000691121_100015343762 [0,1,0,0,0,0|1,0,1]=3 302 B12R1.233 CC(=O)NC1CCC(=O)NC1=O 1626a_100000691121_100015343762 [0,1,0,0,0,0|1,0,1]=3 303 B12R1.233 CC(=O)NC1CCC(=O)NC1=O 240690a_100000691121_100015343762 [0,1,0,0,0,0|1,0,1]=3 304 B12R1.233 CC(=O)NC1CCC(=O)NC1=O 527a_100000691121_100103153847 [0,1,0,0,0,0|1,0,1]=3 305 B12R1.349 CC(C)OC1(CCC(=O)CC1)C 34a_100012184276_100000210206 [0,1,0,0,0,0|2,0,1]=4 306 B12R1.349 CC(C)OC1(CCC(=O)CC1)C 7a_100012184276_100000210206 [0,1,0,0,0,0|2,0,1]=4 307 B12R1.1819 CC(=O)CC1CCC(CC1)(F)F 1458a_100000070787_100012361406 [0,1,0,0,0,0|2,0,1]=4 308 B12R1.1819 CC(=O)CC1CCC(CC1)(F)F 1458a_100000101020_200000210301 [0,1,0,0,0,0|2,0,1]=4 309 B12R1.1819 CC(=O)CN1CCS(=O)(=O)CC1 1458a_100000739238_200000210301 [0,1,0,0,0,0|3,0,0]=4 310 B12R1.1819 CC(=O)NC1CCC(CC1)(C)C 11a_100000757809_100015343762 [0,1,0,0,0,0|1,0,1]=3 311 B12R1.1819 CC(=O)NC1CCC(CC1)(C)C 1626a_100000757809_100015343762 [0,1,0,0,0,0|1,0,1]=3 312 B12R1.1819 CC(=O)NC1CCC(CC1)(C)C 240690a_100000757809_100015343762 [0,1,0,0,0,0|1,0,1]=3 313 B12R1.1819 CC(=O)NC1CCC(CC1)(C)C 527a_100000757809_100103153847 [0,1,0,0,0,0|1,0,1]=3 314 B12R1.1819 CC(=O)NC1CCC(CC1)(F)F 11a_100000694335_100015343762 [0,1,0,0,0,0|1,0,1]=3 315 B12R1.1819 CC(=O)NC1CCC(CC1)(F)F 1626a_100000694335_100015343762 [0,1,0,0,0,0|1,0,1]=3 316 B12R1.1819 CC(=O)NC1CCC(CC1)(F)F 240690a_100000694335_100015343762 [0,1,0,0,0,0|1,0,1]=3 317 B12R1.1819 CC(=O)NC1CCC(CC1)(F)F 527a_100000694335_100103153847 [0,1,0,0,0,0|1,0,1]=3 318 B12R1.1819 CC(=O)NC1CCS(=O)(=O)CC1 11a_100000739226_100015343762 [0,1,0,0,0,0|1,0,0]=2 319 B12R1.1819 CC(=O)NC1CCS(=O)(=O)CC1 1626a_100000739226_100015343762 [0,1,0,0,0,0|1,0,0]=2 320 B12R1.1819 CC(=O)NC1CCS(=O)(=O)CC1 240690a_100000739226_100015343762 [0,1,0,0,0,0|1,0,0]=2 321 B12R1.1819 CC(=O)NC1CCS(=O)(=O)CC1 527a_100000739226_100103153847 [0,1,0,0,0,0|1,0,0]=2 322 B12R1.1819 CC(=O)N[C@H]1CC[C@](CC1)(C)O 11a_202125554758_100015343762 [0,1,0,0,0,0|0,0,2]=3 323 B12R1.1819 CC(=O)N[C@H]1CC[C@](CC1)(C)O 1626a_202125554758_100015343762 [0,1,0,0,0,0|0,0,2]=3 324 B12R1.1819 CC(=O)N[C@H]1CC[C@](CC1)(C)O 240690a_202125554758_100015343762 [0,1,0,0,0,0|0,0,2]=3 325 B12R1.1819 CC(=O)N[C@H]1CC[C@](CC1)(C)O 527a_202125554758_100103153847 [0,1,0,0,0,0|0,0,2]=3 326 B12R1.1819 CC(C)NC1CCS(=O)(=O)CC1 2230a_100000739226_100000210206 [0,1,0,0,0,0|2,0,1]=4 327 B12R1.1819 CC(C)NC1CCS(=O)(=O)CC1 34a_100000739226_100000210206 [0,1,0,0,0,0|2,0,1]=4 328 B12R1.1819 [13CH3]C(=O)CC1CCC(CC1)(F)F 1458a_100000101020_200025704644 [0,1,0,0,0,0|2,0,1]=4 329 B12R1.1819 [13CH3]C(=O)CN1CCS(=O)(=O)CC1 1458a_100000739238_200025704644 [0,1,0,0,0,0|3,0,0]=4 330 B10R0.55 C#CC(=O)CCCCC(=O)C 1458a_100000211873_100000735457 [0,0,1,0,0,0|1,0,2]=4 331 B10R0.55 C#CC(=O)CCCOC(=O)C 1458a_100000211873_100000042594 [0,0,1,0,0,0|1,0,2]=4 332 B10R0.55 C#CC(=O)CCCSC(=O)C 1458a_100000211873_100000038929 [0,0,1,0,0,0|1,0,2]=4 333 B10R0.55 C=C(C)CCOCC(=O)CC 34a_100000725409_100000730704 [0,0,1,0,0,0|3,0,0]=4 334 B10R0.55 C=C(C)CCSCC(=O)CC 62a_100000730704_100000747405 [0,0,1,0,0,0|3,0,0]=4 335 B10R0.55 C=C(C)CCSCC(=O)CC 62a_100000747405_100000730704 [0,0,1,0,0,0|3,0,0]=4 336 B10R0.55 C=CC(=O)CCCCC(=O)C 1458a_100000185746_100000735457 [0,0,1,0,0,0|1,0,2]=4 337 B10R0.55 C=CC(=O)CCCOC(=O)C 1458a_100000185746_100000042594 [0,0,1,0,0,0|1,0,2]=4 338 B10R0.55 C=CC(=O)CCCSC(=O)C 1458a_100000185746_100000038929 [0,0,1,0,0,0|1,0,2]=4 339 B10R0.55 C=CC(=O)NCCNC(=O)C 11a_114873766552_100015343762 [0,0,1,0,0,0|1,0,2]=4 340 B10R0.55 C=CC(=O)NCCNC(=O)C 1626a_114873766552_100015343762 [0,0,1,0,0,0|1,0,2]=4 341 B10R0.55 C=CC(=O)NCCNC(=O)C 240690a_100000209853_200121576911 [0,0,1,0,0,0|1,0,2]=4 342 B10R0.55 C=CC(=O)NCCNC(=O)C 527a_114873766552_100103153847 [0,0,1,0,0,0|1,0,2]=4 343 B10R0.55 CC(=O)CCCCC(=O)CO 1458a_100000210174_100000735457 [0,0,1,0,0,0|2,0,0]=3 344 B10R0.55 CC(=O)NCCCC(=O)CF 1458a_100000194741_100015361967 [0,0,1,0,0,0|1,0,0]=2 345 B10R0.55 CC(=O)NCCNC(=O)CO 240690a_100000209853_100000210174 [0,0,1,0,0,0|2,0,0]=3 346 B10R0.55 CC(=O)NCCNC(=O)CO 527a_100000209853_100000210174 [0,0,1,0,0,0|2,0,0]=3 347 B10R0.55 CC(=O)OCCCC(=O)CO 1458a_100000210174_100000042594 [0,0,1,0,0,0|2,0,0]=3 348 B10R0.55 CC(=O)OCCNC(=O)CO 240690a_100000724843_100000210174 [0,0,1,0,0,0|3,0,0]=4 349 B10R0.55 CC(=O)OCCNC(=O)CO 527a_100000724843_100000210174 [0,0,1,0,0,0|3,0,0]=4 350 B10R0.55 CC(=O)SCCCC(=O)CO 1458a_100000210174_100000038929 [0,0,1,0,0,0|2,0,0]=3 351 B10R0.55 CC(=O)SCCNC(=O)CO 240690a_100020647217_100000210174 [0,0,1,0,0,0|3,0,0]=4 352 B10R0.55 CC(=O)SCCNC(=O)CO 527a_100020647217_100000210174 [0,0,1,0,0,0|3,0,0]=4 353 B10R0.55 CC(=S)OCCCC(=O)CO 1458a_100000210174_200135323944 [0,0,1,0,0,0|2,1,0]=4 354 B10R0.55 CCC(=O)CCCCC(=O)C 1458a_100000210414_100000735457 [0,0,1,0,0,0|1,0,0]=2 355 B10R0.55 CCC(=O)CCCCC(C)C 1458a_100000210414_100011216152 [0,0,1,0,0,0|2,0,1]=4 356 B10R0.55 CCC(=O)CCCCC(C)C 1458a_100011933920_100000210202 [0,0,1,0,0,0|2,0,1]=4 357 B10R0.55 CCC(=O)CCCN=C(N)N 1458a_100000034108_100000210202 [0,0,1,0,0,0|2,0,1]=4 358 B10R0.55 CCC(=O)CCCNC(=O)C 1458a_100000194741_100000210202 [0,0,1,0,0,0|0,0,0]=1 359 B10R0.55 CCC(=O)CCCOC(=O)C 1458a_100000210414_100000042594 [0,0,1,0,0,0|1,0,0]=2 360 B10R0.55 CCC(=O)CCCOC(=S)C 1458a_100000210414_200135323944 [0,0,1,0,0,0|1,1,0]=3 361 B10R0.55 CCC(=O)CCCSC(=O)C 1458a_100000210414_100000038929 [0,0,1,0,0,0|1,0,0]=2 362 B10R0.55 CCC(=O)CCOCC(=O)N 1458a_100000210414_100000076697 [0,0,1,0,0,0|3,0,0]=4 363 B10R0.55 CCC(=O)CCSCC(=O)N 1458a_100000148550_100000210202 [0,0,1,0,0,0|3,0,0]=4 364 B10R0.55 CCC(=O)COCC=C(C)C 34a_100000725409_100000761012 [0,0,1,0,0,0|3,0,0]=4 365 B10R0.55 CCC(=O)COCCC(=O)C 7a_100000759926_100000747405 [0,0,1,0,0,0|2,0,0]=3 366 B10R0.55 CCC(=O)COCCC(=O)N 34a_100000725409_100000731001 [0,0,1,0,0,0|3,0,0]=4 367 B10R0.55 CCC(=O)COCCC(=O)N 7a_100000757172_100000747405 [0,0,1,0,0,0|3,0,0]=4 368 B10R0.55 CCC(=O)COCOC(=O)C 34a_100000725409_100009813279 [0,0,1,0,0,0|2,0,0]=3 369 B10R0.55 CCC(=O)CSCC=C(C)C 62a_100000747405_100000761012 [0,0,1,0,0,0|3,0,0]=4 370 B10R0.55 CCC(=O)CSCC=C(C)C 62a_100000761012_100000747405 [0,0,1,0,0,0|3,0,0]=4 371 B10R0.55 CCC(=O)CSCCC(=O)C 62a_100000053229_100000747405 [0,0,1,0,0,0|2,0,0]=3 372 B10R0.55 CCC(=O)CSCCC(=O)C 62a_100000747405_100000053229 [0,0,1,0,0,0|2,0,0]=3 373 B10R0.55 CCC(=O)CSCCC(=O)N 62a_100000744528_100000747405 [0,0,1,0,0,0|3,0,0]=4 374 B10R0.55 CCC(=O)CSCCC(=O)N 62a_100000747405_100000744528 [0,0,1,0,0,0|3,0,0]=4 375 B10R0.55 CCC(=O)CSCOC(=O)C 62a_100000076356_100000747405 [0,0,1,0,0,0|2,0,0]=3 376 B10R0.55 CCC(=O)CSCOC(=O)C 62a_100000747405_100000076356 [0,0,1,0,0,0|2,0,0]=3 377 B10R0.55 CCC(=O)NCCCC(=O)N 240690a_100000739312_100000210414 [0,0,1,0,0,0|3,0,0]=4 378 B10R0.55 CCC(=O)NCCCC(=O)N 527a_100000739312_100000210414 [0,0,1,0,0,0|3,0,0]=4 379 B10R0.55 CCC(=O)NCCCS(=O)C 11a_200000753449_100000210414 [0,0,1,0,0,0|3,0,0]=4 380 B10R0.55 CCC(=O)NCCCS(=O)C 240690a_200000753449_100000210414 [0,0,1,0,0,0|3,0,0]=4 381 B10R0.55 CCC(=O)NCCCS(=O)C 527a_200000753449_100000210414 [0,0,1,0,0,0|3,0,0]=4 382 B10R0.55 CCC(=O)NCCNC(=O)C 11a_100132302217_100015343762 [0,0,1,0,0,0|1,0,0]=2 383 B10R0.55 CCC(=O)NCCNC(=O)C 1626a_100132302217_100015343762 [0,0,1,0,0,0|1,0,0]=2 384 B10R0.55 CCC(=O)NCCNC(=O)C 240690a_100000209853_100000210414 [0,0,1,0,0,0|1,0,0]=2 385 B10R0.55 CCC(=O)NCCNC(=O)C 240690a_100132302217_100015343762 [0,0,1,0,0,0|1,0,0]=2 386 B10R0.55 CCC(=O)NCCNC(=O)C 527a_100000209853_100000210414 [0,0,1,0,0,0|1,0,0]=2 387 B10R0.55 CCC(=O)NCCNC(=O)C 527a_100132302217_100103153847 [0,0,1,0,0,0|1,0,0]=2 388 B10R0.55 CCC(=O)NCCNC(=O)N 240690a_100020590234_100000210414 [0,0,1,0,0,0|2,0,0]=3 389 B10R0.55 CCC(=O)NCCNC(=O)N 527a_100020590234_100000210414 [0,0,1,0,0,0|2,0,0]=3 390 B10R0.55 CCC(=O)NCCNC(C)C 34a_100132302217_100000210206 [0,0,1,0,0,0|2,0,1]=4 391 B10R0.55 CCC(=O)NCCOC(=O)C 11a_100000724843_100000210414 [0,0,1,0,0,0|2,0,0]=3 392 B10R0.55 CCC(=O)NCCOC(=O)C 240690a_100000724843_100000210414 [0,0,1,0,0,0|2,0,0]=3 393 B10R0.55 CCC(=O)NCCOC(=O)C 527a_100000724843_100000210414 [0,0,1,0,0,0|2,0,0]=3 394 B10R0.55 CCC(=O)NCCSC(=O)C 11a_100020647217_100000210414 [0,0,1,0,0,0|2,0,0]=3 395 B10R0.55 CCC(=O)NCCSC(=O)C 240690a_100020647217_100000210414 [0,0,1,0,0,0|2,0,0]=3 396 B10R0.55 CCC(=O)NCCSC(=O)C 527a_100020647217_100000210414 [0,0,1,0,0,0|2,0,0]=3 397 B10R0.55 CCC(C)NCCNC(=O)C 2230a_100000209853_100000758301 [0,0,1,0,0,0|2,0,1]=4 398 B10R0.55 CCC(C)NCCNC(=O)C 2230a_100000209981_100000189650 [0,0,1,0,0,0|2,0,1]=4 399 B10R0.55 CCC(C)OCCNC(=O)C 34a_100000158858_100011215416 [0,0,1,0,0,0|2,0,1]=4 400 B10R0.55 CCC(C)OCCNC(=O)C 7a_100000210228_100000189650 [0,0,1,0,0,0|2,0,1]=4 401 B10R0.55 CCC(C)SCCNC(=O)C 62a_100000189650_100000758301 [0,0,1,0,0,0|2,0,1]=4 402 B10R0.55 CCC(C)SCCNC(=O)C 62a_100000758301_100000189650 [0,0,1,0,0,0|2,0,1]=4 403 B10R0.55 CCN(C)CCCCC(=O)C 269982a_100000225621_100000735457 [0,0,1,0,0,0|3,0,0]=4 404 B10R0.55 CCN(C)CCCOC(=O)C 269982a_100000225621_100000042594 [0,0,1,0,0,0|3,0,0]=4 405 B10R0.55 CCN(C)CCCSC(=O)C 2230a_100000225621_100000038929 [0,0,1,0,0,0|3,0,0]=4 406 B10R0.55 CCN(C)CCCSC(=O)C 269982a_100000225621_100000038929 [0,0,1,0,0,0|3,0,0]=4 407 B10R0.55 CNC(=O)CCCNC(=O)C 11a_100000740002_100015343762 [0,0,1,0,0,0|1,0,0]=2 408 B10R0.55 CNC(=O)CCCNC(=O)C 11a_106832991635_100000194741 [0,0,1,0,0,0|1,0,0]=2 409 B10R0.55 CNC(=O)CCCNC(=O)C 1626a_100102657272_100000194741 [0,0,1,0,0,0|1,0,0]=2 410 B10R0.55 CNC(=O)CCCNC(=O)C 240690a_100000740002_100015343762 [0,0,1,0,0,0|1,0,0]=2 411 B10R0.55 CNC(=O)CCCNC(=O)C 240690a_100102657272_100000194741 [0,0,1,0,0,0|1,0,0]=2 412 B10R0.55 CNC(=O)CCCNC(=O)C 527a_100000740002_100103153847 [0,0,1,0,0,0|1,0,0]=2 413 B10R0.55 CNC(=O)CCCNC(=O)C 527a_100102657272_100000194741 [0,0,1,0,0,0|1,0,0]=2 414 B10R0.55 CNC(=O)CCCNC(C)C 2230a_100000740002_100000210206 [0,0,1,0,0,0|2,0,1]=4 415 B10R0.55 CNC(=O)CCCNC(C)C 2230a_100138425928_100000741757 [0,0,1,0,0,0|2,0,1]=4 416 B10R0.55 CNC(=O)CCCNC(C)C 34a_100000740002_100000210206 [0,0,1,0,0,0|2,0,1]=4 417 B10R0.55 CNC(=O)CCCNC(C)C 34a_100138425928_100000741757 [0,0,1,0,0,0|2,0,1]=4 418 B10R0.55 CNC(=O)CCOCC(=O)C 34a_100000211253_100012179268 [0,0,1,0,0,0|3,0,0]=4 419 B10R0.55 CNC(=O)COCCC(=O)C 34a_100000759926_100000183359 [0,0,1,0,0,0|3,0,0]=4 420 B10R0.55 CNC(=O)COCCC(=O)C 7a_100000759926_100000183359 [0,0,1,0,0,0|3,0,0]=4 421 B10R0.55 CNC(=O)COCOC(=O)C 34a_100000750040_100009813279 [0,0,1,0,0,0|3,0,0]=4 422 B10R0.55 CNC(=O)CSCCC(=O)C 62a_100000053229_100000183359 [0,0,1,0,0,0|3,0,0]=4 423 B10R0.55 CNC(=O)CSCCC(=O)C 62a_100000183359_100000053229 [0,0,1,0,0,0|3,0,0]=4 424 B10R0.55 CNC(=O)CSCOC(=O)C 62a_100000076356_100000183359 [0,0,1,0,0,0|3,0,0]=4 425 B10R0.55 CNC(=O)CSCOC(=O)C 62a_100000183359_100000076356 [0,0,1,0,0,0|3,0,0]=4 426 B10R0.55 CNC(=O)NCCNC(=O)C 11a_100015205895_100015343762 [0,0,1,0,0,0|2,0,0]=3 427 B10R0.55 CNC(=O)NCCNC(=O)C 240690a_100015205895_100015343762 [0,0,1,0,0,0|2,0,0]=3 428 B10R0.55 CNC(=O)NCCNC(=O)C 2708a_100000209853_106832991635 [0,0,1,0,0,0|2,0,0]=3 429 B10R0.55 CNC(=O)NCCNC(=O)C 2708a_100102657272_100000209853 [0,0,1,0,0,0|2,0,0]=3 430 B10R0.55 CNC(=O)NCCNC(=O)C 273464a_100000209853_100102657272 [0,0,1,0,0,0|2,0,0]=3 431 B10R0.55 CNC(=O)NCCNC(=O)C 273464a_100102657272_100000209853 [0,0,1,0,0,0|2,0,0]=3 432 B10R0.55 CNC(=O)NCCNC(=O)C 512a_100000209853_100102657272 [0,0,1,0,0,0|2,0,0]=3 433 B10R0.55 CNC(=O)NCCNC(=O)C 512a_106832991638_100000209853 [0,0,1,0,0,0|2,0,0]=3 434 B10R0.55 CNC(=O)NCCNC(=O)C 527a_100015205895_100103153847 [0,0,1,0,0,0|2,0,0]=3 435 B10R0.55 CNC(=O)NCCNC(=O)N 2708a_100102657272_100020590234 [0,0,1,0,0,0|3,0,0]=4 436 B10R0.55 CNC(=O)NCCNC(=O)N 273464a_100020590234_100102657272 [0,0,1,0,0,0|3,0,0]=4 437 B10R0.55 CNC(=O)NCCNC(=O)N 273464a_100102657272_100020590234 [0,0,1,0,0,0|3,0,0]=4 438 B10R0.55 CNC(=O)NCCNC(=O)N 512a_100020590234_100102657272 [0,0,1,0,0,0|3,0,0]=4 439 B10R0.55 CNC(=O)NCCNC(=O)N 512a_106832991638_100020590234 [0,0,1,0,0,0|3,0,0]=4 440 B10R0.55 CNC(=O)NCCOC(=O)C 2708a_100102657272_100000724843 [0,0,1,0,0,0|3,0,0]=4 441 B10R0.55 CNC(=O)NCCOC(=O)C 273464a_100000724843_100102657272 [0,0,1,0,0,0|3,0,0]=4 442 B10R0.55 CNC(=O)NCCOC(=O)C 273464a_100102657272_100000724843 [0,0,1,0,0,0|3,0,0]=4 443 B10R0.55 CNC(=O)NCCOC(=O)C 512a_100000724843_100102657272 [0,0,1,0,0,0|3,0,0]=4 444 B10R0.55 CNC(=O)NCCOC(=O)C 512a_106832991638_100000724843 [0,0,1,0,0,0|3,0,0]=4 445 B10R0.55 CNC(=O)NCCSC(=O)C 2708a_100020647217_106832991635 [0,0,1,0,0,0|3,0,0]=4 446 B10R0.55 CNC(=O)NCCSC(=O)C 2708a_100102657272_100020647217 [0,0,1,0,0,0|3,0,0]=4 447 B10R0.55 CNC(=O)NCCSC(=O)C 273464a_100020647217_100102657272 [0,0,1,0,0,0|3,0,0]=4 448 B10R0.55 CNC(=O)NCCSC(=O)C 273464a_100102657272_100020647217 [0,0,1,0,0,0|3,0,0]=4 449 B10R0.55 CNC(=O)NCCSC(=O)C 512a_100020647217_100102657272 [0,0,1,0,0,0|3,0,0]=4 450 B10R0.55 CNC(=O)NCCSC(=O)C 512a_106832991638_100020647217 [0,0,1,0,0,0|3,0,0]=4 451 B10R0.55 COC(=O)CC=NNC(=O)C 4a_100000189765_200011552997 [0,0,1,0,0,0|2,0,1]=4 452 B10R0.55 COC(=O)CCCCC(=O)C 1458a_100000070787_100000204269 [0,0,1,0,0,0|2,0,0]=3 453 B10R0.55 COC(=O)CCCCC(=O)C 1458a_100000695723_200000210301 [0,0,1,0,0,0|2,0,0]=3 454 B10R0.55 COC(=O)CCCCC(=O)[13CH3] 1458a_100000695723_200025704644 [0,0,1,0,0,0|2,0,0]=3 455 B10R0.55 COC(=O)CCCNC(=O)C 188690a_100000184769_100015343762 [0,0,1,0,0,0|1,0,0]=2 456 B10R0.55 COC(=O)CCCNC(C)C 2230a_100138425928_100011218270 [0,0,1,0,0,0|2,0,1]=4 457 B10R0.55 COC(=O)CCCNC(C)C 34a_100138425928_100000742333 [0,0,1,0,0,0|2,0,1]=4 458 B10R0.55 COC(=O)CCOCC(=O)C 34a_100000211253_100000742370 [0,0,1,0,0,0|3,0,0]=4 459 B10R0.55 COC(=O)COCCC(=O)C 1458a_100000070787_100000090808 [0,0,1,0,0,0|3,0,0]=4 460 B10R0.55 COC(=O)COCCC(=O)C 34a_100000759926_100000747449 [0,0,1,0,0,0|3,0,0]=4 461 B10R0.55 COC(=O)COCCC(=O)C 7a_100000759926_100000747449 [0,0,1,0,0,0|3,0,0]=4 462 B10R0.55 COC(=O)CSCCC(=O)C 62a_100000053229_100000747449 [0,0,1,0,0,0|3,0,0]=4 463 B10R0.55 COC(=O)CSCCC(=O)C 62a_100000747449_100000053229 [0,0,1,0,0,0|3,0,0]=4 464 B10R0.55 COC(=O)CSCOC(=O)C 62a_100000076356_100000747449 [0,0,1,0,0,0|3,0,0]=4 465 B10R0.55 COC(=O)CSCOC(=O)C 62a_100000747449_100000076356 [0,0,1,0,0,0|3,0,0]=4 466 B10R0.55 COC(=O)NCCCC(=O)C 1458a_100000753017_200000210301 [0,0,1,0,0,0|3,0,0]=4 467 B10R0.55 COC(=O)NCCCC(=O)[13CH3] 1458a_100000753017_200025704644 [0,0,1,0,0,0|3,0,0]=4 468 B10R0.55 NC(=O)NCCNC(=O)CO 240690a_100020590234_100000210174 [0,0,1,0,0,0|3,0,0]=4 469 B10R0.55 NC(=O)NCCNC(=O)CO 527a_100020590234_100000210174 [0,0,1,0,0,0|3,0,0]=4 470 B10R0.87 CCCCC(CC)CC(=O)C 1458a_100000070787_100000211942 [0,0,1,0,0,0|2,0,1]=4 471 B10R0.87 CCCC[C@@H](CO)NC(=O)C 240690a_100011934283_100015343762 [0,0,1,0,0,0|2,0,1]=4 472 B10R0.87 CCCC[C@@H](CO)NC(=O)C 527a_100011934283_100103153847 [0,0,1,0,0,0|2,0,1]=4 473 B10R0.87 CC[C@H](CC(=O)O)NCC=O 269956a_100016995926_200015260668 [0,0,1,0,0,0|3,0,0]=4 474 B10R0.87 CSCC[C@@H](CO)NC(=O)C 240690a_100011827619_100015343762 [0,0,1,0,0,0|3,0,0]=4 475 B10R0.87 CSCC[C@@H](CO)NC(=O)C 527a_100011827619_100103153847 [0,0,1,0,0,0|3,0,0]=4 476 B10R0.96 C=C(C)CN(C)CCC(=O)C 269982a_100000225649_100000053229 [0,0,1,0,0,0|3,0,0]=4 477 B10R0.96 C=C(C)CSC(C)OC(=O)C 62a_100000748629_100009818208 [0,0,1,0,0,0|3,0,0]=4 478 B10R0.96 C=C(C)CSC(C)OC(=O)C 62a_100009818208_100000211660 [0,0,1,0,0,0|3,0,0]=4 479 B10R0.96 CC(=O)CC(C)CSC(=O)C 1458a_100000070787_200000116872 [0,0,1,0,0,0|2,0,0]=3 480 B10R0.96 CC(=O)CCN(C)CC(=O)O 269956a_100000746989_100000053229 [0,0,1,0,0,0|3,0,0]=4 481 B10R0.96 CC(=O)NC(C)CCC(C)C 11a_100138410893_100015343762 [0,0,1,0,0,0|1,0,1]=3 482 B10R0.96 CC(=O)NC(C)CCC(C)C 1626a_100138410893_100015343762 [0,0,1,0,0,0|1,0,1]=3 483 B10R0.96 CC(=O)NC(C)CCC(C)C 240690a_100138410893_100015343762 [0,0,1,0,0,0|1,0,1]=3 484 B10R0.96 CC(=O)NC(C)CCC(C)C 527a_100138410893_100103153847 [0,0,1,0,0,0|1,0,1]=3 485 B10R0.96 CC(=O)OC(C)NCC(=O)O 269956a_100016091260_100009818208 [0,0,1,0,0,0|3,0,0]=4 486 B10R0.96 CC(=O)OC(C)SCC(=O)N 62a_100000747473_100009818208 [0,0,1,0,0,0|3,0,0]=4 487 B10R0.96 CC(=O)OC(C)SCC(=O)N 62a_100009818208_100000747473 [0,0,1,0,0,0|3,0,0]=4 488 B10R0.96 CC(=O)OC(C)SCC(=O)[O-] 62a_100009818208_100020667443 [0,0,1,0,0,0|3,0,0]=4 489 B10R0.96 CC(=O)OC(C)SCC(=O)[O-] 62a_100020667443_100009818208 [0,0,1,0,0,0|3,0,0]=4 490 B12R2.294 O=C1CCC(CC1)OC2CC2 34a_100000764474_100000211595 [0,0,0,1,0,0|2,0,1]=4 491 B12R2.294 O=C1CCC(CN1)NC2CC2 34a_100000748762_100000211595 [0,0,0,1,0,0|2,0,1]=4 492 B12R2.1209 CN1CCC2(CC1)CC(=O)N2 2230a_100000746869_200000210301 [0,0,0,1,0,0|2,0,0]=3 493 B12R2.1209 CN1CCC2(CC1)CC(=O)N2 34a_100000746869_200000210301 [0,0,0,1,0,0|2,0,0]=3 494 B12R2.1209 [13CH3]N1CCC2(CC1)CC(=O)N2 2230a_100000746869_200025704644 [0,0,0,1,0,0|2,0,0]=3 495 B12R2.1209 [13CH3]N1CCC2(CC1)CC(=O)N2 34a_100000746869_200025704644 [0,0,0,1,0,0|2,0,0]=3 496 B12R2.1392 CC(=O)N1CC2CCC1CC2 11a_100000750499_100015343762 [0,0,0,1,0,0|1,0,1]=3 497 B12R2.1392 CC(=O)N1CC2CCC1CC2 1626a_100000750499_100015343762 [0,0,0,1,0,0|1,0,1]=3 498 B12R2.1392 CC(=O)N1CC2CCC1CC2 240690a_100000750499_100015343762 [0,0,0,1,0,0|1,0,1]=3 499 B12R2.1392 CC(=O)N1CC2CCC1CC2 527a_100000750499_100103153847 [0,0,0,1,0,0|1,0,1]=3 500 B10R1.13 C=C1CCC(CC1)C(=O)C 1458a_200000138047_200000210301 [0,0,0,0,1,0|1,0,0]=2 501 B10R1.13 C=C1CCC(CC1)C(=O)[13CH3] 1458a_200000138047_200025704644 [0,0,0,0,1,0|1,0,0]=2 502 B10R1.13 C=C1CCC(CC1)N(C)C 270004a_100102631434_100010272673 [0,0,0,0,1,0|3,0,0]=4 503 B10R1.13 C=C1CCN(CC1)C(=O)C 11a_100000752442_100015343762 [0,0,0,0,1,0|2,0,0]=3 504 B10R1.13 C=C1CCN(CC1)C(=O)C 1626a_100000752442_100015343762 [0,0,0,0,1,0|2,0,0]=3 505 B10R1.13 C=C1CCN(CC1)C(=O)C 240690a_100000752442_100015343762 [0,0,0,0,1,0|2,0,0]=3 506 B10R1.13 C=C1CCN(CC1)C(=O)C 527a_100000752442_100103153847 [0,0,0,0,1,0|2,0,0]=3 507 B10R1.13 CC(=O)C1=NNC(=O)CC1 1458a_100000183032_200000210301 [0,0,0,0,1,0|2,0,1]=4 508 B10R1.13 CC(=O)C1CC=C(CC1)C 1458a_100000137427_200000210301 [0,0,0,0,1,0|1,0,1]=3 509 B10R1.13 CC(=O)C1CCC(=O)NC1 1458a_100000740907_200000210301 [0,0,0,0,1,0|1,0,0]=2 510 B10R1.13 CC(=O)C1CCC(CC1)C 1458a_100000070787_200011216234 [0,0,0,0,1,0|1,0,1]=3 511 B10R1.13 CC(=O)C1CCC(CC1)O 1458a_100000743365_200000210301 [0,0,0,0,1,0|0,0,2]=3 512 B10R1.13 CC(=O)C1CCN(CC1)C 1458a_100000743488_200000210301 [0,0,0,0,1,0|2,0,0]=3 513 B10R1.13 CC(=O)N1CC=C(CC1)C 11a_100000693516_100015343762 [0,0,0,0,1,0|2,0,1]=4 514 B10R1.13 CC(=O)N1CC=C(CC1)C 1626a_100000693516_100015343762 [0,0,0,0,1,0|2,0,1]=4 515 B10R1.13 CC(=O)N1CC=C(CC1)C 240690a_100000693516_100015343762 [0,0,0,0,1,0|2,0,1]=4 516 B10R1.13 CC(=O)N1CC=C(CC1)C 527a_100000693516_100103153847 [0,0,0,0,1,0|2,0,1]=4 517 B10R1.13 CC(=O)N1CCC(CC1)C 240690a_100000188429_100015343762 [0,0,0,0,1,0|2,0,1]=4 518 B10R1.13 CC(=O)N1CCC(CC1)C 527a_100000188429_100103153847 [0,0,0,0,1,0|2,0,1]=4 519 B10R1.13 CC(=O)N1CCC(CC1)F 11a_100015193889_100015343762 [0,0,0,0,1,0|2,0,1]=4 520 B10R1.13 CC(=O)N1CCC(CC1)F 1626a_100015193889_100015343762 [0,0,0,0,1,0|2,0,1]=4 521 B10R1.13 CC(=O)N1CCC(CC1)F 240690a_100015193889_100015343762 [0,0,0,0,1,0|2,0,1]=4 522 B10R1.13 CC(=O)N1CCC(CC1)F 527a_100015193889_100103153847 [0,0,0,0,1,0|2,0,1]=4 523 B10R1.13 CC(=O)N1CCC(CC1)O 240690a_100025773856_100015343762 [0,0,0,0,1,0|1,0,2]=4 524 B10R1.13 CC(=O)N1CCC(CC1)O 527a_100025773856_100103153847 [0,0,0,0,1,0|1,0,2]=4 525 B10R1.13 CC(=O)N1CCN(CC1)C 11a_100000188432_100015343762 [0,0,0,0,1,0|3,0,0]=4 526 B10R1.13 CC(=O)N1CCN(CC1)C 2230a_100000210354_200000210301 [0,0,0,0,1,0|3,0,0]=4 527 B10R1.13 CC(=O)N1CCN(CC1)C 240690a_100000188432_100015343762 [0,0,0,0,1,0|3,0,0]=4 528 B10R1.13 CC(=O)N1CCN(CC1)C 269982a_100000210354_200000210301 [0,0,0,0,1,0|3,0,0]=4 529 B10R1.13 CC(=O)N1CCN(CC1)C 527a_100000188432_100103153847 [0,0,0,0,1,0|3,0,0]=4 530 B10R1.13 CC(=O)N1CCN(CC1)[13CH3] 2230a_100000210354_200025704644 [0,0,0,0,1,0|3,0,0]=4 531 B10R1.13 CC(=O)N1CCN(CC1)[13CH3] 269982a_100000210354_200025704644 [0,0,0,0,1,0|3,0,0]=4 532 B10R1.13 CC(=O)N1CCS(=O)CC1 240690a_100000752083_100015343762 [0,0,0,0,1,0|2,0,0]=3 533 B10R1.13 CC(=O)N1CCS(=O)CC1 527a_100000752083_100103153847 [0,0,0,0,1,0|2,0,0]=3 534 B10R1.13 CC(=O)[C@H]1CC[C@@H](CC1)C 1458a_100009815934_200000210301 [0,0,0,0,1,0|1,0,1]=3 535 B10R1.13 CC1=CCC(CC1)C(=O)[13CH3] 1458a_100000137427_200025704644 [0,0,0,0,1,0|1,0,1]=3 536 B10R1.13 CN1CCC(CC1)C(=O)N 2230a_100000210938_200000210301 [0,0,0,0,1,0|3,0,0]=4 537 B10R1.13 CN1CCC(CC1)C(=O)N 269982a_100000210938_200000210301 [0,0,0,0,1,0|3,0,0]=4 538 B10R1.13 CN1CCC(CC1)C(=O)N 34a_100000210938_200000210301 [0,0,0,0,1,0|3,0,0]=4 539 B10R1.13 CN1CCC(CC1)C(=O)O 269956a_100000210459_200000210301 [0,0,0,0,1,0|3,0,0]=4 540 B10R1.13 CN1CCC(CC1)C(=O)[13CH3] 1458a_100000743488_200025704644 [0,0,0,0,1,0|2,0,0]=3 541 B10R1.13 C[C@H]1CC[C@@H](CC1)C(=O)[13CH3] 1458a_100009815934_200025704644 [0,0,0,0,1,0|1,0,1]=3 542 B10R1.13 [13CH3]C(=O)C1=NNC(=O)CC1 1458a_100000183032_200025704644 [0,0,0,0,1,0|2,0,1]=4 543 B10R1.13 [13CH3]C(=O)C1CCC(=O)NC1 1458a_100000740907_200025704644 [0,0,0,0,1,0|1,0,0]=2 544 B10R1.13 [13CH3]C(=O)C1CCC(CC1)O 1458a_100000743365_200025704644 [0,0,0,0,1,0|0,0,2]=3 545 B10R1.13 [13CH3]N1CCC(CC1)C(=O)N 2230a_100000210938_200025704644 [0,0,0,0,1,0|3,0,0]=4 546 B10R1.13 [13CH3]N1CCC(CC1)C(=O)N 269982a_100000210938_200025704644 [0,0,0,0,1,0|3,0,0]=4 547 B10R1.13 [13CH3]N1CCC(CC1)C(=O)N 34a_100000210938_200025704644 [0,0,0,0,1,0|3,0,0]=4 548 B10R1.13 [13CH3]N1CCC(CC1)C(=O)O 269956a_100000210459_200025704644 [0,0,0,0,1,0|3,0,0]=4 549 B10R1.54 CC(=O)CC1CCC(=O)N1 1458a_100000026770_200000210301 [0,0,0,0,1,0|2,0,0]=3 550 B10R1.54 CC(=O)CC1CCN(C1)C 1458a_100000070787_200000690779 [0,0,0,0,1,0|3,0,0]=4 551 B10R1.54 CC(=O)CC1CNC(=O)O1 1458a_100000070787_100000181169 [0,0,0,0,1,0|3,0,0]=4 552 B10R1.54 CC(=O)CC1COC(=O)O1 1458a_100000070787_100000073702 [0,0,0,0,1,0|3,0,0]=4 553 B10R1.54 CC(=O)C[C@@H]1CCC(=O)N1 1458a_100000070787_100015189358 [0,0,0,0,1,0|2,0,0]=3 554 B10R1.54 CC(=O)C[C@H]1COC(=O)N1 1458a_100000070787_100015307671 [0,0,0,0,1,0|3,0,0]=4 555 B10R1.54 CC(=O)NC1CCN(C1)C 1626a_100000744687_100015343762 [0,0,0,0,1,0|2,0,0]=3 556 B10R1.54 CC(=O)NC1CCN(C1)C 240690a_100000744687_100015343762 [0,0,0,0,1,0|2,0,0]=3 557 B10R1.54 CC(=O)NC1CCN(C1)C 527a_100000744687_100103153847 [0,0,0,0,1,0|2,0,0]=3 558 B10R1.54 CC(=O)NC1CNC(=O)C1 11a_100000697751_100015343762 [0,0,0,0,1,0|1,0,0]=2 559 B10R1.54 CC(=O)NC1CNC(=O)C1 1626a_100000697751_100015343762 [0,0,0,0,1,0|1,0,0]=2 560 B10R1.54 CC(=O)NC1CNC(=O)C1 240690a_100000697751_100015343762 [0,0,0,0,1,0|1,0,0]=2 561 B10R1.54 CC(=O)NC1CNC(=O)C1 527a_100000697751_100103153847 [0,0,0,0,1,0|1,0,0]=2 562 B10R1.54 CC(=O)N[C@H]1CCN(C1)C 2230a_100016989438_200000210301 [0,0,0,0,1,0|2,0,0]=3 563 B10R1.54 CC(=O)N[C@H]1CCN(C1)C 269982a_100016989438_200000210301 [0,0,0,0,1,0|2,0,0]=3 564 B10R1.54 CC(=O)N[C@H]1CCN(C1)[13CH3] 2230a_100016989438_200025704644 [0,0,0,0,1,0|2,0,0]=3 565 B10R1.54 CC(=O)N[C@H]1CCN(C1)[13CH3] 269982a_100016989438_200025704644 [0,0,0,0,1,0|2,0,0]=3 566 B10R1.54 CC(=O)N[C@H]1CC[C@H](C1)O 1626a_100015195300_100015343762 [0,0,0,0,1,0|0,0,2]=3 567 B10R1.54 CC(=O)N[C@H]1CC[C@H](C1)O 240690a_100015195300_100015343762 [0,0,0,0,1,0|0,0,2]=3 568 B10R1.54 CC(C)NC1CNC(=O)C1 2230a_100000697751_100000210206 [0,0,0,0,1,0|2,0,1]=4 569 B10R1.54 CC(C)OC1CCC(=O)C1 34a_100012614533_100000210206 [0,0,0,0,1,0|2,0,1]=4 570 B10R1.54 [13CH3]C(=O)CC1CCC(=O)N1 1458a_100000026770_200025704644 [0,0,0,0,1,0|2,0,0]=3 571 B12R1.21 C=C(C)CNC1CCC(=O)NC1 2230a_100000748762_100000748629 [0,0,0,0,0,1|2,0,0]=3 572 B12R1.21 C=C(C)CNC1CCC(=O)NC1 34a_100000748762_100000748629 [0,0,0,0,0,1|2,0,0]=3 573 B12R1.21 C=C(C)CN[C@H]1CC[C@@H](CC1)C 2230a_100020625639_100000748629 [0,0,0,0,0,1|2,0,1]=4 574 B12R1.21 C=C(C)CN[C@H]1CC[C@@H](CC1)C 34a_100020625639_100000748629 [0,0,0,0,0,1|2,0,1]=4 575 B12R1.21 C=C(C)COC1CCC(=O)CC1 34a_100000764474_100000748629 [0,0,0,0,0,1|2,0,0]=3 576 B12R1.21 C=C(C)COC1CCC(=O)CC1 7a_100000764474_100000748629 [0,0,0,0,0,1|2,0,0]=3 577 B12R1.21 C=C(C)COC1CCC(=O)NC1 34a_100000079199_100000748629 [0,0,0,0,0,1|3,0,0]=4 578 B12R1.21 C=C(F)CNC1CCC(=O)NC1 2230a_100000748762_100009893438 [0,0,0,0,0,1|2,0,1]=4 579 B12R1.21 C=C(F)CNC1CCC(=O)NC1 34a_100000748762_100009893438 [0,0,0,0,0,1|2,0,1]=4 580 B12R1.21 C=C(F)COC1CCC(=O)CC1 34a_100000764474_100009893438 [0,0,0,0,0,1|2,0,1]=4 581 B12R1.21 C=C(F)COC1CCC(=O)CC1 7a_100000764474_100000042424 [0,0,0,0,0,1|2,0,1]=4 582 B12R1.21 C=C1CCC(=NNC(=O)C)CC1 4a_100000189765_100010272673 [0,0,0,0,0,1|1,0,1]=3 583 B12R1.21 C=C1CCC(CC1)NCC(C)C 270004a_100000210953_100010272673 [0,0,0,0,0,1|2,0,1]=4 584 B12R1.21 C=C1CCC(CC1)NCC(C)O 270004a_100000210904_100010272673 [0,0,0,0,0,1|1,0,2]=4 585 B12R1.21 C=C1CCN(CC1)CCC(=O)C 269982a_100000752442_100000053229 [0,0,0,0,0,1|3,0,0]=4 586 B12R1.21 C=C1CCN(CC1)COC(=O)C 269982a_100000752442_100000076356 [0,0,0,0,0,1|3,0,0]=4 587 B12R1.21 C=C1CCN(CC1)COC(=O)C 34a_100000752442_100009813279 [0,0,0,0,0,1|3,0,0]=4 588 B12R1.21 CC(=O)CCN1CCS(=O)CC1 269982a_100000752083_100000053229 [0,0,0,0,0,1|3,0,0]=4 589 B12R1.21 CC(=O)COC1CCC(CC1)C 34a_100000211253_200011216234 [0,0,0,0,0,1|2,0,1]=4 590 B12R1.21 CC(=O)NCC1CCC(CC1)C 11a_103436935547_100015343762 [0,0,0,0,0,1|1,0,1]=3 591 B12R1.21 CC(=O)NCC1CCC(CC1)C 1626a_103436935547_100015343762 [0,0,0,0,0,1|1,0,1]=3 592 B12R1.21 CC(=O)NCC1CCC(CC1)C 240690a_103436935547_100015343762 [0,0,0,0,0,1|1,0,1]=3 593 B12R1.21 CC(=O)NCC1CCC(CC1)C 527a_103436935547_100103153847 [0,0,0,0,0,1|1,0,1]=3 594 B12R1.21 CC(=O)NCC1CCN(CC1)C 2230a_100011206997_200000210301 [0,0,0,0,0,1|2,0,0]=3 595 B12R1.21 CC(=O)NCC1CCN(CC1)C 240690a_100000746316_100015343762 [0,0,0,0,0,1|2,0,0]=3 596 B12R1.21 CC(=O)NCC1CCN(CC1)C 269982a_100011206997_200000210301 [0,0,0,0,0,1|2,0,0]=3 597 B12R1.21 CC(=O)NCC1CCN(CC1)C 34a_100011206997_200000210301 [0,0,0,0,0,1|2,0,0]=3 598 B12R1.21 CC(=O)NCC1CCN(CC1)C 527a_100000746316_100103153847 [0,0,0,0,0,1|2,0,0]=3 599 B12R1.21 CC(=O)NCC1CCN(CC1)[13CH3] 2230a_100011206997_200025704644 [0,0,0,0,0,1|2,0,0]=3 600 B12R1.21 CC(=O)NCC1CCN(CC1)[13CH3] 269982a_100011206997_200025704644 [0,0,0,0,0,1|2,0,0]=3 601 B12R1.21 CC(=O)NCC1CCN(CC1)[13CH3] 34a_100011206997_200025704644 [0,0,0,0,0,1|2,0,0]=3 602 B12R1.21 CC(=O)NN=C1CCC(CC1)C 4a_100000189765_100000185489 [0,0,0,0,0,1|1,0,2]=4 603 B12R1.21 CC(=O)NN=C1CCC(CC1)O 4a_100000189765_100000764474 [0,0,0,0,0,1|0,0,3]=4 604 B12R1.21 CC(=O)NN=C1CCS(=O)CC1 4a_100000189765_100000054990 [0,0,0,0,0,1|1,0,1]=3 605 B12R1.21 CC(=O)NNC1CCN(CC1)C 22a_100015184029_100000070787 [0,0,0,0,0,1|2,0,0]=3 606 B12R1.21 CC(=O)OCC1CCN(CC1)C 2230a_100025751628_200000210301 [0,0,0,0,0,1|3,0,0]=4 607 B12R1.21 CC(=O)OCC1CCN(CC1)C 269982a_100025751628_200000210301 [0,0,0,0,0,1|3,0,0]=4 608 B12R1.21 CC(=O)OCC1CCN(CC1)[13CH3] 2230a_100025751628_200025704644 [0,0,0,0,0,1|3,0,0]=4 609 B12R1.21 CC(=O)OCC1CCN(CC1)[13CH3] 269982a_100025751628_200025704644 [0,0,0,0,0,1|3,0,0]=4 610 B12R1.21 CC(=O)OCN1CCS(=O)CC1 269982a_100000752083_100000076356 [0,0,0,0,0,1|3,0,0]=4 611 B12R1.21 CC(C)CNC1CCC(=O)NC1 2230a_100000748762_100000210760 [0,0,0,0,0,1|2,0,1]=4 612 B12R1.21 CC(C)CNC1CCC(=O)NC1 270004a_100000748762_100000210432 [0,0,0,0,0,1|2,0,1]=4 613 B12R1.21 CC(C)CNC1CCC(=O)NC1 34a_100000748762_100000210624 [0,0,0,0,0,1|2,0,1]=4 614 B12R1.21 CC(C)COC1CCC(=O)CC1 34a_100000764474_100000210624 [0,0,0,0,0,1|2,0,1]=4 615 B12R1.21 CC(C)COC1CCC(=O)CC1 7a_100000764474_100000210760 [0,0,0,0,0,1|2,0,1]=4 616 B12R1.21 CC(C)OCC1CCC(=O)CC1 34a_100000062911_100000210206 [0,0,0,0,0,1|2,0,1]=4 617 B12R1.21 CC(O)CNC1CCC(=O)NC1 2230a_100000748762_100011218427 [0,0,0,0,0,1|1,0,2]=4 618 B12R1.21 CC(O)CNC1CCC(=O)NC1 34a_100000748762_100011218427 [0,0,0,0,0,1|1,0,2]=4 619 B12R1.21 CC(O)COC1CCC(=O)CC1 34a_100000764474_100011218427 [0,0,0,0,0,1|1,0,2]=4 620 B12R1.21 CC(O)COC1CCC(=O)CC1 7a_100000764474_100011218427 [0,0,0,0,0,1|1,0,2]=4 621 B12R1.21 CC1CCC(CC1)NCC(=O)O 269956a_100016091260_200011216234 [0,0,0,0,0,1|2,0,1]=4 622 B12R1.21 CN1CCC(CC1)NCC(=O)O 269956a_100016091260_100011215917 [0,0,0,0,0,1|3,0,0]=4 623 B12R1.21 C[C@@H](O)CNC1CCC(=O)NC1 2230a_100000748762_100009817552 [0,0,0,0,0,1|1,0,2]=4 624 B12R1.21 C[C@@H](O)CNC1CCC(=O)NC1 34a_100000748762_100009817552 [0,0,0,0,0,1|1,0,2]=4 625 B12R1.21 C[C@@H](O)COC1CCC(=O)CC1 34a_100000764474_100009817552 [0,0,0,0,0,1|1,0,2]=4 626 B12R1.21 C[C@@H](O)COC1CCC(=O)CC1 7a_100000764474_100009817552 [0,0,0,0,0,1|1,0,2]=4 627 B12R1.21 C[C@H]1CC[C@@H](CC1)NCC(=O)N 2230a_100020625639_100000747473 [0,0,0,0,0,1|2,0,1]=4 628 B12R1.21 C[C@H]1CC[C@@H](CC1)NCC(=O)N 34a_100020625639_100000187820 [0,0,0,0,0,1|2,0,1]=4 629 B12R1.21 C[C@H]1CC[C@@H](CC1)NCC(=O)[O-] 34a_100020625639_100020667443 [0,0,0,0,0,1|2,0,1]=4 630 B12R1.21 NC(=O)CNC1CCC(=O)NC1 2230a_100000748762_100000747473 [0,0,0,0,0,1|2,0,0]=3 631 B12R1.21 NC(=O)CNC1CCC(=O)NC1 34a_100000748762_100000187820 [0,0,0,0,0,1|2,0,0]=3 632 B12R1.21 NC(=O)COC1CCC(=O)CC1 34a_100000764474_100000187820 [0,0,0,0,0,1|2,0,0]=3 633 B12R1.21 NC(=O)COC1CCC(=O)CC1 7a_100000764474_100000187820 [0,0,0,0,0,1|2,0,0]=3 634 B12R1.21 NC(=O)COC1CCC(=O)NC1 34a_100000079199_100000187820 [0,0,0,0,0,1|3,0,0]=4 635 B12R1.21 O=C([O-])CNC1CCC(=O)NC1 34a_100000748762_100020667443 [0,0,0,0,0,1|2,0,0]=3 636 B12R1.21 O=C([O-])COC1CCC(=O)CC1 34a_100000764474_100020667443 [0,0,0,0,0,1|2,0,0]=3 637 B12R1.21 O=C([O-])COC1CCC(=O)NC1 34a_100000079199_100020667443 [0,0,0,0,0,1|3,0,0]=4 638 B12R1.21 O=C1CCC(CC1)OC[N+](=O)[O-] 34a_100000764474_100000761209 [0,0,0,0,0,1|3,0,0]=4 639 B12R1.21 O=C1CCC(CN1)NC[N+](=O)[O-] 34a_100000748762_100000761209 [0,0,0,0,0,1|3,0,0]=4 640 B12R1.1020 C=C(C)CN1CCNC(=O)CC1 2230a_100000698595_100000748629 [0,0,0,0,0,1|3,0,0]=4 641 B12R1.1020 C=C(C)CN1CCNC(=O)CC1 269982a_100000698595_100000748629 [0,0,0,0,0,1|3,0,0]=4 642 B12R1.1020 NC(=O)CN1CCNC(=O)CC1 2230a_100000698595_100000747473 [0,0,0,0,0,1|3,0,0]=4 643 B12R1.1020 NC(=O)CN1CCNC(=O)CC1 269982a_100000698595_100000187820 [0,0,0,0,0,1|3,0,0]=4 644 B12R1.1020 O=C([O-])CN1CCNC(=O)CC1 269982a_100000698595_100020667443 [0,0,0,0,0,1|3,0,0]=4 645 B9R0.2 CC(=O)NCCCCCO 240690a_100000762737_100015343762 [1,0,1,0,0,0|1,0,1]=4 646 B9R0.2 CC(=O)NCCCCN[13CH3] 2230a_200011368371_200025704644 [1,0,1,0,0,0|1,0,1]=4 647 B9R0.2 CC(=O)NCCCCN[13CH3] 34a_200011368371_200025704644 [1,0,1,0,0,0|1,0,1]=4 648 B9R0.2 CC(=O)NCCCNCF 34a_100000736810_100015361967 [1,0,1,0,0,0|2,0,0]=4 649 B9R0.2 CC(=O)NCCCOCF 34a_100000752032_100015361967 [1,0,1,0,0,0|2,0,0]=4 650 B9R0.2 CCCCCCCC(=O)C 1458a_100000070787_100000210614 [1,0,1,0,0,0|1,0,1]=4 651 B9R0.2 CCCCCCCC(=O)C 1458a_100000211969_200000210301 [1,0,1,0,0,0|1,0,1]=4 652 B9R0.2 CCCCCCCC(=O)[13CH3] 1458a_100000211969_200025704644 [1,0,1,0,0,0|1,0,1]=4 653 B9R0.2 CCCCCCNC(=O)C 11a_100000210581_100015343762 [1,0,1,0,0,0|0,0,1]=3 654 B9R0.2 CCCCCCNC(=O)C 1626a_100000210581_100015343762 [1,0,1,0,0,0|0,0,1]=3 655 B9R0.2 CCCCCCNC(=O)C 240690a_100000210581_100015343762 [1,0,1,0,0,0|0,0,1]=3 656 B9R0.2 CCCCCCNC(=O)C 527a_100000210581_100103153847 [1,0,1,0,0,0|0,0,1]=3 657 B9R0.2 CCCCCNNC(=O)C 22a_100000694160_100000070787 [1,0,1,0,0,0|1,0,1]=4 658 B9R0.2 CCCNCCNC(=O)C 2230a_100000209853_100000210303 [1,0,1,0,0,0|1,0,1]=4 659 B9R0.2 CCCOCCNC(=O)C 1626a_100161115042_100015343762 [1,0,1,0,0,0|1,0,1]=4 660 B9R0.2 CCCOCCNC(=O)C 240690a_100161115042_100015343762 [1,0,1,0,0,0|1,0,1]=4 661 B9R0.2 CCCOCCNC(=O)C 34a_100000158858_100000210303 [1,0,1,0,0,0|1,0,1]=4 662 B9R0.2 CCCOCCNC(=O)C 527a_100161115042_100103153847 [1,0,1,0,0,0|1,0,1]=4 663 B9R0.2 CCCSCCNC(=O)C 11a_100020603323_100015343762 [1,0,1,0,0,0|1,0,1]=4 664 B9R0.2 CCCSCCNC(=O)C 240690a_100020603323_100015343762 [1,0,1,0,0,0|1,0,1]=4 665 B9R0.2 CCCSCCNC(=O)C 527a_100020603323_100103153847 [1,0,1,0,0,0|1,0,1]=4 666 B9R0.2 CCCSCCNC(=O)C 62a_100000189650_100000210303 [1,0,1,0,0,0|1,0,1]=4 667 B9R0.2 CCCSCCNC(=O)C 62a_100000210303_100000189650 [1,0,1,0,0,0|1,0,1]=4 668 B9R0.2 CCNCCCNC(=O)C 34a_100000736810_100000210202 [1,0,1,0,0,0|1,0,0]=3 669 B9R0.2 CCNCCCSC(=O)C 2230a_100015525214_100000038929 [1,0,1,0,0,0|2,0,0]=4 670 B9R0.2 CCOCCCCC(=O)C 34a_100121572206_100009817362 [1,0,1,0,0,0|2,0,0]=4 671 B9R0.2 CCOCCCNC(=O)C 11a_100000210961_100015343762 [1,0,1,0,0,0|1,0,0]=3 672 B9R0.2 CCOCCCNC(=O)C 1626a_100000210961_100015343762 [1,0,1,0,0,0|1,0,0]=3 673 B9R0.2 CCOCCCNC(=O)C 240690a_100000210961_100015343762 [1,0,1,0,0,0|1,0,0]=3 674 B9R0.2 CCOCCCNC(=O)C 34a_100000752032_100000210202 [1,0,1,0,0,0|1,0,0]=3 675 B9R0.2 CCOCCCNC(=O)C 527a_100000210961_100103153847 [1,0,1,0,0,0|1,0,0]=3 676 B9R0.2 CCOCCCOC(=O)C 34a_100121572206_100000042594 [1,0,1,0,0,0|2,0,0]=4 677 B9R0.2 CCOCCCSC(=O)C 34a_100121572206_100000038929 [1,0,1,0,0,0|2,0,0]=4 678 B9R0.2 CCOCCNNC(=O)C 22a_100000732670_100000070787 [1,0,1,0,0,0|2,0,0]=4 679 B9R0.2 CCSCCCCC(=O)C 62a_100000210202_100000735457 [1,0,1,0,0,0|2,0,0]=4 680 B9R0.2 CCSCCCCC(=O)C 62a_100000735457_100000210202 [1,0,1,0,0,0|2,0,0]=4 681 B9R0.2 CCSCCCOC(=O)C 62a_100000042594_100000210202 [1,0,1,0,0,0|2,0,0]=4 682 B9R0.2 CCSCCCOC(=O)C 62a_100000210202_100000042594 [1,0,1,0,0,0|2,0,0]=4 683 B9R0.2 CCSCCCSC(=O)C 62a_100000038929_100000210202 [1,0,1,0,0,0|2,0,0]=4 684 B9R0.2 CCSCCCSC(=O)C 62a_100000210202_100000038929 [1,0,1,0,0,0|2,0,0]=4 685 B9R0.2 CNCCCCNC(=O)C 2230a_200011368371_200000210301 [1,0,1,0,0,0|1,0,1]=4 686 B9R0.2 CNCCCCNC(=O)C 34a_200011368371_200000210301 [1,0,1,0,0,0|1,0,1]=4 687 B9R0.46 C/C=C/COCC(=O)CC 34a_100000725409_100102629194 [1,0,1,0,0,0|2,0,0]=4 688 B9R0.46 C/C=C/CSCC(=O)CC 62a_100000747405_100102629194 [1,0,1,0,0,0|2,0,0]=4 689 B9R0.46 C/C=C/CSCC(=O)CC 62a_100102629194_100000747405 [1,0,1,0,0,0|2,0,0]=4 690 B9R0.46 C=CCCCCC(=O)CC 1458a_100000210414_100011215482 [1,0,1,0,0,0|1,0,1]=4 691 B9R0.46 C=CCCCCC(=O)CC 1458a_100011215552_100000210202 [1,0,1,0,0,0|1,0,1]=4 692 B9R0.46 CC=CCOCC(=O)CC 34a_100000725409_100000070051 [1,0,1,0,0,0|2,0,0]=4 693 B9R0.46 CC=CCSCC(=O)CC 62a_100000070051_100000747405 [1,0,1,0,0,0|2,0,0]=4 694 B9R0.46 CC=CCSCC(=O)CC 62a_100000747405_100000070051 [1,0,1,0,0,0|2,0,0]=4 695 B9R0.46 CCC(=O)CCCCOC 1458a_100000210414_100000755781 [1,0,1,0,0,0|2,0,0]=4 696 B9R0.46 CCCCCCC(=O)CC 1458a_100000210414_100000210757 [1,0,1,0,0,0|1,0,1]=4 697 B9R0.46 CCCCCCC(=O)CC 1458a_100102632555_100000210202 [1,0,1,0,0,0|1,0,1]=4 698 B9R0.46 CCNCCCC(=O)NC 2230a_100000740002_100000210202 [1,0,1,0,0,0|1,0,1]=4 699 B9R0.46 CCNCCCC(=O)NC 2230a_100015525214_100000741757 [1,0,1,0,0,0|1,0,1]=4 700 B9R0.46 CCNCCCC(=O)NC 34a_100000740002_100000210202 [1,0,1,0,0,0|1,0,1]=4 701 B9R0.46 CCNCCCC(=O)OC 2230a_100015525214_100011218270 [1,0,1,0,0,0|1,0,1]=4 702 B9R0.46 CCNCCNC(=O)CC 34a_100132302217_100000210202 [1,0,1,0,0,0|1,0,1]=4 703 B9R0.46 CCOCCCC(=O)CC 1458a_100000210414_100012232248 [1,0,1,0,0,0|1,0,1]=4 704 B9R0.55 CC(=O)CCCCC(=O)C 1458a_100000070787_100000735457 [1,0,1,0,0,0|1,0,0]=3 705 B9R0.55 CC(=O)CCCNC(=O)C 1458a_100000194741_200000210301 [1,0,1,0,0,0|0,0,0]=2 706 B9R0.55 CC(=O)CCCNC(C)C 34a_100138425928_100000685027 [1,0,1,0,0,0|1,0,1]=4 707 B9R0.55 CC(=O)CCCOC(=O)C 1458a_100000070787_100000042594 [1,0,1,0,0,0|1,0,0]=3 708 B9R0.55 CC(=O)CCCOC(=S)C 1458a_100000070787_200135323944 [1,0,1,0,0,0|1,1,0]=4 709 B9R0.55 CC(=O)CCCSC(=O)C 1458a_100000070787_100000038929 [1,0,1,0,0,0|1,0,0]=3 710 B9R0.55 CC(=O)COCOC(=O)C 34a_100000211253_100009813279 [1,0,1,0,0,0|2,0,0]=4 711 B9R0.55 CC(=O)NCCCC(=O)N 240690a_100000739312_100015343762 [1,0,1,0,0,0|1,0,0]=3 712 B9R0.55 CC(=O)NCCCC(=O)N 527a_100000739312_100103153847 [1,0,1,0,0,0|1,0,0]=3 713 B9R0.55 CC(=O)NCCCC(=O)[13CH3] 1458a_100000194741_200025704644 [1,0,1,0,0,0|0,0,0]=2 714 B9R0.55 CC(=O)NCCCC(C)C 11a_200000737386_100015343762 [1,0,1,0,0,0|1,0,1]=4 715 B9R0.55 CC(=O)NCCCC(C)C 1626a_200000737386_100015343762 [1,0,1,0,0,0|1,0,1]=4 716 B9R0.55 CC(=O)NCCCC(C)C 240690a_200000737386_100015343762 [1,0,1,0,0,0|1,0,1]=4 717 B9R0.55 CC(=O)NCCCC(C)C 527a_200000737386_100103153847 [1,0,1,0,0,0|1,0,1]=4 718 B9R0.55 CC(=O)NCCCN(C)C 240690a_102531767803_100015343762 [1,0,1,0,0,0|2,0,0]=4 719 B9R0.55 CC(=O)NCCCN(C)C 527a_102531767803_100103153847 [1,0,1,0,0,0|2,0,0]=4 720 B9R0.55 CC(=O)NCCCS(=O)C 11a_200000753449_100015343762 [1,0,1,0,0,0|1,0,0]=3 721 B9R0.55 CC(=O)NCCCS(=O)C 240690a_200000753449_100015343762 [1,0,1,0,0,0|1,0,0]=3 722 B9R0.55 CC(=O)NCCCS(=O)C 527a_200000753449_100103153847 [1,0,1,0,0,0|1,0,0]=3 723 B9R0.55 CC(=O)NCCNC(=O)C 240690a_100000209853_100015343762 [1,0,1,0,0,0|1,0,0]=3 724 B9R0.55 CC(=O)NCCNC(=O)C 527a_100000209853_100103153847 [1,0,1,0,0,0|1,0,0]=3 725 B9R0.55 CC(=O)NCCNC(=O)N 240690a_100020590234_100015343762 [1,0,1,0,0,0|2,0,0]=4 726 B9R0.55 CC(=O)NCCNC(=O)N 527a_100020590234_100103153847 [1,0,1,0,0,0|2,0,0]=4 727 B9R0.55 CC(=O)NCCOC(=O)C 11a_100000724843_100015343762 [1,0,1,0,0,0|1,0,0]=3 728 B9R0.55 CC(=O)NCCOC(=O)C 240690a_100000724843_100015343762 [1,0,1,0,0,0|1,0,0]=3 729 B9R0.55 CC(=O)NCCOC(=O)C 527a_100000724843_100103153847 [1,0,1,0,0,0|1,0,0]=3 730 B9R0.55 CC(=O)NCCSC(=O)C 11a_100020647217_100015343762 [1,0,1,0,0,0|1,0,0]=3 731 B9R0.55 CC(=O)NCCSC(=O)C 240690a_100020647217_100015343762 [1,0,1,0,0,0|1,0,0]=3 732 B9R0.55 CC(=O)NCCSC(=O)C 527a_100020647217_100103153847 [1,0,1,0,0,0|1,0,0]=3 733 B9R0.4 CC(=O)OC(C)SCC=O 62a_100009818208_200015260668 [1,0,1,0,0,0|2,0,0]=4 734 B9R0.4 CC(=O)OC(C)SCC=O 62a_200015260668_100009818208 [1,0,1,0,0,0|2,0,0]=4 735 B9R0.4 CCCCC(C)NC(=O)C 11a_100000126638_100015343762 [1,0,1,0,0,0|0,0,1]=3 736 B9R0.4 CCCCC(C)NC(=O)C 1626a_100000126638_100015343762 [1,0,1,0,0,0|0,0,1]=3 737 B9R0.4 CCCCC(C)NC(=O)C 240690a_100000126638_100015343762 [1,0,1,0,0,0|0,0,1]=3 738 B9R0.4 CCCCC(C)NC(=O)C 527a_100000126638_100103153847 [1,0,1,0,0,0|0,0,1]=3 739 B9R0.14 C=CC[C@H](CO)NC(=O)C 240690a_100020615467_100015343762 [1,0,1,0,0,0|1,0,1]=4 740 B9R0.14 C=CC[C@H](CO)NC(=O)C 527a_100020615467_100103153847 [1,0,1,0,0,0|1,0,1]=4 741 B9R0.14 CCC(COC)NC(=O)C 11a_100000757820_100015343762 [1,0,1,0,0,0|1,0,1]=4 742 B9R0.14 CCC(COC)NC(=O)C 1626a_100000757820_100015343762 [1,0,1,0,0,0|1,0,1]=4 743 B9R0.14 CCC(COC)NC(=O)C 240690a_100000757820_100015343762 [1,0,1,0,0,0|1,0,1]=4 744 B9R0.14 CCC(COC)NC(=O)C 527a_100000757820_100103153847 [1,0,1,0,0,0|1,0,1]=4 745 B9R0.14 CCCC(CC)NC(=O)C 11a_100000747048_100015343762 [1,0,1,0,0,0|0,0,1]=3 746 B9R0.14 CCCC(CC)NC(=O)C 1626a_100000747048_100015343762 [1,0,1,0,0,0|0,0,1]=3 747 B9R0.14 CCCC(CC)NC(=O)C 240690a_100000747048_100015343762 [1,0,1,0,0,0|0,0,1]=3 748 B9R0.14 CCCC(CC)NC(=O)C 527a_100000747048_100103153847 [1,0,1,0,0,0|0,0,1]=3 749 B9R0.14 CCC[C@@H](CO)NC(=O)C 240690a_100000732646_100015343762 [1,0,1,0,0,0|1,0,1]=4 750 B9R0.14 CCC[C@@H](CO)NC(=O)C 527a_100000732646_100103153847 [1,0,1,0,0,0|1,0,1]=4 751 B9R0.14 CC[C@H](CC#N)NC(=O)C 11a_200009818565_100015343762 [1,0,1,0,0,0|1,0,1]=4 752 B9R0.14 CC[C@H](CC#N)NC(=O)C 1626a_200009818565_100015343762 [1,0,1,0,0,0|1,0,1]=4 753 B9R0.14 CC[C@H](CC#N)NC(=O)C 240690a_200009818565_100015343762 [1,0,1,0,0,0|1,0,1]=4 754 B9R0.14 CC[C@H](CC#N)NC(=O)C 527a_200009818565_100103153847 [1,0,1,0,0,0|1,0,1]=4 755 B9R0.48 C=C(C)CCC(C)NCC 270004a_100015525214_100011215600 [1,0,1,0,0,0|1,0,1]=4 756 B9R0.48 CCNC(C)COC(=O)C 270004a_100015525214_100000000629 [1,0,1,0,0,0|1,0,1]=4 757 B9R1.1 C=C1CCC(CC1)NC 270004a_106832991635_100010272673 [2,0,0,0,0,0|1,0,0]=3 758 B9R1.1 CNC1CCC(=O)NC1 2230a_100000748762_200000210301 [2,0,0,0,0,0|1,0,0]=3 759 B9R1.1 CNC1CCC(=O)NC1 34a_100000748762_200000210301 [2,0,0,0,0,0|1,0,0]=3 760 B9R1.1 CNC1CCC(CC1)C 270004a_106832991635_100000185489 [2,0,0,0,0,0|1,0,1]=4 761 B9R1.1 CNC1CCC(CC1)C 34a_100102657272_200011216234 [2,0,0,0,0,0|1,0,1]=4 762 B9R1.1 CNC1CCC(CC1)O 270004a_106832991635_100000764474 [2,0,0,0,0,0|0,0,2]=4 763 B9R1.1 CNC1CCN(CC1)C 270004a_106832991635_100000210137 [2,0,0,0,0,0|2,0,0]=4 764 B9R1.1 CN[C@H]1CC[C@@H](CC1)C 2230a_100020625639_200000210301 [2,0,0,0,0,0|1,0,1]=4 765 B9R1.1 CN[C@H]1CC[C@@H](CC1)C 34a_100020625639_200000210301 [2,0,0,0,0,0|1,0,1]=4 766 B9R1.1 COC1CCC(=O)CC1 34a_100000764474_200000210301 [2,0,0,0,0,0|1,0,0]=3 767 B9R1.1 COC1CCC(=O)CC1 7a_100000764474_200000210301 [2,0,0,0,0,0|1,0,0]=3 768 B9R1.1 COC1CCC(=O)NC1 34a_100000079199_200000210301 [2,0,0,0,0,0|2,0,0]=4 769 B9R1.1 C[C@H]1CC[C@@H](CC1)N[13CH3] 2230a_100020625639_200025704644 [2,0,0,0,0,0|1,0,1]=4 770 B9R1.1 C[C@H]1CC[C@@H](CC1)N[13CH3] 34a_100020625639_200025704644 [2,0,0,0,0,0|1,0,1]=4 771 B9R1.1 [13CH3]NC1CCC(=O)NC1 2230a_100000748762_200025704644 [2,0,0,0,0,0|1,0,0]=3 772 B9R1.1 [13CH3]NC1CCC(=O)NC1 34a_100000748762_200025704644 [2,0,0,0,0,0|1,0,0]=3 773 B9R1.1 [13CH3]OC1CCC(=O)CC1 34a_100000764474_200025704644 [2,0,0,0,0,0|1,0,0]=3 774 B9R1.1 [13CH3]OC1CCC(=O)CC1 7a_100000764474_200025704644 [2,0,0,0,0,0|1,0,0]=3 775 B9R1.1 [13CH3]OC1CCC(=O)NC1 34a_100000079199_200025704644 [2,0,0,0,0,0|2,0,0]=4 776 B9R1.8 CCNC1CCCCC1 2230a_100000182618_100000210202 [2,0,0,0,0,0|0,0,2]=4 777 B9R1.8 CCNC1CCCCC1 270004a_100015525214_100000210434 [2,0,0,0,0,0|0,0,2]=4 778 B9R1.8 CCNC1CCCCC1 34a_100000182618_100000210202 [2,0,0,0,0,0|0,0,2]=4 779 B9R1.8 CCNC1CCNCC1 270004a_100015525214_100015192401 [2,0,0,0,0,0|1,0,1]=4 780 B9R1.8 CCNC1CCOCC1 2230a_100000741149_100000210202 [2,0,0,0,0,0|1,0,1]=4 781 B9R1.8 CCNC1CCOCC1 270004a_100015525214_100011217826 [2,0,0,0,0,0|1,0,1]=4 782 B9R1.8 CCNC1CCOCC1 34a_100000741149_100000210202 [2,0,0,0,0,0|1,0,1]=4 783 B9R1.8 CCNC1CCSCC1 2230a_100000748639_100000210202 [2,0,0,0,0,0|1,0,1]=4 784 B9R1.8 CCNC1CCSCC1 270004a_100015525214_100000203788 [2,0,0,0,0,0|1,0,1]=4 785 B9R1.8 CCNC1CCSCC1 34a_100000748639_100000210202 [2,0,0,0,0,0|1,0,1]=4 786 B11R0.22 CCN(CC)CCCNC(=O)C 1626a_100000211093_100015343762 [0,1,1,0,0,0|2,0,0]=4 787 B11R0.22 CCN(CC)CCCNC(=O)C 240690a_100000211093_100015343762 [0,1,1,0,0,0|2,0,0]=4 788 B11R0.29 C=C(C)C(=O)CCCCC(=O)C 1458a_100000185857_100000735457 [0,1,1,0,0,0|1,0,1]=4 789 B11R0.29 C=C(C)C(=O)CCCOC(=O)C 1458a_100000185857_100000042594 [0,1,1,0,0,0|1,0,1]=4 790 B11R0.29 C=C(C)C(=O)CCCSC(=O)C 1458a_100000185857_100000038929 [0,1,1,0,0,0|1,0,1]=4 791 B11R0.29 C=C(C)C(=O)NCCNC(=O)C 11a_100102636416_100015343762 [0,1,1,0,0,0|1,0,1]=4 792 B11R0.29 C=C(C)C(=O)NCCNC(=O)C 527a_100102636416_100103153847 [0,1,1,0,0,0|1,0,1]=4 793 B11R0.29 CC(=O)CCCCC(=O)C(C)C 1458a_100000210198_100000735457 [0,1,1,0,0,0|1,0,0]=3 794 B11R0.29 CC(=O)CCCCC(=O)C(C)F 1458a_100000062450_100000735457 [0,1,1,0,0,0|1,0,0]=3 795 B11R0.29 CC(=O)CCCCC(=O)C(O)O 1458a_100000233687_100000735457 [0,1,1,0,0,0|2,0,0]=4 796 B11R0.29 CC(=O)CCCCC(=O)N(C)C 1458a_100000070787_100000752486 [0,1,1,0,0,0|2,0,0]=4 797 B11R0.29 CC(=O)CCCCC(=O)[C@@H](C)O 1458a_100000717761_100000735457 [0,1,1,0,0,0|1,0,0]=3 798 B11R0.29 CC(=O)CCCCC(=O)[C@H](C)O 1458a_217856618621_100000735457 [0,1,1,0,0,0|1,0,0]=3 799 B11R0.29 CC(=O)CCOCC(=O)C(C)C 34a_100000759926_100000753385 [0,1,1,0,0,0|2,0,0]=4 800 B11R0.29 CC(=O)CCOCC(=O)C(C)C 7a_100000759926_100000753385 [0,1,1,0,0,0|2,0,0]=4 801 B11R0.29 CC(=O)CCSCC(=O)C(C)C 62a_100000053229_100000753385 [0,1,1,0,0,0|2,0,0]=4 802 B11R0.29 CC(=O)CCSCC(=O)C(C)C 62a_100000753385_100000053229 [0,1,1,0,0,0|2,0,0]=4 803 B11R0.29 CC(=O)NCCCC(=O)C(C)C 1458a_100000194741_100000210206 [0,1,1,0,0,0|0,0,0]=2 804 B11R0.29 CC(=O)NCCCC(=O)N(C)C 11a_100102631434_100000194741 [0,1,1,0,0,0|1,0,0]=3 805 B11R0.29 CC(=O)NCCCC(=O)N(C)C 11a_200000744827_100015343762 [0,1,1,0,0,0|1,0,0]=3 806 B11R0.29 CC(=O)NCCCC(=O)N(C)C 1626a_100102631434_100000194741 [0,1,1,0,0,0|1,0,0]=3 807 B11R0.29 CC(=O)NCCCC(=O)N(C)C 240690a_100102631434_100000194741 [0,1,1,0,0,0|1,0,0]=3 808 B11R0.29 CC(=O)NCCCC(=O)N(C)C 240690a_200000744827_100015343762 [0,1,1,0,0,0|1,0,0]=3 809 B11R0.29 CC(=O)NCCCC(=O)N(C)C 527a_100102631434_100000194741 [0,1,1,0,0,0|1,0,0]=3 810 B11R0.29 CC(=O)NCCCC(=O)N(C)C 527a_200000744827_100103153847 [0,1,1,0,0,0|1,0,0]=3 811 B11R0.29 CC(=O)NCCNC(=O)C(C)C 11a_100000752568_100015343762 [0,1,1,0,0,0|1,0,0]=3 812 B11R0.29 CC(=O)NCCNC(=O)C(C)C 240690a_100000209853_100000210198 [0,1,1,0,0,0|1,0,0]=3 813 B11R0.29 CC(=O)NCCNC(=O)C(C)C 240690a_100000752568_100015343762 [0,1,1,0,0,0|1,0,0]=3 814 B11R0.29 CC(=O)NCCNC(=O)C(C)C 527a_100000209853_100000210198 [0,1,1,0,0,0|1,0,0]=3 815 B11R0.29 CC(=O)NCCNC(=O)C(C)C 527a_100000752568_100103153847 [0,1,1,0,0,0|1,0,0]=3 816 B11R0.29 CC(=O)NCCNC(=O)C(C)F 240690a_100000209853_100000062450 [0,1,1,0,0,0|1,0,0]=3 817 B11R0.29 CC(=O)NCCNC(=O)C(C)F 527a_100000209853_100000062450 [0,1,1,0,0,0|1,0,0]=3 818 B11R0.29 CC(=O)NCCNC(=O)C(F)F 240690a_100000209853_100000210393 [0,1,1,0,0,0|2,0,0]=4 819 B11R0.29 CC(=O)NCCNC(=O)C(F)F 527a_100000209853_100000210393 [0,1,1,0,0,0|2,0,0]=4 820 B11R0.29 CC(=O)NCCNC(=O)C(O)O 240690a_100000209853_100000233687 [0,1,1,0,0,0|2,0,0]=4 821 B11R0.29 CC(=O)NCCNC(=O)N(C)C 2708a_100000209853_100102631434 [0,1,1,0,0,0|2,0,0]=4 822 B11R0.29 CC(=O)NCCNC(=O)[C@@H](C)O 240690a_100000209853_100000717761 [0,1,1,0,0,0|1,0,0]=3 823 B11R0.29 CC(=O)NCCNC(=O)[C@H](C)O 240690a_100000209853_217856618621 [0,1,1,0,0,0|1,0,0]=3 824 B11R0.29 CC(=O)OCCCC(=O)C(C)C 1458a_100000210198_100000042594 [0,1,1,0,0,0|1,0,0]=3 825 B11R0.29 CC(=O)OCCCC(=O)C(C)F 1458a_100000062450_100000042594 [0,1,1,0,0,0|1,0,0]=3 826 B11R0.29 CC(=O)OCCCC(=O)C(O)O 1458a_100000233687_100000042594 [0,1,1,0,0,0|2,0,0]=4 827 B11R0.29 CC(=O)OCCCC(=O)[C@@H](C)O 1458a_100000717761_100000042594 [0,1,1,0,0,0|1,0,0]=3 828 B11R0.29 CC(=O)OCCCC(=O)[C@H](C)O 1458a_217856618621_100000042594 [0,1,1,0,0,0|1,0,0]=3 829 B11R0.29 CC(=O)OCCNC(=O)C(C)C 11a_100000724843_100000210198 [0,1,1,0,0,0|2,0,0]=4 830 B11R0.29 CC(=O)OCCNC(=O)C(C)C 240690a_100000724843_100000210198 [0,1,1,0,0,0|2,0,0]=4 831 B11R0.29 CC(=O)OCCNC(=O)C(C)C 527a_100000724843_100000210198 [0,1,1,0,0,0|2,0,0]=4 832 B11R0.29 CC(=O)OCCNC(=O)C(C)F 11a_100000724843_100000062450 [0,1,1,0,0,0|2,0,0]=4 833 B11R0.29 CC(=O)OCCNC(=O)C(C)F 240690a_100000724843_100000062450 [0,1,1,0,0,0|2,0,0]=4 834 B11R0.29 CC(=O)OCCNC(=O)C(C)F 527a_100000724843_100000062450 [0,1,1,0,0,0|2,0,0]=4 835 B11R0.29 CC(=O)OCCNC(=O)[C@@H](C)O 240690a_100000724843_100000717761 [0,1,1,0,0,0|2,0,0]=4 836 B11R0.29 CC(=O)OCCNC(=O)[C@H](C)O 240690a_100000724843_217856618621 [0,1,1,0,0,0|2,0,0]=4 837 B11R0.29 CC(=O)OCSCC(=O)C(C)C 62a_100000076356_100000753385 [0,1,1,0,0,0|2,0,0]=4 838 B11R0.29 CC(=O)OCSCC(=O)C(C)C 62a_100000753385_100000076356 [0,1,1,0,0,0|2,0,0]=4 839 B11R0.29 CC(=O)SCCCC(=O)C(C)C 1458a_100000210198_100000038929 [0,1,1,0,0,0|1,0,0]=3 840 B11R0.29 CC(=O)SCCCC(=O)C(C)F 1458a_100000062450_100000038929 [0,1,1,0,0,0|1,0,0]=3 841 B11R0.29 CC(=O)SCCCC(=O)C(O)O 1458a_100000233687_100000038929 [0,1,1,0,0,0|2,0,0]=4 842 B11R0.29 CC(=O)SCCCC(=O)[C@@H](C)O 1458a_100000717761_100000038929 [0,1,1,0,0,0|1,0,0]=3 843 B11R0.29 CC(=O)SCCCC(=O)[C@H](C)O 1458a_217856618621_100000038929 [0,1,1,0,0,0|1,0,0]=3 844 B11R0.29 CC(=O)SCCNC(=O)C(C)C 11a_100020647217_100000210198 [0,1,1,0,0,0|2,0,0]=4 845 B11R0.29 CC(=O)SCCNC(=O)C(C)C 240690a_100020647217_100000210198 [0,1,1,0,0,0|2,0,0]=4 846 B11R0.29 CC(=O)SCCNC(=O)C(C)C 527a_100020647217_100000210198 [0,1,1,0,0,0|2,0,0]=4 847 B11R0.29 CC(=O)SCCNC(=O)C(C)F 11a_100020647217_100000062450 [0,1,1,0,0,0|2,0,0]=4 848 B11R0.29 CC(=O)SCCNC(=O)C(C)F 240690a_100020647217_100000062450 [0,1,1,0,0,0|2,0,0]=4 849 B11R0.29 CC(=O)SCCNC(=O)C(C)F 527a_100020647217_100000062450 [0,1,1,0,0,0|2,0,0]=4 850 B11R0.29 CC(=O)SCCNC(=O)[C@@H](C)O 240690a_100020647217_100000717761 [0,1,1,0,0,0|2,0,0]=4 851 B11R0.29 CC(=O)SCCNC(=O)[C@H](C)O 240690a_100020647217_217856618621 [0,1,1,0,0,0|2,0,0]=4 852 B11R0.29 CC(=S)OCCCC(=O)C(C)C 1458a_100000210198_200135323944 [0,1,1,0,0,0|1,1,0]=4 853 B11R0.29 CC(=S)OCCCC(=O)C(C)F 1458a_100000062450_200135323944 [0,1,1,0,0,0|1,1,0]=4 854 B11R0.29 CC(=S)OCCCC(=O)[C@@H](C)O 1458a_100000717761_200135323944 [0,1,1,0,0,0|1,1,0]=4 855 B11R0.29 CC(=S)OCCCC(=O)[C@H](C)O 1458a_217856618621_200135323944 [0,1,1,0,0,0|1,1,0]=4 856 B11R0.29 CC(C)C(=O)NCCNC(=O)N 240690a_100020590234_100000210198 [0,1,1,0,0,0|2,0,0]=4 857 B11R0.29 CC(C)C(=O)NCCNC(=O)N 527a_100020590234_100000210198 [0,1,1,0,0,0|2,0,0]=4 858 B11R0.29 CC(F)C(=O)NCCNC(=O)N 240690a_100020590234_100000062450 [0,1,1,0,0,0|2,0,0]=4 859 B11R0.29 CC(F)C(=O)NCCNC(=O)N 527a_100020590234_100000062450 [0,1,1,0,0,0|2,0,0]=4 860 B11R0.29 C[C@@H](O)C(=O)NCCNC(=O)N 240690a_100020590234_100000717761 [0,1,1,0,0,0|2,0,0]=4 861 B11R0.29 C[C@H](O)C(=O)NCCNC(=O)N 240690a_100020590234_217856618621 [0,1,1,0,0,0|2,0,0]=4 862 B11R0.93 CC(=O)SCC(C)CC(=O)CO 1458a_100000210174_200000116872 [0,1,1,0,0,0|2,0,0]=4 863 B11R0.93 CCC(=O)CC(=O)CNC(=O)C 1458a_100000194580_100000747405 [0,1,1,0,0,0|0,0,1]=3 864 B11R0.93 CCC(=O)CC(=O)CNC(=O)N 1458a_100000184981_100000747405 [0,1,1,0,0,0|1,0,1]=4 865 B11R0.93 CCC(=O)CC(=O)COC(=O)C 1458a_100000183556_100000747405 [0,1,1,0,0,0|1,0,1]=4 866 B11R0.93 CCC(=O)CC(=O)CSC(=O)C 1458a_100000049016_100000747405 [0,1,1,0,0,0|1,0,1]=4 867 B11R0.93 CCC(=O)CC(=O)NNC(=O)C 1458a_100000210414_100000181415 [0,1,1,0,0,0|1,0,1]=4 868 B11R0.93 CCC(=O)CC(C)CSC(=O)C 1458a_100000210414_200000116872 [0,1,1,0,0,0|1,0,0]=3 869 B11R0.93 CCN(C)CC(C)CNC(=O)C 1626a_100011281616_100015343762 [0,1,1,0,0,0|2,0,0]=4 870 B11R0.93 CCN(C)CC(C)CNC(=O)C 240690a_100011281616_100015343762 [0,1,1,0,0,0|2,0,0]=4 871 B11R0.93 CCN(C)CC(C)CNC(=O)C 527a_100011281616_100103153847 [0,1,1,0,0,0|2,0,0]=4 872 B11R0.93 CNC(=O)CC(=O)CNC(=O)C 1458a_100000194580_100000183359 [0,1,1,0,0,0|1,0,1]=4 873 B11R0.93 COC(=O)CC(=O)CNC(=O)C 1458a_100000194580_100000747449 [0,1,1,0,0,0|1,0,1]=4 874 B11R0.93 COC(=O)CC(O)CNC(=O)C 188690a_100025770978_100015343762 [0,1,1,0,0,0|1,0,0]=3 875 B11R0.106 C=CC(=O)NCCCC(=O)NC 240690a_100000740002_200121576911 [0,1,1,0,0,0|1,0,1]=4 876 B11R0.106 C=CC(=O)NCCNC(=O)CC 11a_114873766552_100000210414 [0,1,1,0,0,0|1,0,1]=4 877 B11R0.106 C=CC(=O)NCCNC(=O)CC 1626a_100132302217_100000185746 [0,1,1,0,0,0|1,0,1]=4 878 B11R0.106 C=CC(=O)NCCNC(=O)CC 1626a_114873766552_100000210414 [0,1,1,0,0,0|1,0,1]=4 879 B11R0.106 C=CC(=O)NCCNC(=O)CC 240690a_100132302217_200121576911 [0,1,1,0,0,0|1,0,1]=4 880 B11R0.106 C=CC(=O)NCCNC(=O)CC 527a_114873766552_100000210414 [0,1,1,0,0,0|1,0,1]=4 881 B11R0.106 CCC(=O)CCCCC(=O)OC 1458a_100000210414_100000204269 [0,1,1,0,0,0|1,0,0]=3 882 B11R0.106 CCC(=O)CCCCC(=O)OC 1458a_100000695723_100000210202 [0,1,1,0,0,0|1,0,0]=3 883 B11R0.106 CCC(=O)CCCNC(=O)OC 1458a_100000753017_100000210202 [0,1,1,0,0,0|0,0,0]=2 884 B11R0.106 CCC(=O)CCOCC(=O)OC 1458a_100000210414_100000090808 [0,1,1,0,0,0|2,0,0]=4 885 B11R0.106 CCC(=O)COCCC(=O)NC 34a_100000725409_100012179268 [0,1,1,0,0,0|2,0,0]=4 886 B11R0.106 CCC(=O)COCCC(=O)OC 34a_100000725409_100000742370 [0,1,1,0,0,0|2,0,0]=4 887 B11R0.106 CCC(=O)CSCCC(=O)NC 62a_100000737683_100000747405 [0,1,1,0,0,0|2,0,0]=4 888 B11R0.106 CCC(=O)CSCCC(=O)NC 62a_100000747405_100000737683 [0,1,1,0,0,0|2,0,0]=4 889 B11R0.106 CCC(=O)CSCCC(=O)OC 62a_100000204255_100000747405 [0,1,1,0,0,0|2,0,0]=4 890 B11R0.106 CCC(=O)CSCCC(=O)OC 62a_100000747405_100000204255 [0,1,1,0,0,0|2,0,0]=4 891 B11R0.106 CCC(=O)CSCOC(=O)OC 62a_100000747405_100000139417 [0,1,1,0,0,0|2,0,0]=4 892 B11R0.106 CCC(=O)NCCCC(=O)NC 11a_100000740002_100000210414 [0,1,1,0,0,0|1,0,0]=3 893 B11R0.106 CCC(=O)NCCCC(=O)NC 240690a_100000740002_100000210414 [0,1,1,0,0,0|1,0,0]=3 894 B11R0.106 CCC(=O)NCCCC(=O)NC 527a_100000740002_100000210414 [0,1,1,0,0,0|1,0,0]=3 895 B11R0.106 CCC(=O)NCCCC(=O)OC 188690a_100000184769_100000210414 [0,1,1,0,0,0|1,0,0]=3 896 B11R0.106 CCC(=O)NCCNC(=O)CC 11a_100132302217_100000210414 [0,1,1,0,0,0|1,0,0]=3 897 B11R0.106 CCC(=O)NCCNC(=O)CC 1626a_100132302217_100000210414 [0,1,1,0,0,0|1,0,0]=3 898 B11R0.106 CCC(=O)NCCNC(=O)CC 240690a_100132302217_100000210414 [0,1,1,0,0,0|1,0,0]=3 899 B11R0.106 CCC(=O)NCCNC(=O)CC 527a_100132302217_100000210414 [0,1,1,0,0,0|1,0,0]=3 900 B11R0.106 CCC(=O)NCCNC(=O)CO 240690a_100132302217_100000210174 [0,1,1,0,0,0|1,0,0]=3 901 B11R0.106 CCC(=O)NCCNC(=O)CO 527a_100132302217_100000210174 [0,1,1,0,0,0|1,0,0]=3 902 B11R0.106 CCC(=O)NCCNC(=O)NC 11a_100015205895_100000210414 [0,1,1,0,0,0|1,0,0]=3 903 B11R0.106 CCC(=O)NCCNC(=O)NC 240690a_100015205895_100000210414 [0,1,1,0,0,0|1,0,0]=3 904 B11R0.106 CCC(=O)NCCNC(=O)NC 2708a_100102657272_100132302217 [0,1,1,0,0,0|1,0,0]=3 905 B11R0.106 CCC(=O)NCCNC(=O)NC 2708a_100132302217_106832991635 [0,1,1,0,0,0|1,0,0]=3 906 B11R0.106 CCC(=O)NCCNC(=O)NC 273464a_100102657272_100132302217 [0,1,1,0,0,0|1,0,0]=3 907 B11R0.106 CCC(=O)NCCNC(=O)NC 273464a_100132302217_100102657272 [0,1,1,0,0,0|1,0,0]=3 908 B11R0.106 CCC(=O)NCCNC(=O)NC 512a_100132302217_100102657272 [0,1,1,0,0,0|1,0,0]=3 909 B11R0.106 CCC(=O)NCCNC(=O)NC 512a_106832991638_100132302217 [0,1,1,0,0,0|1,0,0]=3 910 B11R0.106 CCC(=O)NCCNC(=O)NC 527a_100015205895_100000210414 [0,1,1,0,0,0|1,0,0]=3 911 B11R0.106 CNC(=O)CCCCC(=O)OC 11a_106832991635_100000695723 [0,1,1,0,0,0|2,0,0]=4 912 B11R0.106 CNC(=O)CCCCC(=O)OC 1626a_100102657272_100000695723 [0,1,1,0,0,0|2,0,0]=4 913 B11R0.106 CNC(=O)CCCCC(=O)OC 240690a_100102657272_100000695723 [0,1,1,0,0,0|2,0,0]=4 914 B11R0.106 CNC(=O)CCCCC(=O)OC 527a_100102657272_100000695723 [0,1,1,0,0,0|2,0,0]=4 915 B11R0.106 CNC(=O)CCCNC(=O)CO 240690a_100000740002_100000210174 [0,1,1,0,0,0|1,0,0]=3 916 B11R0.106 CNC(=O)CCCNC(=O)CO 527a_100000740002_100000210174 [0,1,1,0,0,0|1,0,0]=3 917 B11R0.106 CNC(=O)CCCNC(=O)NC 2708a_100000740002_106832991635 [0,1,1,0,0,0|1,0,0]=3 918 B11R0.106 CNC(=O)CCCNC(=O)NC 2708a_100102657272_100000740002 [0,1,1,0,0,0|1,0,0]=3 919 B11R0.106 CNC(=O)CCCNC(=O)NC 273464a_100000740002_100102657272 [0,1,1,0,0,0|1,0,0]=3 920 B11R0.106 CNC(=O)CCCNC(=O)NC 273464a_100102657272_100000740002 [0,1,1,0,0,0|1,0,0]=3 921 B11R0.106 CNC(=O)CCCNC(=O)NC 512a_100000740002_100102657272 [0,1,1,0,0,0|1,0,0]=3 922 B11R0.106 CNC(=O)CCCNC(=O)NC 512a_106832991638_100000740002 [0,1,1,0,0,0|1,0,0]=3 923 B11R0.106 CNC(=O)CCCNC(=O)OC 11a_106832991635_100000753017 [0,1,1,0,0,0|1,0,0]=3 924 B11R0.106 CNC(=O)CCCNC(=O)OC 1626a_100102657272_100000753017 [0,1,1,0,0,0|1,0,0]=3 925 B11R0.106 CNC(=O)CCCNC(=O)OC 240690a_100102657272_100000753017 [0,1,1,0,0,0|1,0,0]=3 926 B11R0.106 CNC(=O)CCCNC(=O)OC 527a_100102657272_100000753017 [0,1,1,0,0,0|1,0,0]=3 927 B11R0.106 CNC(=O)NCCNC(=O)CO 240690a_100015205895_100000210174 [0,1,1,0,0,0|2,0,0]=4 928 B11R0.106 CNC(=O)NCCNC(=O)CO 527a_100015205895_100000210174 [0,1,1,0,0,0|2,0,0]=4 929 B11R0.106 CNC(=O)NCCNC(=O)NC 2708a_100102657272_100015205895 [0,1,1,0,0,0|2,0,0]=4 930 B11R0.106 CNC(=O)NCCNC(=O)NC 273464a_100015205895_100102657272 [0,1,1,0,0,0|2,0,0]=4 931 B11R0.106 CNC(=O)NCCNC(=O)NC 273464a_100102657272_100015205895 [0,1,1,0,0,0|2,0,0]=4 932 B11R0.106 CNC(=O)NCCNC(=O)NC 512a_100015205895_100102657272 [0,1,1,0,0,0|2,0,0]=4 933 B11R0.106 CNC(=O)NCCNC(=O)NC 512a_106832991638_100015205895 [0,1,1,0,0,0|2,0,0]=4 934 B11R0.106 COC(=O)CCCCC(=O)CF 1458a_100000695723_100015361967 [0,1,1,0,0,0|2,0,0]=4 935 B11R0.106 COC(=O)CCCCC(=O)CO 1458a_100000210174_100000204269 [0,1,1,0,0,0|2,0,0]=4 936 B11R0.106 COC(=O)CCCNC(=O)CO 188690a_100000184769_100000210174 [0,1,1,0,0,0|1,0,0]=3 937 B11R0.106 COC(=O)NCCCC(=O)CF 1458a_100000753017_100015361967 [0,1,1,0,0,0|1,0,0]=3 938 B11R0.107 CCC(=O)CSC(C)OC(=O)C 62a_100000747405_100009818208 [0,1,1,0,0,0|2,0,0]=4 939 B11R0.107 CCC(=O)CSC(C)OC(=O)C 62a_100009818208_100000747405 [0,1,1,0,0,0|2,0,0]=4 940 B11R0.109 CCC(=O)COCC(=O)C(=O)C 34a_100000725409_100011261029 [0,1,1,0,0,0|2,0,0]=4 941 B11R0.109 CCC(=O)COCC(C)C(=O)C 7a_100000032740_100000747405 [0,1,1,0,0,0|2,0,0]=4 942 B11R0.109 CCC(=O)CSCC(=O)C(=O)C 62a_100000747405_100011261029 [0,1,1,0,0,0|2,0,0]=4 943 B11R0.109 CCC(=O)CSCC(=O)C(=O)C 62a_100011261029_100000747405 [0,1,1,0,0,0|2,0,0]=4 944 B11R0.109 COC(=O)CCCN(C)C(=O)C 240690a_100000739225_100015343762 [0,1,1,0,0,0|1,0,0]=3 945 B11R0.109 COC(=O)CCCN(C)C(=O)C 527a_100000739225_100103153847 [0,1,1,0,0,0|1,0,0]=3 946 B11R0.114 CCC(=O)NCCNS(=O)(=O)C 11a_100000752411_100000210414 [0,1,1,0,0,0|2,0,0]=4 947 B11R0.114 CCC(=O)NCCNS(=O)(=O)C 1626a_100000752411_100000210414 [0,1,1,0,0,0|2,0,0]=4 948 B11R0.114 CCC(=O)NCCNS(=O)(=O)C 240690a_100000752411_100000210414 [0,1,1,0,0,0|2,0,0]=4 949 B11R0.114 CCC(=O)NCCNS(=O)(=O)C 40a_100132302217_100000738038 [0,1,1,0,0,0|2,0,0]=4 950 B11R0.114 CCC(=O)NCCNS(=O)(=O)C 527a_100000752411_100000210414 [0,1,1,0,0,0|2,0,0]=4 951 B11R0.114 CNC(=O)CCCNS(=O)(=O)C 40a_100000740002_100000738038 [0,1,1,0,0,0|2,0,0]=4 952 B11R0.127 CCS(=O)(=O)NCCNC(=O)C 270084a_100000209853_100000211323 [0,1,1,0,0,0|2,0,0]=4 953 B11R0.127 CCS(=O)(=O)NCCNC(=O)C 274078a_100000209853_100000211323 [0,1,1,0,0,0|2,0,0]=4 954 B11R0.127 CCS(=O)(=O)NCCNC(=O)C 40a_100000209853_100000053943 [0,1,1,0,0,0|2,0,0]=4 955 B11R0.145 CCC(=O)C(C)OCCC(=O)C 7a_100000759926_100000742827 [0,1,1,0,0,0|2,0,0]=4 956 B11R0.145 CCC(=O)C(C)SCCC(=O)C 62a_100000053229_100000742827 [0,1,1,0,0,0|2,0,0]=4 957 B11R0.145 CCC(=O)C(C)SCCC(=O)C 62a_100000742827_100000053229 [0,1,1,0,0,0|2,0,0]=4 958 B11R0.145 CCC(=O)C(C)SCOC(=O)C 62a_100000076356_100000742827 [0,1,1,0,0,0|2,0,0]=4 959 B11R0.145 CCC(=O)C(C)SCOC(=O)C 62a_100000742827_100000076356 [0,1,1,0,0,0|2,0,0]=4 960 B11R0.145 CCN(C)C(C)CCNC(=O)C 1626a_100011369392_100015343762 [0,1,1,0,0,0|2,0,0]=4 961 B11R0.145 CCN(C)C(C)CCNC(=O)C 240690a_100011369392_100015343762 [0,1,1,0,0,0|2,0,0]=4 962 B11R0.145 CCN(C)C(C)CCNC(=O)C 527a_100011369392_100103153847 [0,1,1,0,0,0|2,0,0]=4 963 B11R0.145 CNC(=O)C(=O)CCNC(=O)C 1458a_100011218921_100000189650 [0,1,1,0,0,0|1,0,1]=4 964 B11R0.176 C#CCC(=O)CCCCC(=O)C 1458a_100011220946_100000735457 [0,1,1,0,0,0|1,0,1]=4 965 B11R0.176 C#CCC(=O)CCCNC(=O)C 1458a_100000194741_100000184674 [0,1,1,0,0,0|0,0,1]=3 966 B11R0.176 C#CCC(=O)CCCOC(=O)C 1458a_100011220946_100000042594 [0,1,1,0,0,0|1,0,1]=4 967 B11R0.176 C#CCC(=O)CCCSC(=O)C 1458a_100011220946_100000038929 [0,1,1,0,0,0|1,0,1]=4 968 B11R0.176 C#CCC(=O)NCCNC(=O)C 527a_100000209853_100011220946 [0,1,1,0,0,0|1,0,1]=4 969 B11R0.176 C=CCC(=O)CCCCC(=O)C 1458a_100000210193_100000735457 [0,1,1,0,0,0|1,0,1]=4 970 B11R0.176 C=CCC(=O)CCCNC(=O)C 1458a_100000194741_100000210623 [0,1,1,0,0,0|0,0,1]=3 971 B11R0.176 C=CCC(=O)CCCOC(=O)C 1458a_100000210193_100000042594 [0,1,1,0,0,0|1,0,1]=4 972 B11R0.176 C=CCC(=O)CCCSC(=O)C 1458a_100000210193_100000038929 [0,1,1,0,0,0|1,0,1]=4 973 B11R0.176 C=CCC(=O)NCCNC(=O)C 240690a_100000209853_100000210193 [0,1,1,0,0,0|1,0,1]=4 974 B11R0.176 C=CCC(=O)NCCNC(=O)C 527a_100000209853_100000210193 [0,1,1,0,0,0|1,0,1]=4 975 B11R0.176 CC#CC(=O)CCCCC(=O)C 1458a_100000763181_100000735457 [0,1,1,0,0,0|1,0,1]=4 976 B11R0.176 CC#CC(=O)CCCOC(=O)C 1458a_100000763181_100000042594 [0,1,1,0,0,0|1,0,1]=4 977 B11R0.176 CC#CC(=O)CCCSC(=O)C 1458a_100000763181_100000038929 [0,1,1,0,0,0|1,0,1]=4 978 B11R0.176 CC(=O)CCCCC(=O)CC#N 1458a_100051588842_100000735457 [0,1,1,0,0,0|1,0,1]=4 979 B11R0.176 CC(=O)CCCCC(=O)CCO 1458a_100011216618_100000735457 [0,1,1,0,0,0|1,0,0]=3 980 B11R0.176 CC(=O)NCCCC(=O)CC#N 1458a_100000194741_100011214920 [0,1,1,0,0,0|0,0,1]=3 981 B11R0.176 CC(=O)NCCCC(=O)CCF 1458a_100000194741_100011217306 [0,1,1,0,0,0|0,0,0]=2 982 B11R0.176 CC(=O)NCCCC(=O)CCO 1458a_100000194741_100000211926 [0,1,1,0,0,0|0,0,0]=2 983 B11R0.176 CC(=O)NCCNC(=O)CC#N 240690a_100000209853_100051588842 [0,1,1,0,0,0|1,0,1]=4 984 B11R0.176 CC(=O)NCCNC(=O)CCO 240690a_100000209853_100011216618 [0,1,1,0,0,0|1,0,0]=3 985 B11R0.176 CC(=O)OCCCC(=O)CC#N 1458a_100051588842_100000042594 [0,1,1,0,0,0|1,0,1]=4 986 B11R0.176 CC(=O)OCCCC(=O)CCO 1458a_100011216618_100000042594 [0,1,1,0,0,0|1,0,0]=3 987 B11R0.176 CC(=O)OCCNC(=O)CCO 240690a_100000724843_100011216618 [0,1,1,0,0,0|2,0,0]=4 988 B11R0.176 CC(=O)SCCCC(=O)CC#N 1458a_100051588842_100000038929 [0,1,1,0,0,0|1,0,1]=4 989 B11R0.176 CC(=O)SCCCC(=O)CCO 1458a_100011216618_100000038929 [0,1,1,0,0,0|1,0,0]=3 990 B11R0.176 CC(=O)SCCNC(=O)CCO 240690a_100020647217_100011216618 [0,1,1,0,0,0|2,0,0]=4 991 B11R0.176 CC(=S)OCCCC(=O)CCO 1458a_100011216618_200135323944 [0,1,1,0,0,0|1,1,0]=4 992 B11R0.176 CC=CC(=O)CCCCC(=O)C 1458a_100000210699_100000735457 [0,1,1,0,0,0|1,0,1]=4 993 B11R0.176 CC=CC(=O)CCCOC(=O)C 1458a_100000210699_100000042594 [0,1,1,0,0,0|1,0,1]=4 994 B11R0.176 CC=CC(=O)CCCSC(=O)C 1458a_100000210699_100000038929 [0,1,1,0,0,0|1,0,1]=4 995 B11R0.176 CC=CC(=O)NCCNC(=O)C 240690a_100000209853_100000210699 [0,1,1,0,0,0|1,0,1]=4 996 B11R0.176 CCCC(=O)CCCCC(=O)C 1458a_100000211992_100000735457 [0,1,1,0,0,0|1,0,0]=3 997 B11R0.176 CCCC(=O)CCCNC(=O)C 1458a_100000194741_100000210303 [0,1,1,0,0,0|0,0,0]=2 998 B11R0.176 CCCC(=O)CCCOC(=O)C 1458a_100000211992_100000042594 [0,1,1,0,0,0|1,0,0]=3 999 B11R0.176 CCCC(=O)CCCOC(=S)C 1458a_100000211992_200135323944 [0,1,1,0,0,0|1,1,0]=4 1000 B11R0.176 CCCC(=O)CCCSC(=O)C 1458a_100000211992_100000038929 [0,1,1,0,0,0|1,0,0]=3 1001 B11R0.176 CCCC(=O)COCCC(=O)C 7a_100000759926_100000747444 [0,1,1,0,0,0|2,0,0]=4 1002 B11R0.176 CCCC(=O)CSCCC(=O)C 62a_100000053229_100000747444 [0,1,1,0,0,0|2,0,0]=4 1003 B11R0.176 CCCC(=O)CSCCC(=O)C 62a_100000747444_100000053229 [0,1,1,0,0,0|2,0,0]=4 1004 B11R0.176 CCCC(=O)CSCOC(=O)C 62a_100000076356_100000747444 [0,1,1,0,0,0|2,0,0]=4 1005 B11R0.176 CCCC(=O)CSCOC(=O)C 62a_100000747444_100000076356 [0,1,1,0,0,0|2,0,0]=4 1006 B11R0.176 CCCC(=O)NCCNC(=O)C 240690a_100000209853_100000211992 [0,1,1,0,0,0|1,0,0]=3 1007 B11R0.176 CCCC(=O)NCCNC(=O)C 527a_100000209853_100000211992 [0,1,1,0,0,0|1,0,0]=3 1008 B11R0.176 CCCC(=O)NCCNC(=O)N 240690a_100020590234_100000211992 [0,1,1,0,0,0|2,0,0]=4 1009 B11R0.176 CCCC(=O)NCCNC(=O)N 527a_100020590234_100000211992 [0,1,1,0,0,0|2,0,0]=4 1010 B11R0.176 CCCC(=O)NCCOC(=O)C 11a_100000724843_100000211992 [0,1,1,0,0,0|2,0,0]=4 1011 B11R0.176 CCCC(=O)NCCOC(=O)C 240690a_100000724843_100000211992 [0,1,1,0,0,0|2,0,0]=4 1012 B11R0.176 CCCC(=O)NCCOC(=O)C 527a_100000724843_100000211992 [0,1,1,0,0,0|2,0,0]=4 1013 B11R0.176 CCCC(=O)NCCSC(=O)C 11a_100020647217_100000211992 [0,1,1,0,0,0|2,0,0]=4 1014 B11R0.176 CCCC(=O)NCCSC(=O)C 240690a_100020647217_100000211992 [0,1,1,0,0,0|2,0,0]=4 1015 B11R0.176 CCCC(=O)NCCSC(=O)C 527a_100020647217_100000211992 [0,1,1,0,0,0|2,0,0]=4 1016 B11R0.176 CCNC(=O)CCCNC(=O)C 11a_100015525214_100000194741 [0,1,1,0,0,0|0,0,0]=2 1017 B11R0.176 CCNC(=O)CCCNC(=O)C 240690a_100015525214_100000194741 [0,1,1,0,0,0|0,0,0]=2 1018 B11R0.176 CCNC(=O)CCCNC(=O)C 527a_100015525214_100000194741 [0,1,1,0,0,0|0,0,0]=2 1019 B11R0.176 CCNC(=O)COCCC(=O)C 34a_100000759926_100000183381 [0,1,1,0,0,0|2,0,0]=4 1020 B11R0.176 CCNC(=O)COCCC(=O)C 7a_100000759926_100000183381 [0,1,1,0,0,0|2,0,0]=4 1021 B11R0.176 CCNC(=O)CSCCC(=O)C 62a_100000053229_100000183381 [0,1,1,0,0,0|2,0,0]=4 1022 B11R0.176 CCNC(=O)CSCCC(=O)C 62a_100000183381_100000053229 [0,1,1,0,0,0|2,0,0]=4 1023 B11R0.176 CCNC(=O)CSCOC(=O)C 62a_100000076356_100000183381 [0,1,1,0,0,0|2,0,0]=4 1024 B11R0.176 CCNC(=O)CSCOC(=O)C 62a_100000183381_100000076356 [0,1,1,0,0,0|2,0,0]=4 1025 B11R0.176 CCNC(=O)NCCNC(=O)C 2708a_100000209853_100015525214 [0,1,1,0,0,0|1,0,0]=3 1026 B11R0.176 CCNC(=O)NCCNC(=O)C 2708a_100015525214_100000209853 [0,1,1,0,0,0|1,0,0]=3 1027 B11R0.176 CCNC(=O)NCCNC(=O)C 273464a_100000209853_100015525214 [0,1,1,0,0,0|1,0,0]=3 1028 B11R0.176 CCNC(=O)NCCNC(=O)C 273464a_100015525214_100000209853 [0,1,1,0,0,0|1,0,0]=3 1029 B11R0.176 CCNC(=O)NCCNC(=O)C 512a_100000209853_100015525214 [0,1,1,0,0,0|1,0,0]=3 1030 B11R0.176 CCNC(=O)NCCNC(=O)C 512a_100015525214_100000209853 [0,1,1,0,0,0|1,0,0]=3 1031 B11R0.176 CCNC(=O)NCCNC(=O)N 2708a_100015525214_100020590234 [0,1,1,0,0,0|2,0,0]=4 1032 B11R0.176 CCNC(=O)NCCNC(=O)N 273464a_100015525214_100020590234 [0,1,1,0,0,0|2,0,0]=4 1033 B11R0.176 CCNC(=O)NCCNC(=O)N 273464a_100020590234_100015525214 [0,1,1,0,0,0|2,0,0]=4 1034 B11R0.176 CCNC(=O)NCCNC(=O)N 512a_100015525214_100020590234 [0,1,1,0,0,0|2,0,0]=4 1035 B11R0.176 CCNC(=O)NCCNC(=O)N 512a_100020590234_100015525214 [0,1,1,0,0,0|2,0,0]=4 1036 B11R0.176 CCNC(=O)NCCOC(=O)C 2708a_100015525214_100000724843 [0,1,1,0,0,0|2,0,0]=4 1037 B11R0.176 CCNC(=O)NCCOC(=O)C 273464a_100000724843_100015525214 [0,1,1,0,0,0|2,0,0]=4 1038 B11R0.176 CCNC(=O)NCCOC(=O)C 273464a_100015525214_100000724843 [0,1,1,0,0,0|2,0,0]=4 1039 B11R0.176 CCNC(=O)NCCOC(=O)C 512a_100000724843_100015525214 [0,1,1,0,0,0|2,0,0]=4 1040 B11R0.176 CCNC(=O)NCCOC(=O)C 512a_100015525214_100000724843 [0,1,1,0,0,0|2,0,0]=4 1041 B11R0.176 CCNC(=O)NCCSC(=O)C 2708a_100015525214_100020647217 [0,1,1,0,0,0|2,0,0]=4 1042 B11R0.176 CCNC(=O)NCCSC(=O)C 2708a_100020647217_100015525214 [0,1,1,0,0,0|2,0,0]=4 1043 B11R0.176 CCNC(=O)NCCSC(=O)C 273464a_100015525214_100020647217 [0,1,1,0,0,0|2,0,0]=4 1044 B11R0.176 CCNC(=O)NCCSC(=O)C 273464a_100020647217_100015525214 [0,1,1,0,0,0|2,0,0]=4 1045 B11R0.176 CCNC(=O)NCCSC(=O)C 512a_100015525214_100020647217 [0,1,1,0,0,0|2,0,0]=4 1046 B11R0.176 CCNC(=O)NCCSC(=O)C 512a_100020647217_100015525214 [0,1,1,0,0,0|2,0,0]=4 1047 B11R0.176 CCOC(=O)CCCCC(=O)C 1458a_100000070787_100000750268 [0,1,1,0,0,0|1,0,0]=3 1048 B11R0.176 CCOC(=O)CCCCC(=O)C 1458a_100011217402_200000210301 [0,1,1,0,0,0|1,0,0]=3 1049 B11R0.176 CCOC(=O)CCCCC(=O)[13CH3] 1458a_100011217402_200025704644 [0,1,1,0,0,0|1,0,0]=3 1050 B11R0.176 CCOC(=O)CCCNC(=O)C 188690a_100000211256_100015343762 [0,1,1,0,0,0|0,0,0]=2 1051 B11R0.176 CCOC(=O)CCCNC(C)C 2230a_100138425928_100009991533 [0,1,1,0,0,0|1,0,1]=4 1052 B11R0.176 CCOC(=O)CCCNC(C)C 34a_100138425928_100009991533 [0,1,1,0,0,0|1,0,1]=4 1053 B11R0.176 CCOC(=O)CCOCC(=O)C 34a_100000211253_100000765890 [0,1,1,0,0,0|2,0,0]=4 1054 B11R0.176 CCOC(=O)COCCC(=O)C 1458a_100000070787_100000088970 [0,1,1,0,0,0|2,0,0]=4 1055 B11R0.176 CCOC(=O)COCCC(=O)C 34a_100000759926_100000188475 [0,1,1,0,0,0|2,0,0]=4 1056 B11R0.176 CCOC(=O)COCCC(=O)C 7a_100000759926_100000188475 [0,1,1,0,0,0|2,0,0]=4 1057 B11R0.176 CCOC(=O)CSCCC(=O)C 62a_100000053229_100000188475 [0,1,1,0,0,0|2,0,0]=4 1058 B11R0.176 CCOC(=O)CSCCC(=O)C 62a_100000188475_100000053229 [0,1,1,0,0,0|2,0,0]=4 1059 B11R0.176 CCOC(=O)CSCOC(=O)C 62a_100000076356_100000188475 [0,1,1,0,0,0|2,0,0]=4 1060 B11R0.176 CCOC(=O)CSCOC(=O)C 62a_100000188475_100000076356 [0,1,1,0,0,0|2,0,0]=4 1061 B11R0.176 CNNC(=O)CCCNC(=O)C 22a_100016993582_100000194741 [0,1,1,0,0,0|1,0,0]=3 1062 B11R0.176 CNNC(=O)NCCNC(=O)C 273464a_100000209853_100016993582 [0,1,1,0,0,0|2,0,0]=4 1063 B11R0.176 CNNC(=O)NCCNC(=O)C 512a_100000209853_100016993582 [0,1,1,0,0,0|2,0,0]=4 1064 B11R0.176 CNNC(=O)NCCNC(=O)C 512a_100016993582_100000209853 [0,1,1,0,0,0|2,0,0]=4 1065 B11R0.176 COCC(=O)CCCCC(=O)C 1458a_100000210968_100000735457 [0,1,1,0,0,0|1,0,0]=3 1066 B11R0.176 COCC(=O)CCCOC(=O)C 1458a_100000210968_100000042594 [0,1,1,0,0,0|1,0,0]=3 1067 B11R0.176 COCC(=O)CCCOC(=S)C 1458a_100000210968_200135323944 [0,1,1,0,0,0|1,1,0]=4 1068 B11R0.176 COCC(=O)CCCSC(=O)C 1458a_100000210968_100000038929 [0,1,1,0,0,0|1,0,0]=3 1069 B11R0.176 COCC(=O)NCCNC(=O)C 240690a_100000209853_100000210968 [0,1,1,0,0,0|1,0,0]=3 1070 B11R0.176 COCC(=O)NCCNC(=O)C 527a_100000209853_100000210968 [0,1,1,0,0,0|1,0,0]=3 1071 B11R0.176 COCC(=O)NCCNC(=O)N 240690a_100020590234_100000210968 [0,1,1,0,0,0|2,0,0]=4 1072 B11R0.176 COCC(=O)NCCNC(=O)N 527a_100020590234_100000210968 [0,1,1,0,0,0|2,0,0]=4 1073 B11R0.176 COCC(=O)NCCOC(=O)C 11a_100000724843_100000210968 [0,1,1,0,0,0|2,0,0]=4 1074 B11R0.176 COCC(=O)NCCOC(=O)C 240690a_100000724843_100000210968 [0,1,1,0,0,0|2,0,0]=4 1075 B11R0.176 COCC(=O)NCCOC(=O)C 527a_100000724843_100000210968 [0,1,1,0,0,0|2,0,0]=4 1076 B11R0.176 COCC(=O)NCCSC(=O)C 11a_100020647217_100000210968 [0,1,1,0,0,0|2,0,0]=4 1077 B11R0.176 COCC(=O)NCCSC(=O)C 240690a_100020647217_100000210968 [0,1,1,0,0,0|2,0,0]=4 1078 B11R0.176 COCC(=O)NCCSC(=O)C 527a_100020647217_100000210968 [0,1,1,0,0,0|2,0,0]=4 1079 B11R0.176 CSCC(=O)CCCCC(=O)C 1458a_100000184570_100000735457 [0,1,1,0,0,0|1,0,0]=3 1080 B11R0.176 CSCC(=O)CCCOC(=O)C 1458a_100000184570_100000042594 [0,1,1,0,0,0|1,0,0]=3 1081 B11R0.176 CSCC(=O)CCCOC(=S)C 1458a_100000184570_200135323944 [0,1,1,0,0,0|1,1,0]=4 1082 B11R0.176 CSCC(=O)CCCSC(=O)C 1458a_100000184570_100000038929 [0,1,1,0,0,0|1,0,0]=3 1083 B11R0.176 CSCC(=O)NCCNC(=O)C 240690a_100000209853_100000184570 [0,1,1,0,0,0|1,0,0]=3 1084 B11R0.176 CSCC(=O)NCCNC(=O)C 527a_100000209853_100000184570 [0,1,1,0,0,0|1,0,0]=3 1085 B11R0.176 CSCC(=O)NCCNC(=O)N 240690a_100020590234_100000184570 [0,1,1,0,0,0|2,0,0]=4 1086 B11R0.176 CSCC(=O)NCCNC(=O)N 527a_100020590234_100000184570 [0,1,1,0,0,0|2,0,0]=4 1087 B11R0.176 CSCC(=O)NCCOC(=O)C 11a_100000724843_100000184570 [0,1,1,0,0,0|2,0,0]=4 1088 B11R0.176 CSCC(=O)NCCOC(=O)C 240690a_100000724843_100000184570 [0,1,1,0,0,0|2,0,0]=4 1089 B11R0.176 CSCC(=O)NCCOC(=O)C 527a_100000724843_100000184570 [0,1,1,0,0,0|2,0,0]=4 1090 B11R0.176 CSCC(=O)NCCSC(=O)C 11a_100020647217_100000184570 [0,1,1,0,0,0|2,0,0]=4 1091 B11R0.176 CSCC(=O)NCCSC(=O)C 240690a_100020647217_100000184570 [0,1,1,0,0,0|2,0,0]=4 1092 B11R0.176 CSCC(=O)NCCSC(=O)C 527a_100020647217_100000184570 [0,1,1,0,0,0|2,0,0]=4 1093 B11R0.176 NC(=O)NCCNC(=O)CCO 240690a_100020590234_100011216618 [0,1,1,0,0,0|2,0,0]=4 1094 B11R0.56 C=CCC(=O)C(CC)NC(=O)C 1458a_100000195128_100000210623 [0,1,1,0,0,0|1,0,1]=4 1095 B11R0.166 CC[C@@H](CC(=O)OC)OCC=O 7a_200015357724_200015260668 [0,1,1,0,0,0|2,0,0]=4 1096 B11R0.33 CC(=O)OC(C)SC(C)C(=O)C 62a_100009814033_100009818208 [0,1,1,0,0,0|2,0,0]=4 1097 B11R0.33 CC(=O)OC(C)SC(C)C(=O)C 62a_100009818208_100009814033 [0,1,1,0,0,0|2,0,0]=4 1098 B11R0.149 C=C(C)CC(=O)[C@@H](C)NC(=O)C 1458a_100011504603_100000748629 [0,1,1,0,0,0|1,0,1]=4 1099 B11R0.149 CC(=O)N[C@H](C)C(=O)CC(=O)N 1458a_100011504603_100000187820 [0,1,1,0,0,0|1,0,1]=4 1100 B11R0.149 CC(=O)N[C@H](C)C(=O)CC(=O)[O-] 1458a_100011504603_100020667443 [0,1,1,0,0,0|1,0,1]=4 1101 B11R0.232 CC(=O)NC(C)(C)CNC(=O)N 11a_200011934385_100015343762 [0,1,1,0,0,0|2,0,0]=4 1102 B11R0.232 CC(=O)NC(C)(C)CNC(=O)N 1626a_200011934385_100015343762 [0,1,1,0,0,0|2,0,0]=4 1103 B11R0.232 CC(=O)NC(C)(C)CNC(=O)N 240690a_200011934385_100015343762 [0,1,1,0,0,0|2,0,0]=4 1104 B11R1.1 C=C1CCC(CC1)NCCC 270004a_100020643023_100010272673 [1,1,0,0,0,0|1,0,1]=4 1105 B11R1.1 C=C1CCC(CC1)NCCO 270004a_100000210304_100010272673 [1,1,0,0,0,0|1,0,1]=4 1106 B11R1.1 C=CCNC1CCC(=C)CC1 270004a_100020586998_100010272673 [1,1,0,0,0,0|1,0,1]=4 1107 B11R1.1 C=CCNC1CCC(=O)NC1 2230a_100000748762_100000210623 [1,1,0,0,0,0|1,0,1]=4 1108 B11R1.1 C=CCNC1CCC(=O)NC1 34a_100000748762_100015514636 [1,1,0,0,0,0|1,0,1]=4 1109 B11R1.1 C=CCOC1CCC(=O)CC1 34a_100000764474_100015514636 [1,1,0,0,0,0|1,0,1]=4 1110 B11R1.1 C=CCOC1CCC(=O)CC1 7a_100000764474_100015514636 [1,1,0,0,0,0|1,0,1]=4 1111 B11R1.1 CC=NNC1CCN(CC1)C 4a_100015184029_200000210099 [1,1,0,0,0,0|2,0,0]=4 1112 B11R1.1 CCCNC1CCC(=O)NC1 2230a_100000748762_100000210303 [1,1,0,0,0,0|1,0,1]=4 1113 B11R1.1 CCCNC1CCC(=O)NC1 34a_100000748762_100000210303 [1,1,0,0,0,0|1,0,1]=4 1114 B11R1.1 CCCOC1CCC(=O)CC1 34a_100000764474_100000210303 [1,1,0,0,0,0|1,0,1]=4 1115 B11R1.1 CCCOC1CCC(=O)CC1 7a_100000764474_100000210303 [1,1,0,0,0,0|1,0,1]=4 1116 B11R1.1 CCOCC1CCC(=O)CC1 34a_100000062911_100000210202 [1,1,0,0,0,0|1,0,1]=4 1117 B11R1.1 COCNC1CCC(=O)NC1 2230a_100000748762_100000766300 [1,1,0,0,0,0|1,0,1]=4 1118 B11R1.1 CSCNC1CCC(=O)NC1 2230a_100000748762_100011218213 [1,1,0,0,0,0|1,0,1]=4 1119 B11R1.1 CSCNC1CCC(=O)NC1 34a_100000748762_100011218213 [1,1,0,0,0,0|1,0,1]=4 1120 B11R1.1 CSCOC1CCC(=O)CC1 34a_100000764474_100011218213 [1,1,0,0,0,0|1,0,1]=4 1121 B11R1.1 C[C@H]1CC[C@@H](CC1)NCC=O 2230a_100020625639_200015260668 [1,1,0,0,0,0|1,0,1]=4 1122 B11R1.1 C[C@H]1CC[C@@H](CC1)NCC=O 34a_100020625639_200009817547 [1,1,0,0,0,0|1,0,1]=4 1123 B11R1.1 O=C1CCC(CC1)COCF 34a_100000062911_100015361967 [1,1,0,0,0,0|2,0,0]=4 1124 B11R1.1 O=C1CCC(CC1)OCCF 34a_100000764474_100011217306 [1,1,0,0,0,0|1,0,1]=4 1125 B11R1.1 O=C1CCC(CC1)OCCF 7a_100000764474_100011217306 [1,1,0,0,0,0|1,0,1]=4 1126 B11R1.1 O=C1CCC(CC1)OCCO 34a_100000764474_100000211926 [1,1,0,0,0,0|1,0,1]=4 1127 B11R1.1 O=C1CCC(CC1)OCCO 7a_100000764474_100000211926 [1,1,0,0,0,0|1,0,1]=4 1128 B11R1.1 O=C1CCC(CN1)NCCF 2230a_100000748762_100011217306 [1,1,0,0,0,0|1,0,1]=4 1129 B11R1.1 O=C1CCC(CN1)NCCF 34a_100000748762_100011217306 [1,1,0,0,0,0|1,0,1]=4 1130 B11R1.1 O=C1CCC(CN1)NCCO 2230a_100000748762_100000211926 [1,1,0,0,0,0|1,0,1]=4 1131 B11R1.1 O=C1CCC(CN1)NCCO 34a_100000748762_100000211926 [1,1,0,0,0,0|1,0,1]=4 1132 B11R1.1 O=CCNC1CCC(=O)NC1 2230a_100000748762_200015260668 [1,1,0,0,0,0|1,0,0]=3 1133 B11R1.1 O=CCNC1CCC(=O)NC1 34a_100000748762_200009817547 [1,1,0,0,0,0|1,0,0]=3 1134 B11R1.1 O=CCOC1CCC(=O)CC1 34a_100000764474_200009817547 [1,1,0,0,0,0|1,0,0]=3 1135 B11R1.1 O=CCOC1CCC(=O)CC1 7a_100000764474_200015260668 [1,1,0,0,0,0|1,0,0]=3 1136 B11R1.1 O=CCOC1CCC(=O)NC1 34a_100000079199_200009817547 [1,1,0,0,0,0|2,0,0]=4 1137 B11R1.82 CCNC1CCS(=O)(=O)CC1 2230a_100000739226_100000210202 [1,1,0,0,0,0|1,0,1]=4 1138 B11R1.82 CCNC1CCS(=O)(=O)CC1 270004a_100015525214_100000015219 [1,1,0,0,0,0|1,0,1]=4 1139 B11R1.82 CCNC1CCS(=O)(=O)CC1 34a_100000739226_100000210202 [1,1,0,0,0,0|1,0,1]=4 1140 B11R1.192 CCNC1CCC(=O)N(C1)C 2230a_100011935005_100000210202 [1,1,0,0,0,0|1,0,1]=4 1141 B11R1.192 CCNC1CCC(=O)N(C1)C 34a_100011935005_100000210202 [1,1,0,0,0,0|1,0,1]=4 1142 B11R1.1234 CCOC1(CCC(=O)CC1)C 34a_100012184276_100000210202 [1,1,0,0,0,0|1,0,1]=4 1143 B11R1.1234 CCOC1(CCC(=O)CC1)C 7a_100012184276_100000210202 [1,1,0,0,0,0|1,0,1]=4 1144 B11R1.36 CC(=O)C(C)C1CCCCC1 1458a_100011435303_200000210301 [1,1,0,0,0,0|1,0,1]=4 1145 B11R1.36 CC(=O)C(O)C1CCCCC1 1458a_100000242593_200000210301 [1,1,0,0,0,0|1,0,1]=4 1146 B11R1.36 CC(=O)N(C)C1CCCCC1 11a_100000207522_100015343762 [1,1,0,0,0,0|0,0,1]=3 1147 B11R1.36 CC(=O)N(C)C1CCCCC1 1626a_100000207522_100015343762 [1,1,0,0,0,0|0,0,1]=3 1148 B11R1.36 CC(=O)N(C)C1CCCCC1 240690a_100000207522_100015343762 [1,1,0,0,0,0|0,0,1]=3 1149 B11R1.36 CC(=O)N(C)C1CCCCC1 527a_100000207522_100103153847 [1,1,0,0,0,0|0,0,1]=3 1150 B11R1.36 CC(=O)N(C)C1CCOCC1 11a_100020587155_100015343762 [1,1,0,0,0,0|1,0,0]=3 1151 B11R1.36 CC(=O)N(C)C1CCOCC1 1626a_100020587155_100015343762 [1,1,0,0,0,0|1,0,0]=3 1152 B11R1.36 CC(=O)N(C)C1CCOCC1 240690a_100020587155_100015343762 [1,1,0,0,0,0|1,0,0]=3 1153 B11R1.36 CC(=O)N(C)C1CCOCC1 527a_100020587155_100103153847 [1,1,0,0,0,0|1,0,0]=3 1154 B11R1.36 CC(=O)N(C)C1CCSCC1 11a_100015184757_100015343762 [1,1,0,0,0,0|1,0,0]=3 1155 B11R1.36 CC(=O)N(C)C1CCSCC1 240690a_100015184757_100015343762 [1,1,0,0,0,0|1,0,0]=3 1156 B11R1.36 CC(=O)N(C)C1CCSCC1 527a_100015184757_100103153847 [1,1,0,0,0,0|1,0,0]=3 1157 B11R1.36 CC(C(=O)[13CH3])C1CCCCC1 1458a_100011435303_200025704644 [1,1,0,0,0,0|1,0,1]=4 1158 B11R1.36 [13CH3]C(=O)C(O)C1CCCCC1 1458a_100000242593_200025704644 [1,1,0,0,0,0|1,0,1]=4 1159 B11R1.40 C=CC(=O)NC1CCCCC1 1626a_100000182618_100000185746 [1,1,0,0,0,0|0,0,2]=4 1160 B11R1.40 C=CC(=O)NC1CCCCC1 240690a_100000182618_200121576911 [1,1,0,0,0,0|0,0,2]=4 1161 B11R1.40 C=CC(=O)NC1CCOCC1 1626a_100000741149_100000185746 [1,1,0,0,0,0|1,0,1]=4 1162 B11R1.40 C=CC(=O)NC1CCOCC1 240690a_100000741149_200121576911 [1,1,0,0,0,0|1,0,1]=4 1163 B11R1.40 C=CC(=O)NC1CCSCC1 1626a_100000748639_100000185746 [1,1,0,0,0,0|1,0,1]=4 1164 B11R1.40 C=CC(=O)NC1CCSCC1 240690a_100000748639_200121576911 [1,1,0,0,0,0|1,0,1]=4 1165 B11R1.40 CCC(=O)CC1CCCCC1 1458a_100000210414_100000211423 [1,1,0,0,0,0|1,0,1]=4 1166 B11R1.40 CCC(=O)CC1CCCCC1 1458a_100000211666_100000210202 [1,1,0,0,0,0|1,0,1]=4 1167 B11R1.40 CCC(=O)CC1CCOCC1 1458a_100000210414_100000754603 [1,1,0,0,0,0|2,0,0]=4 1168 B11R1.40 CCC(=O)CC1CCOCC1 1458a_100000757261_100000210202 [1,1,0,0,0,0|2,0,0]=4 1169 B11R1.40 CCC(=O)NC1CCCCC1 11a_100000182618_100000210414 [1,1,0,0,0,0|0,0,1]=3 1170 B11R1.40 CCC(=O)NC1CCCCC1 1626a_100000182618_100000210414 [1,1,0,0,0,0|0,0,1]=3 1171 B11R1.40 CCC(=O)NC1CCCCC1 240690a_100000182618_100000210414 [1,1,0,0,0,0|0,0,1]=3 1172 B11R1.40 CCC(=O)NC1CCCCC1 527a_100000182618_100000210414 [1,1,0,0,0,0|0,0,1]=3 1173 B11R1.40 CCC(=O)NC1CCCOC1 11a_100000719290_100000210414 [1,1,0,0,0,0|1,0,1]=4 1174 B11R1.40 CCC(=O)NC1CCCOC1 1626a_100000719290_100000210414 [1,1,0,0,0,0|1,0,1]=4 1175 B11R1.40 CCC(=O)NC1CCCOC1 240690a_100000719290_100000210414 [1,1,0,0,0,0|1,0,1]=4 1176 B11R1.40 CCC(=O)NC1CCCOC1 527a_100000719290_100000210414 [1,1,0,0,0,0|1,0,1]=4 1177 B11R1.40 CCC(=O)NC1CCOCC1 11a_100000741149_100000210414 [1,1,0,0,0,0|1,0,0]=3 1178 B11R1.40 CCC(=O)NC1CCOCC1 1626a_100000741149_100000210414 [1,1,0,0,0,0|1,0,0]=3 1179 B11R1.40 CCC(=O)NC1CCOCC1 240690a_100000741149_100000210414 [1,1,0,0,0,0|1,0,0]=3 1180 B11R1.40 CCC(=O)NC1CCOCC1 527a_100000741149_100000210414 [1,1,0,0,0,0|1,0,0]=3 1181 B11R1.40 CCC(=O)NC1CCSCC1 11a_100000748639_100000210414 [1,1,0,0,0,0|1,0,0]=3 1182 B11R1.40 CCC(=O)NC1CCSCC1 1626a_100000748639_100000210414 [1,1,0,0,0,0|1,0,0]=3 1183 B11R1.40 CCC(=O)NC1CCSCC1 240690a_100000748639_100000210414 [1,1,0,0,0,0|1,0,0]=3 1184 B11R1.40 CCC(=O)NC1CCSCC1 527a_100000748639_100000210414 [1,1,0,0,0,0|1,0,0]=3 1185 B11R1.40 CNC(=O)CC1CCCCC1 11a_106832991635_100000211666 [1,1,0,0,0,0|1,0,1]=4 1186 B11R1.40 CNC(=O)CC1CCCCC1 1626a_100102657272_100000211666 [1,1,0,0,0,0|1,0,1]=4 1187 B11R1.40 CNC(=O)CC1CCCCC1 240690a_100102657272_100000211666 [1,1,0,0,0,0|1,0,1]=4 1188 B11R1.40 CNC(=O)CC1CCCCC1 527a_100102657272_100000211666 [1,1,0,0,0,0|1,0,1]=4 1189 B11R1.40 CNC(=O)CC1CCOCC1 11a_106832991635_100000757261 [1,1,0,0,0,0|2,0,0]=4 1190 B11R1.40 CNC(=O)CC1CCOCC1 1626a_100102657272_100000757261 [1,1,0,0,0,0|2,0,0]=4 1191 B11R1.40 CNC(=O)CC1CCOCC1 240690a_100102657272_100000757261 [1,1,0,0,0,0|2,0,0]=4 1192 B11R1.40 CNC(=O)CC1CCOCC1 527a_100102657272_100000757261 [1,1,0,0,0,0|2,0,0]=4 1193 B11R1.40 CNC(=O)NC1CCCCC1 2708a_100000182618_106832991635 [1,1,0,0,0,0|0,0,1]=3 1194 B11R1.40 CNC(=O)NC1CCCCC1 2708a_100102657272_100000182618 [1,1,0,0,0,0|0,0,1]=3 1195 B11R1.40 CNC(=O)NC1CCCCC1 273464a_100000182618_100102657272 [1,1,0,0,0,0|0,0,1]=3 1196 B11R1.40 CNC(=O)NC1CCCCC1 273464a_100102657272_100000182618 [1,1,0,0,0,0|0,0,1]=3 1197 B11R1.40 CNC(=O)NC1CCCOC1 2708a_100000719290_106832991635 [1,1,0,0,0,0|1,0,1]=4 1198 B11R1.40 CNC(=O)NC1CCCOC1 2708a_100102657272_100000719290 [1,1,0,0,0,0|1,0,1]=4 1199 B11R1.40 CNC(=O)NC1CCCOC1 273464a_100000719290_100102657272 [1,1,0,0,0,0|1,0,1]=4 1200 B11R1.40 CNC(=O)NC1CCCOC1 273464a_100102657272_100000719290 [1,1,0,0,0,0|1,0,1]=4 1201 B11R1.40 CNC(=O)NC1CCCOC1 512a_100000719290_100102657272 [1,1,0,0,0,0|1,0,1]=4 1202 B11R1.40 CNC(=O)NC1CCCOC1 512a_106832991638_100000719290 [1,1,0,0,0,0|1,0,1]=4 1203 B11R1.40 CNC(=O)NC1CCOCC1 2708a_100000741149_106832991635 [1,1,0,0,0,0|1,0,0]=3 1204 B11R1.40 CNC(=O)NC1CCOCC1 2708a_100102657272_100000741149 [1,1,0,0,0,0|1,0,0]=3 1205 B11R1.40 CNC(=O)NC1CCOCC1 273464a_100000741149_100102657272 [1,1,0,0,0,0|1,0,0]=3 1206 B11R1.40 CNC(=O)NC1CCOCC1 273464a_100102657272_100000741149 [1,1,0,0,0,0|1,0,0]=3 1207 B11R1.40 CNC(=O)NC1CCOCC1 512a_100000741149_100102657272 [1,1,0,0,0,0|1,0,0]=3 1208 B11R1.40 CNC(=O)NC1CCOCC1 512a_106832991638_100000741149 [1,1,0,0,0,0|1,0,0]=3 1209 B11R1.40 CNC(=O)NC1CCSCC1 2708a_100000748639_106832991635 [1,1,0,0,0,0|1,0,0]=3 1210 B11R1.40 CNC(=O)NC1CCSCC1 2708a_100102657272_100000748639 [1,1,0,0,0,0|1,0,0]=3 1211 B11R1.40 CNC(=O)NC1CCSCC1 273464a_100000748639_100102657272 [1,1,0,0,0,0|1,0,0]=3 1212 B11R1.40 CNC(=O)NC1CCSCC1 273464a_100102657272_100000748639 [1,1,0,0,0,0|1,0,0]=3 1213 B11R1.40 CNC(=O)NC1CCSCC1 512a_100000748639_100102657272 [1,1,0,0,0,0|1,0,0]=3 1214 B11R1.40 CNC(=O)NC1CCSCC1 512a_106832991638_100000748639 [1,1,0,0,0,0|1,0,0]=3 1215 B11R1.40 O=C(CF)CC1CCCCC1 1458a_100000211666_100015361967 [1,1,0,0,0,0|1,0,1]=4 1216 B11R1.40 O=C(CF)CC1CCOCC1 1458a_100000757261_100015361967 [1,1,0,0,0,0|2,0,0]=4 1217 B11R1.40 O=C(CO)CC1CCCCC1 1458a_100000210174_100000211423 [1,1,0,0,0,0|1,0,1]=4 1218 B11R1.40 O=C(CO)CC1CCOCC1 1458a_100000210174_100000754603 [1,1,0,0,0,0|2,0,0]=4 1219 B11R1.40 O=C(CO)NC1CCCCC1 240690a_100000182618_100000210174 [1,1,0,0,0,0|0,0,1]=3 1220 B11R1.40 O=C(CO)NC1CCCCC1 527a_100000182618_100000210174 [1,1,0,0,0,0|0,0,1]=3 1221 B11R1.40 O=C(CO)NC1CCCOC1 240690a_100000719290_100000210174 [1,1,0,0,0,0|1,0,1]=4 1222 B11R1.40 O=C(CO)NC1CCCOC1 527a_100000719290_100000210174 [1,1,0,0,0,0|1,0,1]=4 1223 B11R1.40 O=C(CO)NC1CCOCC1 240690a_100000741149_100000210174 [1,1,0,0,0,0|1,0,0]=3 1224 B11R1.40 O=C(CO)NC1CCOCC1 527a_100000741149_100000210174 [1,1,0,0,0,0|1,0,0]=3 1225 B11R1.40 O=C(CO)NC1CCSCC1 240690a_100000748639_100000210174 [1,1,0,0,0,0|1,0,0]=3 1226 B11R1.40 O=C(CO)NC1CCSCC1 527a_100000748639_100000210174 [1,1,0,0,0,0|1,0,0]=3 1227 B11R1.86 CC(=O)NC1CCCCC1C 11a_100000211402_100015343762 [1,1,0,0,0,0|0,0,1]=3 1228 B11R1.86 CC(=O)NC1CCCCC1C 1626a_100000211402_100015343762 [1,1,0,0,0,0|0,0,1]=3 1229 B11R1.86 CC(=O)NC1CCCCC1C 240690a_100000211402_100015343762 [1,1,0,0,0,0|0,0,1]=3 1230 B11R1.86 CC(=O)NC1CCCCC1C 527a_100000211402_100103153847 [1,1,0,0,0,0|0,0,1]=3 1231 B11R1.86 CC(=O)N[C@@H]1CCCC[C@@H]1O 240690a_100015191688_100015343762 [1,1,0,0,0,0|0,0,1]=3 1232 B11R1.86 CC(=O)N[C@@H]1CCCC[C@@H]1O 527a_100015191688_100103153847 [1,1,0,0,0,0|0,0,1]=3 1233 B11R1.86 CC(=O)N[C@@H]1CCCC[C@H]1F 11a_100015195156_100015343762 [1,1,0,0,0,0|0,0,1]=3 1234 B11R1.86 CC(=O)N[C@@H]1CCCC[C@H]1F 1626a_100015195156_100015343762 [1,1,0,0,0,0|0,0,1]=3 1235 B11R1.86 CC(=O)N[C@@H]1CCCC[C@H]1F 240690a_100015195156_100015343762 [1,1,0,0,0,0|0,0,1]=3 1236 B11R1.86 CC(=O)N[C@@H]1CCCC[C@H]1F 527a_100015195156_100103153847 [1,1,0,0,0,0|0,0,1]=3 1237 B11R1.86 CC(=O)N[C@@H]1CCOC[C@@H]1O 11a_100016994285_100015343762 [1,1,0,0,0,0|1,0,0]=3 1238 B11R1.86 CC(=O)N[C@@H]1CCOC[C@@H]1O 240690a_100016994285_100015343762 [1,1,0,0,0,0|1,0,0]=3 1239 B11R1.86 CC(=O)N[C@@H]1CCOC[C@@H]1O 527a_100016994285_100103153847 [1,1,0,0,0,0|1,0,0]=3 1240 B11R1.86 CC(=O)N[C@H]1CCOC[C@@H]1F 11a_100016994078_100015343762 [1,1,0,0,0,0|1,0,0]=3 1241 B11R1.86 CC(=O)N[C@H]1CCOC[C@@H]1F 1626a_100016994078_100015343762 [1,1,0,0,0,0|1,0,0]=3 1242 B11R1.86 CC(=O)N[C@H]1CCOC[C@@H]1F 240690a_100016994078_100015343762 [1,1,0,0,0,0|1,0,0]=3 1243 B11R1.86 CC(=O)N[C@H]1CCOC[C@@H]1F 527a_100016994078_100103153847 [1,1,0,0,0,0|1,0,0]=3 1244 B11R1.86 CC(=O)N[C@H]1COCC[C@@H]1O 11a_100015739063_100015343762 [1,1,0,0,0,0|1,0,1]=4 1245 B11R1.86 CC(=O)N[C@H]1COCC[C@@H]1O 240690a_100015739063_100015343762 [1,1,0,0,0,0|1,0,1]=4 1246 B11R1.157 CC(=O)CC1CCCC(C1)C 1458a_100000748788_200000210301 [1,1,0,0,0,0|1,0,1]=4 1247 B11R1.157 CC(=O)NC1CCCC(C1)C 11a_100011194320_100015343762 [1,1,0,0,0,0|0,0,1]=3 1248 B11R1.157 CC(=O)NC1CCCC(C1)C 1626a_100011194320_100015343762 [1,1,0,0,0,0|0,0,1]=3 1249 B11R1.157 CC(=O)NC1CCCC(C1)C 240690a_100011194320_100015343762 [1,1,0,0,0,0|0,0,1]=3 1250 B11R1.157 CC(=O)NC1CCCC(C1)C 527a_100011194320_100103153847 [1,1,0,0,0,0|0,0,1]=3 1251 B11R1.157 CC(=O)NC1CCCC(C1)O 1626a_100015190357_100015343762 [1,1,0,0,0,0|0,0,1]=3 1252 B11R1.157 CC(=O)NC1CCCC(C1)O 240690a_100015190357_100015343762 [1,1,0,0,0,0|0,0,1]=3 1253 B11R1.157 CC(=O)NC1CCCN(C1)C 2230a_106657272119_200000210301 [1,1,0,0,0,0|1,0,1]=4 1254 B11R1.157 CC(=O)NC1CCCN(C1)C 269982a_106657272119_200000210301 [1,1,0,0,0,0|1,0,1]=4 1255 B11R1.157 CC(=O)NC1CCCN(C1)[13CH3] 2230a_106657272119_200025704644 [1,1,0,0,0,0|1,0,1]=4 1256 B11R1.157 CC(=O)NC1CCCN(C1)[13CH3] 269982a_106657272119_200025704644 [1,1,0,0,0,0|1,0,1]=4 1257 B11R1.157 CC(=O)NC1CCNC(=O)C1 11a_100016994916_100015343762 [1,1,0,0,0,0|1,0,1]=4 1258 B11R1.157 CC(=O)NC1CCNC(=O)C1 1626a_100016994916_100015343762 [1,1,0,0,0,0|1,0,1]=4 1259 B11R1.157 CC(=O)NC1CCNC(=O)C1 240690a_100016994916_100015343762 [1,1,0,0,0,0|1,0,1]=4 1260 B11R1.157 CC(=O)NC1CCNC(=O)C1 527a_100016994916_100103153847 [1,1,0,0,0,0|1,0,1]=4 1261 B11R1.157 CC(=O)N[C@H]1CCCN(C1)C 240690a_100016992120_100015343762 [1,1,0,0,0,0|1,0,1]=4 1262 B11R1.157 CC(=O)N[C@H]1CCCN(C1)C 527a_100016992120_100103153847 [1,1,0,0,0,0|1,0,1]=4 1263 B11R1.157 CC1CCCC(C1)CC(=O)[13CH3] 1458a_100000748788_200025704644 [1,1,0,0,0,0|1,0,1]=4 1264 B11R1.509 CS(=O)(=O)NC1CCCCC1 40a_100000182618_100000738038 [1,1,0,0,0,0|1,0,1]=4 1265 B11R1.509 CS(=O)(=O)NC1CCOCC1 40a_100000741149_100000738038 [1,1,0,0,0,0|2,0,0]=4 1266 B11R1.509 CS(=O)(=O)NC1CCSCC1 40a_100000748639_100000738038 [1,1,0,0,0,0|2,0,0]=4 1267 B11R1.928 CC(=O)CC1(CCCCC1)O 1458a_100000755886_200000210301 [1,1,0,0,0,0|1,0,1]=4 1268 B11R1.928 CC(=O)NC1(CCCCC1)C 11a_100000741114_100015343762 [1,1,0,0,0,0|0,0,1]=3 1269 B11R1.928 CC(=O)NC1(CCCCC1)C 1626a_100000741114_100015343762 [1,1,0,0,0,0|0,0,1]=3 1270 B11R1.928 CC(=O)NC1(CCCCC1)C 240690a_100000741114_100015343762 [1,1,0,0,0,0|0,0,1]=3 1271 B11R1.928 CC(=O)NC1(CCCCC1)C 527a_100000741114_100103153847 [1,1,0,0,0,0|0,0,1]=3 1272 B11R1.928 CC(=O)NC1(CCOCC1)C 11a_100000692449_100015343762 [1,1,0,0,0,0|1,0,0]=3 1273 B11R1.928 CC(=O)NC1(CCOCC1)C 1626a_100000692449_100015343762 [1,1,0,0,0,0|1,0,0]=3 1274 B11R1.928 CC(=O)NC1(CCOCC1)C 240690a_100000692449_100015343762 [1,1,0,0,0,0|1,0,0]=3 1275 B11R1.928 CC(=O)NC1(CCOCC1)C 527a_100000692449_100103153847 [1,1,0,0,0,0|1,0,0]=3 1276 B11R1.928 [13CH3]C(=O)CC1(CCCCC1)O 1458a_100000755886_200025704644 [1,1,0,0,0,0|1,0,1]=4 1277 B11R1.3 CC(=O)C1CCC(CC1)CO 1458a_100011217856_200000210301 [0,1,0,0,1,0|0,0,2]=4 1278 B11R1.3 CC(=O)[C@H]1CC[C@@H](CC1)C#N 1458a_100132307125_200000210301 [0,1,0,0,1,0|1,0,1]=4 1279 B11R1.3 CCN1CCC(CC1)C(=O)C 1458a_100015186486_200000210301 [0,1,0,0,1,0|2,0,0]=4 1280 B11R1.3 CCN1CCC(CC1)C(=O)[13CH3] 1458a_100015186486_200025704644 [0,1,0,0,1,0|2,0,0]=4 1281 B11R1.3 CC[C@H]1CC[C@@H](CC1)C(=O)C 1458a_100000709782_200000210301 [0,1,0,0,1,0|1,0,1]=4 1282 B11R1.3 CC[C@H]1CC[C@@H](CC1)C(=O)[13CH3] 1458a_100000709782_200025704644 [0,1,0,0,1,0|1,0,1]=4 1283 B11R1.3 COC1CCC(CC1)C(=O)C 1458a_100011215563_200000210301 [0,1,0,0,1,0|0,0,2]=4 1284 B11R1.3 COC1CCC(CC1)C(=O)[13CH3] 1458a_100011215563_200025704644 [0,1,0,0,1,0|0,0,2]=4 1285 B11R1.3 [13CH3]C(=O)C1CCC(CC1)CO 1458a_100011217856_200025704644 [0,1,0,0,1,0|0,0,2]=4 1286 B11R1.3 [13CH3]C(=O)[C@H]1CC[C@@H](CC1)C#N 1458a_100132307125_200025704644 [0,1,0,0,1,0|1,0,1]=4 1287 B11R1.21 CC(=O)C1CCC(=O)N(C1)C 1458a_100011430921_200000210301 [0,1,0,0,1,0|1,0,0]=3 1288 B11R1.21 CN1CC(CCC1=O)C(=O)[13CH3] 1458a_100011430921_200025704644 [0,1,0,0,1,0|1,0,0]=3 1289 B11R1.166 CC(=O)C1CCC(=O)NC1=O 1458a_100000070787_100000694648 [0,1,0,0,1,0|1,0,1]=4 1290 B11R1.220 CC(=O)C1(CCN(CC1)C)O 1458a_100015186493_200000210301 [0,1,0,0,1,0|2,0,0]=4 1291 B11R1.220 CC(=O)C1(COC(=O)OC1)C 1458a_100000145666_200000210301 [0,1,0,0,1,0|2,0,0]=4 1292 B11R1.220 CC1(COC(=O)OC1)C(=O)[13CH3] 1458a_100000145666_200025704644 [0,1,0,0,1,0|2,0,0]=4 1293 B11R1.220 CN1CCC(CC1)(O)C(=O)[13CH3] 1458a_100015186493_200025704644 [0,1,0,0,1,0|2,0,0]=4 1294 B11R1.727 CC(=O)C1CCC(CC1)(F)F 1458a_100000070787_100009865109 [0,1,0,0,1,0|1,0,1]=4 1295 B11R1.727 CC(=O)C1CCC(CC1)(F)F 1458a_100000752077_200000210301 [0,1,0,0,1,0|1,0,1]=4 1296 B11R1.727 CC(=O)C1CCS(=O)(=O)CC1 1458a_100000755231_200000210301 [0,1,0,0,1,0|1,0,0]=3 1297 B11R1.727 CC(=O)N1CCS(=O)(=O)CC1 11a_100000750940_100015343762 [0,1,0,0,1,0|2,0,0]=4 1298 B11R1.727 CC(=O)N1CCS(=O)(=O)CC1 1626a_100000750940_100015343762 [0,1,0,0,1,0|2,0,0]=4 1299 B11R1.727 CC(=O)N1CCS(=O)(=O)CC1 240690a_100000750940_100015343762 [0,1,0,0,1,0|2,0,0]=4 1300 B11R1.727 CC(=O)N1CCS(=O)(=O)CC1 527a_100000750940_100103153847 [0,1,0,0,1,0|2,0,0]=4 1301 B11R1.727 [13CH3]C(=O)C1CCC(CC1)(F)F 1458a_100000752077_200025704644 [0,1,0,0,1,0|1,0,1]=4 1302 B11R1.727 [13CH3]C(=O)C1CCS(=O)(=O)CC1 1458a_100000755231_200025704644 [0,1,0,0,1,0|1,0,0]=3 1303 B11R1.39 C=CC(=O)NC1CNC(=O)C1 1626a_100000697751_100000185746 [0,1,0,0,1,0|1,0,1]=4 1304 B11R1.39 C=CC(=O)NC1CNC(=O)C1 240690a_100000697751_200121576911 [0,1,0,0,1,0|1,0,1]=4 1305 B11R1.39 CCC(=O)CC1CCC(=O)N1 1458a_100000026770_100000210202 [0,1,0,0,1,0|2,0,0]=4 1306 B11R1.39 CCC(=O)C[C@@H]1CCC(=O)N1 1458a_100000210414_100015189358 [0,1,0,0,1,0|2,0,0]=4 1307 B11R1.39 CCC(=O)NC1CCN(C1)C 1626a_100000744687_100000210414 [0,1,0,0,1,0|2,0,0]=4 1308 B11R1.39 CCC(=O)NC1CCN(C1)C 240690a_100000744687_100000210414 [0,1,0,0,1,0|2,0,0]=4 1309 B11R1.39 CCC(=O)NC1CCN(C1)C 527a_100000744687_100000210414 [0,1,0,0,1,0|2,0,0]=4 1310 B11R1.39 CCC(=O)NC1CNC(=O)C1 11a_100000697751_100000210414 [0,1,0,0,1,0|1,0,0]=3 1311 B11R1.39 CCC(=O)NC1CNC(=O)C1 1626a_100000697751_100000210414 [0,1,0,0,1,0|1,0,0]=3 1312 B11R1.39 CCC(=O)NC1CNC(=O)C1 240690a_100000697751_100000210414 [0,1,0,0,1,0|1,0,0]=3 1313 B11R1.39 CCC(=O)NC1CNC(=O)C1 527a_100000697751_100000210414 [0,1,0,0,1,0|1,0,0]=3 1314 B11R1.39 CCC(=O)N[C@H]1CC[C@H](C1)O 1626a_100015195300_100000210414 [0,1,0,0,1,0|0,0,2]=4 1315 B11R1.39 CCC(=O)N[C@H]1CC[C@H](C1)O 240690a_100015195300_100000210414 [0,1,0,0,1,0|0,0,2]=4 1316 B11R1.39 CN1CCC(C1)NC(=O)CO 240690a_100000744687_100000210174 [0,1,0,0,1,0|2,0,0]=4 1317 B11R1.39 CN1CCC(C1)NC(=O)CO 527a_100000744687_100000210174 [0,1,0,0,1,0|2,0,0]=4 1318 B11R1.39 CNC(=O)CC1CCC(=O)N1 1626a_100102657272_100000026770 [0,1,0,0,1,0|2,0,0]=4 1319 B11R1.39 CNC(=O)CC1CCC(=O)N1 240690a_100102657272_100000026770 [0,1,0,0,1,0|2,0,0]=4 1320 B11R1.39 CNC(=O)NC1CCN(C1)C 2708a_100102657272_100000744687 [0,1,0,0,1,0|2,0,0]=4 1321 B11R1.39 CNC(=O)NC1CCN(C1)C 273464a_100000744687_100102657272 [0,1,0,0,1,0|2,0,0]=4 1322 B11R1.39 CNC(=O)NC1CCN(C1)C 273464a_100102657272_100000744687 [0,1,0,0,1,0|2,0,0]=4 1323 B11R1.39 CNC(=O)NC1CCN(C1)C 512a_100000744687_100102657272 [0,1,0,0,1,0|2,0,0]=4 1324 B11R1.39 CNC(=O)NC1CCN(C1)C 512a_106832991638_100000744687 [0,1,0,0,1,0|2,0,0]=4 1325 B11R1.39 CNC(=O)NC1CNC(=O)C1 2708a_100000697751_106832991635 [0,1,0,0,1,0|1,0,0]=3 1326 B11R1.39 CNC(=O)NC1CNC(=O)C1 2708a_100102657272_100000697751 [0,1,0,0,1,0|1,0,0]=3 1327 B11R1.39 CNC(=O)NC1CNC(=O)C1 273464a_100000697751_100102657272 [0,1,0,0,1,0|1,0,0]=3 1328 B11R1.39 CNC(=O)NC1CNC(=O)C1 273464a_100102657272_100000697751 [0,1,0,0,1,0|1,0,0]=3 1329 B11R1.39 CNC(=O)NC1CNC(=O)C1 512a_100000697751_100102657272 [0,1,0,0,1,0|1,0,0]=3 1330 B11R1.39 CNC(=O)NC1CNC(=O)C1 512a_106832991638_100000697751 [0,1,0,0,1,0|1,0,0]=3 1331 B11R1.39 CNC(=O)N[C@H]1CC[C@H](C1)O 2708a_100015195300_106832991635 [0,1,0,0,1,0|0,0,2]=4 1332 B11R1.39 CNC(=O)N[C@H]1CC[C@H](C1)O 2708a_100102657272_100015195300 [0,1,0,0,1,0|0,0,2]=4 1333 B11R1.39 CNC(=O)N[C@H]1CC[C@H](C1)O 273464a_100015195300_100102657272 [0,1,0,0,1,0|0,0,2]=4 1334 B11R1.39 CNC(=O)N[C@H]1CC[C@H](C1)O 273464a_100102657272_100015195300 [0,1,0,0,1,0|0,0,2]=4 1335 B11R1.39 CNC(=O)N[C@H]1CC[C@H](C1)O 512a_100015195300_100102657272 [0,1,0,0,1,0|0,0,2]=4 1336 B11R1.39 O=C(CF)CC1CCC(=O)N1 1458a_100000026770_100015361967 [0,1,0,0,1,0|2,0,0]=4 1337 B11R1.39 O=C(CO)C[C@@H]1CCC(=O)N1 1458a_100000210174_100015189358 [0,1,0,0,1,0|2,0,0]=4 1338 B11R1.39 O=C(CO)N[C@H]1CC[C@H](C1)O 240690a_100015195300_100000210174 [0,1,0,0,1,0|0,0,2]=4 1339 B11R1.39 O=C1CC(CN1)NC(=O)CO 240690a_100000697751_100000210174 [0,1,0,0,1,0|1,0,0]=3 1340 B11R1.39 O=C1CC(CN1)NC(=O)CO 527a_100000697751_100000210174 [0,1,0,0,1,0|1,0,0]=3 1341 B11R1.43 CC(=O)N[C@H]1CCN(C1)CF 269982a_100016989438_100015361967 [0,1,0,0,1,0|2,0,0]=4 1342 B11R1.43 CCN1CCC(C1)NC(=O)C 11a_100015188829_100015343762 [0,1,0,0,1,0|2,0,0]=4 1343 B11R1.43 CCN1CCC(C1)NC(=O)C 1626a_100015188829_100015343762 [0,1,0,0,1,0|2,0,0]=4 1344 B11R1.43 CCN1CCC(C1)NC(=O)C 240690a_100015188829_100015343762 [0,1,0,0,1,0|2,0,0]=4 1345 B11R1.43 CCN1CCC(C1)NC(=O)C 527a_100015188829_100103153847 [0,1,0,0,1,0|2,0,0]=4 1346 B11R1.43 CCN1CC[C@@H](C1)NC(=O)C 2230a_100016989438_100000210202 [0,1,0,0,1,0|2,0,0]=4 1347 B11R1.43 CCN1CC[C@@H](C1)NC(=O)C 269982a_100016989438_100000204670 [0,1,0,0,1,0|2,0,0]=4 1348 B11R1.76 CS(=O)(=O)NC1CNC(=O)C1 40a_100000697751_100000738038 [0,1,0,0,1,0|2,0,0]=4 1349 B11R1.80 CC(=O)NC1CC(=O)N(C1)C 11a_100000748898_100015343762 [0,1,0,0,1,0|1,0,0]=3 1350 B11R1.80 CC(=O)NC1CC(=O)N(C1)C 1626a_100000748898_100015343762 [0,1,0,0,1,0|1,0,0]=3 1351 B11R1.80 CC(=O)NC1CC(=O)N(C1)C 240690a_100000748898_100015343762 [0,1,0,0,1,0|1,0,0]=3 1352 B11R1.80 CC(=O)NC1CC(=O)N(C1)C 527a_100000748898_100103153847 [0,1,0,0,1,0|1,0,0]=3 1353 B11R1.314 CC(=O)N(C)C1CCN(C1)C 11a_103436538152_100015343762 [0,1,0,0,1,0|2,0,0]=4 1354 B11R1.314 CC(=O)N(C)C1CCN(C1)C 240690a_103436538152_100015343762 [0,1,0,0,1,0|2,0,0]=4 1355 B11R1.314 CC(=O)N(C)C1CCN(C1)C 527a_103436538152_100103153847 [0,1,0,0,1,0|2,0,0]=4 1356 B11R1.314 CC(=O)N(C)[C@H]1CCN(C1)C 2230a_100020642128_200000210301 [0,1,0,0,1,0|2,0,0]=4 1357 B11R1.314 CC(=O)N(C)[C@H]1CCN(C1)C 269982a_100020642128_200000210301 [0,1,0,0,1,0|2,0,0]=4 1358 B11R1.314 CC(=O)N(C)[C@H]1CCN(C1)[13CH3] 2230a_100020642128_200025704644 [0,1,0,0,1,0|2,0,0]=4 1359 B11R1.314 CC(=O)N(C)[C@H]1CCN(C1)[13CH3] 269982a_100020642128_200025704644 [0,1,0,0,1,0|2,0,0]=4 1360 B11R1.645 CC(=O)NC1CC(=O)NC1=O 11a_100102712934_100015343762 [0,1,0,0,1,0|1,0,1]=4 1361 B11R1.645 CC(=O)NC1CC(=O)NC1=O 240690a_100102712934_100015343762 [0,1,0,0,1,0|1,0,1]=4 1362 B11R1.710 CC(=O)CC1CCS(=O)(=O)C1 1458a_100000186120_200000210301 [0,1,0,0,1,0|2,0,0]=4 1363 B11R1.710 CC(=O)NC1CCC(C1)(F)F 11a_100000689000_100015343762 [0,1,0,0,1,0|1,0,1]=4 1364 B11R1.710 CC(=O)NC1CCC(C1)(F)F 1626a_100000689000_100015343762 [0,1,0,0,1,0|1,0,1]=4 1365 B11R1.710 CC(=O)NC1CCC(C1)(F)F 240690a_100000689000_100015343762 [0,1,0,0,1,0|1,0,1]=4 1366 B11R1.710 CC(=O)NC1CCC(C1)(F)F 527a_100000689000_100103153847 [0,1,0,0,1,0|1,0,1]=4 1367 B11R1.710 CC(=O)NC1CCS(=O)(=O)C1 11a_100000683523_100015343762 [0,1,0,0,1,0|1,0,0]=3 1368 B11R1.710 CC(=O)NC1CCS(=O)(=O)C1 1626a_100000683523_100015343762 [0,1,0,0,1,0|1,0,0]=3 1369 B11R1.710 CC(=O)NC1CCS(=O)(=O)C1 240690a_100000683523_100015343762 [0,1,0,0,1,0|1,0,0]=3 1370 B11R1.710 CC(=O)NC1CCS(=O)(=O)C1 527a_100000683523_100103153847 [0,1,0,0,1,0|1,0,0]=3 1371 B11R1.710 [13CH3]C(=O)CC1CCS(=O)(=O)C1 1458a_100000186120_200025704644 [0,1,0,0,1,0|2,0,0]=4 1372 B13R1.3 CC(=O)NCC1CCN(CC1)CF 269982a_100011206997_100015361967 [0,1,0,0,0,1|2,0,0]=4 1373 B13R1.3 CC(=O)NCC1CCN(CC1)CF 34a_100011206997_100015361967 [0,1,0,0,0,1|2,0,0]=4 1374 B13R1.3 CC(=O)NC[C@H]1CC[C@@H](CC1)CO 240690a_100121570882_100015343762 [0,1,0,0,0,1|0,0,2]=4 1375 B13R1.3 CC(=O)NC[C@H]1CC[C@@H](CC1)CO 527a_100121570882_100103153847 [0,1,0,0,0,1|0,0,2]=4 1376 B13R1.3 CCN1CCC(CC1)CNC(=O)C 11a_100000744039_100015343762 [0,1,0,0,0,1|2,0,0]=4 1377 B13R1.3 CCN1CCC(CC1)CNC(=O)C 1626a_100000744039_100015343762 [0,1,0,0,0,1|2,0,0]=4 1378 B13R1.3 CCN1CCC(CC1)CNC(=O)C 2230a_100011206997_100000210202 [0,1,0,0,0,1|2,0,0]=4 1379 B13R1.3 CCN1CCC(CC1)CNC(=O)C 240690a_100000744039_100015343762 [0,1,0,0,0,1|2,0,0]=4 1380 B13R1.3 CCN1CCC(CC1)CNC(=O)C 269982a_100011206997_100000204670 [0,1,0,0,0,1|2,0,0]=4 1381 B13R1.3 CCN1CCC(CC1)CNC(=O)C 34a_100011206997_100000210202 [0,1,0,0,0,1|2,0,0]=4 1382 B13R1.3 CCN1CCC(CC1)CNC(=O)C 527a_100000744039_100103153847 [0,1,0,0,0,1|2,0,0]=4 1383 B13R1.14 C=C1CCC(=NNC(=O)CC)CC1 4a_100000183195_100010272673 [0,1,0,0,0,1|1,0,1]=4 1384 B13R1.14 C=C1CCC(CC1)NCC(=O)NC 270004a_100000693194_100010272673 [0,1,0,0,0,1|1,0,0]=3 1385 B13R1.14 CC1CCC(CC1)CNC(=O)CO 240690a_103436935547_100000210174 [0,1,0,0,0,1|1,0,1]=4 1386 B13R1.14 CC1CCC(CC1)CNC(=O)CO 527a_103436935547_100000210174 [0,1,0,0,0,1|1,0,1]=4 1387 B13R1.14 CCC(=O)COC1CCC(=O)CC1 7a_100000764474_100000747405 [0,1,0,0,0,1|1,0,0]=3 1388 B13R1.14 CCC(=O)NCC1CCC(CC1)C 11a_103436935547_100000210414 [0,1,0,0,0,1|1,0,1]=4 1389 B13R1.14 CCC(=O)NCC1CCC(CC1)C 1626a_103436935547_100000210414 [0,1,0,0,0,1|1,0,1]=4 1390 B13R1.14 CCC(=O)NCC1CCC(CC1)C 240690a_103436935547_100000210414 [0,1,0,0,0,1|1,0,1]=4 1391 B13R1.14 CCC(=O)NCC1CCC(CC1)C 527a_103436935547_100000210414 [0,1,0,0,0,1|1,0,1]=4 1392 B13R1.14 CCC(=O)NCC1CCN(CC1)C 240690a_100000746316_100000210414 [0,1,0,0,0,1|2,0,0]=4 1393 B13R1.14 CCC(=O)NCC1CCN(CC1)C 527a_100000746316_100000210414 [0,1,0,0,0,1|2,0,0]=4 1394 B13R1.14 CCC(=O)NN=C1CCS(=O)CC1 4a_100000183195_100000054990 [0,1,0,0,0,1|1,0,1]=4 1395 B13R1.14 CCC(=O)NNC1CCN(CC1)C 22a_100015184029_100000210414 [0,1,0,0,0,1|2,0,0]=4 1396 B13R1.14 CN1CCC(CC1)CNC(=O)CO 240690a_100000746316_100000210174 [0,1,0,0,0,1|2,0,0]=4 1397 B13R1.14 CN1CCC(CC1)CNC(=O)CO 527a_100000746316_100000210174 [0,1,0,0,0,1|2,0,0]=4 1398 B13R1.14 CN1CCC(CC1)NNC(=O)CO 22a_100015184029_100000210174 [0,1,0,0,0,1|2,0,0]=4 1399 B13R1.14 CNC(=O)CNC1CCC(=O)NC1 2230a_100000748762_100000183359 [0,1,0,0,0,1|1,0,0]=3 1400 B13R1.14 CNC(=O)CNC1CCC(=O)NC1 34a_100000748762_100000183359 [0,1,0,0,0,1|1,0,0]=3 1401 B13R1.14 CNC(=O)CNC1CCC(CC1)C 270004a_100000693194_100000185489 [0,1,0,0,0,1|1,0,1]=4 1402 B13R1.14 CNC(=O)CNC1CCC(CC1)O 270004a_100000693194_100000764474 [0,1,0,0,0,1|0,0,2]=4 1403 B13R1.14 CNC(=O)CNC1CCN(CC1)C 270004a_100000693194_100000210137 [0,1,0,0,0,1|2,0,0]=4 1404 B13R1.14 CNC(=O)CN[C@H]1CC[C@@H](CC1)C 2230a_100020625639_100000183359 [0,1,0,0,0,1|1,0,1]=4 1405 B13R1.14 CNC(=O)CN[C@H]1CC[C@@H](CC1)C 34a_100020625639_100000183359 [0,1,0,0,0,1|1,0,1]=4 1406 B13R1.14 CNC(=O)COC1CCC(=O)CC1 34a_100000764474_100000183359 [0,1,0,0,0,1|1,0,0]=3 1407 B13R1.14 CNC(=O)COC1CCC(=O)CC1 7a_100000764474_100000183359 [0,1,0,0,0,1|1,0,0]=3 1408 B13R1.14 CNC(=O)COC1CCC(=O)NC1 34a_100000079199_100000183359 [0,1,0,0,0,1|2,0,0]=4 1409 B13R1.14 CNC(=O)NCC1CCC(CC1)C 2708a_100102657272_103436935547 [0,1,0,0,0,1|1,0,1]=4 1410 B13R1.14 CNC(=O)NCC1CCC(CC1)C 2708a_103436935547_106832991635 [0,1,0,0,0,1|1,0,1]=4 1411 B13R1.14 CNC(=O)NCC1CCC(CC1)C 273464a_100102657272_103436935547 [0,1,0,0,0,1|1,0,1]=4 1412 B13R1.14 CNC(=O)NCC1CCC(CC1)C 273464a_103436935547_100102657272 [0,1,0,0,0,1|1,0,1]=4 1413 B13R1.14 CNC(=O)NCC1CCC(CC1)C 512a_106832991638_103436935547 [0,1,0,0,0,1|1,0,1]=4 1414 B13R1.14 CNC(=O)NCC1CCN(CC1)C 2708a_100102657272_100000746316 [0,1,0,0,0,1|2,0,0]=4 1415 B13R1.14 CNC(=O)NCC1CCN(CC1)C 273464a_100000746316_100102657272 [0,1,0,0,0,1|2,0,0]=4 1416 B13R1.14 CNC(=O)NCC1CCN(CC1)C 273464a_100102657272_100000746316 [0,1,0,0,0,1|2,0,0]=4 1417 B13R1.14 CNC(=O)NCC1CCN(CC1)C 512a_100000746316_100102657272 [0,1,0,0,0,1|2,0,0]=4 1418 B13R1.14 CNC(=O)NCC1CCN(CC1)C 512a_106832991638_100000746316 [0,1,0,0,0,1|2,0,0]=4 1419 B13R1.14 CNC(=O)NNC1CCN(CC1)C 273464a_100102657272_100015184029 [0,1,0,0,0,1|2,0,0]=4 1420 B13R1.14 CNC(=O)NNC1CCN(CC1)C 512a_100015184029_100102657272 [0,1,0,0,0,1|2,0,0]=4 1421 B13R1.14 CNC(=O)NNC1CCN(CC1)C 512a_106832991638_100015184029 [0,1,0,0,0,1|2,0,0]=4 1422 B13R1.14 COC(=O)CNC1CCC(=O)NC1 2230a_100000748762_100000747449 [0,1,0,0,0,1|1,0,0]=3 1423 B13R1.14 COC(=O)CNC1CCC(=O)NC1 34a_100000748762_100000747449 [0,1,0,0,0,1|1,0,0]=3 1424 B13R1.14 COC(=O)CN[C@H]1CC[C@@H](CC1)C 2230a_100020625639_100000747449 [0,1,0,0,0,1|1,0,1]=4 1425 B13R1.14 COC(=O)CN[C@H]1CC[C@@H](CC1)C 34a_100020625639_100000747449 [0,1,0,0,0,1|1,0,1]=4 1426 B13R1.14 COC(=O)COC1CCC(=O)CC1 34a_100000764474_100000747449 [0,1,0,0,0,1|1,0,0]=3 1427 B13R1.14 COC(=O)COC1CCC(=O)CC1 7a_100000764474_100000747449 [0,1,0,0,0,1|1,0,0]=3 1428 B13R1.14 COC(=O)COC1CCC(=O)NC1 34a_100000079199_100000747449 [0,1,0,0,0,1|2,0,0]=4 1429 B13R1.132 C=C(C)CN(C)C1CCC(=C)CC1 270004a_100000225649_100010272673 [0,1,0,0,0,1|2,0,0]=4 1430 B13R1.132 C=C1CCC(CC1)N(C)CC(=O)N 270004a_100000739694_100010272673 [0,1,0,0,0,1|2,0,0]=4 1431 B13R1.133 C=C(C)C(=O)NC1CCC(=O)NC1 11a_100000748762_100000185857 [0,1,0,0,0,1|2,0,0]=4 1432 B13R1.133 C=C(C)C(=O)NC1CCC(=O)NC1 1626a_100000748762_100000185857 [0,1,0,0,0,1|2,0,0]=4 1433 B13R1.133 C=C(C)C(C)NC1CCC(=O)NC1 269862a_100000748762_100011216138 [0,1,0,0,0,1|2,0,0]=4 1434 B13R1.133 C=C1CCC(CC1)N[C@H](C)C(=O)N 270004a_100000119354_100010272673 [0,1,0,0,0,1|2,0,0]=4 1435 B13R1.133 CC(=O)C(C)NC1CCC(=O)NC1 2230a_100000748762_100009814033 [0,1,0,0,0,1|1,0,0]=3 1436 B13R1.133 CC(=O)C(C)N[C@H]1CC[C@@H](CC1)C 2230a_100020625639_100009814033 [0,1,0,0,0,1|1,0,1]=4 1437 B13R1.133 CC(=O)C(C)OC1CCC(=O)CC1 7a_100000764474_100000179758 [0,1,0,0,0,1|1,0,0]=3 1438 B13R1.133 CC(=O)N(C)CC1CCN(CC1)C 240690a_100000751948_100015343762 [0,1,0,0,0,1|2,0,0]=4 1439 B13R1.133 CC(=O)N(C)CC1CCN(CC1)C 527a_100000751948_100103153847 [0,1,0,0,0,1|2,0,0]=4 1440 B13R1.133 CC(NC1CCC(=O)NC1)C(=O)N 2230a_100000748762_100000702099 [0,1,0,0,0,1|2,0,0]=4 1441 B13R1.133 CC(NC1CCC(=O)NC1)C(=O)N 34a_100000748762_100000702099 [0,1,0,0,0,1|2,0,0]=4 1442 B13R1.133 CC(OC1CCC(=O)CC1)C(=O)N 34a_100000764474_100000702099 [0,1,0,0,0,1|2,0,0]=4 1443 B13R1.133 CC(OC1CCC(=O)CC1)C(=O)N 7a_100000764474_100000702099 [0,1,0,0,0,1|2,0,0]=4 1444 B13R1.133 NC(=O)C(=O)NC1CCC(=O)NC1 240690a_100000748762_100011215815 [0,1,0,0,0,1|2,0,0]=4 1445 B13R1.133 NC(=O)C(F)NC1CCC(=O)NC1 2230a_100000748762_100009813875 [0,1,0,0,0,1|2,0,0]=4 1446 B13R1.133 NC(=O)C(F)NC1CCC(=O)NC1 34a_100000748762_100009813875 [0,1,0,0,0,1|2,0,0]=4 1447 B13R1.133 NC(=O)C(F)OC1CCC(=O)CC1 34a_100000764474_100009813875 [0,1,0,0,0,1|2,0,0]=4 1448 B13R1.133 NC(=O)C(F)OC1CCC(=O)CC1 7a_100000764474_100009813875 [0,1,0,0,0,1|2,0,0]=4 1449 B13R1.133 O=C1CCC(CC1)OC(F)C(=O)[O-] 34a_100000764474_100020610796 [0,1,0,0,0,1|2,0,0]=4 1450 B13R1.133 O=C1CCC(CN1)NC(F)C(=O)[O-] 34a_100000748762_100020610796 [0,1,0,0,0,1|2,0,0]=4 1451 B13R1.341 C=C(C)CNC1CCS(=O)(=O)CC1 2230a_100000739226_100000748629 [0,1,0,0,0,1|2,0,0]=4 1452 B13R1.341 C=C(C)CNC1CCS(=O)(=O)CC1 34a_100000739226_100000748629 [0,1,0,0,0,1|2,0,0]=4 1453 B13R1.341 CC(=O)NCC1CCC(CC1)(F)F 11a_100016988479_100015343762 [0,1,0,0,0,1|1,0,1]=4 1454 B13R1.341 CC(=O)NCC1CCC(CC1)(F)F 1626a_100016988479_100015343762 [0,1,0,0,0,1|1,0,1]=4 1455 B13R1.341 CC(=O)NCC1CCC(CC1)(F)F 240690a_100016988479_100015343762 [0,1,0,0,0,1|1,0,1]=4 1456 B13R1.341 CC(=O)NCC1CCC(CC1)(F)F 527a_100016988479_100103153847 [0,1,0,0,0,1|1,0,1]=4 1457 B13R1.341 CC(=O)NCC1CCS(=O)(=O)CC1 11a_100000693208_100015343762 [0,1,0,0,0,1|1,0,0]=3 1458 B13R1.341 CC(=O)NCC1CCS(=O)(=O)CC1 1626a_100000693208_100015343762 [0,1,0,0,0,1|1,0,0]=3 1459 B13R1.341 CC(=O)NCC1CCS(=O)(=O)CC1 240690a_100000693208_100015343762 [0,1,0,0,0,1|1,0,0]=3 1460 B13R1.341 CC(=O)NCC1CCS(=O)(=O)CC1 527a_100000693208_100103153847 [0,1,0,0,0,1|1,0,0]=3 1461 B13R1.341 CC(=O)NN=C1CCS(=O)(=O)CC1 4a_100000189765_100000015219 [0,1,0,0,0,1|1,0,1]=4 1462 B13R1.341 CC(=O)NNC1CCC(CC1)(F)F 22a_100160522295_100000070787 [0,1,0,0,0,1|1,0,1]=4 1463 B13R1.341 NC(=O)CNC1CCS(=O)(=O)CC1 2230a_100000739226_100000747473 [0,1,0,0,0,1|2,0,0]=4 1464 B13R1.341 NC(=O)CNC1CCS(=O)(=O)CC1 34a_100000739226_100000187820 [0,1,0,0,0,1|2,0,0]=4 1465 B13R1.341 O=C([O-])CNC1CCS(=O)(=O)CC1 34a_100000739226_100020667443 [0,1,0,0,0,1|2,0,0]=4 1466 B13R1.511 C=C(C)CNC1CCC(=O)N(C1)C 2230a_100011935005_100000748629 [0,1,0,0,0,1|2,0,0]=4 1467 B13R1.511 C=C(C)CNC1CCC(=O)N(C1)C 34a_100011935005_100000748629 [0,1,0,0,0,1|2,0,0]=4 1468 B13R1.511 CN1CC(CCC1=O)NCC(=O)N 2230a_100011935005_100000747473 [0,1,0,0,0,1|2,0,0]=4 1469 B13R1.511 CN1CC(CCC1=O)NCC(=O)N 34a_100011935005_100000187820 [0,1,0,0,0,1|2,0,0]=4 1470 B13R1.511 CN1CC(CCC1=O)NCC(=O)[O-] 34a_100011935005_100020667443 [0,1,0,0,0,1|2,0,0]=4 1471 B13R1.514 C=C(C)COC1(CCC(=O)CC1)C 34a_100012184276_100000748629 [0,1,0,0,0,1|2,0,0]=4 1472 B13R1.514 C=C(C)COC1(CCC(=O)CC1)C 7a_100012184276_100000748629 [0,1,0,0,0,1|2,0,0]=4 1473 B13R1.514 CC1(CCC(=O)CC1)OCC(=O)N 34a_100012184276_100000187820 [0,1,0,0,0,1|2,0,0]=4 1474 B13R1.514 CC1(CCC(=O)CC1)OCC(=O)N 7a_100012184276_100000187820 [0,1,0,0,0,1|2,0,0]=4 1475 B13R1.514 CC1(CCC(=O)CC1)OCC(=O)[O-] 34a_100012184276_100020667443 [0,1,0,0,0,1|2,0,0]=4 1476 B13R1.1869 CCC(=O)CN1CCNC(=O)CC1 269982a_100000698595_100000747405 [0,1,0,0,0,1|2,0,0]=4 1477 B13R1.1869 CNC(=O)CN1CCNC(=O)CC1 2230a_100000698595_100000183359 [0,1,0,0,0,1|2,0,0]=4 1478 B13R1.1869 CNC(=O)CN1CCNC(=O)CC1 269982a_100000698595_100000183359 [0,1,0,0,0,1|2,0,0]=4 1479 B13R1.1869 COC(=O)CN1CCNC(=O)CC1 2230a_100000698595_100000747449 [0,1,0,0,0,1|2,0,0]=4 1480 B13R1.1869 COC(=O)CN1CCNC(=O)CC1 269982a_100000698595_100000747449 [0,1,0,0,0,1|2,0,0]=4 1481 B13R1.3795 CC(=O)C(C)N1CCNC(=O)CC1 2230a_100000698595_100009814033 [0,1,0,0,0,1|2,0,0]=4 1482 B13R1.3795 CC(=O)C(C)N1CCNC(=O)CC1 269982a_100000698595_100009814033 [0,1,0,0,0,1|2,0,0]=4 1483 B13R1.5 CCC(=O)NC1CCC(CC1)C#N 11a_100102422146_100000210414 [0,2,0,0,0,0|1,0,1]=4 1484 B13R1.5 CCC(=O)NC1CCC(CC1)C#N 1626a_100102422146_100000210414 [0,2,0,0,0,0|1,0,1]=4 1485 B13R1.5 CCC(=O)NC1CCC(CC1)C#N 240690a_100102422146_100000210414 [0,2,0,0,0,0|1,0,1]=4 1486 B13R1.5 CCC(=O)NC1CCC(CC1)C#N 527a_100102422146_100000210414 [0,2,0,0,0,0|1,0,1]=4 1487 B13R1.5 CCC(=O)NC1CCC(CC1)CC 11a_100011194317_100000210414 [0,2,0,0,0,0|1,0,1]=4 1488 B13R1.5 CCC(=O)NC1CCC(CC1)CC 1626a_100011194317_100000210414 [0,2,0,0,0,0|1,0,1]=4 1489 B13R1.5 CCC(=O)NC1CCC(CC1)CC 240690a_100011194317_100000210414 [0,2,0,0,0,0|1,0,1]=4 1490 B13R1.5 CCC(=O)NC1CCC(CC1)CC 527a_100011194317_100000210414 [0,2,0,0,0,0|1,0,1]=4 1491 B13R1.5 CCC(=O)NC1CCC(CC1)OC 11a_100015205214_100000210414 [0,2,0,0,0,0|0,0,2]=4 1492 B13R1.5 CCC(=O)NC1CCC(CC1)OC 1626a_100015205214_100000210414 [0,2,0,0,0,0|0,0,2]=4 1493 B13R1.5 CCC(=O)NC1CCC(CC1)OC 240690a_100015205214_100000210414 [0,2,0,0,0,0|0,0,2]=4 1494 B13R1.5 CCC(=O)NC1CCC(CC1)OC 527a_100015205214_100000210414 [0,2,0,0,0,0|0,0,2]=4 1495 B13R1.5 CCC(=O)NC1CCN(CC1)CC 11a_100000199033_100000210414 [0,2,0,0,0,0|2,0,0]=4 1496 B13R1.5 CCC(=O)NC1CCN(CC1)CC 1626a_100000199033_100000210414 [0,2,0,0,0,0|2,0,0]=4 1497 B13R1.5 CCC(=O)NC1CCN(CC1)CC 240690a_100000199033_100000210414 [0,2,0,0,0,0|2,0,0]=4 1498 B13R1.5 CCC(=O)NC1CCN(CC1)CC 527a_100000199033_100000210414 [0,2,0,0,0,0|2,0,0]=4 1499 B13R1.5 CCC(=O)N[C@H]1CC[C@@H](CC1)CO 240690a_100009821084_100000210414 [0,2,0,0,0,0|0,0,2]=4 1500 B13R1.5 CCC(=O)N[C@H]1CC[C@@H](CC1)CO 527a_100009821084_100000210414 [0,2,0,0,0,0|0,0,2]=4 1501 B13R1.5 CCC1CCC(CC1)NC(=O)CO 240690a_100011194317_100000210174 [0,2,0,0,0,0|1,0,1]=4 1502 B13R1.5 CCC1CCC(CC1)NC(=O)CO 527a_100011194317_100000210174 [0,2,0,0,0,0|1,0,1]=4 1503 B13R1.5 CCC1CCC(CC1)NC(=O)NC 2708a_100011194317_106832991635 [0,2,0,0,0,0|1,0,1]=4 1504 B13R1.5 CCC1CCC(CC1)NC(=O)NC 2708a_100102657272_100011194317 [0,2,0,0,0,0|1,0,1]=4 1505 B13R1.5 CCC1CCC(CC1)NC(=O)NC 273464a_100011194317_100102657272 [0,2,0,0,0,0|1,0,1]=4 1506 B13R1.5 CCC1CCC(CC1)NC(=O)NC 273464a_100102657272_100011194317 [0,2,0,0,0,0|1,0,1]=4 1507 B13R1.5 CCC1CCC(CC1)NC(=O)NC 512a_100011194317_100102657272 [0,2,0,0,0,0|1,0,1]=4 1508 B13R1.5 CCC1CCC(CC1)NC(=O)NC 512a_106832991638_100011194317 [0,2,0,0,0,0|1,0,1]=4 1509 B13R1.5 CCN1CCC(CC1)NC(=O)CO 240690a_100000199033_100000210174 [0,2,0,0,0,0|2,0,0]=4 1510 B13R1.5 CCN1CCC(CC1)NC(=O)CO 527a_100000199033_100000210174 [0,2,0,0,0,0|2,0,0]=4 1511 B13R1.5 CCN1CCC(CC1)NC(=O)NC 2708a_100000199033_106832991635 [0,2,0,0,0,0|2,0,0]=4 1512 B13R1.5 CCN1CCC(CC1)NC(=O)NC 2708a_100102657272_100000199033 [0,2,0,0,0,0|2,0,0]=4 1513 B13R1.5 CCN1CCC(CC1)NC(=O)NC 273464a_100000199033_100102657272 [0,2,0,0,0,0|2,0,0]=4 1514 B13R1.5 CCN1CCC(CC1)NC(=O)NC 273464a_100102657272_100000199033 [0,2,0,0,0,0|2,0,0]=4 1515 B13R1.5 CCN1CCC(CC1)NC(=O)NC 512a_100000199033_100102657272 [0,2,0,0,0,0|2,0,0]=4 1516 B13R1.5 CCN1CCC(CC1)NC(=O)NC 512a_106832991638_100000199033 [0,2,0,0,0,0|2,0,0]=4 1517 B13R1.5 CCN1CCC(CC1)NC(=O)OC 2230a_100025775168_100000210202 [0,2,0,0,0,0|2,0,0]=4 1518 B13R1.5 CCN1CCC(CC1)NC(=O)OC 269982a_100025775168_100000204670 [0,2,0,0,0,0|2,0,0]=4 1519 B13R1.5 CCN1CCC(CC1)NC(=O)OC 34a_100025775168_100000210202 [0,2,0,0,0,0|2,0,0]=4 1520 B13R1.5 CNC(=O)NC1CCC(CC1)C#N 2708a_100102422146_106832991635 [0,2,0,0,0,0|1,0,1]=4 1521 B13R1.5 CNC(=O)NC1CCC(CC1)C#N 2708a_100102657272_100102422146 [0,2,0,0,0,0|1,0,1]=4 1522 B13R1.5 CNC(=O)NC1CCC(CC1)C#N 273464a_100102422146_100102657272 [0,2,0,0,0,0|1,0,1]=4 1523 B13R1.5 CNC(=O)NC1CCC(CC1)C#N 273464a_100102657272_100102422146 [0,2,0,0,0,0|1,0,1]=4 1524 B13R1.5 CNC(=O)NC1CCC(CC1)C#N 512a_100102422146_100102657272 [0,2,0,0,0,0|1,0,1]=4 1525 B13R1.5 CNC(=O)NC1CCC(CC1)C#N 512a_106832991638_100102422146 [0,2,0,0,0,0|1,0,1]=4 1526 B13R1.5 CNC(=O)NC1CCC(CC1)OC 2708a_100015205214_106832991635 [0,2,0,0,0,0|0,0,2]=4 1527 B13R1.5 CNC(=O)NC1CCC(CC1)OC 2708a_100102657272_100015205214 [0,2,0,0,0,0|0,0,2]=4 1528 B13R1.5 CNC(=O)NC1CCC(CC1)OC 273464a_100015205214_100102657272 [0,2,0,0,0,0|0,0,2]=4 1529 B13R1.5 CNC(=O)NC1CCC(CC1)OC 273464a_100102657272_100015205214 [0,2,0,0,0,0|0,0,2]=4 1530 B13R1.5 CNC(=O)NC1CCC(CC1)OC 512a_100015205214_100102657272 [0,2,0,0,0,0|0,0,2]=4 1531 B13R1.5 CNC(=O)NC1CCC(CC1)OC 512a_106832991638_100015205214 [0,2,0,0,0,0|0,0,2]=4 1532 B13R1.5 CNC(=O)N[C@H]1CC[C@@H](CC1)CO 2708a_100102657272_100009821084 [0,2,0,0,0,0|0,0,2]=4 1533 B13R1.5 CNC(=O)N[C@H]1CC[C@@H](CC1)CO 273464a_100009821084_100102657272 [0,2,0,0,0,0|0,0,2]=4 1534 B13R1.5 CNC(=O)N[C@H]1CC[C@@H](CC1)CO 273464a_100102657272_100009821084 [0,2,0,0,0,0|0,0,2]=4 1535 B13R1.5 CNC(=O)N[C@H]1CC[C@@H](CC1)CO 512a_106832991638_100009821084 [0,2,0,0,0,0|0,0,2]=4 1536 B13R1.5 COC(=O)NC1CCN(CC1)CF 269982a_100025775168_100015361967 [0,2,0,0,0,0|2,0,0]=4 1537 B13R1.5 COC(=O)NC1CCN(CC1)CF 34a_100025775168_100015361967 [0,2,0,0,0,0|2,0,0]=4 1538 B13R1.5 COC1CCC(CC1)NC(=O)CO 240690a_100015205214_100000210174 [0,2,0,0,0,0|0,0,2]=4 1539 B13R1.5 COC1CCC(CC1)NC(=O)CO 527a_100015205214_100000210174 [0,2,0,0,0,0|0,0,2]=4 1540 B13R1.5 N#CC1CCC(CC1)NC(=O)CO 240690a_100102422146_100000210174 [0,2,0,0,0,0|1,0,1]=4 1541 B13R1.5 N#CC1CCC(CC1)NC(=O)CO 527a_100102422146_100000210174 [0,2,0,0,0,0|1,0,1]=4 1542 B13R1.5 O=C(CO)N[C@H]1CC[C@@H](CC1)CO 240690a_100009821084_100000210174 [0,2,0,0,0,0|0,0,2]=4 1543 B13R1.5 O=C(CO)N[C@H]1CC[C@@H](CC1)CO 527a_100009821084_100000210174 [0,2,0,0,0,0|0,0,2]=4 1544 B13R1.36 CC(=O)N(C)C1CCN(CC1)CF 269982a_100000745782_100015361967 [0,2,0,0,0,0|2,0,0]=4 1545 B13R1.36 CC(=O)N(C)[C@H]1CC[C@@H](CC1)CO 11a_100009831571_100015343762 [0,2,0,0,0,0|0,0,2]=4 1546 B13R1.36 CC(=O)N(C)[C@H]1CC[C@@H](CC1)CO 240690a_100009831571_100015343762 [0,2,0,0,0,0|0,0,2]=4 1547 B13R1.36 CCC1CCC(CC1)N(C)C(=O)C 11a_100000207529_100015343762 [0,2,0,0,0,0|1,0,1]=4 1548 B13R1.36 CCC1CCC(CC1)N(C)C(=O)C 1626a_100000207529_100015343762 [0,2,0,0,0,0|1,0,1]=4 1549 B13R1.36 CCC1CCC(CC1)N(C)C(=O)C 240690a_100000207529_100015343762 [0,2,0,0,0,0|1,0,1]=4 1550 B13R1.36 CCC1CCC(CC1)N(C)C(=O)C 527a_100000207529_100103153847 [0,2,0,0,0,0|1,0,1]=4 1551 B13R1.36 CCN1CCC(CC1)N(C)C(=O)C 11a_100000207535_100015343762 [0,2,0,0,0,0|2,0,0]=4 1552 B13R1.36 CCN1CCC(CC1)N(C)C(=O)C 1626a_100000207535_100015343762 [0,2,0,0,0,0|2,0,0]=4 1553 B13R1.36 CCN1CCC(CC1)N(C)C(=O)C 2230a_100000745782_100000210202 [0,2,0,0,0,0|2,0,0]=4 1554 B13R1.36 CCN1CCC(CC1)N(C)C(=O)C 240690a_100000207535_100015343762 [0,2,0,0,0,0|2,0,0]=4 1555 B13R1.36 CCN1CCC(CC1)N(C)C(=O)C 269982a_100000745782_100000204670 [0,2,0,0,0,0|2,0,0]=4 1556 B13R1.142 C#CCN1CCC(CC1)NC(=O)C 2230a_100000747453_100000038162 [0,2,0,0,0,0|2,0,0]=4 1557 B13R1.142 C=CCN1CCC(CC1)NC(=O)C 2230a_100000747453_100000210623 [0,2,0,0,0,0|2,0,0]=4 1558 B13R1.142 C=CCN1CCC(CC1)NC(=O)C 269982a_100000747453_100000210623 [0,2,0,0,0,0|2,0,0]=4 1559 B13R1.142 CC(=O)NC1CCC(CC1)CCO 1626a_100000070672_100015343762 [0,2,0,0,0,0|0,0,2]=4 1560 B13R1.142 CC(=O)NC1CCC(CC1)CCO 240690a_100000070672_100015343762 [0,2,0,0,0,0|0,0,2]=4 1561 B13R1.142 CC(=O)NC1CCC(CC1)CCO 527a_100000070672_100103153847 [0,2,0,0,0,0|0,0,2]=4 1562 B13R1.142 CC(=O)NC1CCC(CC1)OCF 34a_100000161027_100015361967 [0,2,0,0,0,0|0,0,2]=4 1563 B13R1.142 CC(=O)NC1CCC(CC1)OCF 7a_100000161027_100015361967 [0,2,0,0,0,0|0,0,2]=4 1564 B13R1.142 CC(=O)NC1CCN(CC1)CC#N 2230a_100000747453_100011215382 [0,2,0,0,0,0|2,0,0]=4 1565 B13R1.142 CC(=O)NC1CCN(CC1)CC#N 269982a_100000747453_100011214920 [0,2,0,0,0,0|2,0,0]=4 1566 B13R1.142 CC(=O)NC1CCN(CC1)CC=O 2230a_100000747453_200015260668 [0,2,0,0,0,0|1,0,0]=3 1567 B13R1.142 CC(=O)NC1CCN(CC1)CC=O 269982a_100000747453_200015260668 [0,2,0,0,0,0|1,0,0]=3 1568 B13R1.142 CC(=O)NC1CCN(CC1)CCF 11a_100025757119_100015343762 [0,2,0,0,0,0|2,0,0]=4 1569 B13R1.142 CC(=O)NC1CCN(CC1)CCF 1626a_100025757119_100015343762 [0,2,0,0,0,0|2,0,0]=4 1570 B13R1.142 CC(=O)NC1CCN(CC1)CCF 2230a_100000747453_100011217306 [0,2,0,0,0,0|2,0,0]=4 1571 B13R1.142 CC(=O)NC1CCN(CC1)CCF 240690a_100025757119_100015343762 [0,2,0,0,0,0|2,0,0]=4 1572 B13R1.142 CC(=O)NC1CCN(CC1)CCF 269982a_100000747453_100011217306 [0,2,0,0,0,0|2,0,0]=4 1573 B13R1.142 CC(=O)NC1CCN(CC1)CCF 527a_100025757119_100103153847 [0,2,0,0,0,0|2,0,0]=4 1574 B13R1.142 CC(=O)NC1CCN(CC1)CCO 2230a_100000747453_100000211926 [0,2,0,0,0,0|1,0,1]=4 1575 B13R1.142 CC(=O)NC1CCN(CC1)CCO 269982a_100000747453_100000211926 [0,2,0,0,0,0|1,0,1]=4 1576 B13R1.142 CC(=O)N[C@H]1CC[C@@H](CC1)CC#N 11a_100132307480_100015343762 [0,2,0,0,0,0|1,0,1]=4 1577 B13R1.142 CC(=O)N[C@H]1CC[C@@H](CC1)CC#N 1626a_100132307480_100015343762 [0,2,0,0,0,0|1,0,1]=4 1578 B13R1.142 CC(=O)N[C@H]1CC[C@@H](CC1)CC#N 240690a_100132307480_100015343762 [0,2,0,0,0,0|1,0,1]=4 1579 B13R1.142 CC(=O)N[C@H]1CC[C@@H](CC1)CC#N 527a_100132307480_100103153847 [0,2,0,0,0,0|1,0,1]=4 1580 B13R1.142 CCCC1CCC(CC1)NC(=O)C 11a_100011234333_100015343762 [0,2,0,0,0,0|1,0,1]=4 1581 B13R1.142 CCCC1CCC(CC1)NC(=O)C 1626a_100011234333_100015343762 [0,2,0,0,0,0|1,0,1]=4 1582 B13R1.142 CCCC1CCC(CC1)NC(=O)C 240690a_100011234333_100015343762 [0,2,0,0,0,0|1,0,1]=4 1583 B13R1.142 CCCC1CCC(CC1)NC(=O)C 527a_100011234333_100103153847 [0,2,0,0,0,0|1,0,1]=4 1584 B13R1.142 CCCN1CCC(CC1)NC(=O)C 11a_100020645539_100015343762 [0,2,0,0,0,0|2,0,0]=4 1585 B13R1.142 CCCN1CCC(CC1)NC(=O)C 1626a_100020645539_100015343762 [0,2,0,0,0,0|2,0,0]=4 1586 B13R1.142 CCCN1CCC(CC1)NC(=O)C 2230a_100000747453_100000210303 [0,2,0,0,0,0|2,0,0]=4 1587 B13R1.142 CCCN1CCC(CC1)NC(=O)C 240690a_100020645539_100015343762 [0,2,0,0,0,0|2,0,0]=4 1588 B13R1.142 CCCN1CCC(CC1)NC(=O)C 269982a_100000747453_100000210303 [0,2,0,0,0,0|2,0,0]=4 1589 B13R1.142 CCCN1CCC(CC1)NC(=O)C 527a_100020645539_100103153847 [0,2,0,0,0,0|2,0,0]=4 1590 B13R1.142 CCNC1CCC(CC1)NC(=O)C 270004a_100015525214_100000735651 [0,2,0,0,0,0|1,0,1]=4 1591 B13R1.142 CCOC1CCC(CC1)NC(=O)C 34a_100000161027_100000210202 [0,2,0,0,0,0|0,0,2]=4 1592 B13R1.142 CCOC1CCC(CC1)NC(=O)C 7a_100000161027_100000210202 [0,2,0,0,0,0|0,0,2]=4 1593 B13R1.142 COCN1CCC(CC1)NC(=O)C 2230a_100000747453_100000766300 [0,2,0,0,0,0|1,0,1]=4 1594 B13R1.142 COCN1CCC(CC1)NC(=O)C 269982a_100000747453_100000766300 [0,2,0,0,0,0|1,0,1]=4 1595 B13R1.142 CSCN1CCC(CC1)NC(=O)C 2230a_100000747453_100011218213 [0,2,0,0,0,0|1,1,0]=4 1596 B13R1.142 CSCN1CCC(CC1)NC(=O)C 269982a_100000747453_100011218213 [0,2,0,0,0,0|1,1,0]=4 1597 B13R1.142 NC(=O)NC1CCN(CC1)CC=O 2230a_100000751166_200015260668 [0,2,0,0,0,0|2,0,0]=4 1598 B13R1.585 CC(=O)CC1CCN(CC1)C(=O)C 1458a_100011593296_200000210301 [0,2,0,0,0,0|2,0,0]=4 1599 B13R1.585 CC(=O)N1CCC(CC1)CC(=O)[13CH3] 1458a_100011593296_200025704644 [0,2,0,0,0,0|2,0,0]=4 1600 B13R1.585 CC(=O)N1CCC(CC1)NC(=O)N 11a_100000751166_100015343762 [0,2,0,0,0,0|2,0,0]=4 1601 B13R1.585 CC(=O)N1CCC(CC1)NC(=O)N 1626a_100000751166_100015343762 [0,2,0,0,0,0|2,0,0]=4 1602 B13R1.585 CC(=O)N1CCC(CC1)NC(=O)N 240690a_100000751166_100015343762 [0,2,0,0,0,0|2,0,0]=4 1603 B13R1.585 CC(=O)N1CCC(CC1)NC(=O)N 527a_100000751166_100103153847 [0,2,0,0,0,0|2,0,0]=4 1604 B13R1.585 CC(=O)NC1CCC(CC1)C(C)C 11a_100011734324_100015343762 [0,2,0,0,0,0|1,0,1]=4 1605 B13R1.585 CC(=O)NC1CCC(CC1)C(C)C 1626a_100011734324_100015343762 [0,2,0,0,0,0|1,0,1]=4 1606 B13R1.585 CC(=O)NC1CCC(CC1)C(C)C 240690a_100011734324_100015343762 [0,2,0,0,0,0|1,0,1]=4 1607 B13R1.585 CC(=O)NC1CCC(CC1)C(C)C 527a_100011734324_100103153847 [0,2,0,0,0,0|1,0,1]=4 1608 B13R1.585 CC(=O)NC1CCC(CC1)N(C)C 11a_100011752824_100015343762 [0,2,0,0,0,0|1,0,1]=4 1609 B13R1.585 CC(=O)NC1CCC(CC1)N(C)C 1626a_100011752824_100015343762 [0,2,0,0,0,0|1,0,1]=4 1610 B13R1.585 CC(=O)NC1CCC(CC1)N(C)C 240690a_100011752824_100015343762 [0,2,0,0,0,0|1,0,1]=4 1611 B13R1.585 CC(=O)NC1CCC(CC1)N(C)C 270004a_100102631434_100000735651 [0,2,0,0,0,0|1,0,1]=4 1612 B13R1.585 CC(=O)NC1CCC(CC1)N(C)C 527a_100011752824_100103153847 [0,2,0,0,0,0|1,0,1]=4 1613 B13R1.585 CC(=O)NC1CCN(CC1)C(=O)C 11a_100000203771_100015343762 [0,2,0,0,0,0|1,0,0]=3 1614 B13R1.585 CC(=O)NC1CCN(CC1)C(=O)C 11a_100000747453_100015343762 [0,2,0,0,0,0|1,0,0]=3 1615 B13R1.585 CC(=O)NC1CCN(CC1)C(=O)C 1626a_100000203771_100015343762 [0,2,0,0,0,0|1,0,0]=3 1616 B13R1.585 CC(=O)NC1CCN(CC1)C(=O)C 1626a_100000747453_100015343762 [0,2,0,0,0,0|1,0,0]=3 1617 B13R1.585 CC(=O)NC1CCN(CC1)C(=O)C 240690a_100000203771_100015343762 [0,2,0,0,0,0|1,0,0]=3 1618 B13R1.585 CC(=O)NC1CCN(CC1)C(=O)C 240690a_100000747453_100015343762 [0,2,0,0,0,0|1,0,0]=3 1619 B13R1.585 CC(=O)NC1CCN(CC1)C(=O)C 527a_100000203771_100103153847 [0,2,0,0,0,0|1,0,0]=3 1620 B13R1.585 CC(=O)NC1CCN(CC1)C(=O)C 527a_100000747453_100103153847 [0,2,0,0,0,0|1,0,0]=3 1621 B13R1.585 CC(=O)NC1CCN(CC1)C(C)C 11a_100000198580_100015343762 [0,2,0,0,0,0|2,0,0]=4 1622 B13R1.585 CC(=O)NC1CCN(CC1)C(C)C 1626a_100000198580_100015343762 [0,2,0,0,0,0|2,0,0]=4 1623 B13R1.585 CC(=O)NC1CCN(CC1)C(C)C 2230a_100000747453_100000210206 [0,2,0,0,0,0|2,0,0]=4 1624 B13R1.585 CC(=O)NC1CCN(CC1)C(C)C 240690a_100000198580_100015343762 [0,2,0,0,0,0|2,0,0]=4 1625 B13R1.585 CC(=O)NC1CCN(CC1)C(C)C 269982a_100000747453_100000210206 [0,2,0,0,0,0|2,0,0]=4 1626 B13R1.585 CC(=O)NC1CCN(CC1)C(C)C 527a_100000198580_100103153847 [0,2,0,0,0,0|2,0,0]=4 1627 B13R1.518 CN1CC(CCC1=O)NS(=O)(=O)C 40a_100011935005_100000738038 [0,2,0,0,0,0|2,0,0]=4 1628 B13R1.526 CC(=O)N[C@H]1CC[C@@H](C(C1)(C)C)O 11a_206256553148_100015343762 [0,2,0,0,0,0|0,0,2]=4 1629 B13R1.526 CC(=O)N[C@H]1CC[C@@H](C(C1)(C)C)O 1626a_206256553148_100015343762 [0,2,0,0,0,0|0,0,2]=4 1630 B13R1.526 CC(=O)N[C@H]1CC[C@@H](C(C1)(C)C)O 240690a_206256553148_100015343762 [0,2,0,0,0,0|0,0,2]=4 1631 B13R1.526 CC(=O)N[C@H]1CC[C@@H](C(C1)(C)C)O 527a_206256553148_100103153847 [0,2,0,0,0,0|0,0,2]=4 1632 B13R1.2879 C=CC(=O)NC1CCC(=O)N(C1)C 1626a_100011935005_100000185746 [0,2,0,0,0,0|1,0,1]=4 1633 B13R1.2879 C=CC(=O)NC1CCC(=O)N(C1)C 240690a_100011935005_200121576911 [0,2,0,0,0,0|1,0,1]=4 1634 B13R1.2879 CC1CC(CCN1C)NC(=O)CO 240690a_200000760522_100000210174 [0,2,0,0,0,0|2,0,0]=4 1635 B13R1.2879 CC1CC(CCN1C)NC(=O)CO 527a_200000760522_100000210174 [0,2,0,0,0,0|2,0,0]=4 1636 B13R1.2879 CCC(=O)NC1CCC(=O)N(C1)C 11a_100011935005_100000210414 [0,2,0,0,0,0|1,0,0]=3 1637 B13R1.2879 CCC(=O)NC1CCC(=O)N(C1)C 1626a_100011935005_100000210414 [0,2,0,0,0,0|1,0,0]=3 1638 B13R1.2879 CCC(=O)NC1CCC(=O)N(C1)C 240690a_100011935005_100000210414 [0,2,0,0,0,0|1,0,0]=3 1639 B13R1.2879 CCC(=O)NC1CCC(=O)N(C1)C 527a_100011935005_100000210414 [0,2,0,0,0,0|1,0,0]=3 1640 B13R1.2879 CCC(=O)NC1CCN(C(C1)C)C 1626a_200000760522_100000210414 [0,2,0,0,0,0|2,0,0]=4 1641 B13R1.2879 CCC(=O)NC1CCN(C(C1)C)C 240690a_200000760522_100000210414 [0,2,0,0,0,0|2,0,0]=4 1642 B13R1.2879 CCC(=O)NC1CCN(C(C1)C)C 527a_200000760522_100000210414 [0,2,0,0,0,0|2,0,0]=4 1643 B13R1.2879 CN1CC(CCC1=O)NC(=O)CO 240690a_100011935005_100000210174 [0,2,0,0,0,0|1,0,0]=3 1644 B13R1.2879 CN1CC(CCC1=O)NC(=O)CO 527a_100011935005_100000210174 [0,2,0,0,0,0|1,0,0]=3 1645 B13R1.2879 CNC(=O)NC1CCC(=O)N(C1)C 2708a_100011935005_106832991635 [0,2,0,0,0,0|1,0,0]=3 1646 B13R1.2879 CNC(=O)NC1CCC(=O)N(C1)C 2708a_100102657272_100011935005 [0,2,0,0,0,0|1,0,0]=3 1647 B13R1.2879 CNC(=O)NC1CCC(=O)N(C1)C 273464a_100011935005_100102657272 [0,2,0,0,0,0|1,0,0]=3 1648 B13R1.2879 CNC(=O)NC1CCC(=O)N(C1)C 512a_100011935005_100102657272 [0,2,0,0,0,0|1,0,0]=3 1649 B13R1.2879 CNC(=O)NC1CCC(=O)N(C1)C 512a_106832991638_100011935005 [0,2,0,0,0,0|1,0,0]=3 1650 B13R1.2879 CNC(=O)NC1CCN(C(C1)C)C 2708a_100102657272_200000760522 [0,2,0,0,0,0|2,0,0]=4 1651 B13R1.2879 CNC(=O)NC1CCN(C(C1)C)C 2708a_200000760522_106832991635 [0,2,0,0,0,0|2,0,0]=4 1652 B13R1.2879 CNC(=O)NC1CCN(C(C1)C)C 273464a_100102657272_200000760522 [0,2,0,0,0,0|2,0,0]=4 1653 B13R1.2879 CNC(=O)NC1CCN(C(C1)C)C 273464a_200000760522_100102657272 [0,2,0,0,0,0|2,0,0]=4 1654 B13R1.2879 CNC(=O)NC1CCN(C(C1)C)C 512a_106832991638_200000760522 [0,2,0,0,0,0|2,0,0]=4 1655 B13R1.2879 CNC(=O)NC1CCN(C(C1)C)C 512a_200000760522_100102657272 [0,2,0,0,0,0|2,0,0]=4 1656 B13R1.21 CCC(=O)N(C)C1CCN(CC1)C 11a_100025768347_100000210414 [0,2,0,0,0,0|2,0,0]=4 1657 B13R1.21 CCC(=O)N(C)C1CCN(CC1)C 240690a_100025768347_100000210414 [0,2,0,0,0,0|2,0,0]=4 1658 B13R1.21 CCC(=O)N(C)C1CCN(CC1)C 527a_100025768347_100000210414 [0,2,0,0,0,0|2,0,0]=4 1659 B13R1.21 CCC(=O)N(C)[C@H]1CC[C@H](CC1)O 11a_100020636401_100000210414 [0,2,0,0,0,0|0,0,2]=4 1660 B13R1.21 CCC(=O)N(C)[C@H]1CC[C@H](CC1)O 1626a_100020636401_100000210414 [0,2,0,0,0,0|0,0,2]=4 1661 B13R1.21 CCC(=O)N(C)[C@H]1CC[C@H](CC1)O 240690a_100020636401_100000210414 [0,2,0,0,0,0|0,0,2]=4 1662 B13R1.21 CCC(=O)N(C)[C@H]1CC[C@H](CC1)O 527a_100020636401_100000210414 [0,2,0,0,0,0|0,0,2]=4 1663 B13R1.21 CN(C(=O)CO)[C@H]1CC[C@H](CC1)O 240690a_100020636401_100000210174 [0,2,0,0,0,0|0,0,2]=4 1664 B13R1.21 CN(C(=O)CO)[C@H]1CC[C@H](CC1)O 527a_100020636401_100000210174 [0,2,0,0,0,0|0,0,2]=4 1665 B13R1.21 CN1CCC(CC1)N(C)C(=O)CO 240690a_100025768347_100000210174 [0,2,0,0,0,0|2,0,0]=4 1666 B13R1.21 CN1CCC(CC1)N(C)C(=O)CO 527a_100025768347_100000210174 [0,2,0,0,0,0|2,0,0]=4 1667 B13R1.21 CNC(=O)N(C)C1CCN(CC1)C 2708a_100102657272_100025768347 [0,2,0,0,0,0|2,0,0]=4 1668 B13R1.21 CNC(=O)N(C)C1CCN(CC1)C 273464a_100102657272_100025768347 [0,2,0,0,0,0|2,0,0]=4 1669 B13R1.21 CNC(=O)N(C)[C@H]1CC[C@H](CC1)O 2708a_100102657272_100020636401 [0,2,0,0,0,0|0,0,2]=4 1670 B13R1.21 CNC(=O)N(C)[C@H]1CC[C@H](CC1)O 273464a_100102657272_100020636401 [0,2,0,0,0,0|0,0,2]=4 1671 B13R1.706 CCN(C(=O)C)C1CCN(CC1)C 11a_100015204320_100015343762 [0,2,0,0,0,0|2,0,0]=4 1672 B13R1.706 CCN(C(=O)C)C1CCN(CC1)C 240690a_100015204320_100015343762 [0,2,0,0,0,0|2,0,0]=4 1673 B13R1.706 CCN(C(=O)C)C1CCN(CC1)C 527a_100015204320_100103153847 [0,2,0,0,0,0|2,0,0]=4 1674 B13R1.6178 CC(=O)N(C)C1CCS(=O)(=O)CC1 11a_100000765069_100015343762 [0,2,0,0,0,0|1,0,0]=3 1675 B13R1.6178 CC(=O)N(C)C1CCS(=O)(=O)CC1 1626a_100000765069_100015343762 [0,2,0,0,0,0|1,0,0]=3 1676 B13R1.6178 CC(=O)N(C)C1CCS(=O)(=O)CC1 240690a_100000765069_100015343762 [0,2,0,0,0,0|1,0,0]=3 1677 B13R1.6178 CC(=O)N(C)C1CCS(=O)(=O)CC1 527a_100000765069_100103153847 [0,2,0,0,0,0|1,0,0]=3 1678 B13R1.19 C#CCC(=O)NC1CCC(=O)NC1 1626a_100000748762_100011220946 [0,2,0,0,0,0|1,0,0]=3 1679 B13R1.19 C#CCC(=O)NC1CCC(=O)NC1 527a_100000748762_100011220946 [0,2,0,0,0,0|1,0,0]=3 1680 B13R1.19 C#CCC(=O)NC1CCN(CC1)C 527a_100000198570_100011220946 [0,2,0,0,0,0|2,0,0]=4 1681 B13R1.19 C#CCC(=O)N[C@H]1CC[C@@H](CC1)C 1626a_100020625639_100011220946 [0,2,0,0,0,0|1,0,1]=4 1682 B13R1.19 C#CCC(=O)N[C@H]1CC[C@@H](CC1)C 527a_100020625639_100011220946 [0,2,0,0,0,0|1,0,1]=4 1683 B13R1.19 C#CCC(=O)N[C@H]1CC[C@H](CC1)O 1626a_100020628982_100011220946 [0,2,0,0,0,0|0,0,2]=4 1684 B13R1.19 C=CCC(=O)NC1CCC(=O)NC1 11a_100000748762_100000210193 [0,2,0,0,0,0|1,0,0]=3 1685 B13R1.19 C=CCC(=O)NC1CCC(=O)NC1 1626a_100000748762_100000210193 [0,2,0,0,0,0|1,0,0]=3 1686 B13R1.19 C=CCC(=O)NC1CCC(=O)NC1 240690a_100000748762_100000210193 [0,2,0,0,0,0|1,0,0]=3 1687 B13R1.19 C=CCC(=O)NC1CCC(=O)NC1 527a_100000748762_100000210193 [0,2,0,0,0,0|1,0,0]=3 1688 B13R1.19 C=CCC(=O)NC1CCN(CC1)C 11a_100000198570_100000210193 [0,2,0,0,0,0|2,0,0]=4 1689 B13R1.19 C=CCC(=O)NC1CCN(CC1)C 240690a_100000198570_100000210193 [0,2,0,0,0,0|2,0,0]=4 1690 B13R1.19 C=CCC(=O)NC1CCN(CC1)C 527a_100000198570_100000210193 [0,2,0,0,0,0|2,0,0]=4 1691 B13R1.19 C=CCC(=O)N[C@H]1CC[C@@H](CC1)C 1626a_100020625639_100000210193 [0,2,0,0,0,0|1,0,1]=4 1692 B13R1.19 C=CCC(=O)N[C@H]1CC[C@@H](CC1)C 240690a_100020625639_100000210193 [0,2,0,0,0,0|1,0,1]=4 1693 B13R1.19 C=CCC(=O)N[C@H]1CC[C@@H](CC1)C 527a_100020625639_100000210193 [0,2,0,0,0,0|1,0,1]=4 1694 B13R1.19 C=CCC(=O)N[C@H]1CC[C@H](CC1)O 1626a_100020628982_100000210193 [0,2,0,0,0,0|0,0,2]=4 1695 B13R1.19 C=CCC(=O)N[C@H]1CC[C@H](CC1)O 240690a_100020628982_100000210193 [0,2,0,0,0,0|0,0,2]=4 1696 B13R1.19 CC1CCC(CC1)NC(=O)CS[13CH3] 62a_100000180146_200025704644 [0,2,0,0,0,0|1,0,1]=4 1697 B13R1.19 CC1CCC(CC1)NC(=O)CS[13CH3] 62a_200025704644_100000180146 [0,2,0,0,0,0|1,0,1]=4 1698 B13R1.19 CC=CC(=O)NC1CCC(=O)NC1 11a_100000748762_100000210699 [0,2,0,0,0,0|1,0,0]=3 1699 B13R1.19 CC=CC(=O)NC1CCC(=O)NC1 1626a_100000748762_100000210699 [0,2,0,0,0,0|1,0,0]=3 1700 B13R1.19 CC=CC(=O)NC1CCC(=O)NC1 240690a_100000748762_100000210699 [0,2,0,0,0,0|1,0,0]=3 1701 B13R1.19 CC=CC(=O)NC1CCN(CC1)C 11a_100000198570_100000210699 [0,2,0,0,0,0|2,0,0]=4 1702 B13R1.19 CC=CC(=O)NC1CCN(CC1)C 240690a_100000198570_100000210699 [0,2,0,0,0,0|2,0,0]=4 1703 B13R1.19 CC=CC(=O)N[C@H]1CC[C@@H](CC1)C 1626a_100020625639_100000210699 [0,2,0,0,0,0|1,0,1]=4 1704 B13R1.19 CC=CC(=O)N[C@H]1CC[C@@H](CC1)C 240690a_100020625639_100000210699 [0,2,0,0,0,0|1,0,1]=4 1705 B13R1.19 CC=CC(=O)N[C@H]1CC[C@H](CC1)O 1626a_100020628982_100000210699 [0,2,0,0,0,0|0,0,2]=4 1706 B13R1.19 CC=CC(=O)N[C@H]1CC[C@H](CC1)O 240690a_100020628982_100000210699 [0,2,0,0,0,0|0,0,2]=4 1707 B13R1.19 CCCC(=O)NC1CCC(=O)NC1 11a_100000748762_100000211992 [0,2,0,0,0,0|1,0,0]=3 1708 B13R1.19 CCCC(=O)NC1CCC(=O)NC1 1626a_100000748762_100000211992 [0,2,0,0,0,0|1,0,0]=3 1709 B13R1.19 CCCC(=O)NC1CCC(=O)NC1 240690a_100000748762_100000211992 [0,2,0,0,0,0|1,0,0]=3 1710 B13R1.19 CCCC(=O)NC1CCC(=O)NC1 527a_100000748762_100000211992 [0,2,0,0,0,0|1,0,0]=3 1711 B13R1.19 CCCC(=O)NC1CCN(CC1)C 11a_100000198570_100000211992 [0,2,0,0,0,0|2,0,0]=4 1712 B13R1.19 CCCC(=O)NC1CCN(CC1)C 240690a_100000198570_100000211992 [0,2,0,0,0,0|2,0,0]=4 1713 B13R1.19 CCCC(=O)NC1CCN(CC1)C 527a_100000198570_100000211992 [0,2,0,0,0,0|2,0,0]=4 1714 B13R1.19 CCCC(=O)N[C@H]1CC[C@@H](CC1)C 1626a_100020625639_100000211992 [0,2,0,0,0,0|1,0,1]=4 1715 B13R1.19 CCCC(=O)N[C@H]1CC[C@@H](CC1)C 240690a_100020625639_100000211992 [0,2,0,0,0,0|1,0,1]=4 1716 B13R1.19 CCCC(=O)N[C@H]1CC[C@@H](CC1)C 527a_100020625639_100000211992 [0,2,0,0,0,0|1,0,1]=4 1717 B13R1.19 CCCC(=O)N[C@H]1CC[C@H](CC1)O 1626a_100020628982_100000211992 [0,2,0,0,0,0|0,0,2]=4 1718 B13R1.19 CCCC(=O)N[C@H]1CC[C@H](CC1)O 240690a_100020628982_100000211992 [0,2,0,0,0,0|0,0,2]=4 1719 B13R1.19 CCNC(=O)NC1CCC(=O)NC1 2708a_100000748762_100015525214 [0,2,0,0,0,0|1,0,0]=3 1720 B13R1.19 CCNC(=O)NC1CCC(=O)NC1 2708a_100015525214_100000748762 [0,2,0,0,0,0|1,0,0]=3 1721 B13R1.19 CCNC(=O)NC1CCC(=O)NC1 273464a_100000748762_100015525214 [0,2,0,0,0,0|1,0,0]=3 1722 B13R1.19 CCNC(=O)NC1CCC(=O)NC1 273464a_100015525214_100000748762 [0,2,0,0,0,0|1,0,0]=3 1723 B13R1.19 CCNC(=O)NC1CCC(=O)NC1 512a_100000748762_100015525214 [0,2,0,0,0,0|1,0,0]=3 1724 B13R1.19 CCNC(=O)NC1CCC(=O)NC1 512a_100015525214_100000748762 [0,2,0,0,0,0|1,0,0]=3 1725 B13R1.19 CCNC(=O)NC1CCN(CC1)C 2708a_100000198570_100015525214 [0,2,0,0,0,0|2,0,0]=4 1726 B13R1.19 CCNC(=O)NC1CCN(CC1)C 2708a_100015525214_100000198570 [0,2,0,0,0,0|2,0,0]=4 1727 B13R1.19 CCNC(=O)NC1CCN(CC1)C 273464a_100000198570_100015525214 [0,2,0,0,0,0|2,0,0]=4 1728 B13R1.19 CCNC(=O)NC1CCN(CC1)C 273464a_100015525214_100000198570 [0,2,0,0,0,0|2,0,0]=4 1729 B13R1.19 CCNC(=O)NC1CCN(CC1)C 512a_100000198570_100015525214 [0,2,0,0,0,0|2,0,0]=4 1730 B13R1.19 CCNC(=O)NC1CCN(CC1)C 512a_100015525214_100000198570 [0,2,0,0,0,0|2,0,0]=4 1731 B13R1.19 CCNC(=O)N[C@H]1CC[C@@H](CC1)C 2708a_100015525214_100020625639 [0,2,0,0,0,0|1,0,1]=4 1732 B13R1.19 CCNC(=O)N[C@H]1CC[C@@H](CC1)C 2708a_100020625639_100015525214 [0,2,0,0,0,0|1,0,1]=4 1733 B13R1.19 CCNC(=O)N[C@H]1CC[C@@H](CC1)C 273464a_100015525214_100020625639 [0,2,0,0,0,0|1,0,1]=4 1734 B13R1.19 CCNC(=O)N[C@H]1CC[C@@H](CC1)C 273464a_100020625639_100015525214 [0,2,0,0,0,0|1,0,1]=4 1735 B13R1.19 CCNC(=O)N[C@H]1CC[C@H](CC1)O 2708a_100015525214_100020628982 [0,2,0,0,0,0|0,0,2]=4 1736 B13R1.19 CCNC(=O)N[C@H]1CC[C@H](CC1)O 2708a_100020628982_100015525214 [0,2,0,0,0,0|0,0,2]=4 1737 B13R1.19 CCNC(=O)N[C@H]1CC[C@H](CC1)O 273464a_100015525214_100020628982 [0,2,0,0,0,0|0,0,2]=4 1738 B13R1.19 CCNC(=O)N[C@H]1CC[C@H](CC1)O 273464a_100020628982_100015525214 [0,2,0,0,0,0|0,0,2]=4 1739 B13R1.19 CCNC(=O)N[C@H]1CC[C@H](CC1)O 512a_100015525214_100020628982 [0,2,0,0,0,0|0,0,2]=4 1740 B13R1.19 CCOC(=O)NC1CCN(CC1)C 2230a_100011206634_200000210301 [0,2,0,0,0,0|2,0,0]=4 1741 B13R1.19 CCOC(=O)NC1CCN(CC1)C 269982a_100011206634_200000210301 [0,2,0,0,0,0|2,0,0]=4 1742 B13R1.19 CCOC(=O)NC1CCN(CC1)[13CH3] 2230a_100011206634_200025704644 [0,2,0,0,0,0|2,0,0]=4 1743 B13R1.19 CCOC(=O)NC1CCN(CC1)[13CH3] 269982a_100011206634_200025704644 [0,2,0,0,0,0|2,0,0]=4 1744 B13R1.19 CN1CCC(CC1)NC(=O)CC#N 240690a_100000198570_100051588842 [0,2,0,0,0,0|2,0,0]=4 1745 B13R1.19 CN1CCC(CC1)NC(=O)CCO 240690a_100000198570_100011216618 [0,2,0,0,0,0|2,0,0]=4 1746 B13R1.19 CNCC(=O)NC1CCC(CC1)C 2230a_106832991635_100000180146 [0,2,0,0,0,0|1,0,1]=4 1747 B13R1.19 CNCC(=O)NC1CCC(CC1)C 34a_100102657272_100000180146 [0,2,0,0,0,0|1,0,1]=4 1748 B13R1.19 CNCC(=O)NC1CCC(CC1)C 7a_106832991635_100000180146 [0,2,0,0,0,0|1,0,1]=4 1749 B13R1.19 CNNC(=O)NC1CCC(=O)NC1 273464a_100000748762_100016993582 [0,2,0,0,0,0|1,0,0]=3 1750 B13R1.19 CNNC(=O)NC1CCC(=O)NC1 512a_100000748762_100016993582 [0,2,0,0,0,0|1,0,0]=3 1751 B13R1.19 CNNC(=O)NC1CCC(=O)NC1 512a_100016993582_100000748762 [0,2,0,0,0,0|1,0,0]=3 1752 B13R1.19 CNNC(=O)NC1CCN(CC1)C 273464a_100000198570_100016993582 [0,2,0,0,0,0|2,0,0]=4 1753 B13R1.19 CNNC(=O)NC1CCN(CC1)C 512a_100000198570_100016993582 [0,2,0,0,0,0|2,0,0]=4 1754 B13R1.19 CNNC(=O)NC1CCN(CC1)C 512a_100016993582_100000198570 [0,2,0,0,0,0|2,0,0]=4 1755 B13R1.19 CNNC(=O)N[C@H]1CC[C@@H](CC1)C 273464a_100020625639_100016993582 [0,2,0,0,0,0|1,0,1]=4 1756 B13R1.19 CNNC(=O)N[C@H]1CC[C@H](CC1)O 273464a_100020628982_100016993582 [0,2,0,0,0,0|0,0,2]=4 1757 B13R1.19 CNNC(=O)N[C@H]1CC[C@H](CC1)O 512a_100016993582_100020628982 [0,2,0,0,0,0|0,0,2]=4 1758 B13R1.19 COCC(=O)NC1CCC(=O)NC1 11a_100000748762_100000210968 [0,2,0,0,0,0|1,0,0]=3 1759 B13R1.19 COCC(=O)NC1CCC(=O)NC1 1626a_100000748762_100000210968 [0,2,0,0,0,0|1,0,0]=3 1760 B13R1.19 COCC(=O)NC1CCC(=O)NC1 240690a_100000748762_100000210968 [0,2,0,0,0,0|1,0,0]=3 1761 B13R1.19 COCC(=O)NC1CCC(=O)NC1 527a_100000748762_100000210968 [0,2,0,0,0,0|1,0,0]=3 1762 B13R1.19 COCC(=O)NC1CCC(CC1)C 34a_100138415774_100000180146 [0,2,0,0,0,0|1,0,1]=4 1763 B13R1.19 COCC(=O)NC1CCN(CC1)C 11a_100000198570_100000210968 [0,2,0,0,0,0|2,0,0]=4 1764 B13R1.19 COCC(=O)NC1CCN(CC1)C 240690a_100000198570_100000210968 [0,2,0,0,0,0|2,0,0]=4 1765 B13R1.19 COCC(=O)NC1CCN(CC1)C 527a_100000198570_100000210968 [0,2,0,0,0,0|2,0,0]=4 1766 B13R1.19 COCC(=O)N[C@H]1CC[C@@H](CC1)C 1626a_100020625639_100000210968 [0,2,0,0,0,0|1,0,1]=4 1767 B13R1.19 COCC(=O)N[C@H]1CC[C@@H](CC1)C 240690a_100020625639_100000210968 [0,2,0,0,0,0|1,0,1]=4 1768 B13R1.19 COCC(=O)N[C@H]1CC[C@@H](CC1)C 527a_100020625639_100000210968 [0,2,0,0,0,0|1,0,1]=4 1769 B13R1.19 COCC(=O)N[C@H]1CC[C@H](CC1)O 1626a_100020628982_100000210968 [0,2,0,0,0,0|0,0,2]=4 1770 B13R1.19 COCC(=O)N[C@H]1CC[C@H](CC1)O 240690a_100020628982_100000210968 [0,2,0,0,0,0|0,0,2]=4 1771 B13R1.19 CSCC(=O)NC1CCC(=O)NC1 11a_100000748762_100000184570 [0,2,0,0,0,0|1,0,0]=3 1772 B13R1.19 CSCC(=O)NC1CCC(=O)NC1 1626a_100000748762_100000184570 [0,2,0,0,0,0|1,0,0]=3 1773 B13R1.19 CSCC(=O)NC1CCC(=O)NC1 240690a_100000748762_100000184570 [0,2,0,0,0,0|1,0,0]=3 1774 B13R1.19 CSCC(=O)NC1CCC(=O)NC1 527a_100000748762_100000184570 [0,2,0,0,0,0|1,0,0]=3 1775 B13R1.19 CSCC(=O)NC1CCC(CC1)C 62a_100000180146_200000210301 [0,2,0,0,0,0|1,0,1]=4 1776 B13R1.19 CSCC(=O)NC1CCC(CC1)C 62a_200000210301_100000180146 [0,2,0,0,0,0|1,0,1]=4 1777 B13R1.19 CSCC(=O)NC1CCN(CC1)C 11a_100000198570_100000184570 [0,2,0,0,0,0|2,0,0]=4 1778 B13R1.19 CSCC(=O)NC1CCN(CC1)C 240690a_100000198570_100000184570 [0,2,0,0,0,0|2,0,0]=4 1779 B13R1.19 CSCC(=O)NC1CCN(CC1)C 527a_100000198570_100000184570 [0,2,0,0,0,0|2,0,0]=4 1780 B13R1.19 CSCC(=O)N[C@H]1CC[C@@H](CC1)C 1626a_100020625639_100000184570 [0,2,0,0,0,0|1,0,1]=4 1781 B13R1.19 CSCC(=O)N[C@H]1CC[C@@H](CC1)C 240690a_100020625639_100000184570 [0,2,0,0,0,0|1,0,1]=4 1782 B13R1.19 CSCC(=O)N[C@H]1CC[C@@H](CC1)C 527a_100020625639_100000184570 [0,2,0,0,0,0|1,0,1]=4 1783 B13R1.19 CSCC(=O)N[C@H]1CC[C@H](CC1)O 1626a_100020628982_100000184570 [0,2,0,0,0,0|0,0,2]=4 1784 B13R1.19 CSCC(=O)N[C@H]1CC[C@H](CC1)O 240690a_100020628982_100000184570 [0,2,0,0,0,0|0,0,2]=4 1785 B13R1.19 C[C@H]1CC[C@@H](CC1)NC(=O)CC#N 1626a_100020625639_100051588842 [0,2,0,0,0,0|1,0,1]=4 1786 B13R1.19 C[C@H]1CC[C@@H](CC1)NC(=O)CC#N 240690a_100020625639_100051588842 [0,2,0,0,0,0|1,0,1]=4 1787 B13R1.19 C[C@H]1CC[C@@H](CC1)NC(=O)CCO 240690a_100020625639_100011216618 [0,2,0,0,0,0|1,0,1]=4 1788 B13R1.19 N#CCC(=O)NC1CCC(=O)NC1 1626a_100000748762_100051588842 [0,2,0,0,0,0|1,0,0]=3 1789 B13R1.19 N#CCC(=O)NC1CCC(=O)NC1 240690a_100000748762_100051588842 [0,2,0,0,0,0|1,0,0]=3 1790 B13R1.19 N#CCC(=O)N[C@H]1CC[C@H](CC1)O 1626a_100020628982_100051588842 [0,2,0,0,0,0|0,0,2]=4 1791 B13R1.19 N#CCC(=O)N[C@H]1CC[C@H](CC1)O 240690a_100020628982_100051588842 [0,2,0,0,0,0|0,0,2]=4 1792 B13R1.19 O=C(C=CBr)NC1CCC(=O)NC1 1626a_100000748762_100016273825 [0,2,0,0,0,0|1,0,1]=4 1793 B13R1.19 O=C(C=CBr)NC1CCC(=O)NC1 240690a_100000748762_100016273825 [0,2,0,0,0,0|1,0,1]=4 1794 B13R1.19 O=C(C=CCl)NC1CCC(=O)NC1 11a_100000748762_200016279998 [0,2,0,0,0,0|1,0,1]=4 1795 B13R1.19 O=C(C=CCl)NC1CCC(=O)NC1 1626a_100000748762_200016279998 [0,2,0,0,0,0|1,0,1]=4 1796 B13R1.19 O=C(C=CCl)NC1CCC(=O)NC1 240690a_100000748762_200016279998 [0,2,0,0,0,0|1,0,1]=4 1797 B13R1.19 O=C(C=CI)NC1CCC(=O)NC1 1626a_100000748762_100016256311 [0,2,0,0,0,0|1,0,1]=4 1798 B13R1.19 O=C(CCO)N[C@H]1CC[C@H](CC1)O 240690a_100020628982_100011216618 [0,2,0,0,0,0|0,0,2]=4 1799 B13R1.19 O=C1CCC(CN1)NC(=O)CCO 240690a_100000748762_100011216618 [0,2,0,0,0,0|1,0,0]=3 1800 B13R1.249 CCS(=O)(=O)NC1CCC(=O)NC1 270084a_100000748762_100000211323 [0,2,0,0,0,0|2,0,0]=4 1801 B13R1.249 CCS(=O)(=O)NC1CCC(=O)NC1 274078a_100000748762_100000211323 [0,2,0,0,0,0|2,0,0]=4 1802 B13R1.249 CCS(=O)(=O)NC1CCC(=O)NC1 40a_100000748762_100000053943 [0,2,0,0,0,0|2,0,0]=4 1803 B13R1.249 O=C1CCC(CN1)NS(=O)(=O)CCl 270084a_100000748762_100000031410 [0,2,0,0,0,0|2,0,0]=4 1804 B13R1.249 O=C1CCC(CN1)NS(=O)(=O)CCl 274078a_100000748762_100000031410 [0,2,0,0,0,0|2,0,0]=4 1805 B13R1.2679 CCC(=O)NC1CCC(=O)NC1=O 11a_100000691121_100000210414 [0,2,0,0,0,0|1,0,1]=4 1806 B13R1.2679 CCC(=O)NC1CCC(=O)NC1=O 1626a_100000691121_100000210414 [0,2,0,0,0,0|1,0,1]=4 1807 B13R1.2679 CCC(=O)NC1CCC(=O)NC1=O 240690a_100000691121_100000210414 [0,2,0,0,0,0|1,0,1]=4 1808 B13R1.2679 CCC(=O)NC1CCC(=O)NC1=O 527a_100000691121_100000210414 [0,2,0,0,0,0|1,0,1]=4 1809 B13R1.2679 CNC(=O)NC1CCC(=O)NC1=O 2708a_100102657272_100000691121 [0,2,0,0,0,0|1,0,1]=4 1810 B13R1.2679 CNC(=O)NC1CCC(=O)NC1=O 273464a_100102657272_100000691121 [0,2,0,0,0,0|1,0,1]=4 1811 B13R1.2679 CNC(=O)NC1CCC(=O)NC1=O 512a_100000691121_100102657272 [0,2,0,0,0,0|1,0,1]=4 1812 B13R1.2679 CNC(=O)NC1CCC(=O)NC1=O 512a_106832991638_100000691121 [0,2,0,0,0,0|1,0,1]=4 1813 B13R1.2679 O=C1CCC(C(=O)N1)NC(=O)CO 240690a_100000691121_100000210174 [0,2,0,0,0,0|1,0,1]=4 1814 B13R1.2679 O=C1CCC(C(=O)N1)NC(=O)CO 527a_100000691121_100000210174 [0,2,0,0,0,0|1,0,1]=4 1815 B13R1.2680 C=CC(=O)NC1CCS(=O)(=O)CC1 1626a_100000739226_100000185746 [0,2,0,0,0,0|1,0,1]=4 1816 B13R1.2680 C=CC(=O)NC1CCS(=O)(=O)CC1 240690a_100000739226_200121576911 [0,2,0,0,0,0|1,0,1]=4 1817 B13R1.2680 CC1(CCC(CC1)NC(=O)CO)C 240690a_100000757809_100000210174 [0,2,0,0,0,0|1,0,1]=4 1818 B13R1.2680 CC1(CCC(CC1)NC(=O)CO)C 527a_100000757809_100000210174 [0,2,0,0,0,0|1,0,1]=4 1819 B13R1.2680 CCC(=O)NC1CCC(CC1)(C)C 11a_100000757809_100000210414 [0,2,0,0,0,0|1,0,1]=4 1820 B13R1.2680 CCC(=O)NC1CCC(CC1)(C)C 1626a_100000757809_100000210414 [0,2,0,0,0,0|1,0,1]=4 1821 B13R1.2680 CCC(=O)NC1CCC(CC1)(C)C 240690a_100000757809_100000210414 [0,2,0,0,0,0|1,0,1]=4 1822 B13R1.2680 CCC(=O)NC1CCC(CC1)(C)C 527a_100000757809_100000210414 [0,2,0,0,0,0|1,0,1]=4 1823 B13R1.2680 CCC(=O)NC1CCC(CC1)(F)F 11a_100000694335_100000210414 [0,2,0,0,0,0|1,0,1]=4 1824 B13R1.2680 CCC(=O)NC1CCC(CC1)(F)F 1626a_100000694335_100000210414 [0,2,0,0,0,0|1,0,1]=4 1825 B13R1.2680 CCC(=O)NC1CCC(CC1)(F)F 240690a_100000694335_100000210414 [0,2,0,0,0,0|1,0,1]=4 1826 B13R1.2680 CCC(=O)NC1CCC(CC1)(F)F 527a_100000694335_100000210414 [0,2,0,0,0,0|1,0,1]=4 1827 B13R1.2680 CCC(=O)NC1CCS(=O)(=O)CC1 11a_100000739226_100000210414 [0,2,0,0,0,0|1,0,0]=3 1828 B13R1.2680 CCC(=O)NC1CCS(=O)(=O)CC1 1626a_100000739226_100000210414 [0,2,0,0,0,0|1,0,0]=3 1829 B13R1.2680 CCC(=O)NC1CCS(=O)(=O)CC1 240690a_100000739226_100000210414 [0,2,0,0,0,0|1,0,0]=3 1830 B13R1.2680 CCC(=O)NC1CCS(=O)(=O)CC1 527a_100000739226_100000210414 [0,2,0,0,0,0|1,0,0]=3 1831 B13R1.2680 CCC(=O)N[C@H]1CC[C@](CC1)(C)O 11a_202125554758_100000210414 [0,2,0,0,0,0|0,0,2]=4 1832 B13R1.2680 CCC(=O)N[C@H]1CC[C@](CC1)(C)O 1626a_202125554758_100000210414 [0,2,0,0,0,0|0,0,2]=4 1833 B13R1.2680 CCC(=O)N[C@H]1CC[C@](CC1)(C)O 240690a_202125554758_100000210414 [0,2,0,0,0,0|0,0,2]=4 1834 B13R1.2680 CCC(=O)N[C@H]1CC[C@](CC1)(C)O 527a_202125554758_100000210414 [0,2,0,0,0,0|0,0,2]=4 1835 B13R1.2680 CNC(=O)NC1CCC(CC1)(C)C 2708a_100000757809_106832991635 [0,2,0,0,0,0|1,0,1]=4 1836 B13R1.2680 CNC(=O)NC1CCC(CC1)(C)C 2708a_100102657272_100000757809 [0,2,0,0,0,0|1,0,1]=4 1837 B13R1.2680 CNC(=O)NC1CCC(CC1)(C)C 273464a_100000757809_100102657272 [0,2,0,0,0,0|1,0,1]=4 1838 B13R1.2680 CNC(=O)NC1CCC(CC1)(C)C 273464a_100102657272_100000757809 [0,2,0,0,0,0|1,0,1]=4 1839 B13R1.2680 CNC(=O)NC1CCC(CC1)(C)C 512a_100000757809_100102657272 [0,2,0,0,0,0|1,0,1]=4 1840 B13R1.2680 CNC(=O)NC1CCC(CC1)(C)C 512a_106832991638_100000757809 [0,2,0,0,0,0|1,0,1]=4 1841 B13R1.2680 CNC(=O)NC1CCC(CC1)(F)F 2708a_100000694335_106832991635 [0,2,0,0,0,0|1,0,1]=4 1842 B13R1.2680 CNC(=O)NC1CCC(CC1)(F)F 2708a_100102657272_100000694335 [0,2,0,0,0,0|1,0,1]=4 1843 B13R1.2680 CNC(=O)NC1CCC(CC1)(F)F 273464a_100000694335_100102657272 [0,2,0,0,0,0|1,0,1]=4 1844 B13R1.2680 CNC(=O)NC1CCC(CC1)(F)F 273464a_100102657272_100000694335 [0,2,0,0,0,0|1,0,1]=4 1845 B13R1.2680 CNC(=O)NC1CCC(CC1)(F)F 512a_100000694335_100102657272 [0,2,0,0,0,0|1,0,1]=4 1846 B13R1.2680 CNC(=O)NC1CCC(CC1)(F)F 512a_106832991638_100000694335 [0,2,0,0,0,0|1,0,1]=4 1847 B13R1.2680 CNC(=O)NC1CCS(=O)(=O)CC1 2708a_100000739226_106832991635 [0,2,0,0,0,0|1,0,0]=3 1848 B13R1.2680 CNC(=O)NC1CCS(=O)(=O)CC1 2708a_100102657272_100000739226 [0,2,0,0,0,0|1,0,0]=3 1849 B13R1.2680 CNC(=O)NC1CCS(=O)(=O)CC1 273464a_100000739226_100102657272 [0,2,0,0,0,0|1,0,0]=3 1850 B13R1.2680 CNC(=O)NC1CCS(=O)(=O)CC1 273464a_100102657272_100000739226 [0,2,0,0,0,0|1,0,0]=3 1851 B13R1.2680 CNC(=O)NC1CCS(=O)(=O)CC1 512a_100000739226_100102657272 [0,2,0,0,0,0|1,0,0]=3 1852 B13R1.2680 CNC(=O)NC1CCS(=O)(=O)CC1 512a_106832991638_100000739226 [0,2,0,0,0,0|1,0,0]=3 1853 B13R1.2680 CNC(=O)N[C@H]1CC[C@](CC1)(C)O 2708a_100102657272_202125554758 [0,2,0,0,0,0|0,0,2]=4 1854 B13R1.2680 CNC(=O)N[C@H]1CC[C@](CC1)(C)O 2708a_202125554758_106832991635 [0,2,0,0,0,0|0,0,2]=4 1855 B13R1.2680 CNC(=O)N[C@H]1CC[C@](CC1)(C)O 273464a_100102657272_202125554758 [0,2,0,0,0,0|0,0,2]=4 1856 B13R1.2680 CNC(=O)N[C@H]1CC[C@](CC1)(C)O 512a_106832991638_202125554758 [0,2,0,0,0,0|0,0,2]=4 1857 B13R1.2680 CNC(=O)N[C@H]1CC[C@](CC1)(C)O 512a_202125554758_100102657272 [0,2,0,0,0,0|0,0,2]=4 1858 B13R1.2680 C[C@@]1(CC[C@@H](CC1)NC(=O)CO)O 240690a_202125554758_100000210174 [0,2,0,0,0,0|0,0,2]=4 1859 B13R1.2680 C[C@@]1(CC[C@@H](CC1)NC(=O)CO)O 527a_202125554758_100000210174 [0,2,0,0,0,0|0,0,2]=4 1860 B13R1.2680 O=C(CO)NC1CCC(CC1)(F)F 240690a_100000694335_100000210174 [0,2,0,0,0,0|1,0,1]=4 1861 B13R1.2680 O=C(CO)NC1CCC(CC1)(F)F 527a_100000694335_100000210174 [0,2,0,0,0,0|1,0,1]=4 1862 B13R1.2680 O=C(CO)NC1CCS(=O)(=O)CC1 240690a_100000739226_100000210174 [0,2,0,0,0,0|1,0,0]=3 1863 B13R1.2680 O=C(CO)NC1CCS(=O)(=O)CC1 527a_100000739226_100000210174 [0,2,0,0,0,0|1,0,0]=3 1864 B13R1.7873 CS(=O)(=O)NC1CCS(=O)(=O)CC1 40a_100000739226_100000738038 [0,2,0,0,0,0|2,0,0]=4 1865 B13R1.5953 CC(=O)NC1(CCC(CC1)C)C#N 1626a_100102947096_100015343762 [0,2,0,0,0,0|1,0,1]=4 1866 B13R1.5953 CC(=O)NC1(CCC(CC1)C)C#N 240690a_100102947096_100015343762 [0,2,0,0,0,0|1,0,1]=4 1867 B13R1.5953 CC(=O)NC1(CCC(CC1)C)C#N 527a_100102947096_100103153847 [0,2,0,0,0,0|1,0,1]=4 1868 B11R1.23 CCC(=O)C1CCNC(=O)C1 1458a_100000132800_100000210202 [0,0,1,1,0,0|0,0,0]=2 1869 B11R1.23 CCC(=O)N1CCNC(=O)C1 11a_100000184651_100000210414 [0,0,1,1,0,0|1,0,0]=3 1870 B11R1.23 CCC(=O)N1CCNC(=O)C1 1626a_100000184651_100000210414 [0,0,1,1,0,0|1,0,0]=3 1871 B11R1.23 CCC(=O)N1CCNC(=O)C1 240690a_100000184651_100000210414 [0,0,1,1,0,0|1,0,0]=3 1872 B11R1.23 CCC(=O)N1CCNC(=O)C1 527a_100000184651_100000210414 [0,0,1,1,0,0|1,0,0]=3 1873 B11R1.23 CCC(=O)N1CCOC(=O)C1 11a_100000131268_100000210414 [0,0,1,1,0,0|2,0,0]=4 1874 B11R1.23 CCC(=O)N1CCOC(=O)C1 240690a_100000131268_100000210414 [0,0,1,1,0,0|2,0,0]=4 1875 B11R1.23 CCC(=O)N1CCOC(=O)C1 527a_100000131268_100000210414 [0,0,1,1,0,0|2,0,0]=4 1876 B11R1.23 CCC(=O)[C@@H]1CCN=C(N1)C 1458a_100015271614_100000210202 [0,0,1,1,0,0|1,0,1]=4 1877 B11R1.23 CCC(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_100000210202 [0,0,1,1,0,0|2,0,0]=4 1878 B11R1.23 CNC(=O)C1CCNC(=O)C1 11a_106832991635_100000132800 [0,0,1,1,0,0|1,0,0]=3 1879 B11R1.23 CNC(=O)C1CCNC(=O)C1 1626a_100102657272_100000132800 [0,0,1,1,0,0|1,0,0]=3 1880 B11R1.23 CNC(=O)C1CCNC(=O)C1 240690a_100102657272_100000132800 [0,0,1,1,0,0|1,0,0]=3 1881 B11R1.23 CNC(=O)C1CCNC(=O)C1 527a_100102657272_100000132800 [0,0,1,1,0,0|1,0,0]=3 1882 B11R1.23 CNC(=O)N1CCNC(=O)C1 2708a_100102657272_100000184651 [0,0,1,1,0,0|2,0,0]=4 1883 B11R1.23 CNC(=O)N1CCNC(=O)C1 273464a_100102657272_100000184651 [0,0,1,1,0,0|2,0,0]=4 1884 B11R1.23 O=C1CC(CCN1)C(=O)CF 1458a_100000132800_100015361967 [0,0,1,1,0,0|1,0,0]=3 1885 B11R1.23 O=C1CN(CCN1)C(=O)CO 240690a_100000184651_100000210174 [0,0,1,1,0,0|2,0,0]=4 1886 B11R1.23 O=C1CN(CCN1)C(=O)CO 527a_100000184651_100000210174 [0,0,1,1,0,0|2,0,0]=4 1887 B11R1.75 CC(=O)NCC1CCN(C1)C 240690a_100000742581_100015343762 [0,0,1,1,0,0|2,0,0]=4 1888 B11R1.75 CC(=O)NCC1CCN(C1)C 527a_100000742581_100103153847 [0,0,1,1,0,0|2,0,0]=4 1889 B11R1.75 CC(=O)NCC1CNC(=O)C1 11a_100016993742_100015343762 [0,0,1,1,0,0|1,0,0]=3 1890 B11R1.75 CC(=O)NCC1CNC(=O)C1 1626a_100016993742_100015343762 [0,0,1,1,0,0|1,0,0]=3 1891 B11R1.75 CC(=O)NCC1CNC(=O)C1 240690a_100016993742_100015343762 [0,0,1,1,0,0|1,0,0]=3 1892 B11R1.75 CC(=O)NCC1CNC(=O)C1 527a_100016993742_100103153847 [0,0,1,1,0,0|1,0,0]=3 1893 B11R1.75 CC(=O)NC[C@H]1CCC(=O)N1 11a_100015423886_100015343762 [0,0,1,1,0,0|1,0,0]=3 1894 B11R1.75 CC(=O)NC[C@H]1CCC(=O)N1 1626a_100015423886_100015343762 [0,0,1,1,0,0|1,0,0]=3 1895 B11R1.75 CC(=O)NC[C@H]1CCC(=O)N1 240690a_100015423886_100015343762 [0,0,1,1,0,0|1,0,0]=3 1896 B11R1.75 CC(=O)NC[C@H]1CCC(=O)N1 527a_100015423886_100103153847 [0,0,1,1,0,0|1,0,0]=3 1897 B11R1.159 CC(=O)N1CCNC(=O)C1C 11a_100000750721_100015343762 [0,0,1,1,0,0|1,0,0]=3 1898 B11R1.159 CC(=O)N1CCNC(=O)C1C 1626a_100000750721_100015343762 [0,0,1,1,0,0|1,0,0]=3 1899 B11R1.159 CC(=O)N1CCNC(=O)C1C 240690a_100000750721_100015343762 [0,0,1,1,0,0|1,0,0]=3 1900 B11R1.159 CC(=O)N1CCNC(=O)C1C 527a_100000750721_100103153847 [0,0,1,1,0,0|1,0,0]=3 1901 B11R1.161 CC(=O)CCOC1CCC1=O 34a_100000759926_100009892977 [0,0,1,1,0,0|2,0,0]=4 1902 B11R1.161 CC(=O)CCOC1CCC1=O 7a_100000759926_100009892977 [0,0,1,1,0,0|2,0,0]=4 1903 B11R1.161 CC(=O)CCSC1CCC1=O 62a_100000053229_100009892977 [0,0,1,1,0,0|2,0,0]=4 1904 B11R1.161 CC(=O)CCSC1CCC1=O 62a_100009892977_100000053229 [0,0,1,1,0,0|2,0,0]=4 1905 B11R1.161 CC(=O)OCSC1CCC1=O 62a_100000076356_100009892977 [0,0,1,1,0,0|2,0,0]=4 1906 B11R1.161 CC(=O)OCSC1CCC1=O 62a_100009892977_100000076356 [0,0,1,1,0,0|2,0,0]=4 1907 B11R1.161 CC(C)NCCC1CCC1=O 2230a_100138425928_200016118888 [0,0,1,1,0,0|1,0,1]=4 1908 B11R1.224 CCC(=O)CSC1CC(=O)C1 62a_100009894365_100000747405 [0,0,1,1,0,0|2,0,0]=4 1909 B11R1.565 CC(=O)N1CCCC(CC1)C 11a_100025706717_100015343762 [0,0,1,1,0,0|1,0,1]=4 1910 B11R1.565 CC(=O)N1CCCC(CC1)C 1626a_100025706717_100015343762 [0,0,1,1,0,0|1,0,1]=4 1911 B11R1.565 CC(=O)N1CCCC(CC1)C 240690a_100025706717_100015343762 [0,0,1,1,0,0|1,0,1]=4 1912 B11R1.565 CC(=O)N1CCCC(CC1)C 527a_100025706717_100103153847 [0,0,1,1,0,0|1,0,1]=4 1913 B11R1.565 CC(=O)N1CCCC(CC1)O 240690a_100015186869_100015343762 [0,0,1,1,0,0|0,0,2]=4 1914 B11R1.565 CC(=O)N1CCCC(CC1)O 527a_100015186869_100103153847 [0,0,1,1,0,0|0,0,2]=4 1915 B11R1.565 CC(=O)N1CCCN(CC1)C 2230a_100000233754_200000210301 [0,0,1,1,0,0|2,0,0]=4 1916 B11R1.565 CC(=O)N1CCCN(CC1)C 240690a_100000211313_100015343762 [0,0,1,1,0,0|2,0,0]=4 1917 B11R1.565 CC(=O)N1CCCN(CC1)C 269982a_100000233754_200000210301 [0,0,1,1,0,0|2,0,0]=4 1918 B11R1.565 CC(=O)N1CCCN(CC1)[13CH3] 2230a_100000233754_200025704644 [0,0,1,1,0,0|2,0,0]=4 1919 B11R1.565 CC(=O)N1CCCN(CC1)[13CH3] 269982a_100000233754_200025704644 [0,0,1,1,0,0|2,0,0]=4 1920 B11R1.565 CC(=O)N1CCNC(=O)CC1 11a_100000698595_100015343762 [0,0,1,1,0,0|1,0,0]=3 1921 B11R1.565 CC(=O)N1CCNC(=O)CC1 1626a_100000698595_100015343762 [0,0,1,1,0,0|1,0,0]=3 1922 B11R1.565 CC(=O)N1CCNC(=O)CC1 240690a_100000698595_100015343762 [0,0,1,1,0,0|1,0,0]=3 1923 B11R1.565 CC(=O)N1CCNC(=O)CC1 527a_100000698595_100103153847 [0,0,1,1,0,0|1,0,0]=3 1924 B11R1.870 CC(=O)N1CC[C@H]1C(=O)CF 1458a_200015362969_100015361967 [0,0,1,1,0,0|1,0,0]=3 1925 B11R1.870 CCC(=O)[C@@H]1CCN1C(=O)C 1458a_200015362969_100000210202 [0,0,1,1,0,0|0,0,0]=2 1926 B11R1.870 CNC(=O)[C@@H]1CCN1C(=O)C 11a_106832991635_200015362969 [0,0,1,1,0,0|1,0,0]=3 1927 B11R1.870 CNC(=O)[C@@H]1CCN1C(=O)C 1626a_100102657272_200015362969 [0,0,1,1,0,0|1,0,0]=3 1928 B11R1.870 CNC(=O)[C@@H]1CCN1C(=O)C 240690a_100102657272_200015362969 [0,0,1,1,0,0|1,0,0]=3 1929 B11R1.870 CNC(=O)[C@@H]1CCN1C(=O)C 527a_100102657272_200015362969 [0,0,1,1,0,0|1,0,0]=3 1930 B11R1.870 COC(=O)[C@@H]1CCN1C(=O)C 11a_102516456887_100015343762 [0,0,1,1,0,0|1,0,0]=3 1931 B11R1.870 COC(=O)[C@@H]1CCN1C(=O)C 1626a_102516456887_100015343762 [0,0,1,1,0,0|1,0,0]=3 1932 B11R1.870 COC(=O)[C@@H]1CCN1C(=O)C 240690a_102516456887_100015343762 [0,0,1,1,0,0|1,0,0]=3 1933 B11R1.870 COC(=O)[C@@H]1CCN1C(=O)C 527a_102516456887_100103153847 [0,0,1,1,0,0|1,0,0]=3 1934 B11R1.870 COC(=O)[C@@H]1CC[C@@H]1C(=O)C 1458a_100009908320_200000210301 [0,0,1,1,0,0|2,0,0]=4 1935 B11R1.870 COC(=O)[C@@H]1CC[C@@H]1C(=O)[13CH3] 1458a_100009908320_200025704644 [0,0,1,1,0,0|2,0,0]=4 1936 B11R1.24 O=CCOC1CCCC(=O)C1 34a_100012613340_200009817547 [0,0,1,1,0,0|2,0,0]=4 1937 B11R1.53 CCC1CCCCN1C(=O)C 11a_100000210034_100015343762 [0,0,1,1,0,0|1,0,1]=4 1938 B11R1.53 CCC1CCCCN1C(=O)C 1626a_100000210034_100015343762 [0,0,1,1,0,0|1,0,1]=4 1939 B11R1.53 CCC1CCCCN1C(=O)C 240690a_100000210034_100015343762 [0,0,1,1,0,0|1,0,1]=4 1940 B11R1.53 CCC1CCCCN1C(=O)C 527a_100000210034_100103153847 [0,0,1,1,0,0|1,0,1]=4 1941 B11R1.742 CC(=O)NC1CCCCCC1 11a_100000210984_100015343762 [0,0,1,1,0,0|1,0,1]=4 1942 B11R1.742 CC(=O)NC1CCCCCC1 1626a_100000210984_100015343762 [0,0,1,1,0,0|1,0,1]=4 1943 B11R1.742 CC(=O)NC1CCCCCC1 240690a_100000210984_100015343762 [0,0,1,1,0,0|1,0,1]=4 1944 B11R1.742 CC(=O)NC1CCCCCC1 527a_100000210984_100103153847 [0,0,1,1,0,0|1,0,1]=4 1945 B11R1.918 COCCC1(CC1)NC(=O)C 11a_100020603293_100015343762 [0,0,1,1,0,0|2,0,0]=4 1946 B11R1.918 COCCC1(CC1)NC(=O)C 1626a_100020603293_100015343762 [0,0,1,1,0,0|2,0,0]=4 1947 B11R1.918 COCCC1(CC1)NC(=O)C 240690a_100020603293_100015343762 [0,0,1,1,0,0|2,0,0]=4 1948 B11R1.918 COCCC1(CC1)NC(=O)C 527a_100020603293_100103153847 [0,0,1,1,0,0|2,0,0]=4 1949 B11R1.1062 CCC1(CCCC1)NC(=O)C 11a_100015183760_100015343762 [0,0,1,1,0,0|1,0,1]=4 1950 B11R1.1062 CCC1(CCCC1)NC(=O)C 1626a_100015183760_100015343762 [0,0,1,1,0,0|1,0,1]=4 1951 B11R1.1062 CCC1(CCCC1)NC(=O)C 240690a_100015183760_100015343762 [0,0,1,1,0,0|1,0,1]=4 1952 B11R1.1062 CCC1(CCCC1)NC(=O)C 527a_100015183760_100103153847 [0,0,1,1,0,0|1,0,1]=4 1953 B11R1.74 CC(=O)C1CC(=O)NC(=O)C1 1458a_100000044373_200000210301 [0,0,1,1,0,0|1,0,1]=4 1954 B11R1.74 CC(=O)[C@@H]1C[C@H](NC(=S)N1)C 1458a_200015347995_200000210301 [0,0,1,1,0,0|1,1,0]=4 1955 B11R1.74 C[C@@H]1C[C@H](NC(=S)N1)C(=O)[13CH3] 1458a_200015347995_200025704644 [0,0,1,1,0,0|1,1,0]=4 1956 B11R1.74 [13CH3]C(=O)C1CC(=O)NC(=O)C1 1458a_100000044373_200025704644 [0,0,1,1,0,0|1,0,1]=4 1957 B11R1.743 CC(=O)NC1CN(C1)C(=O)C 11a_100000716753_100015343762 [0,0,1,1,0,0|1,0,0]=3 1958 B11R1.743 CC(=O)NC1CN(C1)C(=O)C 11a_100102955437_100015343762 [0,0,1,1,0,0|1,0,0]=3 1959 B11R1.743 CC(=O)NC1CN(C1)C(=O)C 1626a_100102955437_100015343762 [0,0,1,1,0,0|1,0,0]=3 1960 B11R1.743 CC(=O)NC1CN(C1)C(=O)C 240690a_100000716753_100015343762 [0,0,1,1,0,0|1,0,0]=3 1961 B11R1.743 CC(=O)NC1CN(C1)C(=O)C 240690a_100102955437_100015343762 [0,0,1,1,0,0|1,0,0]=3 1962 B11R1.743 CC(=O)NC1CN(C1)C(=O)C 527a_100000716753_100103153847 [0,0,1,1,0,0|1,0,0]=3 1963 B11R1.743 CC(=O)NC1CN(C1)C(=O)C 527a_100102955437_100103153847 [0,0,1,1,0,0|1,0,0]=3 1964 B11R1.743 CC(=O)OC1CN(C1)C(=O)C 240690a_100016994906_100015343762 [0,0,1,1,0,0|2,0,0]=4 1965 B11R1.743 CC(=O)OC1CN(C1)C(=O)C 527a_100016994906_100103153847 [0,0,1,1,0,0|2,0,0]=4 1966 B11R1.1040 CC(=O)N1C(CCC1(C)C)C 11a_100015204717_100015343762 [0,0,1,1,0,0|1,0,1]=4 1967 B11R1.1040 CC(=O)N1C(CCC1(C)C)C 1626a_100015204717_100015343762 [0,0,1,1,0,0|1,0,1]=4 1968 B11R1.1040 CC(=O)N1C(CCC1(C)C)C 240690a_100015204717_100015343762 [0,0,1,1,0,0|1,0,1]=4 1969 B11R2.824 CC(=O)N1C2CCC1CC2 11a_100000735658_100015343762 [1,0,0,1,0,0|0,0,1]=3 1970 B11R2.824 CC(=O)N1C2CCC1CC2 1626a_100000735658_100015343762 [1,0,0,1,0,0|0,0,1]=3 1971 B11R2.824 CC(=O)N1C2CCC1CC2 240690a_100000735658_100015343762 [1,0,0,1,0,0|0,0,1]=3 1972 B11R2.824 CC(=O)N1C2CCC1CC2 527a_100000735658_100103153847 [1,0,0,1,0,0|0,0,1]=3 1973 B11R2.860 CC(=O)NC1C2C1COC2 11a_100000702821_100015343762 [1,0,0,1,0,0|1,0,0]=3 1974 B11R2.860 CC(=O)NC1C2C1COC2 240690a_100000702821_100015343762 [1,0,0,1,0,0|1,0,0]=3 1975 B11R2.860 CC(=O)NC1C2C1COC2 527a_100000702821_100103153847 [1,0,0,1,0,0|1,0,0]=3 1976 B11R2.1852 CC(=O)[C@H]1[C@H]2[C@@H]1CCCC2 1458a_100153394716_200000210301 [1,0,0,1,0,0|1,0,1]=4 1977 B11R2.1852 [13CH3]C(=O)[C@H]1[C@H]2[C@@H]1CCCC2 1458a_100153394716_200025704644 [1,0,0,1,0,0|1,0,1]=4 1978 B11R2.845 CC(=O)N1CC2CCC1C2 11a_100000743476_100015343762 [0,0,0,1,1,0|1,0,1]=4 1979 B11R2.845 CC(=O)N1CC2CCC1C2 1626a_100000743476_100015343762 [0,0,0,1,1,0|1,0,1]=4 1980 B11R2.845 CC(=O)N1CC2CCC1C2 240690a_100000743476_100015343762 [0,0,0,1,1,0|1,0,1]=4 1981 B11R2.845 CC(=O)N1CC2CCC1C2 527a_100000743476_100103153847 [0,0,0,1,1,0|1,0,1]=4 1982 B13R2.1287 CC(=O)N[C@H]1CN2CCC1CC2 240690a_100016987387_100015343762 [0,0,0,1,0,1|2,0,0]=4 1983 B13R2.5120 CN1CCC2(CC1)CNC(=O)C2 2230a_100000764833_200000210301 [0,0,0,1,0,1|2,0,0]=4 1984 B13R2.5120 CN1CCC2(CC1)CNC(=O)C2 269982a_100000764833_200000210301 [0,0,0,1,0,1|2,0,0]=4 1985 B13R2.5120 CN1CCC2(CC1)CNC(=O)C2 34a_100000764833_200000210301 [0,0,0,1,0,1|2,0,0]=4 1986 B13R2.5120 [13CH3]N1CCC2(CC1)CNC(=O)C2 2230a_100000764833_200025704644 [0,0,0,1,0,1|2,0,0]=4 1987 B13R2.5120 [13CH3]N1CCC2(CC1)CNC(=O)C2 269982a_100000764833_200025704644 [0,0,0,1,0,1|2,0,0]=4 1988 B13R2.5120 [13CH3]N1CCC2(CC1)CNC(=O)C2 34a_100000764833_200025704644 [0,0,0,1,0,1|2,0,0]=4 1989 B13R2.1846 CCN1CCC2(CC1)CC(=O)N2 2230a_100000746869_100000210202 [0,1,0,1,0,0|2,0,0]=4 1990 B13R2.1846 CCN1CCC2(CC1)CC(=O)N2 34a_100000746869_100000210202 [0,1,0,1,0,0|2,0,0]=4 1991 B13R2.1846 O=C1CC2(N1)CCN(CC2)CF 34a_100000746869_100015361967 [0,1,0,1,0,0|2,0,0]=4 1992 B13R2.5559 CC(=O)N1CCN2CCC1CC2 240690a_100000027273_100015343762 [0,1,0,1,0,0|2,0,0]=4 1993 B13R2.5559 CC(=O)N1CCN2CCC1CC2 527a_100000027273_100103153847 [0,1,0,1,0,0|2,0,0]=4 1994 B13R2.1153 CCC(=O)N1CC2CCC1CC2 11a_100000750499_100000210414 [0,1,0,1,0,0|1,0,1]=4 1995 B13R2.1153 CCC(=O)N1CC2CCC1CC2 1626a_100000750499_100000210414 [0,1,0,1,0,0|1,0,1]=4 1996 B13R2.1153 CCC(=O)N1CC2CCC1CC2 240690a_100000750499_100000210414 [0,1,0,1,0,0|1,0,1]=4 1997 B13R2.1153 CCC(=O)N1CC2CCC1CC2 527a_100000750499_100000210414 [0,1,0,1,0,0|1,0,1]=4 1998 B13R2.1153 CNC(=O)N1CC2CCC1CC2 2708a_100102657272_100000750499 [0,1,0,1,0,0|1,0,1]=4 1999 B13R2.1153 CNC(=O)N1CC2CCC1CC2 273464a_100102657272_100000750499 [0,1,0,1,0,0|1,0,1]=4 2000 B13R2.1153 O=C(CO)N1CC2CCC1CC2 240690a_100000750499_100000210174 [0,1,0,1,0,0|1,0,1]=4 2001 B13R2.1153 O=C(CO)N1CC2CCC1CC2 527a_100000750499_100000210174 [0,1,0,1,0,0|1,0,1]=4 2002 B9R0.1 C#CC(=O)CCCC(=O)C 1458a_100000211873_100011215641 [0,0,1,0,1,0|0,0,2]=4 2003 B9R0.1 C#CC(=O)CCNC(=O)C 1458a_100000211873_100000189650 [0,0,1,0,1,0|0,0,2]=4 2004 B9R0.1 C=C(C)COCC(=O)CC 34a_100000725409_100000748629 [0,0,1,0,1,0|2,0,0]=4 2005 B9R0.1 C=C(C)CSCC(=O)CC 62a_100000747405_100000211660 [0,0,1,0,1,0|2,0,0]=4 2006 B9R0.1 C=C(C)CSCC(=O)CC 62a_100000748629_100000747405 [0,0,1,0,1,0|2,0,0]=4 2007 B9R0.1 C=CC(=O)CCCC(=O)C 1458a_100000185746_100011215641 [0,0,1,0,1,0|0,0,2]=4 2008 B9R0.1 C=CC(=O)CCNC(=O)C 1458a_100000185746_100000189650 [0,0,1,0,1,0|0,0,2]=4 2009 B9R0.1 CC(=O)CCCC(=O)CO 1458a_100000210174_100011215641 [0,0,1,0,1,0|1,0,0]=3 2010 B9R0.1 CC(=O)NCCC(=O)CF 1458a_100000183196_100015361967 [0,0,1,0,1,0|1,0,0]=3 2011 B9R0.1 CC(=O)NCCC(=O)CO 1458a_100000210174_100000189650 [0,0,1,0,1,0|1,0,0]=3 2012 B9R0.1 CC(=O)OCCC(=O)CO 1458a_100000210174_100009814007 [0,0,1,0,1,0|2,0,0]=4 2013 B9R0.1 CC(=O)SCCC(=O)CF 1458a_100000048949_100015361967 [0,0,1,0,1,0|2,0,0]=4 2014 B9R0.1 CCC(=O)CCC=C(C)C 1458a_100000210414_100011217483 [0,0,1,0,1,0|1,0,1]=4 2015 B9R0.1 CCC(=O)CCCC(=O)C 1458a_100000210414_100011215641 [0,0,1,0,1,0|0,0,0]=2 2016 B9R0.1 CCC(=O)CCCC(=O)N 1458a_100000210414_100102525003 [0,0,1,0,1,0|1,0,0]=3 2017 B9R0.1 CCC(=O)CCCC(C)C 1458a_100000210414_100011214892 [0,0,1,0,1,0|1,0,1]=4 2018 B9R0.1 CCC(=O)CCCC(C)C 1458a_100011216857_100000210202 [0,0,1,0,1,0|1,0,1]=4 2019 B9R0.1 CCC(=O)CCCC(C)O 1458a_100000210414_200000718107 [0,0,1,0,1,0|0,0,2]=4 2020 B9R0.1 CCC(=O)CCCN(C)C 1458a_100000210414_100000695564 [0,0,1,0,1,0|2,0,0]=4 2021 B9R0.1 CCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000210202 [0,0,1,0,1,0|2,0,0]=4 2022 B9R0.1 CCC(=O)CCNC(=O)C 1458a_100000183196_100000210202 [0,0,1,0,1,0|0,0,0]=2 2023 B9R0.1 CCC(=O)CCNC(=O)C 1458a_100000210414_100000189650 [0,0,1,0,1,0|0,0,0]=2 2024 B9R0.1 CCC(=O)CCNC(=O)N 1458a_100000181464_100000210202 [0,0,1,0,1,0|1,0,0]=3 2025 B9R0.1 CCC(=O)CCNC(=O)N 1458a_100000210414_200000034859 [0,0,1,0,1,0|1,0,0]=3 2026 B9R0.1 CCC(=O)CCOC(=O)C 1458a_100000210414_100009814007 [0,0,1,0,1,0|1,0,0]=3 2027 B9R0.1 CCC(=O)CCOC(=O)N 1458a_100000210414_200011214921 [0,0,1,0,1,0|2,0,0]=4 2028 B9R0.1 CCC(=O)CCSC(=O)C 1458a_100000048949_100000210202 [0,0,1,0,1,0|1,0,0]=3 2029 B9R0.1 CCC(=O)CNCC(=O)O 269956a_100016091260_100000747405 [0,0,1,0,1,0|2,0,0]=4 2030 B9R0.1 CCC(=O)COCC(=O)N 1458a_100011219004_100000210202 [0,0,1,0,1,0|2,0,0]=4 2031 B9R0.1 CCC(=O)COCC(=O)N 34a_100000725409_100000187820 [0,0,1,0,1,0|2,0,0]=4 2032 B9R0.1 CCC(=O)COCC(=O)[O-] 34a_100000725409_100020667443 [0,0,1,0,1,0|2,0,0]=4 2033 B9R0.1 CCC(=O)CSCC(=O)N 62a_100000747405_100000747473 [0,0,1,0,1,0|2,0,0]=4 2034 B9R0.1 CCC(=O)CSCC(=O)N 62a_100000747473_100000747405 [0,0,1,0,1,0|2,0,0]=4 2035 B9R0.1 CCC(=O)CSCC(=O)[O-] 62a_100000747405_100020667443 [0,0,1,0,1,0|2,0,0]=4 2036 B9R0.1 CCC(=O)CSCC(=O)[O-] 62a_100020667443_100000747405 [0,0,1,0,1,0|2,0,0]=4 2037 B9R0.1 CCC(=O)NCCC(=O)N 11a_100000740010_100000210414 [0,0,1,0,1,0|2,0,0]=4 2038 B9R0.1 CCC(=O)NCCC(=O)N 240690a_100000740010_100000210414 [0,0,1,0,1,0|2,0,0]=4 2039 B9R0.1 CCC(=O)NCCC(=O)N 527a_100000740010_100000210414 [0,0,1,0,1,0|2,0,0]=4 2040 B9R0.1 CCC(C)CCNC(=O)C 11a_100020591266_100015343762 [0,0,1,0,1,0|1,0,1]=4 2041 B9R0.1 CCC(C)CCNC(=O)C 1626a_100020591266_100015343762 [0,0,1,0,1,0|1,0,1]=4 2042 B9R0.1 CCC(C)CCNC(=O)C 240690a_100020591266_100015343762 [0,0,1,0,1,0|1,0,1]=4 2043 B9R0.1 CCC(C)CCNC(=O)C 527a_100020591266_100103153847 [0,0,1,0,1,0|1,0,1]=4 2044 B9R0.1 CCN(C)CCCC(=O)C 1458a_100000070787_100015186262 [0,0,1,0,1,0|2,0,0]=4 2045 B9R0.1 CCN(C)CCCC(=O)C 269982a_100000225621_100011215641 [0,0,1,0,1,0|2,0,0]=4 2046 B9R0.1 CCN(C)CCNC(=O)C 2230a_100000225621_100000189650 [0,0,1,0,1,0|2,0,0]=4 2047 B9R0.1 CCN(C)CCNC(=O)C 269982a_100000225621_100000189650 [0,0,1,0,1,0|2,0,0]=4 2048 B9R0.1 CNC(=O)CCCC(=O)C 1458a_100000070787_100000741757 [0,0,1,0,1,0|1,0,0]=3 2049 B9R0.1 CNC(=O)CCNC(=O)C 11a_100000738227_100015343762 [0,0,1,0,1,0|1,0,0]=3 2050 B9R0.1 CNC(=O)CCNC(=O)C 11a_106832991635_100000183196 [0,0,1,0,1,0|1,0,0]=3 2051 B9R0.1 CNC(=O)CCNC(=O)C 1626a_100102657272_100000183196 [0,0,1,0,1,0|1,0,0]=3 2052 B9R0.1 CNC(=O)CCNC(=O)C 240690a_100000738227_100015343762 [0,0,1,0,1,0|1,0,0]=3 2053 B9R0.1 CNC(=O)CCNC(=O)C 240690a_100102657272_100000183196 [0,0,1,0,1,0|1,0,0]=3 2054 B9R0.1 CNC(=O)CCNC(=O)C 527a_100000738227_100103153847 [0,0,1,0,1,0|1,0,0]=3 2055 B9R0.1 CNC(=O)CCNC(=O)C 527a_100102657272_100000183196 [0,0,1,0,1,0|1,0,0]=3 2056 B9R0.1 CNC(=O)CCNC(=O)N 240690a_100102657272_100000181464 [0,0,1,0,1,0|2,0,0]=4 2057 B9R0.1 CNC(=O)CCNC(=O)N 527a_100102657272_100000181464 [0,0,1,0,1,0|2,0,0]=4 2058 B9R0.1 CNC(=O)CCSC(=O)C 1626a_100102657272_100000048949 [0,0,1,0,1,0|2,0,0]=4 2059 B9R0.1 CNC(=O)CCSC(=O)C 240690a_100102657272_100000048949 [0,0,1,0,1,0|2,0,0]=4 2060 B9R0.1 CNC(=O)COCC(=O)C 34a_100000211253_100000183359 [0,0,1,0,1,0|2,0,0]=4 2061 B9R0.1 CNC(=O)OCCC(=O)C 1458a_100000070787_200011997002 [0,0,1,0,1,0|2,0,0]=4 2062 B9R0.1 COC(=O)CCCC(=O)C 1458a_100000070787_100011218270 [0,0,1,0,1,0|1,0,0]=3 2063 B9R0.1 COC(=O)CCCC(=O)C 1458a_100000239890_200000210301 [0,0,1,0,1,0|1,0,0]=3 2064 B9R0.1 COC(=O)CCCC(=O)[13CH3] 1458a_100000239890_200025704644 [0,0,1,0,1,0|1,0,0]=3 2065 B9R0.1 COC(=O)CCNC(=O)C 188690a_100000683876_100015343762 [0,0,1,0,1,0|1,0,0]=3 2066 B9R0.1 COC(=O)COCC(=O)C 34a_100000211253_100000747449 [0,0,1,0,1,0|2,0,0]=4 2067 B9R0.1 COC(=O)CSCC(=O)C 1458a_100000191316_200000210301 [0,0,1,0,1,0|2,0,0]=4 2068 B9R0.1 COC(=O)CSCC(=O)[13CH3] 1458a_100000191316_200025704644 [0,0,1,0,1,0|2,0,0]=4 2069 B9R0.1 NC(=O)CCCC(=O)CO 1458a_100000210174_100102525003 [0,0,1,0,1,0|2,0,0]=4 2070 B9R0.1 NC(=O)NCCC(=O)CF 1458a_100000181464_100015361967 [0,0,1,0,1,0|2,0,0]=4 2071 B9R0.1 NC(=O)NCCC(=O)CO 1458a_100000210174_200000034859 [0,0,1,0,1,0|2,0,0]=4 2072 B9R0.13 CCC(NCC=O)C(=O)N 2230a_100000733705_200015260668 [0,0,1,0,1,0|2,0,0]=4 2073 B9R0.13 CCC(NCC=O)C(=O)N 34a_100000733705_200009817547 [0,0,1,0,1,0|2,0,0]=4 2074 B9R0.13 CCC(SCC=O)C(=O)N 62a_100000750255_200015260668 [0,0,1,0,1,0|2,0,0]=4 2075 B9R0.13 CCC(SCC=O)C(=O)N 62a_200015260668_100000750255 [0,0,1,0,1,0|2,0,0]=4 2076 B9R0.13 CCCCC(CC)C(=O)C 1458a_100000070787_200011216223 [0,0,1,0,1,0|1,0,1]=4 2077 B9R0.13 CCCCC(CC)C(=O)C 1458a_100000211130_200000210301 [0,0,1,0,1,0|1,0,1]=4 2078 B9R0.13 CCCCC(CC)C(=O)[13CH3] 1458a_100000211130_200025704644 [0,0,1,0,1,0|1,0,1]=4 2079 B9R0.13 CC[C@@H](NCC=O)C(=O)O 269956a_100000747097_200015260668 [0,0,1,0,1,0|2,0,0]=4 2080 B9R0.7 C=C(C)COC(C)C(=O)C 34a_100000212229_100000748629 [0,0,1,0,1,0|2,0,0]=4 2081 B9R0.7 C=C(C)CSC(C)C(=O)C 62a_100000748629_100009814033 [0,0,1,0,1,0|2,0,0]=4 2082 B9R0.7 C=C(C)CSC(C)C(=O)C 62a_100009814033_100000211660 [0,0,1,0,1,0|2,0,0]=4 2083 B9R0.7 CC(=O)C(C)CCC(C)C 1458a_100000070787_100011261404 [0,0,1,0,1,0|1,0,1]=4 2084 B9R0.7 CC(=O)C(C)NCC(=O)N 2230a_100000711301_100009814033 [0,0,1,0,1,0|2,0,0]=4 2085 B9R0.7 CC(=O)C(C)NCC(=O)O 269956a_100016091260_100009814033 [0,0,1,0,1,0|2,0,0]=4 2086 B9R0.7 CC(=O)C(C)OCC(=O)N 34a_100000212229_100000187820 [0,0,1,0,1,0|2,0,0]=4 2087 B9R0.7 CC(=O)C(C)OCC(=O)[O-] 34a_100000212229_100020667443 [0,0,1,0,1,0|2,0,0]=4 2088 B9R0.7 CC(=O)C(C)SCC(=O)N 62a_100000747473_100009814033 [0,0,1,0,1,0|2,0,0]=4 2089 B9R0.7 CC(=O)C(C)SCC(=O)N 62a_100009814033_100000747473 [0,0,1,0,1,0|2,0,0]=4 2090 B9R0.7 CC(=O)C(C)SCC(=O)[O-] 62a_100009814033_100020667443 [0,0,1,0,1,0|2,0,0]=4 2091 B9R0.7 CC(=O)C(C)SCC(=O)[O-] 62a_100020667443_100009814033 [0,0,1,0,1,0|2,0,0]=4 2092 B9R0.7 CC(=O)CCN(C)C(=O)C 1458a_100011216537_200000210301 [0,0,1,0,1,0|1,0,0]=3 2093 B9R0.7 CC(=O)COC(C)C(=O)N 34a_100000211253_100000702099 [0,0,1,0,1,0|2,0,0]=4 2094 B9R0.7 CC(=O)N(C)CCC(=O)N 11a_100000730477_100015343762 [0,0,1,0,1,0|2,0,0]=4 2095 B9R0.7 CC(=O)N(C)CCC(=O)N 240690a_100000730477_100015343762 [0,0,1,0,1,0|2,0,0]=4 2096 B9R0.7 CC(=O)N(C)CCC(=O)N 527a_100000730477_100103153847 [0,0,1,0,1,0|2,0,0]=4 2097 B9R0.7 CC(=O)N(C)CCC(=O)[13CH3] 1458a_100011216537_200025704644 [0,0,1,0,1,0|1,0,0]=3 2098 B9R0.7 CC(=O)SC[C@@H](C)C(=O)C 1458a_200015407212_200000210301 [0,0,1,0,1,0|1,0,0]=3 2099 B9R0.7 CC(=O)SC[C@@H](C)C(=O)[13CH3] 1458a_200015407212_200025704644 [0,0,1,0,1,0|1,0,0]=3 2100 B9R0.53 CC(=O)CC(=O)NC(=O)C 1458a_100000070787_100000183797 [0,0,1,0,1,0|1,0,1]=4 2101 B9R0.53 CC(=O)NC(C)CC(C)C 11a_100000692259_100015343762 [0,0,1,0,1,0|1,0,1]=4 2102 B9R0.53 CC(=O)NC(C)CC(C)C 1626a_100000692259_100015343762 [0,0,1,0,1,0|1,0,1]=4 2103 B9R0.53 CC(=O)NC(C)CC(C)C 240690a_100000692259_100015343762 [0,0,1,0,1,0|1,0,1]=4 2104 B9R0.53 CC(=O)NC(C)CC(C)C 527a_100000692259_100103153847 [0,0,1,0,1,0|1,0,1]=4 2105 B9R0.53 CC(=O)NC(C)CN(C)C 11a_100016992788_100015343762 [0,0,1,0,1,0|2,0,0]=4 2106 B9R0.53 CC(=O)NC(C)CN(C)C 240690a_100016992788_100015343762 [0,0,1,0,1,0|2,0,0]=4 2107 B9R0.53 CC(=O)NC(C)CN(C)C 527a_100016992788_100103153847 [0,0,1,0,1,0|2,0,0]=4 2108 B9R1.7 CCNC1CNC(=O)C1 2230a_100000697751_100000210202 [1,0,0,0,1,0|1,0,1]=4 2109 B9R1.7 CCOC1CCC(=O)C1 34a_100012614533_100000210202 [1,0,0,0,1,0|1,0,1]=4 2110 B9R1.6 CC(=O)C1CCCCC1 1458a_100000070787_100000210327 [1,0,0,0,1,0|0,0,1]=3 2111 B9R1.6 CC(=O)C1CCCCC1 1458a_100000210647_200000210301 [1,0,0,0,1,0|0,0,1]=3 2112 B9R1.6 CC(=O)C1CCCCO1 1458a_100000748299_200000210301 [1,0,0,0,1,0|1,0,1]=4 2113 B9R1.6 CC(=O)C1CCCOC1 1458a_100000070787_100000693364 [1,0,0,0,1,0|1,0,1]=4 2114 B9R1.6 CC(=O)C1CCCOC1 1458a_100000741522_200000210301 [1,0,0,0,1,0|1,0,1]=4 2115 B9R1.6 CC(=O)C1CCOCC1 1458a_100000070787_100011324220 [1,0,0,0,1,0|1,0,0]=3 2116 B9R1.6 CC(=O)C1CCOCC1 1458a_100000195482_200000210301 [1,0,0,0,1,0|1,0,0]=3 2117 B9R1.6 CC(=O)C1CCSCC1 1458a_100000755232_200000210301 [1,0,0,0,1,0|1,0,0]=3 2118 B9R1.6 CC(=O)N1CC=CCC1 11a_100000698166_100015343762 [1,0,0,0,1,0|1,0,1]=4 2119 B9R1.6 CC(=O)N1CC=CCC1 1626a_100000698166_100015343762 [1,0,0,0,1,0|1,0,1]=4 2120 B9R1.6 CC(=O)N1CC=CCC1 240690a_100000698166_100015343762 [1,0,0,0,1,0|1,0,1]=4 2121 B9R1.6 CC(=O)N1CC=CCC1 527a_100000698166_100103153847 [1,0,0,0,1,0|1,0,1]=4 2122 B9R1.6 CC(=O)N1CCOCC1 11a_100015191051_100015343762 [1,0,0,0,1,0|2,0,0]=4 2123 B9R1.6 CC(=O)N1CCOCC1 1626a_100015191051_100015343762 [1,0,0,0,1,0|2,0,0]=4 2124 B9R1.6 CC(=O)N1CCOCC1 240690a_100015191051_100015343762 [1,0,0,0,1,0|2,0,0]=4 2125 B9R1.6 CC(=O)N1CCOCC1 527a_100015191051_100103153847 [1,0,0,0,1,0|2,0,0]=4 2126 B9R1.6 CC(=O)N1CCSCC1 11a_100000737611_100015343762 [1,0,0,0,1,0|2,0,0]=4 2127 B9R1.6 CC(=O)N1CCSCC1 240690a_100000737611_100015343762 [1,0,0,0,1,0|2,0,0]=4 2128 B9R1.6 CC(=O)N1CCSCC1 527a_100000737611_100103153847 [1,0,0,0,1,0|2,0,0]=4 2129 B9R1.6 CC(=O)[C@H]1CC=CCC1 1458a_100009820709_200000210301 [1,0,0,0,1,0|0,0,1]=3 2130 B9R1.6 [13CH3]C(=O)C1CCCCC1 1458a_100000210647_200025704644 [1,0,0,0,1,0|0,0,1]=3 2131 B9R1.6 [13CH3]C(=O)C1CCCCO1 1458a_100000748299_200025704644 [1,0,0,0,1,0|1,0,1]=4 2132 B9R1.6 [13CH3]C(=O)C1CCCOC1 1458a_100000741522_200025704644 [1,0,0,0,1,0|1,0,1]=4 2133 B9R1.6 [13CH3]C(=O)C1CCOCC1 1458a_100000195482_200025704644 [1,0,0,0,1,0|1,0,0]=3 2134 B9R1.6 [13CH3]C(=O)C1CCSCC1 1458a_100000755232_200025704644 [1,0,0,0,1,0|1,0,0]=3 2135 B9R1.6 [13CH3]C(=O)[C@H]1CC=CCC1 1458a_100009820709_200025704644 [1,0,0,0,1,0|0,0,1]=3 2136 B9R1.13 CC(=O)C=C1CCCC1 1458a_100000743260_200000210301 [1,0,0,0,1,0|1,0,1]=4 2137 B9R1.13 CC(=O)CC1C=CCC1 1458a_100000212241_200000210301 [1,0,0,0,1,0|1,0,1]=4 2138 B9R1.13 CC(=O)CC1CC=CC1 1458a_200000137526_200000210301 [1,0,0,0,1,0|1,0,1]=4 2139 B9R1.13 CC(=O)CC1CCCC1 1458a_100000070787_100000740388 [1,0,0,0,1,0|1,0,0]=3 2140 B9R1.13 CC(=O)CC1CCCC1 1458a_100000210891_200000210301 [1,0,0,0,1,0|1,0,0]=3 2141 B9R1.13 CC(=O)CC1CCCO1 1458a_100000070787_100000203698 [1,0,0,0,1,0|2,0,0]=4 2142 B9R1.13 CC(=O)CC1CCOC1 1458a_100000070787_100000702531 [1,0,0,0,1,0|2,0,0]=4 2143 B9R1.13 CC(=O)CC1CCOC1 1458a_100011218419_200000210301 [1,0,0,0,1,0|2,0,0]=4 2144 B9R1.13 CC(=O)CN1CCCC1 1458a_100000740243_200000210301 [1,0,0,0,1,0|2,0,0]=4 2145 B9R1.13 CC(=O)NC1CC=CC1 11a_100015188752_100015343762 [1,0,0,0,1,0|0,0,1]=3 2146 B9R1.13 CC(=O)NC1CC=CC1 1626a_100015188752_100015343762 [1,0,0,0,1,0|0,0,1]=3 2147 B9R1.13 CC(=O)NC1CC=CC1 240690a_100015188752_100015343762 [1,0,0,0,1,0|0,0,1]=3 2148 B9R1.13 CC(=O)NC1CC=CC1 527a_100015188752_100103153847 [1,0,0,0,1,0|0,0,1]=3 2149 B9R1.13 CC(=O)NC1CCCC1 11a_100000211070_100015343762 [1,0,0,0,1,0|0,0,0]=2 2150 B9R1.13 CC(=O)NC1CCCC1 1626a_100000211070_100015343762 [1,0,0,0,1,0|0,0,0]=2 2151 B9R1.13 CC(=O)NC1CCCC1 240690a_100000211070_100015343762 [1,0,0,0,1,0|0,0,0]=2 2152 B9R1.13 CC(=O)NC1CCCC1 527a_100000211070_100103153847 [1,0,0,0,1,0|0,0,0]=2 2153 B9R1.13 CC(=O)N[C@@H]1CCOC1 240690a_200015188469_100015343762 [1,0,0,0,1,0|1,0,0]=3 2154 B9R1.13 CC(=O)N[C@@H]1CCOC1 527a_200015188469_100103153847 [1,0,0,0,1,0|1,0,0]=3 2155 B9R1.13 CC(=O)N[C@H]1CCOC1 11a_100015188467_100015343762 [1,0,0,0,1,0|1,0,0]=3 2156 B9R1.13 CC(=O)N[C@H]1CCOC1 1626a_100015188467_100015343762 [1,0,0,0,1,0|1,0,0]=3 2157 B9R1.13 CC(=O)N[C@H]1CCOC1 240690a_100015188467_100015343762 [1,0,0,0,1,0|1,0,0]=3 2158 B9R1.13 CC(=O)N[C@H]1CCOC1 527a_100015188467_100103153847 [1,0,0,0,1,0|1,0,0]=3 2159 B9R1.13 CC(C)NC1CCCC1 2230a_100000211070_100000210206 [1,0,0,0,1,0|1,0,1]=4 2160 B9R1.13 CC(C)NC1CCCC1 2230a_100138425928_100000179811 [1,0,0,0,1,0|1,0,1]=4 2161 B9R1.13 CC(C)NC1CCCC1 34a_100000211070_100000210206 [1,0,0,0,1,0|1,0,1]=4 2162 B9R1.13 CC(C)NC1CCCC1 34a_100138425928_100000179811 [1,0,0,0,1,0|1,0,1]=4 2163 B9R1.13 [13CH3]C(=O)C=C1CCCC1 1458a_100000743260_200025704644 [1,0,0,0,1,0|1,0,1]=4 2164 B9R1.13 [13CH3]C(=O)CC1C=CCC1 1458a_100000212241_200025704644 [1,0,0,0,1,0|1,0,1]=4 2165 B9R1.13 [13CH3]C(=O)CC1CC=CC1 1458a_200000137526_200025704644 [1,0,0,0,1,0|1,0,1]=4 2166 B9R1.13 [13CH3]C(=O)CC1CCCC1 1458a_100000210891_200025704644 [1,0,0,0,1,0|1,0,0]=3 2167 B9R1.13 [13CH3]C(=O)CC1CCOC1 1458a_100011218419_200025704644 [1,0,0,0,1,0|2,0,0]=4 2168 B9R1.13 [13CH3]C(=O)CN1CCCC1 1458a_100000740243_200025704644 [1,0,0,0,1,0|2,0,0]=4 2169 B9R1.35 CC(=O)C1CCC(=O)N1 1458a_100000210400_200000210301 [0,0,0,0,2,0|1,0,0]=3 2170 B9R1.35 CC(=O)C1CCC(C1)O 1458a_100000688591_200000210301 [0,0,0,0,2,0|0,0,2]=4 2171 B9R1.35 CC(=O)C1CCN(C1)C 1458a_100000739633_200000210301 [0,0,0,0,2,0|2,0,0]=4 2172 B9R1.35 CC(=O)C1CNC(=O)C1 1458a_100000747279_200000210301 [0,0,0,0,2,0|1,0,0]=3 2173 B9R1.35 CC(=O)C1CNC(=O)N1 1458a_100000033324_200000210301 [0,0,0,0,2,0|2,0,0]=4 2174 B9R1.35 CC(=O)N1CNC(=O)C1 11a_200000708111_100015343762 [0,0,0,0,2,0|2,0,0]=4 2175 B9R1.35 CC(=O)N1CNC(=O)C1 1626a_200000708111_100015343762 [0,0,0,0,2,0|2,0,0]=4 2176 B9R1.35 CC(=O)N1CNC(=O)C1 240690a_200000708111_100015343762 [0,0,0,0,2,0|2,0,0]=4 2177 B9R1.35 CC(=O)N1CNC(=O)C1 527a_200000708111_100103153847 [0,0,0,0,2,0|2,0,0]=4 2178 B9R1.35 CC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_200000210301 [0,0,0,0,2,0|1,0,0]=3 2179 B9R1.35 CC(=O)[C@@H]1CSC(=O)N1 1458a_100000735014_200000210301 [0,0,0,0,2,0|2,0,0]=4 2180 B9R1.35 CN1CCC(C1)C(=O)[13CH3] 1458a_100000739633_200025704644 [0,0,0,0,2,0|2,0,0]=4 2181 B9R1.35 [13CH3]C(=O)C1CCC(=O)N1 1458a_100000210400_200025704644 [0,0,0,0,2,0|1,0,0]=3 2182 B9R1.35 [13CH3]C(=O)C1CCC(C1)O 1458a_100000688591_200025704644 [0,0,0,0,2,0|0,0,2]=4 2183 B9R1.35 [13CH3]C(=O)C1CNC(=O)C1 1458a_100000747279_200025704644 [0,0,0,0,2,0|1,0,0]=3 2184 B9R1.35 [13CH3]C(=O)C1CNC(=O)N1 1458a_100000033324_200025704644 [0,0,0,0,2,0|2,0,0]=4 2185 B9R1.35 [13CH3]C(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_200025704644 [0,0,0,0,2,0|1,0,0]=3 2186 B9R1.35 [13CH3]C(=O)[C@@H]1CSC(=O)N1 1458a_100000735014_200025704644 [0,0,0,0,2,0|2,0,0]=4 2187 B9R1.53 C=C1CC(C1)NC(=O)C 11a_100132301982_100015343762 [0,0,0,0,2,0|1,0,0]=3 2188 B9R1.53 C=C1CC(C1)NC(=O)C 1626a_100132301982_100015343762 [0,0,0,0,2,0|1,0,0]=3 2189 B9R1.53 C=C1CC(C1)NC(=O)C 527a_100132301982_100103153847 [0,0,0,0,2,0|1,0,0]=3 2190 B9R1.53 CC(=O)CC1CC(=O)C1 1458a_100000070787_100009874392 [0,0,0,0,2,0|1,0,0]=3 2191 B9R1.53 CC(=O)NC1CC(C1)F 11a_100016993743_100015343762 [0,0,0,0,2,0|1,0,1]=4 2192 B9R1.53 CC(=O)NC1CC(C1)F 1626a_100016993743_100015343762 [0,0,0,0,2,0|1,0,1]=4 2193 B9R1.53 CC(=O)NC1CC(C1)F 240690a_100016993743_100015343762 [0,0,0,0,2,0|1,0,1]=4 2194 B9R1.53 CC(=O)NC1CC(C1)F 527a_100016993743_100103153847 [0,0,0,0,2,0|1,0,1]=4 2195 B9R1.53 CC(=O)NC1CN(C1)C 240690a_100015196640_100015343762 [0,0,0,0,2,0|2,0,0]=4 2196 B9R1.53 CC(=O)N[C@H]1C[C@@H](C1)O 11a_100020629032_100015343762 [0,0,0,0,2,0|0,0,2]=4 2197 B9R1.53 CC(=O)N[C@H]1C[C@@H](C1)O 1626a_100020629032_100015343762 [0,0,0,0,2,0|0,0,2]=4 2198 B9R1.53 CC(=O)N[C@H]1C[C@@H](C1)O 240690a_100020629032_100015343762 [0,0,0,0,2,0|0,0,2]=4 2199 B9R1.53 CC(=O)N[C@H]1C[C@@H](C1)O 527a_100020629032_100103153847 [0,0,0,0,2,0|0,0,2]=4 2200 B9R1.67 CC(C)NC1CCC1=O 34a_100138425928_100009892977 [0,0,0,0,2,0|1,0,1]=4 2201 B11R0.111 C=C(C)CNCCCC(=O)NC 2230a_100000740002_100000748629 [0,0,1,0,0,1|2,0,0]=4 2202 B11R0.111 C=C(C)CNCCCC(=O)NC 34a_100000740002_100000748629 [0,0,1,0,0,1|2,0,0]=4 2203 B11R0.111 C=C(C)CNCCNC(=O)CC 34a_100132302217_100000748629 [0,0,1,0,0,1|2,0,0]=4 2204 B11R0.111 C=CC(=O)NCCCNC(=O)C 240690a_100000736810_200121576911 [0,0,1,0,0,1|0,0,2]=4 2205 B11R0.111 CC(=O)NCCCNC(=O)CO 240690a_100000736810_100000210174 [0,0,1,0,0,1|1,0,0]=3 2206 B11R0.111 CC(=O)NCCCNC(=O)CO 527a_100000736810_100000210174 [0,0,1,0,0,1|1,0,0]=3 2207 B11R0.111 CC(=O)OCCCCC(=O)CO 1458a_100000210174_100000033659 [0,0,1,0,0,1|2,0,0]=4 2208 B11R0.111 CC(=O)SCCCCC(=O)CO 1458a_100000210174_200010402107 [0,0,1,0,0,1|2,0,0]=4 2209 B11R0.111 CCC(=O)CCCCCC(=O)N 1458a_100000210414_100009817443 [0,0,1,0,0,1|2,0,0]=4 2210 B11R0.111 CCC(=O)CCCCOC(=O)C 1458a_100000210414_100000033659 [0,0,1,0,0,1|1,0,0]=3 2211 B11R0.111 CCC(=O)CCCCSC(=O)C 1458a_100000210414_200010402107 [0,0,1,0,0,1|1,0,0]=3 2212 B11R0.111 CCC(=O)COCCC=C(C)C 34a_100000725409_100011217483 [0,0,1,0,0,1|2,0,0]=4 2213 B11R0.111 CCC(=O)COCCCC(=O)C 34a_100000725409_100000685027 [0,0,1,0,0,1|1,0,0]=3 2214 B11R0.111 CCC(=O)COCCCC(=O)C 7a_100000759063_100000747405 [0,0,1,0,0,1|1,0,0]=3 2215 B11R0.111 CCC(=O)COCCCC(=O)N 34a_100000725409_100102525003 [0,0,1,0,0,1|2,0,0]=4 2216 B11R0.111 CCC(=O)COCCOC(=O)C 34a_100000725409_100009814007 [0,0,1,0,0,1|1,0,0]=3 2217 B11R0.111 CCC(=O)COCCOC(=O)N 34a_100000725409_200011214921 [0,0,1,0,0,1|2,0,0]=4 2218 B11R0.111 CCC(=O)COCCOC(=O)N 7a_100000766696_100000747405 [0,0,1,0,0,1|2,0,0]=4 2219 B11R0.111 CCC(=O)CSCCC=C(C)C 62a_100000747405_100011217483 [0,0,1,0,0,1|2,0,0]=4 2220 B11R0.111 CCC(=O)CSCCC=C(C)C 62a_100011217483_100000747405 [0,0,1,0,0,1|2,0,0]=4 2221 B11R0.111 CCC(=O)CSCCCC(=O)C 62a_100000747405_100011215641 [0,0,1,0,0,1|1,0,0]=3 2222 B11R0.111 CCC(=O)CSCCCC(=O)C 62a_100011215641_100000747405 [0,0,1,0,0,1|1,0,0]=3 2223 B11R0.111 CCC(=O)CSCCCC(=O)N 62a_100000747405_100102525003 [0,0,1,0,0,1|2,0,0]=4 2224 B11R0.111 CCC(=O)CSCCCC(=O)N 62a_100102525003_100000747405 [0,0,1,0,0,1|2,0,0]=4 2225 B11R0.111 CCC(=O)CSCCNC(=O)C 62a_100000189650_100000747405 [0,0,1,0,0,1|0,0,0]=2 2226 B11R0.111 CCC(=O)CSCCNC(=O)C 62a_100000747405_100000189650 [0,0,1,0,0,1|0,0,0]=2 2227 B11R0.111 CCC(=O)CSCCNC(=O)N 62a_100000747405_200000034859 [0,0,1,0,0,1|1,0,0]=3 2228 B11R0.111 CCC(=O)CSCCNC(=O)N 62a_200000034859_100000747405 [0,0,1,0,0,1|1,0,0]=3 2229 B11R0.111 CCC(=O)CSCCOC(=O)C 62a_100000747405_100009814007 [0,0,1,0,0,1|1,0,0]=3 2230 B11R0.111 CCC(=O)CSCCOC(=O)C 62a_100009814007_100000747405 [0,0,1,0,0,1|1,0,0]=3 2231 B11R0.111 CCC(=O)CSCCOC(=O)N 62a_100000747405_200011214921 [0,0,1,0,0,1|2,0,0]=4 2232 B11R0.111 CCC(=O)CSCCOC(=O)N 62a_200011214921_100000747405 [0,0,1,0,0,1|2,0,0]=4 2233 B11R0.111 CCC(=O)NCCCCC(=O)N 11a_100000696515_100000210414 [0,0,1,0,0,1|2,0,0]=4 2234 B11R0.111 CCC(=O)NCCCCC(=O)N 1626a_100000696515_100000210414 [0,0,1,0,0,1|2,0,0]=4 2235 B11R0.111 CCC(=O)NCCCCC(=O)N 240690a_100000696515_100000210414 [0,0,1,0,0,1|2,0,0]=4 2236 B11R0.111 CCC(=O)NCCCCC(=O)N 527a_100000696515_100000210414 [0,0,1,0,0,1|2,0,0]=4 2237 B11R0.111 CCC(=O)NCCCNC(=O)C 11a_100000736810_100000210414 [0,0,1,0,0,1|0,0,0]=2 2238 B11R0.111 CCC(=O)NCCCNC(=O)C 240690a_100000736810_100000210414 [0,0,1,0,0,1|0,0,0]=2 2239 B11R0.111 CCC(=O)NCCCNC(=O)C 527a_100000736810_100000210414 [0,0,1,0,0,1|0,0,0]=2 2240 B11R0.111 CCC(=O)NCCNCC(=O)N 34a_100132302217_100000187820 [0,0,1,0,0,1|2,0,0]=4 2241 B11R0.111 CCC(=O)NCCNCC(=O)[O-] 34a_100132302217_100020667443 [0,0,1,0,0,1|2,0,0]=4 2242 B11R0.111 CCC(C)CNCCNC(=O)C 2230a_100000209853_100000748023 [0,0,1,0,0,1|1,0,1]=4 2243 B11R0.111 CCC(C)CNCCNC(=O)C 2230a_100020588543_100000189650 [0,0,1,0,0,1|1,0,1]=4 2244 B11R0.111 CCC(C)COCCNC(=O)C 34a_100000158858_100000748023 [0,0,1,0,0,1|1,0,1]=4 2245 B11R0.111 CCC(C)CSCCNC(=O)C 62a_100000189650_100000748023 [0,0,1,0,0,1|1,0,1]=4 2246 B11R0.111 CCC(C)CSCCNC(=O)C 62a_100000748023_100000189650 [0,0,1,0,0,1|1,0,1]=4 2247 B11R0.111 CCC(C)NCCCNC(=O)C 34a_100000736810_100011215416 [0,0,1,0,0,1|1,0,1]=4 2248 B11R0.111 CCC(C)OCCCNC(=O)C 34a_100000752032_100011215416 [0,0,1,0,0,1|1,0,1]=4 2249 B11R0.111 CCC(O)CNCCNC(=O)C 2230a_100000209853_100011218378 [0,0,1,0,0,1|0,0,2]=4 2250 B11R0.111 CCC(O)CNCCNC(=O)C 2230a_100011218483_100000189650 [0,0,1,0,0,1|0,0,2]=4 2251 B11R0.111 CCC(O)COCCNC(=O)C 34a_100000158858_100011218378 [0,0,1,0,0,1|0,0,2]=4 2252 B11R0.111 CCC(O)CSCCNC(=O)C 62a_100000189650_100011218378 [0,0,1,0,0,1|0,0,2]=4 2253 B11R0.111 CCC(O)CSCCNC(=O)C 62a_100011218378_100000189650 [0,0,1,0,0,1|0,0,2]=4 2254 B11R0.111 CC[C@H](C)CNCCNC(=O)C 2230a_100000209853_100009816398 [0,0,1,0,0,1|1,0,1]=4 2255 B11R0.111 CC[C@H](C)COCCNC(=O)C 34a_100000158858_100009816398 [0,0,1,0,0,1|1,0,1]=4 2256 B11R0.111 CC[C@H](C)COCCNC(=O)C 7a_100009816381_100000189650 [0,0,1,0,0,1|1,0,1]=4 2257 B11R0.111 CC[C@H](C)CSCCNC(=O)C 62a_100000189650_100009816398 [0,0,1,0,0,1|1,0,1]=4 2258 B11R0.111 CC[C@H](C)CSCCNC(=O)C 62a_100009816398_100000189650 [0,0,1,0,0,1|1,0,1]=4 2259 B11R0.111 CNC(=O)CCCNCC(=O)N 2230a_100000711301_100000741757 [0,0,1,0,0,1|2,0,0]=4 2260 B11R0.111 CNC(=O)CCCNCC(=O)N 2230a_100000740002_100000747473 [0,0,1,0,0,1|2,0,0]=4 2261 B11R0.111 CNC(=O)CCCNCC(=O)N 34a_100000740002_100000187820 [0,0,1,0,0,1|2,0,0]=4 2262 B11R0.111 CNC(=O)CCCNCC(=O)O 269956a_100016091260_100000741757 [0,0,1,0,0,1|2,0,0]=4 2263 B11R0.111 CNC(=O)CCCNCC(=O)[O-] 34a_100000740002_100020667443 [0,0,1,0,0,1|2,0,0]=4 2264 B11R0.111 CNC(=O)CCCOCC(=O)C 34a_100000211253_100000741757 [0,0,1,0,0,1|2,0,0]=4 2265 B11R0.111 CNC(=O)CCNCOC(=O)C 34a_100000738227_100009813279 [0,0,1,0,0,1|2,0,0]=4 2266 B11R0.111 CNC(=O)CCOCCC(=O)C 34a_100000759926_100012179268 [0,0,1,0,0,1|2,0,0]=4 2267 B11R0.111 CNC(=O)CCOCCC(=O)C 7a_100000759926_100000737683 [0,0,1,0,0,1|2,0,0]=4 2268 B11R0.111 CNC(=O)CCOCOC(=O)C 34a_100000754576_100009813279 [0,0,1,0,0,1|2,0,0]=4 2269 B11R0.111 CNC(=O)CCSCCC(=O)C 62a_100000053229_100000737683 [0,0,1,0,0,1|2,0,0]=4 2270 B11R0.111 CNC(=O)CCSCCC(=O)C 62a_100000737683_100000053229 [0,0,1,0,0,1|2,0,0]=4 2271 B11R0.111 CNC(=O)CCSCOC(=O)C 62a_100000076356_100000737683 [0,0,1,0,0,1|2,0,0]=4 2272 B11R0.111 CNC(=O)CCSCOC(=O)C 62a_100000737683_100000076356 [0,0,1,0,0,1|2,0,0]=4 2273 B11R0.111 CNC(=O)CNCCNC(=O)C 2230a_100000209853_100000183359 [0,0,1,0,0,1|1,0,0]=3 2274 B11R0.111 CNC(=O)CNCCNC(=O)C 2230a_100000693194_100000189650 [0,0,1,0,0,1|1,0,0]=3 2275 B11R0.111 CNC(=O)CNCCNC(=O)N 2230a_100000693194_200000034859 [0,0,1,0,0,1|2,0,0]=4 2276 B11R0.111 CNC(=O)CNCCNC(=O)N 34a_100020590234_100000183359 [0,0,1,0,0,1|2,0,0]=4 2277 B11R0.111 CNC(=O)COCCCC(=O)C 34a_100000750040_100000685027 [0,0,1,0,0,1|2,0,0]=4 2278 B11R0.111 CNC(=O)COCCCC(=O)C 34a_100000759063_100000183359 [0,0,1,0,0,1|2,0,0]=4 2279 B11R0.111 CNC(=O)COCCCC(=O)C 7a_100000759063_100000183359 [0,0,1,0,0,1|2,0,0]=4 2280 B11R0.111 CNC(=O)COCCNC(=O)C 34a_100000158858_100000183359 [0,0,1,0,0,1|1,0,0]=3 2281 B11R0.111 CNC(=O)COCCNC(=O)N 34a_100000181757_100000183359 [0,0,1,0,0,1|2,0,0]=4 2282 B11R0.111 CNC(=O)COCCOC(=O)C 34a_100000750040_100009814007 [0,0,1,0,0,1|2,0,0]=4 2283 B11R0.111 CNC(=O)CSCCCC(=O)C 62a_100000183359_100011215641 [0,0,1,0,0,1|2,0,0]=4 2284 B11R0.111 CNC(=O)CSCCCC(=O)C 62a_100011215641_100000183359 [0,0,1,0,0,1|2,0,0]=4 2285 B11R0.111 CNC(=O)CSCCNC(=O)C 62a_100000183359_100000189650 [0,0,1,0,0,1|1,0,0]=3 2286 B11R0.111 CNC(=O)CSCCNC(=O)C 62a_100000189650_100000183359 [0,0,1,0,0,1|1,0,0]=3 2287 B11R0.111 CNC(=O)CSCCNC(=O)N 62a_100000183359_200000034859 [0,0,1,0,0,1|2,0,0]=4 2288 B11R0.111 CNC(=O)CSCCNC(=O)N 62a_200000034859_100000183359 [0,0,1,0,0,1|2,0,0]=4 2289 B11R0.111 CNC(=O)CSCCOC(=O)C 62a_100000183359_100009814007 [0,0,1,0,0,1|2,0,0]=4 2290 B11R0.111 CNC(=O)CSCCOC(=O)C 62a_100009814007_100000183359 [0,0,1,0,0,1|2,0,0]=4 2291 B11R0.111 CNC(=O)NCCCNC(=O)C 2708a_100000736810_106832991635 [0,0,1,0,0,1|1,0,0]=3 2292 B11R0.111 CNC(=O)NCCCNC(=O)C 2708a_100102657272_100000736810 [0,0,1,0,0,1|1,0,0]=3 2293 B11R0.111 CNC(=O)NCCCNC(=O)C 273464a_100000736810_100102657272 [0,0,1,0,0,1|1,0,0]=3 2294 B11R0.111 CNC(=O)NCCCNC(=O)C 273464a_100102657272_100000736810 [0,0,1,0,0,1|1,0,0]=3 2295 B11R0.111 CNC(=O)NCCCNC(=O)C 512a_100000736810_100102657272 [0,0,1,0,0,1|1,0,0]=3 2296 B11R0.111 CNC(=O)NCCCNC(=O)C 512a_106832991638_100000736810 [0,0,1,0,0,1|1,0,0]=3 2297 B11R0.111 COC(=O)CCC=NNC(=O)C 4a_100000189765_100012047195 [0,0,1,0,0,1|1,0,1]=4 2298 B11R0.111 COC(=O)CCCCCC(=O)C 1458a_100000070787_100009816466 [0,0,1,0,0,1|2,0,0]=4 2299 B11R0.111 COC(=O)CCCCCC(=O)C 1458a_100009848860_200000210301 [0,0,1,0,0,1|2,0,0]=4 2300 B11R0.111 COC(=O)CCCCCC(=O)[13CH3] 1458a_100009848860_200025704644 [0,0,1,0,0,1|2,0,0]=4 2301 B11R0.111 COC(=O)CCCCNC(=O)C 188690a_100000746077_100015343762 [0,0,1,0,0,1|1,0,0]=3 2302 B11R0.111 COC(=O)CCCNCC(=O)N 2230a_100000711301_100011218270 [0,0,1,0,0,1|2,0,0]=4 2303 B11R0.111 COC(=O)CCCNCC(=O)O 269956a_100016091260_100011218270 [0,0,1,0,0,1|2,0,0]=4 2304 B11R0.111 COC(=O)CCCOCC(=O)C 34a_100000211253_100000742333 [0,0,1,0,0,1|2,0,0]=4 2305 B11R0.111 COC(=O)CCOCCC(=O)C 34a_100000759926_100000742370 [0,0,1,0,0,1|2,0,0]=4 2306 B11R0.111 COC(=O)CCOCCC(=O)C 7a_100000759926_100000204255 [0,0,1,0,0,1|2,0,0]=4 2307 B11R0.111 COC(=O)CCSCCC(=O)C 62a_100000053229_100000204255 [0,0,1,0,0,1|2,0,0]=4 2308 B11R0.111 COC(=O)CCSCCC(=O)C 62a_100000204255_100000053229 [0,0,1,0,0,1|2,0,0]=4 2309 B11R0.111 COC(=O)CCSCOC(=O)C 62a_100000076356_100000204255 [0,0,1,0,0,1|2,0,0]=4 2310 B11R0.111 COC(=O)CCSCOC(=O)C 62a_100000204255_100000076356 [0,0,1,0,0,1|2,0,0]=4 2311 B11R0.111 COC(=O)CNCCNC(=O)C 2230a_100000209853_100000747449 [0,0,1,0,0,1|1,0,0]=3 2312 B11R0.111 COC(=O)CNCCNC(=O)N 34a_100020590234_100000747449 [0,0,1,0,0,1|2,0,0]=4 2313 B11R0.111 COC(=O)COCCCC(=O)C 34a_100000759063_100000747449 [0,0,1,0,0,1|2,0,0]=4 2314 B11R0.111 COC(=O)COCCCC(=O)C 7a_100000759063_100000747449 [0,0,1,0,0,1|2,0,0]=4 2315 B11R0.111 COC(=O)COCCNC(=O)C 34a_100000158858_100000747449 [0,0,1,0,0,1|1,0,0]=3 2316 B11R0.111 COC(=O)COCCNC(=O)N 34a_100000181757_100000747449 [0,0,1,0,0,1|2,0,0]=4 2317 B11R0.111 COC(=O)CSCCCC(=O)C 62a_100000747449_100011215641 [0,0,1,0,0,1|2,0,0]=4 2318 B11R0.111 COC(=O)CSCCCC(=O)C 62a_100011215641_100000747449 [0,0,1,0,0,1|2,0,0]=4 2319 B11R0.111 COC(=O)CSCCNC(=O)C 62a_100000189650_100000747449 [0,0,1,0,0,1|1,0,0]=3 2320 B11R0.111 COC(=O)CSCCNC(=O)C 62a_100000747449_100000189650 [0,0,1,0,0,1|1,0,0]=3 2321 B11R0.111 COC(=O)CSCCNC(=O)N 62a_100000747449_200000034859 [0,0,1,0,0,1|2,0,0]=4 2322 B11R0.111 COC(=O)CSCCNC(=O)N 62a_200000034859_100000747449 [0,0,1,0,0,1|2,0,0]=4 2323 B11R0.111 COC(=O)CSCCOC(=O)C 62a_100000747449_100009814007 [0,0,1,0,0,1|2,0,0]=4 2324 B11R0.111 COC(=O)CSCCOC(=O)C 62a_100009814007_100000747449 [0,0,1,0,0,1|2,0,0]=4 2325 B11R0.164 CCCCC(CC)CNC(=O)C 11a_100000209976_100015343762 [0,0,1,0,0,1|1,0,1]=4 2326 B11R0.164 CCCCC(CC)CNC(=O)C 1626a_100000209976_100015343762 [0,0,1,0,0,1|1,0,1]=4 2327 B11R0.164 CCCCC(CC)CNC(=O)C 240690a_100000209976_100015343762 [0,0,1,0,0,1|1,0,1]=4 2328 B11R0.164 CCCCC(CC)CNC(=O)C 527a_100000209976_100103153847 [0,0,1,0,0,1|1,0,1]=4 2329 B11R0.6 C=C(C)CCSC(C)OC(=O)C 62a_100000730704_100009818208 [0,0,1,0,0,1|2,0,0]=4 2330 B11R0.6 C=C(C)CCSC(C)OC(=O)C 62a_100009818208_100000730704 [0,0,1,0,0,1|2,0,0]=4 2331 B11R0.6 CC(=CCCC(C)CC(=O)[13CH3])C 1458a_100000043202_200025704644 [0,0,1,0,0,1|2,0,0]=4 2332 B11R0.6 CC(=O)CC(C)CCC=C(C)C 1458a_100000043202_200000210301 [0,0,1,0,0,1|2,0,0]=4 2333 B11R0.6 CC(=O)CCSC(C)OC(=O)C 62a_100000053229_100009818208 [0,0,1,0,0,1|1,0,0]=3 2334 B11R0.6 CC(=O)CCSC(C)OC(=O)C 62a_100009818208_100000053229 [0,0,1,0,0,1|1,0,0]=3 2335 B11R0.6 CC(=O)NC(C)CCCC(C)C 11a_100000210607_100015343762 [0,0,1,0,0,1|1,0,1]=4 2336 B11R0.6 CC(=O)NC(C)CCCC(C)C 1626a_100000210607_100015343762 [0,0,1,0,0,1|1,0,1]=4 2337 B11R0.6 CC(=O)NC(C)CCCC(C)C 240690a_100000210607_100015343762 [0,0,1,0,0,1|1,0,1]=4 2338 B11R0.6 CC(=O)NC(C)CCCC(C)C 527a_100000210607_100103153847 [0,0,1,0,0,1|1,0,1]=4 2339 B11R0.6 CC(=O)OC(C)SCCC(=O)N 62a_100000744528_100009818208 [0,0,1,0,0,1|2,0,0]=4 2340 B11R0.6 CC(=O)OC(C)SCCC(=O)N 62a_100009818208_100000744528 [0,0,1,0,0,1|2,0,0]=4 2341 B11R0.6 CC(=O)OCSC(C)OC(=O)C 62a_100000076356_100009818208 [0,0,1,0,0,1|2,0,0]=4 2342 B11R0.6 CC(=O)OCSC(C)OC(=O)C 62a_100009818208_100000076356 [0,0,1,0,0,1|2,0,0]=4 2343 B11R0.85 CC(=O)NN=C(C)COC(=O)C 4a_100000189765_100000000629 [0,0,1,0,0,1|1,0,1]=4 2344 B11R1.135 O=CCN1CCNC(=O)CC1 2230a_100000698595_200015260668 [1,0,0,0,0,1|2,0,0]=4 2345 B11R1.135 O=CCN1CCNC(=O)CC1 269982a_100000698595_200015260668 [1,0,0,0,0,1|2,0,0]=4 2346 B11R1.91 C=C(C)CNC1CCCCC1 2230a_100000182618_100000748629 [1,0,0,0,0,1|1,0,1]=4 2347 B11R1.91 C=C(C)CNC1CCCCC1 34a_100000182618_100000748629 [1,0,0,0,0,1|1,0,1]=4 2348 B11R1.91 C=C(C)CNC1CCOCC1 2230a_100000741149_100000748629 [1,0,0,0,0,1|2,0,0]=4 2349 B11R1.91 C=C(C)CNC1CCOCC1 34a_100000741149_100000748629 [1,0,0,0,0,1|2,0,0]=4 2350 B11R1.91 C=C(C)CNC1CCSCC1 2230a_100000748639_100000748629 [1,0,0,0,0,1|2,0,0]=4 2351 B11R1.91 C=C(C)CNC1CCSCC1 34a_100000748639_100000748629 [1,0,0,0,0,1|2,0,0]=4 2352 B11R1.91 CC(=O)C=CC1CCCCC1 1458a_100102566626_200000210301 [1,0,0,0,0,1|1,0,1]=4 2353 B11R1.91 CC(=O)CCC1CCCCC1 1458a_100000070787_100011273959 [1,0,0,0,0,1|1,0,1]=4 2354 B11R1.91 CC(=O)CCC1CCCCC1 1458a_100000211375_200000210301 [1,0,0,0,0,1|1,0,1]=4 2355 B11R1.91 CC(=O)CCC1CCOCC1 1458a_100000070787_100011934994 [1,0,0,0,0,1|2,0,0]=4 2356 B11R1.91 CC(=O)COC1CCCCC1 1458a_100000070787_100011935260 [1,0,0,0,0,1|1,0,1]=4 2357 B11R1.91 CC(=O)COC1CCCCC1 1458a_100011223303_200000210301 [1,0,0,0,0,1|1,0,1]=4 2358 B11R1.91 CC(=O)COC1CCCCC1 34a_100000211253_100000210327 [1,0,0,0,0,1|1,0,1]=4 2359 B11R1.91 CC(=O)COC1CCSCC1 34a_100000211253_100000069128 [1,0,0,0,0,1|2,0,0]=4 2360 B11R1.91 CC(=O)NCC1CCCCC1 11a_100000210473_100015343762 [1,0,0,0,0,1|0,0,1]=3 2361 B11R1.91 CC(=O)NCC1CCCCC1 1626a_100000210473_100015343762 [1,0,0,0,0,1|0,0,1]=3 2362 B11R1.91 CC(=O)NCC1CCCCC1 240690a_100000210473_100015343762 [1,0,0,0,0,1|0,0,1]=3 2363 B11R1.91 CC(=O)NCC1CCCCC1 527a_100000210473_100103153847 [1,0,0,0,0,1|0,0,1]=3 2364 B11R1.91 CC(=O)NCC1CCCCO1 11a_100000174945_100015343762 [1,0,0,0,0,1|1,0,1]=4 2365 B11R1.91 CC(=O)NCC1CCCCO1 1626a_100000174945_100015343762 [1,0,0,0,0,1|1,0,1]=4 2366 B11R1.91 CC(=O)NCC1CCCCO1 240690a_100000174945_100015343762 [1,0,0,0,0,1|1,0,1]=4 2367 B11R1.91 CC(=O)NCC1CCCCO1 527a_100000174945_100103153847 [1,0,0,0,0,1|1,0,1]=4 2368 B11R1.91 CC(=O)NCC1CCCOC1 11a_100000720124_100015343762 [1,0,0,0,0,1|1,0,1]=4 2369 B11R1.91 CC(=O)NCC1CCCOC1 1626a_100000720124_100015343762 [1,0,0,0,0,1|1,0,1]=4 2370 B11R1.91 CC(=O)NCC1CCCOC1 240690a_100000720124_100015343762 [1,0,0,0,0,1|1,0,1]=4 2371 B11R1.91 CC(=O)NCC1CCCOC1 527a_100000720124_100103153847 [1,0,0,0,0,1|1,0,1]=4 2372 B11R1.91 CC(=O)NCC1CCOCC1 11a_100000746373_100015343762 [1,0,0,0,0,1|1,0,0]=3 2373 B11R1.91 CC(=O)NCC1CCOCC1 1626a_100000746373_100015343762 [1,0,0,0,0,1|1,0,0]=3 2374 B11R1.91 CC(=O)NCC1CCOCC1 240690a_100000746373_100015343762 [1,0,0,0,0,1|1,0,0]=3 2375 B11R1.91 CC(=O)NCC1CCOCC1 527a_100000746373_100103153847 [1,0,0,0,0,1|1,0,0]=3 2376 B11R1.91 CC(=O)NCC1CCSCC1 11a_100015188806_100015343762 [1,0,0,0,0,1|1,0,0]=3 2377 B11R1.91 CC(=O)NCC1CCSCC1 240690a_100015188806_100015343762 [1,0,0,0,0,1|1,0,0]=3 2378 B11R1.91 CC(=O)NCC1CCSCC1 527a_100015188806_100103153847 [1,0,0,0,0,1|1,0,0]=3 2379 B11R1.91 CC(=O)NN=C1CCCCC1 4a_100000189765_100000210434 [1,0,0,0,0,1|0,0,2]=4 2380 B11R1.91 CC(=O)NN=C1CCOCC1 4a_100000189765_100011217826 [1,0,0,0,0,1|1,0,1]=4 2381 B11R1.91 CC(=O)NN=C1CCSCC1 4a_100000189765_100000203788 [1,0,0,0,0,1|1,0,1]=4 2382 B11R1.91 CC(=O)NNC1CCCCC1 22a_100000709804_100000070787 [1,0,0,0,0,1|0,0,1]=3 2383 B11R1.91 CC(=O)NNC1CCOCC1 22a_100000687383_100000070787 [1,0,0,0,0,1|1,0,0]=3 2384 B11R1.91 NC(=O)CNC1CCCCC1 2230a_100000182618_100000747473 [1,0,0,0,0,1|1,0,1]=4 2385 B11R1.91 NC(=O)CNC1CCCCC1 34a_100000182618_100000187820 [1,0,0,0,0,1|1,0,1]=4 2386 B11R1.91 NC(=O)CNC1CCOCC1 2230a_100000741149_100000747473 [1,0,0,0,0,1|2,0,0]=4 2387 B11R1.91 NC(=O)CNC1CCOCC1 34a_100000741149_100000187820 [1,0,0,0,0,1|2,0,0]=4 2388 B11R1.91 NC(=O)CNC1CCSCC1 2230a_100000748639_100000747473 [1,0,0,0,0,1|2,0,0]=4 2389 B11R1.91 NC(=O)CNC1CCSCC1 34a_100000748639_100000187820 [1,0,0,0,0,1|2,0,0]=4 2390 B11R1.91 O=C(O)CNC1CCCCC1 269956a_100016091260_100000210327 [1,0,0,0,0,1|1,0,1]=4 2391 B11R1.91 O=C(O)CNC1CCOCC1 269956a_100016091260_100011324220 [1,0,0,0,0,1|2,0,0]=4 2392 B11R1.91 O=C(O)CNC1CCSCC1 269956a_100016091260_100000069128 [1,0,0,0,0,1|2,0,0]=4 2393 B11R1.91 O=C([O-])CNC1CCCCC1 34a_100000182618_100020667443 [1,0,0,0,0,1|1,0,1]=4 2394 B11R1.91 O=C([O-])CNC1CCOCC1 34a_100000741149_100020667443 [1,0,0,0,0,1|2,0,0]=4 2395 B11R1.91 O=C([O-])CNC1CCSCC1 34a_100000748639_100020667443 [1,0,0,0,0,1|2,0,0]=4 2396 B11R1.91 [13CH3]C(=O)C=CC1CCCCC1 1458a_100102566626_200025704644 [1,0,0,0,0,1|1,0,1]=4 2397 B11R1.91 [13CH3]C(=O)CCC1CCCCC1 1458a_100000211375_200025704644 [1,0,0,0,0,1|1,0,1]=4 2398 B11R1.91 [13CH3]C(=O)COC1CCCCC1 1458a_100011223303_200025704644 [1,0,0,0,0,1|1,0,1]=4 2399 B13R1.513 C=C(C)CCNC1CCC(=O)NC1 2230a_100000748762_100000730704 [0,0,0,0,0,2|2,0,0]=4 2400 B13R1.513 C=C(C)CCNC1CCC(=O)NC1 34a_100000748762_100000730704 [0,0,0,0,0,2|2,0,0]=4 2401 B13R1.513 C=C(C)CCOC1CCC(=O)CC1 34a_100000764474_100000730704 [0,0,0,0,0,2|2,0,0]=4 2402 B13R1.513 C=C(C)CCOC1CCC(=O)CC1 7a_100000764474_100000730704 [0,0,0,0,0,2|2,0,0]=4 2403 B13R1.513 C=C(C)COCC1CCC(=O)CC1 34a_100000062911_100000748629 [0,0,0,0,0,2|2,0,0]=4 2404 B13R1.513 C=C1CCC(CC1)NCC=C(C)C 270004a_100000718196_100010272673 [0,0,0,0,0,2|2,0,0]=4 2405 B13R1.513 C=C1CCN(CC1)CCNC(=O)C 2230a_100000752442_100000189650 [0,0,0,0,0,2|2,0,0]=4 2406 B13R1.513 C=C1CCN(CC1)CCNC(=O)C 269982a_100000752442_100000189650 [0,0,0,0,0,2|2,0,0]=4 2407 B13R1.513 CC(=CCNC1CCC(=O)NC1)C 2230a_100000748762_100000761012 [0,0,0,0,0,2|2,0,0]=4 2408 B13R1.513 CC(=CCNC1CCC(=O)NC1)C 34a_100000748762_100000761012 [0,0,0,0,0,2|2,0,0]=4 2409 B13R1.513 CC(=CCOC1CCC(=O)CC1)C 34a_100000764474_100000761012 [0,0,0,0,0,2|2,0,0]=4 2410 B13R1.513 CC(=CCOC1CCC(=O)CC1)C 7a_100000764474_100000761012 [0,0,0,0,0,2|2,0,0]=4 2411 B13R1.513 CC(=O)CCOC1CCC(=O)CC1 7a_100000764474_100000053229 [0,0,0,0,0,2|1,0,0]=3 2412 B13R1.513 CC(=O)NCCC1CCC(CC1)O 1626a_200011935226_100015343762 [0,0,0,0,0,2|0,0,2]=4 2413 B13R1.513 CC(=O)NCCC1CCC(CC1)O 240690a_200011935226_100015343762 [0,0,0,0,0,2|0,0,2]=4 2414 B13R1.513 CC(=O)NCCC1CCC(CC1)O 527a_200011935226_100103153847 [0,0,0,0,0,2|0,0,2]=4 2415 B13R1.513 CC(=O)NCCC1CCN(CC1)C 1626a_100000748683_100015343762 [0,0,0,0,0,2|2,0,0]=4 2416 B13R1.513 CC(=O)NCCC1CCN(CC1)C 2230a_100011370063_200000210301 [0,0,0,0,0,2|2,0,0]=4 2417 B13R1.513 CC(=O)NCCC1CCN(CC1)C 240690a_100000748683_100015343762 [0,0,0,0,0,2|2,0,0]=4 2418 B13R1.513 CC(=O)NCCC1CCN(CC1)C 269982a_100011370063_200000210301 [0,0,0,0,0,2|2,0,0]=4 2419 B13R1.513 CC(=O)NCCC1CCN(CC1)C 34a_100011370063_200000210301 [0,0,0,0,0,2|2,0,0]=4 2420 B13R1.513 CC(=O)NCCC1CCN(CC1)C 527a_100000748683_100103153847 [0,0,0,0,0,2|2,0,0]=4 2421 B13R1.513 CC(=O)NCCC1CCN(CC1)[13CH3] 2230a_100011370063_200025704644 [0,0,0,0,0,2|2,0,0]=4 2422 B13R1.513 CC(=O)NCCC1CCN(CC1)[13CH3] 269982a_100011370063_200025704644 [0,0,0,0,0,2|2,0,0]=4 2423 B13R1.513 CC(=O)NCCC1CCN(CC1)[13CH3] 34a_100011370063_200025704644 [0,0,0,0,0,2|2,0,0]=4 2424 B13R1.513 CC(=O)NCCN1CCS(=O)CC1 2230a_100000752083_100000189650 [0,0,0,0,0,2|2,0,0]=4 2425 B13R1.513 CC(=O)NCCN1CCS(=O)CC1 269982a_100000752083_100000189650 [0,0,0,0,0,2|2,0,0]=4 2426 B13R1.513 CC(=O)OCNC1CCC(=O)NC1 34a_100000748762_100009813279 [0,0,0,0,0,2|1,0,0]=3 2427 B13R1.513 CC(=O)OCN[C@H]1CC[C@@H](CC1)C 34a_100020625639_100009813279 [0,0,0,0,0,2|1,0,1]=4 2428 B13R1.513 CC(=O)OCOC1CCC(=O)CC1 34a_100000764474_100009813279 [0,0,0,0,0,2|1,0,0]=3 2429 B13R1.513 CC(=O)OCOC1CCC(=O)NC1 34a_100000079199_100009813279 [0,0,0,0,0,2|2,0,0]=4 2430 B13R1.513 NC(=O)CCNC1CCC(=O)NC1 2230a_100000748762_100000744528 [0,0,0,0,0,2|2,0,0]=4 2431 B13R1.513 NC(=O)CCNC1CCC(=O)NC1 34a_100000748762_100000731001 [0,0,0,0,0,2|2,0,0]=4 2432 B13R1.513 NC(=O)CCOC1CCC(=O)CC1 34a_100000764474_100000731001 [0,0,0,0,0,2|2,0,0]=4 2433 B13R1.513 NC(=O)CCOC1CCC(=O)CC1 7a_100000764474_100000744528 [0,0,0,0,0,2|2,0,0]=4 2434 B13R1.513 NC(=O)COCC1CCC(=O)CC1 34a_100000062911_100000187820 [0,0,0,0,0,2|2,0,0]=4 2435 B13R1.513 O=C([O-])COCC1CCC(=O)CC1 34a_100000062911_100020667443 [0,0,0,0,0,2|2,0,0]=4 2436 B13R1.3796 CC(=O)CCN1CCNC(=O)CC1 269982a_100000698595_100000053229 [0,0,0,0,0,2|2,0,0]=4 2437 B13R1.3796 CC(=O)OCN1CCNC(=O)CC1 269982a_100000698595_100000076356 [0,0,0,0,0,2|2,0,0]=4