0 B7R0.6 C=C(C)CCC(=O)C 1458a_100000070787_100000730704 [0,0,0,0,0,0|1,0,2]=3 1 B7R0.6 C=C(C)CCC(=O)C 1458a_200000688413_200000210301 [0,0,0,0,0,0|1,0,2]=3 2 B7R0.6 C=C(C)CCC(=O)[13CH3] 1458a_200000688413_200025704644 [0,0,0,0,0,0|1,0,2]=3 3 B7R0.6 C=C(C)CCN(C)C 2230a_100102631434_100000730704 [0,0,0,0,0,0|3,0,1]=4 4 B7R0.6 C=C(C)CCN(C)C 269982a_100102631434_100000730704 [0,0,0,0,0,0|3,0,1]=4 5 B7R0.6 C=C(C)CNC(=O)C 11a_100000765925_100015343762 [0,0,0,0,0,0|2,0,2]=4 6 B7R0.6 C=C(C)CNC(=O)C 1626a_100000765925_100015343762 [0,0,0,0,0,0|2,0,2]=4 7 B7R0.6 C=C(C)CNC(=O)C 240690a_100000765925_100015343762 [0,0,0,0,0,0|2,0,2]=4 8 B7R0.6 C=C(C)CNC(=O)C 527a_100000765925_100103153847 [0,0,0,0,0,0|2,0,2]=4 9 B7R0.6 C=C(C)CNC(C)C 2230a_100138425928_100000748629 [0,0,0,0,0,0|3,0,1]=4 10 B7R0.6 C=C(C)CNC(C)C 34a_100138425928_100000748629 [0,0,0,0,0,0|3,0,1]=4 11 B7R0.6 C=C(C)COC(C)C 34a_100000210245_100000210206 [0,0,0,0,0,0|3,0,1]=4 12 B7R0.6 C=C(C)COC(C)C 34a_100000212225_100000748629 [0,0,0,0,0,0|3,0,1]=4 13 B7R0.6 C=C(C)CSC(C)C 62a_100000210206_100000211660 [0,0,0,0,0,0|3,0,1]=4 14 B7R0.6 C=C(C)CSC(C)C 62a_100000748629_100000210206 [0,0,0,0,0,0|3,0,1]=4 15 B7R0.6 C=C(F)CNC(C)C 2230a_100138425928_100009893438 [0,0,0,0,0,0|3,0,1]=4 16 B7R0.6 C=C(F)CNC(C)C 34a_100138425928_100009893438 [0,0,0,0,0,0|3,0,1]=4 17 B7R0.6 C=C(F)COC(C)C 34a_100000212225_100009893438 [0,0,0,0,0,0|3,0,1]=4 18 B7R0.6 C=C(F)COC(C)C 34a_200010262243_100000210206 [0,0,0,0,0,0|3,0,1]=4 19 B7R0.6 C=C(F)CSC(C)C 62a_100000042424_100000210206 [0,0,0,0,0,0|3,0,1]=4 20 B7R0.6 C=C(F)CSC(C)C 62a_100000210206_100000042424 [0,0,0,0,0,0|3,0,1]=4 21 B7R0.6 CC(=CCC(=O)[13CH3])C 1458a_100011220947_200025704644 [0,0,0,0,0,0|1,0,0]=1 22 B7R0.6 CC(=CCN(C)C)C 2230a_100102631434_100000761012 [0,0,0,0,0,0|3,0,0]=3 23 B7R0.6 CC(=CCN(C)C)C 269982a_100102631434_100000761012 [0,0,0,0,0,0|3,0,0]=3 24 B7R0.6 CC(=O)C=CC(C)C 1458a_100016268746_200000210301 [0,0,0,0,0,0|1,0,2]=3 25 B7R0.6 CC(=O)CC=C(C)C 1458a_100000070787_100000761012 [0,0,0,0,0,0|1,0,0]=1 26 B7R0.6 CC(=O)CC=C(C)C 1458a_100011220947_200000210301 [0,0,0,0,0,0|1,0,0]=1 27 B7R0.6 CC(=O)CCC(=O)N 1458a_100011215257_200000210301 [0,0,0,0,0,0|2,0,1]=3 28 B7R0.6 CC(=O)CCC(C)C 1458a_100000070787_100000210312 [0,0,0,0,0,0|1,0,2]=3 29 B7R0.6 CC(=O)CCC(C)C 1458a_100000181311_200000210301 [0,0,0,0,0,0|1,0,2]=3 30 B7R0.6 CC(=O)CCC(C)O 1458a_100000070787_100012276601 [0,0,0,0,0,0|2,0,2]=4 31 B7R0.6 CC(=O)CCN(C)C 269982a_100102631434_100000053229 [0,0,0,0,0,0|2,0,1]=3 32 B7R0.6 CC(=O)CC[N+](=O)[O-] 1458a_200000064761_200000210301 [0,0,0,0,0,0|2,0,2]=4 33 B7R0.6 CC(=O)CC[S+](C)C 1458a_100009452791_200000210301 [0,0,0,0,0,0|2,0,1]=3 34 B7R0.6 CC(=O)CNC(=O)C 1458a_100000194580_200000210301 [0,0,0,0,0,0|3,0,0]=3 35 B7R0.6 CC(=O)CNC(=O)N 1458a_100000184981_200000210301 [0,0,0,0,0,0|3,0,1]=4 36 B7R0.6 CC(=O)COC(=O)C 1458a_100000183556_200000210301 [0,0,0,0,0,0|3,0,0]=3 37 B7R0.6 CC(=O)COC(C)C 1458a_100000745533_200000210301 [0,0,0,0,0,0|2,0,1]=3 38 B7R0.6 CC(=O)COC(C)C 34a_100000211253_100000210206 [0,0,0,0,0,0|2,0,1]=3 39 B7R0.6 CC(=O)CSC(=O)C 1458a_100000049016_200000210301 [0,0,0,0,0,0|3,0,0]=3 40 B7R0.6 CC(=O)CSC(C)C 1458a_100000241585_200000210301 [0,0,0,0,0,0|2,0,1]=3 41 B7R0.6 CC(=O)NCC(=O)N 11a_100000711301_100015343762 [0,0,0,0,0,0|3,0,0]=3 42 B7R0.6 CC(=O)NCC(=O)N 240690a_100000711301_100015343762 [0,0,0,0,0,0|3,0,0]=3 43 B7R0.6 CC(=O)NCC(=O)N 527a_100000711301_100103153847 [0,0,0,0,0,0|3,0,0]=3 44 B7R0.6 CC(=O)NCC(=O)[13CH3] 1458a_100000194580_200025704644 [0,0,0,0,0,0|3,0,0]=3 45 B7R0.6 CC(=O)NCC(C)C 11a_100000210953_100015343762 [0,0,0,0,0,0|2,0,2]=4 46 B7R0.6 CC(=O)NCC(C)C 1626a_100000210953_100015343762 [0,0,0,0,0,0|2,0,2]=4 47 B7R0.6 CC(=O)NCC(C)C 240690a_100000210953_100015343762 [0,0,0,0,0,0|2,0,2]=4 48 B7R0.6 CC(=O)NCC(C)C 527a_100000210953_100103153847 [0,0,0,0,0,0|2,0,2]=4 49 B7R0.6 CC(=O)NCC(C)O 11a_100000210904_100015343762 [0,0,0,0,0,0|3,0,1]=4 50 B7R0.6 CC(=O)NCC(C)O 240690a_100000210904_100015343762 [0,0,0,0,0,0|3,0,1]=4 51 B7R0.6 CC(=O)NCC(C)O 527a_100000210904_100103153847 [0,0,0,0,0,0|3,0,1]=4 52 B7R0.6 CC(=O)NNC(=O)C 22a_100000189765_100000070787 [0,0,0,0,0,0|4,0,0]=4 53 B7R0.6 CC(=O)NNC(C)C 22a_100000741168_100000070787 [0,0,0,0,0,0|3,0,1]=4 54 B7R0.6 CC(=O)OCC(=O)[13CH3] 1458a_100000183556_200025704644 [0,0,0,0,0,0|3,0,0]=3 55 B7R0.6 CC(=O)OCN(C)C 269982a_100102631434_100000076356 [0,0,0,0,0,0|3,0,1]=4 56 B7R0.6 CC(=O)SCC(=O)[13CH3] 1458a_100000049016_200025704644 [0,0,0,0,0,0|3,0,0]=3 57 B7R0.6 CC(C)C=CC(=O)[13CH3] 1458a_100016268746_200025704644 [0,0,0,0,0,0|1,0,2]=3 58 B7R0.6 CC(C)CCC(=O)[13CH3] 1458a_100000181311_200025704644 [0,0,0,0,0,0|1,0,2]=3 59 B7R0.6 CC(C)NCC(=O)N 2230a_100000711301_100000210206 [0,0,0,0,0,0|2,0,1]=3 60 B7R0.6 CC(C)NCC(=O)N 2230a_100138425928_100000747473 [0,0,0,0,0,0|2,0,1]=3 61 B7R0.6 CC(C)NCC(=O)N 34a_100138425928_100000187820 [0,0,0,0,0,0|2,0,1]=3 62 B7R0.6 CC(C)NCC(=O)O 269956a_100016091260_100000210206 [0,0,0,0,0,0|1,0,1]=2 63 B7R0.6 CC(C)NCC(=O)[O-] 34a_100138425928_100020667443 [0,0,0,0,0,0|1,0,2]=3 64 B7R0.6 CC(C)NC[C@@H](C)O 2230a_100138425928_100009817552 [0,0,0,0,0,0|2,0,2]=4 65 B7R0.6 CC(C)NC[C@@H](C)O 34a_100138425928_100009817552 [0,0,0,0,0,0|2,0,2]=4 66 B7R0.6 CC(C)NC[N+](=O)[O-] 34a_100138425928_100000761209 [0,0,0,0,0,0|2,0,2]=4 67 B7R0.6 CC(C)OCC(=O)N 34a_100000212225_100000187820 [0,0,0,0,0,0|2,0,1]=3 68 B7R0.6 CC(C)OCC(=O)[13CH3] 1458a_100000745533_200025704644 [0,0,0,0,0,0|2,0,1]=3 69 B7R0.6 CC(C)OCC(=O)[O-] 34a_100000212225_100020667443 [0,0,0,0,0,0|1,0,2]=3 70 B7R0.6 CC(C)OC[C@@H](C)O 34a_100000212225_100009817552 [0,0,0,0,0,0|2,0,2]=4 71 B7R0.6 CC(C)OC[N+](=O)[O-] 34a_100000212225_100000761209 [0,0,0,0,0,0|2,0,2]=4 72 B7R0.6 CC(C)SCC(=O)N 62a_100000210206_100000747473 [0,0,0,0,0,0|2,0,1]=3 73 B7R0.6 CC(C)SCC(=O)N 62a_100000747473_100000210206 [0,0,0,0,0,0|2,0,1]=3 74 B7R0.6 CC(C)SCC(=O)[13CH3] 1458a_100000241585_200025704644 [0,0,0,0,0,0|2,0,1]=3 75 B7R0.6 CC(C)SCC(=O)[O-] 62a_100000210206_100020667443 [0,0,0,0,0,0|1,0,2]=3 76 B7R0.6 CC(C)SCC(=O)[O-] 62a_100020667443_100000210206 [0,0,0,0,0,0|1,0,2]=3 77 B7R0.6 CC(C)SC[C@@H](C)O 62a_100000210206_100009817552 [0,0,0,0,0,0|2,0,2]=4 78 B7R0.6 CC(C)SC[C@@H](C)O 62a_100009817552_100000210206 [0,0,0,0,0,0|2,0,2]=4 79 B7R0.6 CC(C)SC[N+](=O)[O-] 62a_100000210206_100000761209 [0,0,0,0,0,0|2,0,2]=4 80 B7R0.6 CC(O)CCN(C)C 2230a_100102631434_100012276601 [0,0,0,0,0,0|2,0,2]=4 81 B7R0.6 CC(O)CCN(C)C 269982a_100102631434_100012276601 [0,0,0,0,0,0|2,0,2]=4 82 B7R0.6 CC(O)CNC(C)C 2230a_100000210904_100000210206 [0,0,0,0,0,0|2,0,2]=4 83 B7R0.6 CC(O)CNC(C)C 2230a_100138425928_100011218427 [0,0,0,0,0,0|2,0,2]=4 84 B7R0.6 CC(O)CNC(C)C 34a_100000210904_100000210206 [0,0,0,0,0,0|2,0,2]=4 85 B7R0.6 CC(O)CNC(C)C 34a_100138425928_100011218427 [0,0,0,0,0,0|2,0,2]=4 86 B7R0.6 CC(O)COC(C)C 34a_100000212225_100011218427 [0,0,0,0,0,0|2,0,2]=4 87 B7R0.6 CC(O)CSC(C)C 62a_100000210206_100011218427 [0,0,0,0,0,0|2,0,2]=4 88 B7R0.6 CC(O)CSC(C)C 62a_100011218427_100000210206 [0,0,0,0,0,0|2,0,2]=4 89 B7R0.6 CN(C)CCC(=O)N 2230a_100000730477_200000210301 [0,0,0,0,0,0|2,0,1]=3 90 B7R0.6 CN(C)CCC(=O)N 2230a_100102631434_100000744528 [0,0,0,0,0,0|2,0,1]=3 91 B7R0.6 CN(C)CCC(=O)N 269982a_100102631434_100000744528 [0,0,0,0,0,0|2,0,1]=3 92 B7R0.6 CN([13CH3])CCC(=O)N 2230a_100000730477_200025704644 [0,0,0,0,0,0|2,0,1]=3 93 B7R0.6 C[S+](C)CCC(=O)[13CH3] 1458a_100009452791_200025704644 [0,0,0,0,0,0|2,0,1]=3 94 B7R0.6 [13CH3]C(=O)CCC(=O)N 1458a_100011215257_200025704644 [0,0,0,0,0,0|2,0,1]=3 95 B7R0.6 [13CH3]C(=O)CC[N+](=O)[O-] 1458a_200000064761_200025704644 [0,0,0,0,0,0|2,0,2]=4 96 B7R0.6 [13CH3]C(=O)CNC(=O)N 1458a_100000184981_200025704644 [0,0,0,0,0,0|3,0,1]=4 97 B6R0.4 C/C=C/CC(=O)C 1458a_100000070787_100102629194 [1,0,0,0,0,0|1,0,0]=2 98 B6R0.4 C/C=C/CN(C)C 269982a_100102631434_100102629194 [1,0,0,0,0,0|3,0,0]=4 99 B6R0.4 C=CC=CC(=O)C 1458a_100016291481_200000210301 [1,0,0,0,0,0|1,0,2]=4 100 B6R0.4 C=CC=CC(=O)[13CH3] 1458a_100016291481_200025704644 [1,0,0,0,0,0|1,0,2]=4 101 B6R0.4 C=CCCC(=O)C 1458a_100000070787_100000754431 [1,0,0,0,0,0|1,0,2]=4 102 B6R0.4 C=CCCC(=O)C 1458a_100000749702_200000210301 [1,0,0,0,0,0|1,0,2]=4 103 B6R0.4 C=CCCC(=O)[13CH3] 1458a_100000749702_200025704644 [1,0,0,0,0,0|1,0,2]=4 104 B6R0.4 C=CCCN(C)C 2230a_100020639649_200000210301 [1,0,0,0,0,0|2,0,1]=4 105 B6R0.4 C=CCCN(C)C 2230a_100102631434_100000754431 [1,0,0,0,0,0|2,0,1]=4 106 B6R0.4 C=CCCN(C)C 269982a_100020639649_200000210301 [1,0,0,0,0,0|2,0,1]=4 107 B6R0.4 C=CCCN(C)C 269982a_100102631434_100000754431 [1,0,0,0,0,0|2,0,1]=4 108 B6R0.4 C=CCCN(C)[13CH3] 2230a_100020639649_200025704644 [1,0,0,0,0,0|2,0,1]=4 109 B6R0.4 C=CCCN(C)[13CH3] 269982a_100020639649_200025704644 [1,0,0,0,0,0|2,0,1]=4 110 B6R0.4 C=CCNC(=O)C 1626a_100020586998_100015343762 [1,0,0,0,0,0|3,0,0]=4 111 B6R0.4 C=CCNC(=O)C 240690a_100020586998_100015343762 [1,0,0,0,0,0|3,0,0]=4 112 B6R0.4 C=CCNC(=O)C 527a_100020586998_100103153847 [1,0,0,0,0,0|3,0,0]=4 113 B6R0.4 C=CCNC(C)C 2230a_100020586998_100000210206 [1,0,0,0,0,0|2,0,1]=4 114 B6R0.4 C=CCNC(C)C 2230a_100138425928_100000210623 [1,0,0,0,0,0|2,0,1]=4 115 B6R0.4 C=CCNC(C)C 34a_100138425928_100015514636 [1,0,0,0,0,0|2,0,1]=4 116 B6R0.4 C=CCOC(C)C 34a_100000212225_100015514636 [1,0,0,0,0,0|2,0,1]=4 117 B6R0.4 C=CCOC(C)C 34a_200000210373_100000210206 [1,0,0,0,0,0|2,0,1]=4 118 B6R0.4 C=CCSC(C)C 62a_100000210206_100000210623 [1,0,0,0,0,0|2,0,1]=4 119 B6R0.4 C=CCSC(C)C 62a_100000210623_100000210206 [1,0,0,0,0,0|2,0,1]=4 120 B6R0.4 CC#CCC(=O)C 1458a_100000070787_100000748600 [1,0,0,0,0,0|1,0,2]=4 121 B6R0.4 CC(=CCN[13CH3])C 34a_100000718196_200025704644 [1,0,0,0,0,0|2,0,0]=3 122 B6R0.4 CC(=CCO[13CH3])C 34a_100000753907_200025704644 [1,0,0,0,0,0|2,0,0]=3 123 B6R0.4 CC(=CCS[13CH3])C 62a_100000761012_200025704644 [1,0,0,0,0,0|2,0,0]=3 124 B6R0.4 CC(=CCS[13CH3])C 62a_200025704644_100000761012 [1,0,0,0,0,0|2,0,0]=3 125 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [1,0,0,0,0,0|1,0,2]=4 126 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [1,0,0,0,0,0|2,0,1]=4 127 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [1,0,0,0,0,0|2,0,1]=4 128 B6R0.4 CC(=O)CCS[13CH3] 62a_100000053229_200025704644 [1,0,0,0,0,0|2,0,1]=4 129 B6R0.4 CC(=O)CCS[13CH3] 62a_200025704644_100000053229 [1,0,0,0,0,0|2,0,1]=4 130 B6R0.4 CC(=O)NCCO 240690a_100000210304_100015343762 [1,0,0,0,0,0|2,0,1]=4 131 B6R0.4 CC(=O)NCCO 527a_100000210304_100103153847 [1,0,0,0,0,0|2,0,1]=4 132 B6R0.4 CC(C)NCC=O 2230a_100138425928_200015260668 [1,0,0,0,0,0|1,0,1]=3 133 B6R0.4 CC(C)NCC=O 34a_100138425928_200009817547 [1,0,0,0,0,0|1,0,1]=3 134 B6R0.4 CC(C)NCCO 2230a_100016997473_100000210206 [1,0,0,0,0,0|1,0,2]=4 135 B6R0.4 CC(C)NCCO 2230a_100138425928_100000211926 [1,0,0,0,0,0|1,0,2]=4 136 B6R0.4 CC(C)NCCO 34a_100016990907_100000210206 [1,0,0,0,0,0|1,0,2]=4 137 B6R0.4 CC(C)NCCO 34a_100138425928_100000211926 [1,0,0,0,0,0|1,0,2]=4 138 B6R0.4 CC(C)OCC=O 34a_100000212225_200009817547 [1,0,0,0,0,0|1,0,1]=3 139 B6R0.4 CC(C)OCCO 34a_100000212225_100000211926 [1,0,0,0,0,0|1,0,2]=4 140 B6R0.4 CC(C)SCC=O 62a_100000210206_200015260668 [1,0,0,0,0,0|1,0,1]=3 141 B6R0.4 CC(C)SCC=O 62a_200015260668_100000210206 [1,0,0,0,0,0|1,0,1]=3 142 B6R0.4 CC(C)SCCO 62a_100000210206_100000211926 [1,0,0,0,0,0|1,0,2]=4 143 B6R0.4 CC(C)SCCO 62a_100000211926_100000210206 [1,0,0,0,0,0|1,0,2]=4 144 B6R0.4 CC=CCC(=O)C 1458a_100000070787_100000070051 [1,0,0,0,0,0|1,0,0]=2 145 B6R0.4 CC=CCC(=O)C 1458a_100121576822_200000210301 [1,0,0,0,0,0|1,0,0]=2 146 B6R0.4 CC=CCC(=O)[13CH3] 1458a_100121576822_200025704644 [1,0,0,0,0,0|1,0,0]=2 147 B6R0.4 CC=CCN(C)C 2230a_100102631434_100000070051 [1,0,0,0,0,0|3,0,0]=4 148 B6R0.4 CC=NNC(=O)C 4a_100000189765_200000210099 [1,0,0,0,0,0|3,0,0]=4 149 B6R0.4 CCC=CC(=O)C 1458a_100000212282_200000210301 [1,0,0,0,0,0|1,0,2]=4 150 B6R0.4 CCC=CC(=O)[13CH3] 1458a_100000212282_200025704644 [1,0,0,0,0,0|1,0,2]=4 151 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [1,0,0,0,0,0|1,0,2]=4 152 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [1,0,0,0,0,0|1,0,2]=4 153 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [1,0,0,0,0,0|1,0,2]=4 154 B6R0.4 CCNCC(=O)N 2230a_100000711301_100000210202 [1,0,0,0,0,0|2,0,1]=4 155 B6R0.4 CCNCC(=O)N 2230a_100015525214_100000747473 [1,0,0,0,0,0|2,0,1]=4 156 B6R0.4 CCNCC(=O)O 269956a_100016091260_100000210202 [1,0,0,0,0,0|1,0,1]=3 157 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [1,0,0,0,0,0|2,0,1]=4 158 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [1,0,0,0,0,0|2,0,1]=4 159 B6R0.4 CCOCC(=O)N 34a_100121572206_100000187820 [1,0,0,0,0,0|2,0,1]=4 160 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [1,0,0,0,0,0|2,0,1]=4 161 B6R0.4 CCOCC(=O)[O-] 34a_100121572206_100020667443 [1,0,0,0,0,0|1,0,2]=4 162 B6R0.4 CCSCC(=O)C 1458a_100000230394_200000210301 [1,0,0,0,0,0|2,0,1]=4 163 B6R0.4 CCSCC(=O)N 62a_100000210202_100000747473 [1,0,0,0,0,0|2,0,1]=4 164 B6R0.4 CCSCC(=O)N 62a_100000747473_100000210202 [1,0,0,0,0,0|2,0,1]=4 165 B6R0.4 CCSCC(=O)[13CH3] 1458a_100000230394_200025704644 [1,0,0,0,0,0|2,0,1]=4 166 B6R0.4 CCSCC(=O)[O-] 62a_100000210202_100020667443 [1,0,0,0,0,0|1,0,2]=4 167 B6R0.4 CCSCC(=O)[O-] 62a_100020667443_100000210202 [1,0,0,0,0,0|1,0,2]=4 168 B6R0.4 CN(C)CCCO 2230a_100000213112_200000210301 [1,0,0,0,0,0|1,0,2]=4 169 B6R0.4 CN(C)CCCO 2230a_100102631434_100000230001 [1,0,0,0,0,0|1,0,2]=4 170 B6R0.4 CN(C)CCCO 269982a_100000213112_200000210301 [1,0,0,0,0,0|1,0,2]=4 171 B6R0.4 CN(C)CCCO 269982a_100102631434_100011215043 [1,0,0,0,0,0|1,0,2]=4 172 B6R0.4 CN([13CH3])CCCO 2230a_100000213112_200025704644 [1,0,0,0,0,0|1,0,2]=4 173 B6R0.4 CN([13CH3])CCCO 269982a_100000213112_200025704644 [1,0,0,0,0,0|1,0,2]=4 174 B6R0.4 CNCC=C(C)C 2230a_106832991635_100000761012 [1,0,0,0,0,0|2,0,0]=3 175 B6R0.4 CNCC=C(C)C 34a_100000718196_200000210301 [1,0,0,0,0,0|2,0,0]=3 176 B6R0.4 CNCC=C(C)C 34a_100102657272_100000761012 [1,0,0,0,0,0|2,0,0]=3 177 B6R0.4 CNCC=C(C)C 7a_106832991635_100000761012 [1,0,0,0,0,0|2,0,0]=3 178 B6R0.4 CNCCC(=O)C 7a_106832991635_100000053229 [1,0,0,0,0,0|2,0,1]=4 179 B6R0.4 CNCCC(=O)N 2230a_106832991635_100000744528 [1,0,0,0,0,0|2,0,1]=4 180 B6R0.4 CNCCC(=O)N 34a_100102657272_100000731001 [1,0,0,0,0,0|2,0,1]=4 181 B6R0.4 CNCCC(=O)N 7a_106832991635_100000744528 [1,0,0,0,0,0|2,0,1]=4 182 B6R0.4 CNOCC(=O)O 269956a_100000106656_200000210301 [1,0,0,0,0,0|2,0,0]=3 183 B6R0.4 COC=CC(=O)C 1458a_100016268678_200000210301 [1,0,0,0,0,0|2,0,1]=4 184 B6R0.4 COC=CC(=O)[13CH3] 1458a_100016268678_200025704644 [1,0,0,0,0,0|2,0,1]=4 185 B6R0.4 COCC=C(C)C 34a_100000753907_200000210301 [1,0,0,0,0,0|2,0,0]=3 186 B6R0.4 COCC=C(C)C 34a_100138415774_100000761012 [1,0,0,0,0,0|2,0,0]=3 187 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [1,0,0,0,0,0|2,0,1]=4 188 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [1,0,0,0,0,0|2,0,1]=4 189 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [1,0,0,0,0,0|2,0,1]=4 190 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [1,0,0,0,0,0|2,0,1]=4 191 B6R0.4 COCCC(=O)N 34a_100000757172_200000210301 [1,0,0,0,0,0|2,0,1]=4 192 B6R0.4 COCCC(=O)N 34a_100138415774_100000731001 [1,0,0,0,0,0|2,0,1]=4 193 B6R0.4 COCCC(=O)N 7a_100000757172_200000210301 [1,0,0,0,0,0|2,0,1]=4 194 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [1,0,0,0,0,0|2,0,1]=4 195 B6R0.4 CSCC=C(C)C 62a_100000761012_200000210301 [1,0,0,0,0,0|2,0,0]=3 196 B6R0.4 CSCC=C(C)C 62a_200000210301_100000761012 [1,0,0,0,0,0|2,0,0]=3 197 B6R0.4 CSCCC(=O)C 1458a_100000070787_100000751147 [1,0,0,0,0,0|2,0,1]=4 198 B6R0.4 CSCCC(=O)C 1458a_100000174002_200000210301 [1,0,0,0,0,0|2,0,1]=4 199 B6R0.4 CSCCC(=O)C 62a_100000053229_200000210301 [1,0,0,0,0,0|2,0,1]=4 200 B6R0.4 CSCCC(=O)C 62a_200000210301_100000053229 [1,0,0,0,0,0|2,0,1]=4 201 B6R0.4 CSCCC(=O)N 62a_100000744528_200000210301 [1,0,0,0,0,0|2,0,1]=4 202 B6R0.4 CSCCC(=O)N 62a_200000210301_100000744528 [1,0,0,0,0,0|2,0,1]=4 203 B6R0.4 CSCCC(=O)[13CH3] 1458a_100000174002_200025704644 [1,0,0,0,0,0|2,0,1]=4 204 B6R0.4 O=C(O)CNCF 269956a_100016091260_100015361967 [1,0,0,0,0,0|2,0,1]=4 205 B6R0.4 [13CH3]NOCC(=O)O 269956a_100000106656_200025704644 [1,0,0,0,0,0|2,0,0]=3 206 B6R0.4 [13CH3]OCCC(=O)N 34a_100000757172_200025704644 [1,0,0,0,0,0|2,0,1]=4 207 B6R0.4 [13CH3]OCCC(=O)N 7a_100000757172_200025704644 [1,0,0,0,0,0|2,0,1]=4 208 B6R0.4 [13CH3]SCCC(=O)N 62a_100000744528_200025704644 [1,0,0,0,0,0|2,0,1]=4 209 B6R0.4 [13CH3]SCCC(=O)N 62a_200025704644_100000744528 [1,0,0,0,0,0|2,0,1]=4 210 B8R0.9 C#CC(=O)CC=C(C)C 1458a_100000211873_100000761012 [0,1,0,0,0,0|1,0,0]=2 211 B8R0.9 C#CC(=O)CCC(=C)C 1458a_100000211873_100000730704 [0,1,0,0,0,0|1,0,2]=4 212 B8R0.9 C#CC(=O)CCC(C)C 1458a_100000211873_100000210312 [0,1,0,0,0,0|1,0,2]=4 213 B8R0.9 C#CC(C)NCC(=O)O 269956a_100016091260_200000035995 [0,1,0,0,0,0|1,0,2]=4 214 B8R0.9 C=C(C)CCC(=O)CC 1458a_100000210414_100000730704 [0,1,0,0,0,0|1,0,2]=4 215 B8R0.9 C=C(C)CCC(=O)CC 1458a_200000688413_100000210202 [0,1,0,0,0,0|1,0,2]=4 216 B8R0.9 C=C(C)CCC(=O)CF 1458a_200000688413_100015361967 [0,1,0,0,0,0|1,0,2]=4 217 B8R0.9 C=C(C)CCC(=O)CO 1458a_100000210174_100000730704 [0,1,0,0,0,0|0,0,2]=3 218 B8R0.9 C=C(C)CCC(=O)NC 11a_106832991635_200000688413 [0,1,0,0,0,0|1,0,2]=4 219 B8R0.9 C=C(C)CCC(=O)NC 1626a_100102657272_200000688413 [0,1,0,0,0,0|1,0,2]=4 220 B8R0.9 C=C(C)CCC(=O)NC 240690a_100102657272_200000688413 [0,1,0,0,0,0|1,0,2]=4 221 B8R0.9 C=C(C)CCC(=O)NC 527a_100102657272_200000688413 [0,1,0,0,0,0|1,0,2]=4 222 B8R0.9 C=C(C)CNC(=O)CO 240690a_100000765925_100000210174 [0,1,0,0,0,0|1,0,2]=4 223 B8R0.9 C=C(C)CNC(=O)CO 527a_100000765925_100000210174 [0,1,0,0,0,0|1,0,2]=4 224 B8R0.9 C=CC(=O)CC=C(C)C 1458a_100000185746_100000761012 [0,1,0,0,0,0|1,0,0]=2 225 B8R0.9 C=CC(=O)CCC(=C)C 1458a_100000185746_100000730704 [0,1,0,0,0,0|1,0,2]=4 226 B8R0.9 C=CC(=O)CCC(C)C 1458a_100000185746_100000210312 [0,1,0,0,0,0|1,0,2]=4 227 B8R0.9 C=CC(C)NCC(=O)O 269956a_100016091260_100011215867 [0,1,0,0,0,0|1,0,2]=4 228 B8R0.9 CC(=CCC(=O)CF)C 1458a_100011220947_100015361967 [0,1,0,0,0,0|1,0,0]=2 229 B8R0.9 CC(=CCC(=O)CO)C 1458a_100000210174_100000761012 [0,1,0,0,0,0|0,0,0]=1 230 B8R0.9 CC(=O)COC(C)CO 34a_100000211253_100012180447 [0,1,0,0,0,0|2,0,1]=4 231 B8R0.9 CC(=O)NCC(=O)CF 1458a_100000194580_100015361967 [0,1,0,0,0,0|3,0,0]=4 232 B8R0.9 CC(=O)NN=C(C)CF 4a_100000189765_100000039719 [0,1,0,0,0,0|3,0,0]=4 233 B8R0.9 CC(=O)NN=C(C)CO 4a_100000189765_100000211253 [0,1,0,0,0,0|3,0,0]=4 234 B8R0.9 CC(=O)NNC(=O)CO 22a_100000189765_100000210174 [0,1,0,0,0,0|3,0,0]=4 235 B8R0.9 CC(=O)OCC(=O)CF 1458a_100000183556_100015361967 [0,1,0,0,0,0|3,0,0]=4 236 B8R0.9 CC(=O)SCC(=O)CF 1458a_100000049016_100015361967 [0,1,0,0,0,0|3,0,0]=4 237 B8R0.9 CC(C#N)NCC(=O)O 269956a_100016091260_100000184139 [0,1,0,0,0,0|1,0,2]=4 238 B8R0.9 CC(C)C=CC(=O)CF 1458a_100016268746_100015361967 [0,1,0,0,0,0|1,0,2]=4 239 B8R0.9 CC(C)CCC(=O)CF 1458a_100000181311_100015361967 [0,1,0,0,0,0|1,0,2]=4 240 B8R0.9 CC(C)CCC(=O)CO 1458a_100000210174_100000210312 [0,1,0,0,0,0|0,0,2]=3 241 B8R0.9 CC(C)CNC(=O)CO 240690a_100000210953_100000210174 [0,1,0,0,0,0|1,0,2]=4 242 B8R0.9 CC(C)CNC(=O)CO 527a_100000210953_100000210174 [0,1,0,0,0,0|1,0,2]=4 243 B8R0.9 CC(C)NNC(=O)CO 22a_100000741168_100000210174 [0,1,0,0,0,0|2,0,1]=4 244 B8R0.9 CC(C)OCC(=O)CF 1458a_100000745533_100015361967 [0,1,0,0,0,0|2,0,1]=4 245 B8R0.9 CC(C)SCC(=O)CF 1458a_100000241585_100015361967 [0,1,0,0,0,0|2,0,1]=4 246 B8R0.9 CC(CF)OCC(=O)N 34a_100016041109_100000187820 [0,1,0,0,0,0|2,0,1]=4 247 B8R0.9 CC(CF)OCC(=O)N 7a_100016041109_100000187820 [0,1,0,0,0,0|2,0,1]=4 248 B8R0.9 CC(CF)OCC(=O)[O-] 34a_100016041109_100020667443 [0,1,0,0,0,0|1,0,2]=4 249 B8R0.9 CC(CN)OCC(=O)N 34a_100000210904_100000187820 [0,1,0,0,0,0|2,0,1]=4 250 B8R0.9 CC(CN)OCC(=O)[O-] 34a_100000210904_100020667443 [0,1,0,0,0,0|1,0,2]=4 251 B8R0.9 CC(CO)NCC(=O)N 2230a_100000711301_100012180447 [0,1,0,0,0,0|2,0,1]=4 252 B8R0.9 CC(CO)SCC(=O)N 62a_100012180447_100000747473 [0,1,0,0,0,0|2,0,1]=4 253 B8R0.9 CC(CO)SCC(=O)[O-] 62a_100012180447_100020667443 [0,1,0,0,0,0|1,0,2]=4 254 B8R0.9 CC(O)CCC(=O)CO 1458a_100000210174_100012276601 [0,1,0,0,0,0|1,0,2]=4 255 B8R0.9 CC=C(C)C=CC(=O)C 1458a_100000692105_200000210301 [0,1,0,0,0,0|1,0,1]=3 256 B8R0.9 CC=C(C)C=CC(=O)[13CH3] 1458a_100000692105_200025704644 [0,1,0,0,0,0|1,0,1]=3 257 B8R0.9 CCC(=O)C=CC(C)C 1458a_100016268746_100000210202 [0,1,0,0,0,0|1,0,2]=4 258 B8R0.9 CCC(=O)CC=C(C)C 1458a_100000210414_100000761012 [0,1,0,0,0,0|1,0,0]=2 259 B8R0.9 CCC(=O)CC=C(C)C 1458a_100011220947_100000210202 [0,1,0,0,0,0|1,0,0]=2 260 B8R0.9 CCC(=O)CCC(=O)N 1458a_100011215257_100000210202 [0,1,0,0,0,0|2,0,1]=4 261 B8R0.9 CCC(=O)CCC(C)C 1458a_100000181311_100000210202 [0,1,0,0,0,0|1,0,2]=4 262 B8R0.9 CCC(=O)CCC(C)C 1458a_100000210414_100000210312 [0,1,0,0,0,0|1,0,2]=4 263 B8R0.9 CCC(=O)CC[S+](C)C 1458a_100009452791_100000210202 [0,1,0,0,0,0|2,0,1]=4 264 B8R0.9 CCC(=O)CNC(=O)C 1458a_100000194580_100000210202 [0,1,0,0,0,0|3,0,0]=4 265 B8R0.9 CCC(=O)COC(=O)C 1458a_100000183556_100000210202 [0,1,0,0,0,0|3,0,0]=4 266 B8R0.9 CCC(=O)COC(C)C 1458a_100000745533_100000210202 [0,1,0,0,0,0|2,0,1]=4 267 B8R0.9 CCC(=O)COC(C)C 34a_100000725409_100000210206 [0,1,0,0,0,0|2,0,1]=4 268 B8R0.9 CCC(=O)CSC(=O)C 1458a_100000049016_100000210202 [0,1,0,0,0,0|3,0,0]=4 269 B8R0.9 CCC(=O)CSC(C)C 1458a_100000241585_100000210202 [0,1,0,0,0,0|2,0,1]=4 270 B8R0.9 CCC(=O)CSC(C)C 62a_100000210206_100000747405 [0,1,0,0,0,0|2,0,1]=4 271 B8R0.9 CCC(=O)CSC(C)C 62a_100000747405_100000210206 [0,1,0,0,0,0|2,0,1]=4 272 B8R0.9 CCC(=O)NCC(=O)C 1458a_100000194589_200000210301 [0,1,0,0,0,0|3,0,0]=4 273 B8R0.9 CCC(=O)NCC(=O)N 11a_100000711301_100000210414 [0,1,0,0,0,0|3,0,0]=4 274 B8R0.9 CCC(=O)NCC(=O)N 240690a_100000711301_100000210414 [0,1,0,0,0,0|3,0,0]=4 275 B8R0.9 CCC(=O)NCC(=O)N 527a_100000711301_100000210414 [0,1,0,0,0,0|3,0,0]=4 276 B8R0.9 CCC(=O)NCC(=O)[13CH3] 1458a_100000194589_200025704644 [0,1,0,0,0,0|3,0,0]=4 277 B8R0.9 CCC(C)CCC(=O)C 1458a_100000701222_200000210301 [0,1,0,0,0,0|1,0,2]=4 278 B8R0.9 CCC(C)CCC(=O)[13CH3] 1458a_100000701222_200025704644 [0,1,0,0,0,0|1,0,2]=4 279 B8R0.9 CCC(C)NCC(=O)N 2230a_100000209981_100000747473 [0,1,0,0,0,0|2,0,1]=4 280 B8R0.9 CCC(C)NCC(=O)N 2230a_100000711301_100000758301 [0,1,0,0,0,0|2,0,1]=4 281 B8R0.9 CCC(C)NCC(=O)O 269956a_100016091260_100000758301 [0,1,0,0,0,0|1,0,1]=3 282 B8R0.9 CCC(C)OCC(=O)C 34a_100000211253_100011215416 [0,1,0,0,0,0|2,0,1]=4 283 B8R0.9 CCC(C)OCC(=O)N 7a_100000210228_100000187820 [0,1,0,0,0,0|2,0,1]=4 284 B8R0.9 CCC(C)SCC(=O)N 62a_100000747473_100000758301 [0,1,0,0,0,0|2,0,1]=4 285 B8R0.9 CCC(C)SCC(=O)N 62a_100000758301_100000747473 [0,1,0,0,0,0|2,0,1]=4 286 B8R0.9 CCC(C)SCC(=O)[O-] 62a_100000758301_100020667443 [0,1,0,0,0,0|1,0,2]=4 287 B8R0.9 CCC(C)SCC(=O)[O-] 62a_100020667443_100000758301 [0,1,0,0,0,0|1,0,2]=4 288 B8R0.9 CCN(C)CC=C(C)C 2230a_100000225621_100000761012 [0,1,0,0,0,0|3,0,0]=4 289 B8R0.9 CCN(C)CC=C(C)C 269982a_100000225621_100000761012 [0,1,0,0,0,0|3,0,0]=4 290 B8R0.9 CCN(C)CCC(=O)C 1458a_100000755305_200000210301 [0,1,0,0,0,0|2,0,1]=4 291 B8R0.9 CCN(C)CCC(=O)C 269982a_100000225621_100000053229 [0,1,0,0,0,0|2,0,1]=4 292 B8R0.9 CCN(C)CCC(=O)N 2230a_100000225621_100000744528 [0,1,0,0,0,0|2,0,1]=4 293 B8R0.9 CCN(C)CCC(=O)N 2230a_100000730477_100000210202 [0,1,0,0,0,0|2,0,1]=4 294 B8R0.9 CCN(C)CCC(=O)N 2230a_100020645749_200000210301 [0,1,0,0,0,0|2,0,1]=4 295 B8R0.9 CCN(C)CCC(=O)N 269982a_100000225621_100000744528 [0,1,0,0,0,0|2,0,1]=4 296 B8R0.9 CCN(C)CCC(=O)[13CH3] 1458a_100000755305_200025704644 [0,1,0,0,0,0|2,0,1]=4 297 B8R0.9 CCN([13CH3])CCC(=O)N 2230a_100020645749_200025704644 [0,1,0,0,0,0|2,0,1]=4 298 B8R0.9 CNC(=O)C=CC(=O)C 1458a_100016259477_200000210301 [0,1,0,0,0,0|2,0,1]=4 299 B8R0.9 CNC(=O)C=CC(=O)[13CH3] 1458a_100016259477_200025704644 [0,1,0,0,0,0|2,0,1]=4 300 B8R0.9 CNC(=O)C=CC(C)C 11a_106832991635_100016268746 [0,1,0,0,0,0|1,0,2]=4 301 B8R0.9 CNC(=O)C=CC(C)C 1626a_100102657272_100016268746 [0,1,0,0,0,0|1,0,2]=4 302 B8R0.9 CNC(=O)C=CC(C)C 240690a_100102657272_100016268746 [0,1,0,0,0,0|1,0,2]=4 303 B8R0.9 CNC(=O)CC=C(C)C 11a_106832991635_100011220947 [0,1,0,0,0,0|1,0,0]=2 304 B8R0.9 CNC(=O)CC=C(C)C 1626a_100102657272_100011220947 [0,1,0,0,0,0|1,0,0]=2 305 B8R0.9 CNC(=O)CC=C(C)C 240690a_100102657272_100011220947 [0,1,0,0,0,0|1,0,0]=2 306 B8R0.9 CNC(=O)CC=C(C)C 527a_100102657272_100011220947 [0,1,0,0,0,0|1,0,0]=2 307 B8R0.9 CNC(=O)CCC(=O)C 1458a_100011309844_200000210301 [0,1,0,0,0,0|2,0,1]=4 308 B8R0.9 CNC(=O)CCC(=O)N 240690a_100102657272_100011215257 [0,1,0,0,0,0|2,0,1]=4 309 B8R0.9 CNC(=O)CCC(=O)N 527a_100102657272_100011215257 [0,1,0,0,0,0|2,0,1]=4 310 B8R0.9 CNC(=O)CCC(=O)[13CH3] 1458a_100011309844_200025704644 [0,1,0,0,0,0|2,0,1]=4 311 B8R0.9 CNC(=O)CCC(C)C 11a_106832991635_100000181311 [0,1,0,0,0,0|1,0,2]=4 312 B8R0.9 CNC(=O)CCC(C)C 1626a_100102657272_100000181311 [0,1,0,0,0,0|1,0,2]=4 313 B8R0.9 CNC(=O)CCC(C)C 240690a_100102657272_100000181311 [0,1,0,0,0,0|1,0,2]=4 314 B8R0.9 CNC(=O)CCC(C)C 527a_100102657272_100000181311 [0,1,0,0,0,0|1,0,2]=4 315 B8R0.9 CNC(=O)CCN(C)C 11a_106832991635_100000689311 [0,1,0,0,0,0|2,0,1]=4 316 B8R0.9 CNC(=O)CCN(C)C 2230a_100000750875_200000210301 [0,1,0,0,0,0|2,0,1]=4 317 B8R0.9 CNC(=O)CCN(C)C 2230a_100102631434_100000737683 [0,1,0,0,0,0|2,0,1]=4 318 B8R0.9 CNC(=O)CCN(C)C 240690a_100102657272_100000689311 [0,1,0,0,0,0|2,0,1]=4 319 B8R0.9 CNC(=O)CCN(C)C 269982a_100000750875_200000210301 [0,1,0,0,0,0|2,0,1]=4 320 B8R0.9 CNC(=O)CCN(C)C 269982a_100102631434_100000737683 [0,1,0,0,0,0|2,0,1]=4 321 B8R0.9 CNC(=O)CCN(C)C 527a_100102657272_100000689311 [0,1,0,0,0,0|2,0,1]=4 322 B8R0.9 CNC(=O)CCN(C)[13CH3] 2230a_100000750875_200025704644 [0,1,0,0,0,0|2,0,1]=4 323 B8R0.9 CNC(=O)CCN(C)[13CH3] 269982a_100000750875_200025704644 [0,1,0,0,0,0|2,0,1]=4 324 B8R0.9 CNC(=O)CC[S+](C)C 11a_106832991635_100009452791 [0,1,0,0,0,0|2,0,1]=4 325 B8R0.9 CNC(=O)CC[S+](C)C 1626a_100102657272_100009452791 [0,1,0,0,0,0|2,0,1]=4 326 B8R0.9 CNC(=O)CC[S+](C)C 240690a_100102657272_100009452791 [0,1,0,0,0,0|2,0,1]=4 327 B8R0.9 CNC(=O)CNC(=O)C 11a_100000693194_100015343762 [0,1,0,0,0,0|3,0,0]=4 328 B8R0.9 CNC(=O)CNC(=O)C 11a_106832991635_100000194580 [0,1,0,0,0,0|3,0,0]=4 329 B8R0.9 CNC(=O)CNC(=O)C 1626a_100102657272_100000194580 [0,1,0,0,0,0|3,0,0]=4 330 B8R0.9 CNC(=O)CNC(=O)C 240690a_100000693194_100015343762 [0,1,0,0,0,0|3,0,0]=4 331 B8R0.9 CNC(=O)CNC(=O)C 240690a_100102657272_100000194580 [0,1,0,0,0,0|3,0,0]=4 332 B8R0.9 CNC(=O)CNC(=O)C 527a_100000693194_100103153847 [0,1,0,0,0,0|3,0,0]=4 333 B8R0.9 CNC(=O)CNC(=O)C 527a_100102657272_100000194580 [0,1,0,0,0,0|3,0,0]=4 334 B8R0.9 CNC(=O)CNC(C)C 2230a_100000693194_100000210206 [0,1,0,0,0,0|2,0,1]=4 335 B8R0.9 CNC(=O)CNC(C)C 2230a_100138425928_100000183359 [0,1,0,0,0,0|2,0,1]=4 336 B8R0.9 CNC(=O)CNC(C)C 34a_100138425928_100000183359 [0,1,0,0,0,0|2,0,1]=4 337 B8R0.9 CNC(=O)COC(=O)C 1626a_100102657272_100000183556 [0,1,0,0,0,0|3,0,0]=4 338 B8R0.9 CNC(=O)COC(=O)C 240690a_100102657272_100000183556 [0,1,0,0,0,0|3,0,0]=4 339 B8R0.9 CNC(=O)COC(=O)C 527a_100102657272_100000183556 [0,1,0,0,0,0|3,0,0]=4 340 B8R0.9 CNC(=O)COC(C)C 11a_106832991635_100000745533 [0,1,0,0,0,0|2,0,1]=4 341 B8R0.9 CNC(=O)COC(C)C 1626a_100102657272_100000745533 [0,1,0,0,0,0|2,0,1]=4 342 B8R0.9 CNC(=O)COC(C)C 240690a_100102657272_100000745533 [0,1,0,0,0,0|2,0,1]=4 343 B8R0.9 CNC(=O)COC(C)C 34a_100000212225_100000183359 [0,1,0,0,0,0|2,0,1]=4 344 B8R0.9 CNC(=O)COC(C)C 34a_100000750040_100000210206 [0,1,0,0,0,0|2,0,1]=4 345 B8R0.9 CNC(=O)COC(C)C 527a_100102657272_100000745533 [0,1,0,0,0,0|2,0,1]=4 346 B8R0.9 CNC(=O)CSC(=O)C 11a_106832991635_100000049016 [0,1,0,0,0,0|3,0,0]=4 347 B8R0.9 CNC(=O)CSC(=O)C 1626a_100102657272_100000049016 [0,1,0,0,0,0|3,0,0]=4 348 B8R0.9 CNC(=O)CSC(=O)C 240690a_100102657272_100000049016 [0,1,0,0,0,0|3,0,0]=4 349 B8R0.9 CNC(=O)CSC(C)C 11a_106832991635_100000241585 [0,1,0,0,0,0|2,0,1]=4 350 B8R0.9 CNC(=O)CSC(C)C 1626a_100102657272_100000241585 [0,1,0,0,0,0|2,0,1]=4 351 B8R0.9 CNC(=O)CSC(C)C 240690a_100102657272_100000241585 [0,1,0,0,0,0|2,0,1]=4 352 B8R0.9 CNC(=O)CSC(C)C 527a_100102657272_100000241585 [0,1,0,0,0,0|2,0,1]=4 353 B8R0.9 CNC(=O)CSC(C)C 62a_100000183359_100000210206 [0,1,0,0,0,0|2,0,1]=4 354 B8R0.9 CNC(=O)CSC(C)C 62a_100000210206_100000183359 [0,1,0,0,0,0|2,0,1]=4 355 B8R0.9 CNC(=O)NCC(=O)N 2708a_100102657272_100000711301 [0,1,0,0,0,0|3,0,0]=4 356 B8R0.9 CNC(=O)NCC(=O)N 273464a_100000711301_100102657272 [0,1,0,0,0,0|3,0,0]=4 357 B8R0.9 CNC(=O)NCC(=O)N 273464a_100102657272_100000711301 [0,1,0,0,0,0|3,0,0]=4 358 B8R0.9 CNC(=O)NCC(=O)N 512a_106832991638_100000711301 [0,1,0,0,0,0|3,0,0]=4 359 B8R0.9 COC(=O)CCC(=O)C 1458a_100000187943_200000210301 [0,1,0,0,0,0|1,0,1]=3 360 B8R0.9 COC(=O)CCC(=O)[13CH3] 1458a_100000187943_200025704644 [0,1,0,0,0,0|1,0,1]=3 361 B8R0.9 COC(=O)CCN(C)C 2230a_100102631434_100000204255 [0,1,0,0,0,0|1,0,1]=3 362 B8R0.9 COC(=O)CCN(C)C 269982a_100025711912_200000210301 [0,1,0,0,0,0|1,0,1]=3 363 B8R0.9 COC(=O)CCN(C)C 269982a_100102631434_100000204255 [0,1,0,0,0,0|1,0,1]=3 364 B8R0.9 COC(=O)CCN(C)[13CH3] 269982a_100025711912_200025704644 [0,1,0,0,0,0|1,0,1]=3 365 B8R0.9 COC(=O)CNC(=O)C 188690a_100000185156_100015343762 [0,1,0,0,0,0|2,0,0]=3 366 B8R0.9 COC(=O)CNC(C)C 2230a_100138425928_100000747449 [0,1,0,0,0,0|1,0,1]=3 367 B8R0.9 COC(=O)CNC(C)C 34a_100138425928_100000747449 [0,1,0,0,0,0|1,0,1]=3 368 B8R0.9 COC(=O)COC(C)C 34a_100000212225_100000747449 [0,1,0,0,0,0|1,0,1]=3 369 B8R0.9 COC(=O)CSC(C)C 62a_100000210206_100000747449 [0,1,0,0,0,0|1,0,1]=3 370 B8R0.9 COC(=O)CSC(C)C 62a_100000747449_100000210206 [0,1,0,0,0,0|1,0,1]=3 371 B8R0.9 COC(=O)NCC(=O)C 1458a_100000215747_200000210301 [0,1,0,0,0,0|2,0,1]=4 372 B8R0.9 COC(=O)NCC(=O)[13CH3] 1458a_100000215747_200025704644 [0,1,0,0,0,0|2,0,1]=4 373 B8R0.9 COC(C)NCC(=O)O 269956a_100016091260_100009879195 [0,1,0,0,0,0|1,0,1]=3 374 B8R0.9 COC(C)SCC(=O)N 62a_100000747473_100009879195 [0,1,0,0,0,0|2,0,1]=4 375 B8R0.9 COC(C)SCC(=O)N 62a_100009879195_100000747473 [0,1,0,0,0,0|2,0,1]=4 376 B8R0.9 COC(C)SCC(=O)[O-] 62a_100009879195_100020667443 [0,1,0,0,0,0|1,0,2]=4 377 B8R0.9 COC(C)SCC(=O)[O-] 62a_100020667443_100009879195 [0,1,0,0,0,0|1,0,2]=4 378 B8R0.9 C[C@H](CO)NCC(=O)N 2230a_100000737577_100000747473 [0,1,0,0,0,0|2,0,1]=4 379 B8R0.9 C[C@H](CO)NCC(=O)O 269956a_100016091260_100016084084 [0,1,0,0,0,0|1,0,1]=3 380 B8R0.9 C[C@H](CO)SCC(=O)N 62a_100000747473_100016084084 [0,1,0,0,0,0|2,0,1]=4 381 B8R0.9 C[C@H](CO)SCC(=O)N 62a_100016084084_100000747473 [0,1,0,0,0,0|2,0,1]=4 382 B8R0.9 C[C@H](CO)SCC(=O)[O-] 62a_100016084084_100020667443 [0,1,0,0,0,0|1,0,2]=4 383 B8R0.9 C[C@H](CO)SCC(=O)[O-] 62a_100020667443_100016084084 [0,1,0,0,0,0|1,0,2]=4 384 B8R0.9 C[S+](C)CCC(=O)CF 1458a_100009452791_100015361967 [0,1,0,0,0,0|2,0,1]=4 385 B8R0.9 NC(=O)CCC(=O)CF 1458a_100011215257_100015361967 [0,1,0,0,0,0|2,0,1]=4 386 B8R0.9 NC(=O)CNC(=O)CO 240690a_100000711301_100000210174 [0,1,0,0,0,0|3,0,0]=4 387 B8R0.9 NC(=O)CNC(=O)CO 527a_100000711301_100000210174 [0,1,0,0,0,0|3,0,0]=4 388 B8R0.23 C=C(C)C(=O)CC(=O)N 1458a_100000185857_100000187820 [0,1,0,0,0,0|1,0,1]=3 389 B8R0.23 C=C(C)C(=O)CC(=O)[O-] 1458a_100000185857_100020667443 [0,1,0,0,0,0|0,0,2]=3 390 B8R0.23 C=C(C)C(=O)CC(C)O 1458a_100000185857_100011218427 [0,1,0,0,0,0|1,0,2]=4 391 B8R0.23 C=C(C)C(=O)C[N+](=O)[O-] 1458a_100000185857_100000761209 [0,1,0,0,0,0|1,0,2]=4 392 B8R0.23 C=C(C)CC(=O)C(=C)C 1458a_100000185857_100000748629 [0,1,0,0,0,0|2,0,1]=4 393 B8R0.23 C=C(C)CC(=O)C(C)C 1458a_100000210198_100000748629 [0,1,0,0,0,0|2,0,1]=4 394 B8R0.23 C=C(F)CC(=O)C(=C)C 1458a_100000185857_100009893438 [0,1,0,0,0,0|2,0,1]=4 395 B8R0.23 C=C(F)CC(=O)C(C)C 1458a_100000210198_100009893438 [0,1,0,0,0,0|2,0,1]=4 396 B8R0.23 CC(=O)C(C)CC(C)C 1458a_100000070787_100000731052 [0,1,0,0,0,0|1,0,2]=4 397 B8R0.23 CC(=O)C(C)CN(C)C 1458a_200015186601_200000210301 [0,1,0,0,0,0|2,0,1]=4 398 B8R0.23 CC(=O)C(C)NC(C)C 2230a_100138425928_100009814033 [0,1,0,0,0,0|2,0,1]=4 399 B8R0.23 CC(=O)C(C)OC(C)C 34a_100000212229_100000210206 [0,1,0,0,0,0|2,0,1]=4 400 B8R0.23 CC(=O)C(C)SC(C)C 62a_100000210206_100009814033 [0,1,0,0,0,0|2,0,1]=4 401 B8R0.23 CC(=O)C(C)SC(C)C 62a_100009814033_100000210206 [0,1,0,0,0,0|2,0,1]=4 402 B8R0.23 CC(=O)CC(=O)C(=O)C 1458a_100000070787_100011261029 [0,1,0,0,0,0|2,0,0]=3 403 B8R0.23 CC(=O)CC(=O)C(C)C 1458a_100000070787_100000753385 [0,1,0,0,0,0|1,0,1]=3 404 B8R0.23 CC(=O)CC(=O)N(C)C 1458a_100000070787_100000185267 [0,1,0,0,0,0|2,0,0]=3 405 B8R0.23 CC(=O)CC(C)N(C)C 1458a_100011311895_200000210301 [0,1,0,0,0,0|2,0,1]=4 406 B8R0.23 CC(=O)CN(C)C(=O)C 1458a_100000194957_200000210301 [0,1,0,0,0,0|3,0,0]=4 407 B8R0.23 CC(=O)CN(C)C(C)C 1458a_100000743827_200000210301 [0,1,0,0,0,0|2,0,1]=4 408 B8R0.23 CC(=O)N(C)CC(=O)N 11a_100000739694_100015343762 [0,1,0,0,0,0|3,0,0]=4 409 B8R0.23 CC(=O)N(C)CC(=O)N 527a_100000739694_100103153847 [0,1,0,0,0,0|3,0,0]=4 410 B8R0.23 CC(=O)N(C)CC(=O)[13CH3] 1458a_100000194957_200025704644 [0,1,0,0,0,0|3,0,0]=4 411 B8R0.23 CC(=O)N[C@H](C)C(=O)C 1458a_100011504603_200000210301 [0,1,0,0,0,0|3,0,0]=4 412 B8R0.23 CC(=O)N[C@H](C)C(=O)N 11a_100000119354_100015343762 [0,1,0,0,0,0|3,0,0]=4 413 B8R0.23 CC(=O)N[C@H](C)C(=O)N 240690a_100000119354_100015343762 [0,1,0,0,0,0|3,0,0]=4 414 B8R0.23 CC(=O)N[C@H](C)C(=O)N 527a_100000119354_100103153847 [0,1,0,0,0,0|3,0,0]=4 415 B8R0.23 CC(=O)N[C@H](C)C(=O)[13CH3] 1458a_100011504603_200025704644 [0,1,0,0,0,0|3,0,0]=4 416 B8R0.23 CC(=O)OC(C)C(=O)C 1458a_100000070787_100009818208 [0,1,0,0,0,0|3,0,0]=4 417 B8R0.23 CC(=O)O[C@@H](C)C(=O)C 1458a_100009816467_200000210301 [0,1,0,0,0,0|3,0,0]=4 418 B8R0.23 CC(=O)O[C@@H](C)C(=O)[13CH3] 1458a_100009816467_200025704644 [0,1,0,0,0,0|3,0,0]=4 419 B8R0.23 CC(=O)[C@@H](O)CC(C)C 1458a_100012027011_200000210301 [0,1,0,0,0,0|1,0,2]=4 420 B8R0.23 CC(C)C(=O)CC(=O)N 1458a_100000210198_100000187820 [0,1,0,0,0,0|1,0,1]=3 421 B8R0.23 CC(C)C(=O)CC(=O)N 1458a_100134613110_100000210206 [0,1,0,0,0,0|1,0,1]=3 422 B8R0.23 CC(C)C(=O)CC(=O)[O-] 1458a_100000210198_100020667443 [0,1,0,0,0,0|0,0,2]=3 423 B8R0.23 CC(C)C(=O)C[C@@H](C)O 1458a_100011933948_100000210206 [0,1,0,0,0,0|1,0,2]=4 424 B8R0.23 CC(C)C(=O)C[N+](=O)[O-] 1458a_100000210198_100000761209 [0,1,0,0,0,0|1,0,2]=4 425 B8R0.23 CC(C)C[C@H](O)C(=O)[13CH3] 1458a_100012027011_200025704644 [0,1,0,0,0,0|1,0,2]=4 426 B8R0.23 CC(C)N(C)CC(=O)N 2230a_100000739694_100000210206 [0,1,0,0,0,0|2,0,1]=4 427 B8R0.23 CC(C)N(C)CC(=O)N 269982a_200000211004_100000187820 [0,1,0,0,0,0|2,0,1]=4 428 B8R0.23 CC(C)N(C)CC(=O)O 269956a_100000746989_100000210206 [0,1,0,0,0,0|1,0,1]=3 429 B8R0.23 CC(C)N(C)CC(=O)[13CH3] 1458a_100000743827_200025704644 [0,1,0,0,0,0|2,0,1]=4 430 B8R0.23 CC(C)N(C)CC(=O)[O-] 269982a_200000211004_100020667443 [0,1,0,0,0,0|1,0,2]=4 431 B8R0.23 CC(C)NC(C)C(=O)N 2230a_100138425928_100000702099 [0,1,0,0,0,0|2,0,1]=4 432 B8R0.23 CC(C)NC(C)C(=O)N 34a_100138425928_100000702099 [0,1,0,0,0,0|2,0,1]=4 433 B8R0.23 CC(C)NC(F)C(=O)N 2230a_100138425928_100009813875 [0,1,0,0,0,0|2,0,1]=4 434 B8R0.23 CC(C)NC(F)C(=O)N 34a_100138425928_100009813875 [0,1,0,0,0,0|2,0,1]=4 435 B8R0.23 CC(C)NC(F)C(=O)[O-] 34a_100138425928_100020610796 [0,1,0,0,0,0|1,0,2]=4 436 B8R0.23 CC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000210206 [0,1,0,0,0,0|1,0,1]=3 437 B8R0.23 CC(C)N[C@H](C)C(=O)N 2230a_100000119354_100000210206 [0,1,0,0,0,0|2,0,1]=4 438 B8R0.23 CC(C)N[C@H](C)C(=O)N 34a_100000119354_100000210206 [0,1,0,0,0,0|2,0,1]=4 439 B8R0.23 CC(C)OC(C)C(=O)N 34a_100000212225_100000702099 [0,1,0,0,0,0|2,0,1]=4 440 B8R0.23 CC(C)OC(F)C(=O)N 34a_100000212225_100009813875 [0,1,0,0,0,0|2,0,1]=4 441 B8R0.23 CC(C)OC(F)C(=O)[O-] 34a_100000212225_100020610796 [0,1,0,0,0,0|1,0,2]=4 442 B8R0.23 CC(C)O[C@@H](C)C(=O)[O-] 7a_217856618621_100000210206 [0,1,0,0,0,0|1,0,2]=4 443 B8R0.23 CC(C)O[C@H](C)C(=O)N 34a_100000731257_100000210206 [0,1,0,0,0,0|2,0,1]=4 444 B8R0.23 CC(C)O[C@H](C)C(=O)N 7a_100000731257_100000210206 [0,1,0,0,0,0|2,0,1]=4 445 B8R0.23 CC(C)SC(C)C(=O)N 62a_100000210206_100000702099 [0,1,0,0,0,0|2,0,1]=4 446 B8R0.23 CC(C)SC(C)C(=O)N 62a_100000702099_100000210206 [0,1,0,0,0,0|2,0,1]=4 447 B8R0.23 CC(C)SC(F)C(=O)N 62a_100000210206_100009813875 [0,1,0,0,0,0|2,0,1]=4 448 B8R0.23 CC(C)SC(F)C(=O)N 62a_100009813875_100000210206 [0,1,0,0,0,0|2,0,1]=4 449 B8R0.23 CC(C)SC(F)C(=O)[O-] 62a_100000210206_100020610796 [0,1,0,0,0,0|1,0,2]=4 450 B8R0.23 CC(C)SC(F)C(=O)[O-] 62a_100020610796_100000210206 [0,1,0,0,0,0|1,0,2]=4 451 B8R0.23 CC(CC(=O)[13CH3])N(C)C 1458a_100011311895_200025704644 [0,1,0,0,0,0|2,0,1]=4 452 B8R0.23 CC(CN(C)C)C(=O)[13CH3] 1458a_200015186601_200025704644 [0,1,0,0,0,0|2,0,1]=4 453 B8R0.23 CC(F)C(=O)CC(=O)N 1458a_100000062450_100000187820 [0,1,0,0,0,0|2,0,1]=4 454 B8R0.23 CC(F)C(=O)CC(=O)[O-] 1458a_100000062450_100020667443 [0,1,0,0,0,0|1,0,2]=4 455 B8R0.23 CC(O)CC(=O)C(C)C 1458a_100000210198_100011218427 [0,1,0,0,0,0|1,0,2]=4 456 B8R0.23 CN(C)C(=O)CC(=O)N 240690a_100102631434_100134613110 [0,1,0,0,0,0|2,0,0]=3 457 B8R0.23 CN(C)C(=O)CC(=O)N 527a_100102631434_100134613110 [0,1,0,0,0,0|2,0,0]=3 458 B8R0.23 C[C@@H](O)C(=O)CC(=O)N 1458a_100000717761_100000187820 [0,1,0,0,0,0|2,0,1]=4 459 B8R0.23 C[C@@H](O)C(=O)CC(=O)[O-] 1458a_100000717761_100020667443 [0,1,0,0,0,0|1,0,2]=4 460 B8R0.23 C[C@@H](O)CC(=O)N(C)C 240690a_100102631434_100011933948 [0,1,0,0,0,0|2,0,1]=4 461 B8R0.23 C[C@H](O)C(=O)CC(=O)N 1458a_217856618621_100000187820 [0,1,0,0,0,0|2,0,1]=4 462 B8R0.23 C[C@H](O)C(=O)CC(=O)[O-] 1458a_217856618621_100020667443 [0,1,0,0,0,0|1,0,2]=4 463 B8R0.29 CC(=O)CCC(C)(C)C 1458a_100000070787_100000755188 [0,1,0,0,0,0|1,0,2]=4 464 B8R0.29 CC(=O)CCC(C)(C)C 1458a_100000757465_200000210301 [0,1,0,0,0,0|1,0,2]=4 465 B8R0.29 CC(=O)CC[N+](C)(C)C 1458a_100000070787_100000085578 [0,1,0,0,0,0|2,0,1]=4 466 B8R0.29 CC(=O)CC[Si](C)(C)C 1458a_100000070787_200000733723 [0,1,0,0,0,0|1,1,1]=4 467 B8R0.29 CC(=O)CC[Si](C)(C)C 1458a_100011215282_200000210301 [0,1,0,0,0,0|1,1,1]=4 468 B8R0.29 CC(=O)COC(C)(C)C 1458a_100000686494_200000210301 [0,1,0,0,0,0|2,0,1]=4 469 B8R0.29 CC(=O)COC(C)(C)C 34a_100000211253_100000210625 [0,1,0,0,0,0|2,0,1]=4 470 B8R0.29 CC(C)(C)CCC(=O)[13CH3] 1458a_100000757465_200025704644 [0,1,0,0,0,0|1,0,2]=4 471 B8R0.29 CC(C)(C)NCC(=O)N 2230a_100000715429_100000747473 [0,1,0,0,0,0|2,0,1]=4 472 B8R0.29 CC(C)(C)NCC(=O)O 269956a_100016091260_100000211941 [0,1,0,0,0,0|1,0,1]=3 473 B8R0.29 CC(C)(C)OCC(=O)N 34a_100015890283_100000187820 [0,1,0,0,0,0|2,0,1]=4 474 B8R0.29 CC(C)(C)OCC(=O)N 7a_100015890283_100000187820 [0,1,0,0,0,0|2,0,1]=4 475 B8R0.29 CC(C)(C)OCC(=O)[13CH3] 1458a_100000686494_200025704644 [0,1,0,0,0,0|2,0,1]=4 476 B8R0.29 CC(C)(C)OCC(=O)[O-] 34a_100015890283_100020667443 [0,1,0,0,0,0|1,0,2]=4 477 B8R0.29 CC(C)(C)SCC(=O)N 62a_100000211941_100000747473 [0,1,0,0,0,0|2,0,1]=4 478 B8R0.29 CC(C)(C)SCC(=O)N 62a_100000747473_100000211941 [0,1,0,0,0,0|2,0,1]=4 479 B8R0.29 CC(C)(C)SCC(=O)[O-] 62a_100000211941_100020667443 [0,1,0,0,0,0|1,0,2]=4 480 B8R0.29 CC(C)(C)SCC(=O)[O-] 62a_100020667443_100000211941 [0,1,0,0,0,0|1,0,2]=4 481 B8R0.29 C[Si](C)(C)CCC(=O)[13CH3] 1458a_100011215282_200025704644 [0,1,0,0,0,0|1,1,1]=4 482 B8R1.3 CC1=CCN(CC1)C 2230a_100000693516_200000210301 [0,0,0,1,0,0|3,0,0]=4 483 B8R1.3 CC1=CCN(CC1)C 269982a_100000693516_200000210301 [0,0,0,1,0,0|3,0,0]=4 484 B8R1.3 CC1=CCN(CC1)C 34a_100000693516_200000210301 [0,0,0,1,0,0|3,0,0]=4 485 B8R1.3 CC1=CCN(CC1)[13CH3] 2230a_100000693516_200025704644 [0,0,0,1,0,0|3,0,0]=4 486 B8R1.3 CC1=CCN(CC1)[13CH3] 269982a_100000693516_200025704644 [0,0,0,1,0,0|3,0,0]=4 487 B8R1.3 CC1=CCN(CC1)[13CH3] 34a_100000693516_200025704644 [0,0,0,1,0,0|3,0,0]=4 488 B8R1.3 Cc1ccc(cc1)O 271570a_203496583355_100000186775 [0,0,0,1,0,0|1,0,2]=4 489 B8R1.3 Cc1ccc(cn1)O 271570a_203496583355_100000751577 [0,0,0,1,0,0|2,0,1]=4 490 B8R1.3 Cc1ccc(nc1)O 271570a_203496583355_100000754016 [0,0,0,1,0,0|1,0,2]=4 491 B8R1.3 Cc1ccc(nn1)O 271570a_203496583355_100011450037 [0,0,0,1,0,0|2,0,1]=4 492 B8R1.3 Cc1cnc(cn1)O 271570a_203496583355_100011999403 [0,0,0,1,0,0|3,0,0]=4 493 B8R1.3 Cc1cnc(nc1)O 271570a_203496583355_100011825175 [0,0,0,1,0,0|2,0,1]=4 494 B8R1.23 C=C1CC(C1)C(=O)C 1458a_100000065620_200000210301 [0,0,0,1,0,0|1,0,2]=4 495 B8R1.23 C=C1CC(C1)C(=O)[13CH3] 1458a_100000065620_200025704644 [0,0,0,1,0,0|1,0,2]=4 496 B8R1.23 CC(=O)C1CC(C1)C 1458a_100000686124_200000210301 [0,0,0,1,0,0|1,0,2]=4 497 B8R1.23 CC(=O)C1CN(C1)C 1458a_100012002723_200000210301 [0,0,0,1,0,0|2,0,1]=4 498 B8R1.23 CC(=O)[C@@H]1CC(=O)N1 1458a_100016090685_200000210301 [0,0,0,1,0,0|2,0,1]=4 499 B8R1.23 CC1CC(C1)C(=O)[13CH3] 1458a_100000686124_200025704644 [0,0,0,1,0,0|1,0,2]=4 500 B8R1.23 CN(C)C1CC(=O)C1 269982a_100102631434_100009894365 [0,0,0,1,0,0|2,0,1]=4 501 B8R1.23 CN1CC(C1)C(=O)N 34a_100025753142_200000210301 [0,0,0,1,0,0|2,0,1]=4 502 B8R1.23 CN1CC(C1)C(=O)[13CH3] 1458a_100012002723_200025704644 [0,0,0,1,0,0|2,0,1]=4 503 B8R1.23 [13CH3]C(=O)[C@@H]1CC(=O)N1 1458a_100016090685_200025704644 [0,0,0,1,0,0|2,0,1]=4 504 B8R1.23 [13CH3]N1CC(C1)C(=O)N 34a_100025753142_200025704644 [0,0,0,1,0,0|2,0,1]=4 505 B8R1.35 CC(=O)C=CC1CC1 1458a_100102529529_200000210301 [0,0,0,1,0,0|1,0,2]=4 506 B8R1.35 CC(=O)CCC1CC1 1458a_100000070787_100000694398 [0,0,0,1,0,0|1,0,2]=4 507 B8R1.35 CC(=O)CCC1CC1 1458a_100000756386_200000210301 [0,0,0,1,0,0|1,0,2]=4 508 B8R1.35 CC(=O)COC1CC1 34a_100000211253_100000211595 [0,0,0,1,0,0|2,0,1]=4 509 B8R1.35 NC(=O)CNC1CC1 34a_100000212008_100000187820 [0,0,0,1,0,0|2,0,1]=4 510 B8R1.35 NC(=O)CSC1CC1 62a_100000747473_100000211595 [0,0,0,1,0,0|2,0,1]=4 511 B8R1.35 O=C(O)CNC1CC1 269956a_100016091260_100000211595 [0,0,0,1,0,0|1,0,1]=3 512 B8R1.35 O=C([O-])CNC1CC1 34a_100000212008_100020667443 [0,0,0,1,0,0|1,0,2]=4 513 B8R1.35 O=C([O-])CSC1CC1 62a_100020667443_100000211595 [0,0,0,1,0,0|1,0,2]=4 514 B8R1.35 [13CH3]C(=O)C=CC1CC1 1458a_100102529529_200025704644 [0,0,0,1,0,0|1,0,2]=4 515 B8R1.35 [13CH3]C(=O)CCC1CC1 1458a_100000756386_200025704644 [0,0,0,1,0,0|1,0,2]=4 516 B8R1.77 CC(=O)[C@H]1CC1(C)C 1458a_100000692687_200000210301 [0,0,0,1,0,0|1,0,2]=4 517 B8R1.77 CC1(C[C@@H]1C(=O)[13CH3])C 1458a_100000692687_200025704644 [0,0,0,1,0,0|1,0,2]=4 518 B6R0.2 C=C(C)CC(=O)C 1458a_100000070787_100000748629 [0,0,0,0,1,0|1,0,1]=3 519 B6R0.2 C=C(C)CN(C)C 2230a_100000225649_200000210301 [0,0,0,0,1,0|3,0,0]=4 520 B6R0.2 C=C(C)CN(C)C 2230a_100102631434_100000748629 [0,0,0,0,1,0|3,0,0]=4 521 B6R0.2 C=C(C)CN(C)C 269982a_100000225649_200000210301 [0,0,0,0,1,0|3,0,0]=4 522 B6R0.2 C=C(C)CN(C)C 269982a_100102631434_100000748629 [0,0,0,0,1,0|3,0,0]=4 523 B6R0.2 C=C(C)CN(C)[13CH3] 2230a_100000225649_200025704644 [0,0,0,0,1,0|3,0,0]=4 524 B6R0.2 C=C(C)CN(C)[13CH3] 269982a_100000225649_200025704644 [0,0,0,0,1,0|3,0,0]=4 525 B6R0.2 C=C(F)CC(=O)C 1458a_100000070787_100009893438 [0,0,0,0,1,0|2,0,1]=4 526 B6R0.2 C=C(F)CN(C)C 2230a_100102631434_100009893438 [0,0,0,0,1,0|3,0,0]=4 527 B6R0.2 C=C(F)CN(C)C 269982a_100102631434_100009893438 [0,0,0,0,1,0|3,0,0]=4 528 B6R0.2 CC(=CC(=O)[13CH3])C 1458a_100000211388_200025704644 [0,0,0,0,1,0|1,0,0]=2 529 B6R0.2 CC(=CC(=O)[13CH3])Cl 1458a_200042562850_200025704644 [0,0,0,0,1,0|2,0,0]=3 530 B6R0.2 CC(=CC(=O)[13CH3])I 1458a_100025716642_200025704644 [0,0,0,0,1,0|2,0,0]=3 531 B6R0.2 CC(=O)C=C(C)C 1458a_100000211388_200000210301 [0,0,0,0,1,0|1,0,0]=2 532 B6R0.2 CC(=O)C=C(C)Cl 1458a_200042562850_200000210301 [0,0,0,0,1,0|2,0,0]=3 533 B6R0.2 CC(=O)C=C(C)I 1458a_100025716642_200000210301 [0,0,0,0,1,0|2,0,0]=3 534 B6R0.2 CC(=O)C=C(Cl)Cl 1458a_100000137448_200000210301 [0,0,0,0,1,0|3,0,0]=4 535 B6R0.2 CC(=O)CC(=O)N 1458a_100000070787_100000187820 [0,0,0,0,1,0|2,0,0]=3 536 B6R0.2 CC(=O)CC(=O)N 1458a_100134613110_200000210301 [0,0,0,0,1,0|2,0,0]=3 537 B6R0.2 CC(=O)CC(=O)[O-] 1458a_100000070787_100020667443 [0,0,0,0,1,0|1,0,1]=3 538 B6R0.2 CC(=O)CC(C)C 1458a_100000070787_100000210624 [0,0,0,0,1,0|1,0,1]=3 539 B6R0.2 CC(=O)CC(C)C 1458a_100000210554_200000210301 [0,0,0,0,1,0|1,0,1]=3 540 B6R0.2 CC(=O)CC(C)O 1458a_100000070787_100011218427 [0,0,0,0,1,0|2,0,1]=4 541 B6R0.2 CC(=O)CN(C)C 1458a_100000750896_200000210301 [0,0,0,0,1,0|2,0,0]=3 542 B6R0.2 CC(=O)C[C@@H](C)O 1458a_100011933948_200000210301 [0,0,0,0,1,0|2,0,1]=4 543 B6R0.2 CC(=O)C[N+](=O)[O-] 1458a_100000070787_100000761209 [0,0,0,0,1,0|2,0,1]=4 544 B6R0.2 CC(=O)C[S+](C)C 1458a_200159257847_200000210301 [0,0,0,0,1,0|2,0,0]=3 545 B6R0.2 CC(=O)NC(C)C 11a_100138425928_100015343762 [0,0,0,0,1,0|2,0,1]=4 546 B6R0.2 CC(=O)NC(C)C 1626a_100138425928_100015343762 [0,0,0,0,1,0|2,0,1]=4 547 B6R0.2 CC(=O)NC(C)C 240690a_100138425928_100015343762 [0,0,0,0,1,0|2,0,1]=4 548 B6R0.2 CC(=O)NC(C)C 527a_100138425928_100103153847 [0,0,0,0,1,0|2,0,1]=4 549 B6R0.2 CC(C)CC(=O)[13CH3] 1458a_100000210554_200025704644 [0,0,0,0,1,0|1,0,1]=3 550 B6R0.2 CC(O)CN(C)C 2230a_100000227577_200000210301 [0,0,0,0,1,0|2,0,1]=4 551 B6R0.2 CC(O)CN(C)C 2230a_100102631434_100011218427 [0,0,0,0,1,0|2,0,1]=4 552 B6R0.2 CC(O)CN(C)C 269982a_100000227577_200000210301 [0,0,0,0,1,0|2,0,1]=4 553 B6R0.2 CC(O)CN(C)C 269982a_100102631434_100011218427 [0,0,0,0,1,0|2,0,1]=4 554 B6R0.2 CC(O)CN(C)[13CH3] 2230a_100000227577_200025704644 [0,0,0,0,1,0|2,0,1]=4 555 B6R0.2 CC(O)CN(C)[13CH3] 269982a_100000227577_200025704644 [0,0,0,0,1,0|2,0,1]=4 556 B6R0.2 CN(C)CC(=O)N 2230a_100000739694_200000210301 [0,0,0,0,1,0|2,0,0]=3 557 B6R0.2 CN(C)CC(=O)N 2230a_100102631434_100000747473 [0,0,0,0,1,0|2,0,0]=3 558 B6R0.2 CN(C)CC(=O)N 269982a_100102631434_100000187820 [0,0,0,0,1,0|2,0,0]=3 559 B6R0.2 CN(C)CC(=O)O 269956a_100000746989_200000210301 [0,0,0,0,1,0|1,0,0]=2 560 B6R0.2 CN(C)CC(=O)[13CH3] 1458a_100000750896_200025704644 [0,0,0,0,1,0|2,0,0]=3 561 B6R0.2 CN(C)CC(=O)[O-] 269982a_100102631434_100020667443 [0,0,0,0,1,0|1,0,1]=3 562 B6R0.2 CN(C)C[N+](=O)[O-] 269982a_100102631434_100000761209 [0,0,0,0,1,0|2,0,1]=4 563 B6R0.2 CN([13CH3])CC(=O)N 2230a_100000739694_200025704644 [0,0,0,0,1,0|2,0,0]=3 564 B6R0.2 CN([13CH3])CC(=O)O 269956a_100000746989_200025704644 [0,0,0,0,1,0|1,0,0]=2 565 B6R0.2 C[C@@H](O)CC(=O)[13CH3] 1458a_100011933948_200025704644 [0,0,0,0,1,0|2,0,1]=4 566 B6R0.2 C[C@@H](O)CN(C)C 2230a_100102631434_100009817552 [0,0,0,0,1,0|2,0,1]=4 567 B6R0.2 C[C@@H](O)CN(C)C 269982a_100102631434_100009817552 [0,0,0,0,1,0|2,0,1]=4 568 B6R0.2 C[S+](C)CC(=O)[13CH3] 1458a_200159257847_200025704644 [0,0,0,0,1,0|2,0,0]=3 569 B6R0.2 [13CH3]C(=O)C=C(Cl)Cl 1458a_100000137448_200025704644 [0,0,0,0,1,0|3,0,0]=4 570 B6R0.2 [13CH3]C(=O)CC(=O)N 1458a_100134613110_200025704644 [0,0,0,0,1,0|2,0,0]=3 571 B8R0.28 C=C(C)C=NNC(=O)C 4a_100000189765_100000210575 [0,0,0,0,0,1|2,0,1]=4 572 B8R0.28 C=C(C)CNCC(=O)N 2230a_100000711301_100000748629 [0,0,0,0,0,1|1,0,2]=4 573 B8R0.28 C=C(C)CNCC(=O)O 269956a_100016091260_100000748629 [0,0,0,0,0,1|0,0,2]=3 574 B8R0.28 C=C(C)COCC(=O)C 34a_100000211253_100000748629 [0,0,0,0,0,1|1,0,2]=4 575 B8R0.28 C=C(C)COCC(=O)N 34a_100000210245_100000187820 [0,0,0,0,0,1|1,0,2]=4 576 B8R0.28 C=C(C)COCC(=O)[O-] 34a_100000210245_100020667443 [0,0,0,0,0,1|0,0,3]=4 577 B8R0.28 C=C(C)CSCC(=O)N 62a_100000747473_100000211660 [0,0,0,0,0,1|1,0,2]=4 578 B8R0.28 C=C(C)CSCC(=O)N 62a_100000748629_100000747473 [0,0,0,0,0,1|1,0,2]=4 579 B8R0.28 C=C(C)CSCC(=O)[O-] 62a_100000748629_100020667443 [0,0,0,0,0,1|0,0,3]=4 580 B8R0.28 C=C(C)CSCC(=O)[O-] 62a_100020667443_100000211660 [0,0,0,0,0,1|0,0,3]=4 581 B8R0.28 C=C(F)CNCC(=O)O 269956a_100016091260_100000042424 [0,0,0,0,0,1|1,0,2]=4 582 B8R0.28 CC(=CCCN(C)C)C 2230a_100102631434_100011217483 [0,0,0,0,0,1|3,0,0]=4 583 B8R0.28 CC(=CCCN(C)C)C 269982a_100102631434_100011217483 [0,0,0,0,0,1|3,0,0]=4 584 B8R0.28 CC(=CCNC(C)C)C 2230a_100138425928_100000761012 [0,0,0,0,0,1|2,0,1]=4 585 B8R0.28 CC(=CCNC(C)C)C 34a_100000718196_100000210206 [0,0,0,0,0,1|2,0,1]=4 586 B8R0.28 CC(=CCNC(C)C)C 34a_100138425928_100000761012 [0,0,0,0,0,1|2,0,1]=4 587 B8R0.28 CC(=CCOC(C)C)C 34a_100000212225_100000761012 [0,0,0,0,0,1|2,0,1]=4 588 B8R0.28 CC(=CCOC(C)C)C 34a_100000753907_100000210206 [0,0,0,0,0,1|2,0,1]=4 589 B8R0.28 CC(=CCSC(C)C)C 62a_100000210206_100000761012 [0,0,0,0,0,1|2,0,1]=4 590 B8R0.28 CC(=CCSC(C)C)C 62a_100000761012_100000210206 [0,0,0,0,0,1|2,0,1]=4 591 B8R0.28 CC(=O)C/C=C/C(C)C 1458a_100016292215_200000210301 [0,0,0,0,0,1|1,0,1]=3 592 B8R0.28 CC(=O)C=CCN(C)C 1458a_100000754359_200000210301 [0,0,0,0,0,1|2,0,1]=4 593 B8R0.28 CC(=O)CCC=C(C)C 1458a_100000070787_100011217483 [0,0,0,0,0,1|1,0,0]=2 594 B8R0.28 CC(=O)CCC=C(F)F 1458a_100000070787_200009816681 [0,0,0,0,0,1|3,0,0]=4 595 B8R0.28 CC(=O)CCCC(=O)C 1458a_100000070787_100011215641 [0,0,0,0,0,1|2,0,1]=4 596 B8R0.28 CC(=O)CCCC(=O)N 1458a_100000070787_100102525003 [0,0,0,0,0,1|2,0,1]=4 597 B8R0.28 CC(=O)CCCC(C)C 1458a_100000070787_100011214892 [0,0,0,0,0,1|1,0,2]=4 598 B8R0.28 CC(=O)CCCC(C)C 1458a_100011216857_200000210301 [0,0,0,0,0,1|1,0,2]=4 599 B8R0.28 CC(=O)CCCN(C)C 1458a_100000070787_100000695564 [0,0,0,0,0,1|2,0,1]=4 600 B8R0.28 CC(=O)CCCN(C)C 269982a_100102631434_100011215641 [0,0,0,0,0,1|2,0,1]=4 601 B8R0.28 CC(=O)CCNC(=O)C 1458a_100000070787_100000189650 [0,0,0,0,0,1|2,0,1]=4 602 B8R0.28 CC(=O)CCNC(=O)C 1458a_100000183196_200000210301 [0,0,0,0,0,1|2,0,1]=4 603 B8R0.28 CC(=O)CCNC(=O)N 1458a_100000070787_200000034859 [0,0,0,0,0,1|2,0,1]=4 604 B8R0.28 CC(=O)CCNC(=O)N 1458a_100000181464_200000210301 [0,0,0,0,0,1|2,0,1]=4 605 B8R0.28 CC(=O)CCOC(=O)C 1458a_100000070787_100009814007 [0,0,0,0,0,1|2,0,1]=4 606 B8R0.28 CC(=O)CCOC(=O)N 1458a_100000070787_200011214921 [0,0,0,0,0,1|2,0,1]=4 607 B8R0.28 CC(=O)CCOC(C)C 1458a_100000070787_100000211751 [0,0,0,0,0,1|1,0,2]=4 608 B8R0.28 CC(=O)CCOC(C)C 34a_100000759926_100000210206 [0,0,0,0,0,1|1,0,2]=4 609 B8R0.28 CC(=O)CCOC(C)C 7a_100000759926_100000210206 [0,0,0,0,0,1|1,0,2]=4 610 B8R0.28 CC(=O)CCSC(=O)C 1458a_100000048949_200000210301 [0,0,0,0,0,1|2,0,1]=4 611 B8R0.28 CC(=O)CCSC(C)C 1458a_100000070787_100000730970 [0,0,0,0,0,1|1,0,2]=4 612 B8R0.28 CC(=O)CCSC(C)C 62a_100000053229_100000210206 [0,0,0,0,0,1|1,0,2]=4 613 B8R0.28 CC(=O)CCSC(C)C 62a_100000210206_100000053229 [0,0,0,0,0,1|1,0,2]=4 614 B8R0.28 CC(=O)COCC(=O)N 1458a_100011219004_200000210301 [0,0,0,0,0,1|2,0,1]=4 615 B8R0.28 CC(=O)COCC(=O)N 34a_100000211253_100000187820 [0,0,0,0,0,1|2,0,1]=4 616 B8R0.28 CC(=O)COCC(=O)[O-] 34a_100000211253_100020667443 [0,0,0,0,0,1|1,0,2]=4 617 B8R0.28 CC(=O)COCC(C)C 1458a_100011223364_200000210301 [0,0,0,0,0,1|1,0,2]=4 618 B8R0.28 CC(=O)COCC(C)C 34a_100000211253_100000210624 [0,0,0,0,0,1|1,0,2]=4 619 B8R0.28 CC(=O)NCC=C(C)C 11a_100000718196_100015343762 [0,0,0,0,0,1|1,0,0]=2 620 B8R0.28 CC(=O)NCC=C(C)C 1626a_100000718196_100015343762 [0,0,0,0,0,1|1,0,0]=2 621 B8R0.28 CC(=O)NCC=C(C)C 527a_100000718196_100103153847 [0,0,0,0,0,1|1,0,0]=2 622 B8R0.28 CC(=O)NCCC(=O)N 11a_100000740010_100015343762 [0,0,0,0,0,1|2,0,1]=4 623 B8R0.28 CC(=O)NCCC(=O)N 240690a_100000740010_100015343762 [0,0,0,0,0,1|2,0,1]=4 624 B8R0.28 CC(=O)NCCC(=O)N 527a_100000740010_100103153847 [0,0,0,0,0,1|2,0,1]=4 625 B8R0.28 CC(=O)NCCC(=O)[13CH3] 1458a_100000183196_200025704644 [0,0,0,0,0,1|2,0,1]=4 626 B8R0.28 CC(=O)NCCC(C)C 11a_100000210545_100015343762 [0,0,0,0,0,1|1,0,2]=4 627 B8R0.28 CC(=O)NCCC(C)C 1626a_100000210545_100015343762 [0,0,0,0,0,1|1,0,2]=4 628 B8R0.28 CC(=O)NCCC(C)C 240690a_100000210545_100015343762 [0,0,0,0,0,1|1,0,2]=4 629 B8R0.28 CC(=O)NCCC(C)C 527a_100000210545_100103153847 [0,0,0,0,0,1|1,0,2]=4 630 B8R0.28 CC(=O)NCCN(C)C 2230a_100102631434_100000189650 [0,0,0,0,0,1|2,0,1]=4 631 B8R0.28 CC(=O)NCCN(C)C 240690a_100000210585_100015343762 [0,0,0,0,0,1|2,0,1]=4 632 B8R0.28 CC(=O)NCCN(C)C 269982a_100102631434_100000189650 [0,0,0,0,0,1|2,0,1]=4 633 B8R0.28 CC(=O)NCCN(C)C 527a_100000210585_100103153847 [0,0,0,0,0,1|2,0,1]=4 634 B8R0.28 CC(=O)NN=CC(C)C 4a_100000189765_100000210432 [0,0,0,0,0,1|2,0,1]=4 635 B8R0.28 CC(=O)OCCN(C)C 269982a_100102631434_100009814007 [0,0,0,0,0,1|2,0,1]=4 636 B8R0.28 CC(=O)OCNC(C)C 34a_100138425928_100009813279 [0,0,0,0,0,1|2,0,1]=4 637 B8R0.28 CC(=O)OCOC(C)C 34a_100000212225_100009813279 [0,0,0,0,0,1|2,0,1]=4 638 B8R0.28 CC(=O)OCSC(C)C 62a_100000076356_100000210206 [0,0,0,0,0,1|2,0,1]=4 639 B8R0.28 CC(=O)OCSC(C)C 62a_100000210206_100000076356 [0,0,0,0,0,1|2,0,1]=4 640 B8R0.28 CC(=O)SCCC(=O)[13CH3] 1458a_100000048949_200025704644 [0,0,0,0,0,1|2,0,1]=4 641 B8R0.28 CC(C)/C=C/CC(=O)[13CH3] 1458a_100016292215_200025704644 [0,0,0,0,0,1|1,0,1]=3 642 B8R0.28 CC(C)CCCC(=O)[13CH3] 1458a_100011216857_200025704644 [0,0,0,0,0,1|1,0,2]=4 643 B8R0.28 CC(C)CNCC(=O)N 2230a_100000210953_100000747473 [0,0,0,0,0,1|1,0,2]=4 644 B8R0.28 CC(C)CNCC(=O)N 2230a_100000711301_100000210760 [0,0,0,0,0,1|1,0,2]=4 645 B8R0.28 CC(C)CNCC(=O)N 34a_100000210953_100000187820 [0,0,0,0,0,1|1,0,2]=4 646 B8R0.28 CC(C)CNCC(=O)O 269956a_100016091260_100000210760 [0,0,0,0,0,1|0,0,2]=3 647 B8R0.28 CC(C)CNCC(=O)[O-] 34a_100000210953_100020667443 [0,0,0,0,0,1|0,0,3]=4 648 B8R0.28 CC(C)COCC(=O)N 34a_100000210257_100000187820 [0,0,0,0,0,1|1,0,2]=4 649 B8R0.28 CC(C)COCC(=O)[13CH3] 1458a_100011223364_200025704644 [0,0,0,0,0,1|1,0,2]=4 650 B8R0.28 CC(C)COCC(=O)[O-] 34a_100000210257_100020667443 [0,0,0,0,0,1|0,0,3]=4 651 B8R0.28 CC(C)CSCC(=O)N 62a_100000210624_100000747473 [0,0,0,0,0,1|1,0,2]=4 652 B8R0.28 CC(C)CSCC(=O)N 62a_100000747473_100000210760 [0,0,0,0,0,1|1,0,2]=4 653 B8R0.28 CC(C)CSCC(=O)[O-] 62a_100000210624_100020667443 [0,0,0,0,0,1|0,0,3]=4 654 B8R0.28 CC(C)CSCC(=O)[O-] 62a_100020667443_100000210760 [0,0,0,0,0,1|0,0,3]=4 655 B8R0.28 CC(C)NCCC(=O)N 2230a_100138425928_100000744528 [0,0,0,0,0,1|1,0,2]=4 656 B8R0.28 CC(C)NCCC(=O)N 34a_100138425928_100000731001 [0,0,0,0,0,1|1,0,2]=4 657 B8R0.28 CC(C)NOCC(=O)O 269956a_100000106656_100000210206 [0,0,0,0,0,1|1,0,1]=3 658 B8R0.28 CC(C)OCCC(=O)N 34a_100000212225_100000731001 [0,0,0,0,0,1|1,0,2]=4 659 B8R0.28 CC(C)OCCC(=O)N 34a_100000757172_100000210206 [0,0,0,0,0,1|1,0,2]=4 660 B8R0.28 CC(C)OCCC(=O)N 7a_100000757172_100000210206 [0,0,0,0,0,1|1,0,2]=4 661 B8R0.28 CC(C)SCCC(=O)N 62a_100000210206_100000744528 [0,0,0,0,0,1|1,0,2]=4 662 B8R0.28 CC(C)SCCC(=O)N 62a_100000744528_100000210206 [0,0,0,0,0,1|1,0,2]=4 663 B8R0.28 CC(O)CNCC(=O)O 269956a_100016091260_100011218427 [0,0,0,0,0,1|1,0,2]=4 664 B8R0.28 CN(C)CC=CC(=O)[13CH3] 1458a_100000754359_200025704644 [0,0,0,0,0,1|2,0,1]=4 665 B8R0.28 CN(C)CCCC(=O)N 269982a_100102631434_100102525003 [0,0,0,0,0,1|2,0,1]=4 666 B8R0.28 CN(C)CCCC(=O)O 269956a_100000719178_200000210301 [0,0,0,0,0,1|1,0,1]=3 667 B8R0.28 CN(C)CCNC(=O)N 2230a_100102631434_200000034859 [0,0,0,0,0,1|2,0,1]=4 668 B8R0.28 CN(C)CCNC(=O)N 269982a_100102631434_200000034859 [0,0,0,0,0,1|2,0,1]=4 669 B8R0.28 CN(C)CCOC(=O)N 269982a_100102631434_200011214921 [0,0,0,0,0,1|2,0,1]=4 670 B8R0.28 CN([13CH3])CCCC(=O)O 269956a_100000719178_200025704644 [0,0,0,0,0,1|1,0,1]=3 671 B8R0.28 C[C@@H](O)CNCC(=O)O 269956a_100016091260_100009817552 [0,0,0,0,0,1|1,0,2]=4 672 B8R0.28 NC(=O)CNCC(=O)O 269956a_100016091260_100000187820 [0,0,0,0,0,1|2,0,1]=4 673 B8R0.28 O=C([O-])CNCC(=O)O 269956a_100016091260_100020667443 [0,0,0,0,0,1|2,0,1]=4 674 B8R0.28 [13CH3]C(=O)CCNC(=O)N 1458a_100000181464_200025704644 [0,0,0,0,0,1|2,0,1]=4 675 B8R0.28 [13CH3]C(=O)COCC(=O)N 1458a_100011219004_200025704644 [0,0,0,0,0,1|2,0,1]=4 676 B5R0.1 C=CCC(=O)C 1458a_100000070787_100000210623 [2,0,0,0,0,0|1,0,0]=3 677 B5R0.1 C=CCC(=O)C 1458a_100000210193_200000210301 [2,0,0,0,0,0|1,0,0]=3 678 B5R0.1 C=CCC(=O)[13CH3] 1458a_100000210193_200025704644 [2,0,0,0,0,0|1,0,0]=3 679 B5R0.1 C=CCN(C)C 2230a_100000225617_200000210301 [2,0,0,0,0,0|2,0,0]=4 680 B5R0.1 C=CCN(C)C 2230a_100102631434_100000210623 [2,0,0,0,0,0|2,0,0]=4 681 B5R0.1 C=CCN(C)C 269982a_100000225617_200000210301 [2,0,0,0,0,0|2,0,0]=4 682 B5R0.1 C=CCN(C)C 269982a_100102631434_100000210623 [2,0,0,0,0,0|2,0,0]=4 683 B5R0.1 C=CCN(C)[13CH3] 2230a_100000225617_200025704644 [2,0,0,0,0,0|2,0,0]=4 684 B5R0.1 C=CCN(C)[13CH3] 269982a_100000225617_200025704644 [2,0,0,0,0,0|2,0,0]=4 685 B5R0.1 CC(=O)C=CBr 1458a_100016273825_200000210301 [2,0,0,0,0,0|2,0,0]=4 686 B5R0.1 CC(=O)C=CCl 1458a_200016279998_200000210301 [2,0,0,0,0,0|2,0,0]=4 687 B5R0.1 CC(=O)C=CI 1458a_100016256311_200000210301 [2,0,0,0,0,0|2,0,0]=4 688 B5R0.1 CC(=O)CCO 1458a_100000070787_100000211926 [2,0,0,0,0,0|1,0,1]=4 689 B5R0.1 CC(=O)CCO 1458a_100011216618_200000210301 [2,0,0,0,0,0|1,0,1]=4 690 B5R0.1 CC(=O)CO[13CH3] 34a_100000211253_200025704644 [2,0,0,0,0,0|2,0,0]=4 691 B5R0.1 CC=CC(=O)C 1458a_100000210699_200000210301 [2,0,0,0,0,0|1,0,0]=3 692 B5R0.1 CC=CC(=O)[13CH3] 1458a_100000210699_200025704644 [2,0,0,0,0,0|1,0,0]=3 693 B5R0.1 CCCC(=O)C 1458a_100000070787_100000210303 [2,0,0,0,0,0|1,0,1]=4 694 B5R0.1 CCCC(=O)C 1458a_100000211992_200000210301 [2,0,0,0,0,0|1,0,1]=4 695 B5R0.1 CCCC(=O)[13CH3] 1458a_100000211992_200025704644 [2,0,0,0,0,0|1,0,1]=4 696 B5R0.1 CN(C)CC=O 2230a_100102631434_200015260668 [2,0,0,0,0,0|1,0,0]=3 697 B5R0.1 CN(C)CC=O 269982a_100102631434_200015260668 [2,0,0,0,0,0|1,0,0]=3 698 B5R0.1 CN(C)CCO 2230a_100000210263_200000210301 [2,0,0,0,0,0|1,0,1]=4 699 B5R0.1 CN(C)CCO 2230a_100102631434_100000211926 [2,0,0,0,0,0|1,0,1]=4 700 B5R0.1 CN(C)CCO 269982a_100000210263_200000210301 [2,0,0,0,0,0|1,0,1]=4 701 B5R0.1 CN(C)CCO 269982a_100102631434_100000211926 [2,0,0,0,0,0|1,0,1]=4 702 B5R0.1 CN([13CH3])CCO 2230a_100000210263_200025704644 [2,0,0,0,0,0|1,0,1]=4 703 B5R0.1 CN([13CH3])CCO 269982a_100000210263_200025704644 [2,0,0,0,0,0|1,0,1]=4 704 B5R0.1 CNCC(=O)N 2230a_100000711301_200000210301 [2,0,0,0,0,0|2,0,0]=4 705 B5R0.1 CNCC(=O)N 2230a_106832991635_100000747473 [2,0,0,0,0,0|2,0,0]=4 706 B5R0.1 CNCC(=O)N 34a_100102657272_100000187820 [2,0,0,0,0,0|2,0,0]=4 707 B5R0.1 CNCC(=O)N 7a_106832991635_100000187820 [2,0,0,0,0,0|2,0,0]=4 708 B5R0.1 CNCC(=O)O 269956a_100016091260_200000210301 [2,0,0,0,0,0|1,0,0]=3 709 B5R0.1 CNCC(=O)[O-] 34a_100102657272_100020667443 [2,0,0,0,0,0|1,0,1]=4 710 B5R0.1 COCC(=O)C 1458a_100000210968_200000210301 [2,0,0,0,0,0|2,0,0]=4 711 B5R0.1 COCC(=O)C 34a_100000211253_200000210301 [2,0,0,0,0,0|2,0,0]=4 712 B5R0.1 COCC(=O)N 34a_100138415774_100000187820 [2,0,0,0,0,0|2,0,0]=4 713 B5R0.1 COCC(=O)[13CH3] 1458a_100000210968_200025704644 [2,0,0,0,0,0|2,0,0]=4 714 B5R0.1 COCC(=O)[O-] 34a_100138415774_100020667443 [2,0,0,0,0,0|1,0,1]=4 715 B5R0.1 CSCC(=O)C 1458a_100000184570_200000210301 [2,0,0,0,0,0|2,0,0]=4 716 B5R0.1 CSCC(=O)N 62a_100000747473_200000210301 [2,0,0,0,0,0|2,0,0]=4 717 B5R0.1 CSCC(=O)N 62a_200000210301_100000747473 [2,0,0,0,0,0|2,0,0]=4 718 B5R0.1 CSCC(=O)[13CH3] 1458a_100000184570_200025704644 [2,0,0,0,0,0|2,0,0]=4 719 B5R0.1 CSCC(=O)[O-] 62a_100020667443_200000210301 [2,0,0,0,0,0|1,0,1]=4 720 B5R0.1 CSCC(=O)[O-] 62a_200000210301_100020667443 [2,0,0,0,0,0|1,0,1]=4 721 B5R0.1 [13CH3]C(=O)C=CBr 1458a_100016273825_200025704644 [2,0,0,0,0,0|2,0,0]=4 722 B5R0.1 [13CH3]C(=O)C=CCl 1458a_200016279998_200025704644 [2,0,0,0,0,0|2,0,0]=4 723 B5R0.1 [13CH3]C(=O)C=CI 1458a_100016256311_200025704644 [2,0,0,0,0,0|2,0,0]=4 724 B5R0.1 [13CH3]C(=O)CCO 1458a_100011216618_200025704644 [2,0,0,0,0,0|1,0,1]=4 725 B5R0.1 [13CH3]NCC(=O)N 2230a_100000711301_200025704644 [2,0,0,0,0,0|2,0,0]=4 726 B5R0.1 [13CH3]NCC(=O)O 269956a_100016091260_200025704644 [2,0,0,0,0,0|1,0,0]=3 727 B5R0.1 [13CH3]SCC(=O)N 62a_100000747473_200025704644 [2,0,0,0,0,0|2,0,0]=4 728 B5R0.1 [13CH3]SCC(=O)N 62a_200025704644_100000747473 [2,0,0,0,0,0|2,0,0]=4 729 B5R0.1 [13CH3]SCC(=O)[O-] 62a_100020667443_200025704644 [2,0,0,0,0,0|1,0,1]=4 730 B5R0.1 [13CH3]SCC(=O)[O-] 62a_200025704644_100020667443 [2,0,0,0,0,0|1,0,1]=4 731 B5R0.2 C/C=C/CNC 34a_100102657272_100102629194 [2,0,0,0,0,0|2,0,0]=4 732 B5R0.2 C/C=C/CNC 7a_106832991635_100102629194 [2,0,0,0,0,0|2,0,0]=4 733 B5R0.2 C/C=C/COC 34a_100016270725_200000210301 [2,0,0,0,0,0|2,0,0]=4 734 B5R0.2 C/C=C/COC 34a_100138415774_100102629194 [2,0,0,0,0,0|2,0,0]=4 735 B5R0.2 C/C=C/CO[13CH3] 34a_100016270725_200025704644 [2,0,0,0,0,0|2,0,0]=4 736 B5R0.2 C/C=C/CSC 62a_100102629194_200000210301 [2,0,0,0,0,0|2,0,0]=4 737 B5R0.2 C/C=C/CSC 62a_200000210301_100102629194 [2,0,0,0,0,0|2,0,0]=4 738 B5R0.2 C/C=C/CS[13CH3] 62a_100102629194_200025704644 [2,0,0,0,0,0|2,0,0]=4 739 B5R0.2 C/C=C/CS[13CH3] 62a_200025704644_100102629194 [2,0,0,0,0,0|2,0,0]=4 740 B5R0.2 CC=CCNC 2230a_106832991635_100000070051 [2,0,0,0,0,0|2,0,0]=4 741 B5R0.2 CC=CCNC 34a_100102657272_100000070051 [2,0,0,0,0,0|2,0,0]=4 742 B5R0.2 CC=CCNC 7a_106832991635_100000070051 [2,0,0,0,0,0|2,0,0]=4 743 B5R0.2 CC=CCOC 34a_100138415774_100000070051 [2,0,0,0,0,0|2,0,0]=4 744 B5R0.2 CC=CCSC 62a_100000070051_200000210301 [2,0,0,0,0,0|2,0,0]=4 745 B5R0.2 CC=CCSC 62a_200000210301_100000070051 [2,0,0,0,0,0|2,0,0]=4 746 B5R0.2 CC=CCS[13CH3] 62a_100000070051_200025704644 [2,0,0,0,0,0|2,0,0]=4 747 B5R0.2 CC=CCS[13CH3] 62a_200025704644_100000070051 [2,0,0,0,0,0|2,0,0]=4 748 B5R0.2 CCNCC=O 2230a_100015525214_200015260668 [2,0,0,0,0,0|1,0,1]=4 749 B5R0.2 CCOCC=O 34a_100121572206_200009817547 [2,0,0,0,0,0|1,0,1]=4 750 B5R0.2 CCSCC=O 62a_100000210202_200015260668 [2,0,0,0,0,0|1,0,1]=4 751 B5R0.2 CCSCC=O 62a_200015260668_100000210202 [2,0,0,0,0,0|1,0,1]=4 752 B7R0.2 C=CC(=O)CC(=O)N 1458a_100000185746_100000187820 [1,1,0,0,0,0|1,0,1]=4 753 B7R0.2 C=CC(=O)CC(=O)[O-] 1458a_100000185746_100020667443 [1,1,0,0,0,0|0,0,2]=4 754 B7R0.2 CC(=CC(C)O[13CH3])C 34a_100000717055_200025704644 [1,1,0,0,0,0|2,0,0]=4 755 B7R0.2 CCC(=O)CC(=O)C 1458a_100000070787_100000747405 [1,1,0,0,0,0|1,0,1]=4 756 B7R0.2 CCC(=O)CC(=O)N 1458a_100000210414_100000187820 [1,1,0,0,0,0|1,0,1]=4 757 B7R0.2 CCC(=O)CC(=O)N 1458a_100134613110_100000210202 [1,1,0,0,0,0|1,0,1]=4 758 B7R0.2 CCC(=O)CC(=O)[O-] 1458a_100000210414_100020667443 [1,1,0,0,0,0|0,0,2]=4 759 B7R0.2 CCN(C)CC(=O)O 269956a_100000746405_200000210301 [1,1,0,0,0,0|1,0,1]=4 760 B7R0.2 CCN(C)CC(=O)O 269956a_100000746989_100000210202 [1,1,0,0,0,0|1,0,1]=4 761 B7R0.2 CCN([13CH3])CC(=O)O 269956a_100000746405_200025704644 [1,1,0,0,0,0|1,0,1]=4 762 B7R0.2 CNC(=O)CC(=O)C 1458a_100000070787_100000183359 [1,1,0,0,0,0|2,0,0]=4 763 B7R0.2 CNC(=O)CC(=O)N 240690a_100102657272_100134613110 [1,1,0,0,0,0|2,0,0]=4 764 B7R0.2 CNC(=O)CC(=O)N 527a_100102657272_100134613110 [1,1,0,0,0,0|2,0,0]=4 765 B7R0.2 COC(=O)CC(=O)C 1458a_100000070787_100000747449 [1,1,0,0,0,0|2,0,0]=4 766 B7R0.2 COC(=O)CC(=O)C 1458a_100000211351_200000210301 [1,1,0,0,0,0|2,0,0]=4 767 B7R0.2 COC(=O)CC(=O)[13CH3] 1458a_100000211351_200025704644 [1,1,0,0,0,0|2,0,0]=4 768 B7R0.2 COC(C)C=C(C)C 34a_100000717055_200000210301 [1,1,0,0,0,0|2,0,0]=4 769 B7R0.3 C#CC(=O)C/C=C/C 1458a_100000211873_100102629194 [1,1,0,0,0,0|1,0,0]=3 770 B7R0.3 C#CC(=O)CC=CC 1458a_100000211873_100000070051 [1,1,0,0,0,0|1,0,0]=3 771 B7R0.3 C/C=C/CC(=O)CC 1458a_100000210414_100102629194 [1,1,0,0,0,0|1,0,0]=3 772 B7R0.3 C/C=C/CC(=O)CO 1458a_100000210174_100102629194 [1,1,0,0,0,0|0,0,0]=2 773 B7R0.3 C=CC(=O)C/C=C/C 1458a_100000185746_100102629194 [1,1,0,0,0,0|1,0,0]=3 774 B7R0.3 C=CC(=O)CC=CC 1458a_100000185746_100000070051 [1,1,0,0,0,0|1,0,0]=3 775 B7R0.3 C=CCCC(=O)CO 1458a_100000210174_100000754431 [1,1,0,0,0,0|0,0,2]=4 776 B7R0.3 CC#CCC(=O)CO 1458a_100000210174_100000748600 [1,1,0,0,0,0|0,0,2]=4 777 B7R0.3 CC(CF)OCC=O 34a_100016041109_200009817547 [1,1,0,0,0,0|1,0,1]=4 778 B7R0.3 CC(CF)OCC=O 7a_100016041109_200015260668 [1,1,0,0,0,0|1,0,1]=4 779 B7R0.3 CC(CN)OCC=O 34a_100000210904_200009817547 [1,1,0,0,0,0|1,0,1]=4 780 B7R0.3 CC(CO)SCC=O 62a_100012180447_200015260668 [1,1,0,0,0,0|1,0,1]=4 781 B7R0.3 CC=CCC(=O)CC 1458a_100000210414_100000070051 [1,1,0,0,0,0|1,0,0]=3 782 B7R0.3 CC=CCC(=O)CC 1458a_100121576822_100000210202 [1,1,0,0,0,0|1,0,0]=3 783 B7R0.3 CC=CCC(=O)CF 1458a_100121576822_100015361967 [1,1,0,0,0,0|1,0,0]=3 784 B7R0.3 CC=CCC(=O)CO 1458a_100000210174_100000070051 [1,1,0,0,0,0|0,0,0]=2 785 B7R0.3 CC=CCC(=O)NC 11a_106832991635_100121576822 [1,1,0,0,0,0|1,0,0]=3 786 B7R0.3 CC=CCC(=O)NC 1626a_100102657272_100121576822 [1,1,0,0,0,0|1,0,0]=3 787 B7R0.3 CC=CCC(=O)NC 240690a_100102657272_100121576822 [1,1,0,0,0,0|1,0,0]=3 788 B7R0.3 CC=CCC(=O)NC 527a_100102657272_100121576822 [1,1,0,0,0,0|1,0,0]=3 789 B7R0.3 CCC(C)NCC=O 2230a_100000209981_200015260668 [1,1,0,0,0,0|1,0,1]=4 790 B7R0.3 CCC(C)OCC=O 7a_100000210228_200015260668 [1,1,0,0,0,0|1,0,1]=4 791 B7R0.3 CCC(C)SCC=O 62a_100000758301_200015260668 [1,1,0,0,0,0|1,0,1]=4 792 B7R0.3 CCC(C)SCC=O 62a_200015260668_100000758301 [1,1,0,0,0,0|1,0,1]=4 793 B7R0.3 CCCCC(=O)CO 1458a_100000210174_100000210211 [1,1,0,0,0,0|0,0,2]=4 794 B7R0.3 CCNCC(=O)OC 2230a_100015525214_100000747449 [1,1,0,0,0,0|1,0,1]=4 795 B7R0.3 CCOCC(=O)OC 34a_100121572206_100000747449 [1,1,0,0,0,0|1,0,1]=4 796 B7R0.3 CCSCC(=O)OC 62a_100000210202_100000747449 [1,1,0,0,0,0|1,0,1]=4 797 B7R0.3 CCSCC(=O)OC 62a_100000747449_100000210202 [1,1,0,0,0,0|1,0,1]=4 798 B7R0.3 CNCCC(=O)OC 2230a_106832991635_100000204255 [1,1,0,0,0,0|1,0,1]=4 799 B7R0.3 CNCCC(=O)OC 34a_100102657272_100000742370 [1,1,0,0,0,0|1,0,1]=4 800 B7R0.3 CNCCC(=O)OC 7a_106832991635_100000204255 [1,1,0,0,0,0|1,0,1]=4 801 B7R0.3 COC(=O)CCSC 62a_100000204255_200000210301 [1,1,0,0,0,0|1,0,1]=4 802 B7R0.3 COC(=O)CCSC 62a_200000210301_100000204255 [1,1,0,0,0,0|1,0,1]=4 803 B7R0.3 COC(=O)CCS[13CH3] 62a_100000204255_200025704644 [1,1,0,0,0,0|1,0,1]=4 804 B7R0.3 COC(=O)CCS[13CH3] 62a_200025704644_100000204255 [1,1,0,0,0,0|1,0,1]=4 805 B7R0.3 COC(C)SCC=O 62a_100009879195_200015260668 [1,1,0,0,0,0|1,0,1]=4 806 B7R0.3 COC(C)SCC=O 62a_200015260668_100009879195 [1,1,0,0,0,0|1,0,1]=4 807 B7R0.3 COCCC(=O)CO 1458a_100000210174_100000233755 [1,1,0,0,0,0|1,0,1]=4 808 B7R0.3 COCCC(=O)OC 34a_100138415774_100000742370 [1,1,0,0,0,0|1,0,1]=4 809 B7R0.3 CSCCC(=O)CO 1458a_100000210174_100000751147 [1,1,0,0,0,0|1,0,1]=4 810 B7R0.3 C[C@H](CO)NCC=O 2230a_100000737577_200015260668 [1,1,0,0,0,0|1,0,1]=4 811 B7R0.3 C[C@H](CO)SCC=O 62a_100016084084_200015260668 [1,1,0,0,0,0|1,0,1]=4 812 B7R0.3 C[C@H](CO)SCC=O 62a_200015260668_100016084084 [1,1,0,0,0,0|1,0,1]=4 813 B7R0.4 C/C=C/C=CC(=O)C 1458a_100000185730_200000210301 [1,1,0,0,0,0|1,0,1]=4 814 B7R0.4 C/C=C/C=CC(=O)[13CH3] 1458a_100000185730_200025704644 [1,1,0,0,0,0|1,0,1]=4 815 B7R0.4 C=C(C)COCC=O 34a_100000210245_200009817547 [1,1,0,0,0,0|0,0,2]=4 816 B7R0.4 C=C(C)CSCC=O 62a_100000748629_200015260668 [1,1,0,0,0,0|0,0,2]=4 817 B7R0.4 C=C(C)CSCC=O 62a_200015260668_100000211660 [1,1,0,0,0,0|0,0,2]=4 818 B7R0.4 C=CCNCC(=O)O 269956a_100016091260_100000210623 [1,1,0,0,0,0|0,0,2]=4 819 B7R0.4 CC(=CCCS[13CH3])C 62a_100011217483_200025704644 [1,1,0,0,0,0|0,1,1]=4 820 B7R0.4 CC(=CCCS[13CH3])C 62a_200025704644_100011217483 [1,1,0,0,0,0|0,1,1]=4 821 B7R0.4 CC(=CCNCF)C 34a_100000718196_100015361967 [1,1,0,0,0,0|1,0,1]=4 822 B7R0.4 CC(=CCOCF)C 34a_100000753907_100015361967 [1,1,0,0,0,0|1,0,1]=4 823 B7R0.4 CC(=CCSCF)C 62a_100000761012_100015361967 [1,1,0,0,0,0|1,0,1]=4 824 B7R0.4 CC(=CCSCF)C 62a_100015361967_100000761012 [1,1,0,0,0,0|1,0,1]=4 825 B7R0.4 CC(=O)COCC=O 34a_100000211253_200009817547 [1,1,0,0,0,0|1,0,1]=4 826 B7R0.4 CC(C)CNCC=O 2230a_100000210953_200015260668 [1,1,0,0,0,0|0,0,2]=4 827 B7R0.4 CC(C)CNCC=O 34a_100000210953_200009817547 [1,1,0,0,0,0|0,0,2]=4 828 B7R0.4 CC(C)COCC=O 34a_100000210257_200009817547 [1,1,0,0,0,0|0,0,2]=4 829 B7R0.4 CC(C)CSCC=O 62a_100000210624_200015260668 [1,1,0,0,0,0|0,0,2]=4 830 B7R0.4 CC(C)CSCC=O 62a_200015260668_100000210760 [1,1,0,0,0,0|0,0,2]=4 831 B7R0.4 CC/C=C/CC(=O)C 1458a_100016274230_200000210301 [1,1,0,0,0,0|1,0,0]=3 832 B7R0.4 CC/C=C/CC(=O)[13CH3] 1458a_100016274230_200025704644 [1,1,0,0,0,0|1,0,0]=3 833 B7R0.4 CC/C=C\CC(=O)C 1458a_100000070787_100103147603 [1,1,0,0,0,0|1,0,0]=3 834 B7R0.4 CCCNCC(=O)O 269956a_100016091260_100000210207 [1,1,0,0,0,0|0,0,2]=4 835 B7R0.4 CCNCC=C(C)C 2230a_100015525214_100000761012 [1,1,0,0,0,0|1,0,1]=4 836 B7R0.4 CCNCC=C(C)C 34a_100000718196_100000210202 [1,1,0,0,0,0|1,0,1]=4 837 B7R0.4 CCNOCC(=O)O 269956a_100000106656_100000210202 [1,1,0,0,0,0|1,0,1]=4 838 B7R0.4 CCOCC=C(C)C 34a_100000753907_100000210202 [1,1,0,0,0,0|1,0,1]=4 839 B7R0.4 CCOCC=C(C)C 34a_100121572206_100000761012 [1,1,0,0,0,0|1,0,1]=4 840 B7R0.4 CCSCC=C(C)C 62a_100000210202_100000761012 [1,1,0,0,0,0|1,0,1]=4 841 B7R0.4 CCSCC=C(C)C 62a_100000761012_100000210202 [1,1,0,0,0,0|1,0,1]=4 842 B7R0.4 CN(C)CCCC=O 2230a_100102631434_200011292268 [1,1,0,0,0,0|1,0,1]=4 843 B7R0.4 CN(C)CCCC=O 269982a_100102631434_200011292268 [1,1,0,0,0,0|1,0,1]=4 844 B7R0.4 CNCCC=C(C)C 2230a_106832991635_100011217483 [1,1,0,0,0,0|1,0,1]=4 845 B7R0.4 CNCCC=C(C)C 34a_100102657272_100011217483 [1,1,0,0,0,0|1,0,1]=4 846 B7R0.4 CNCCC=C(C)C 7a_106832991635_100011217483 [1,1,0,0,0,0|1,0,1]=4 847 B7R0.4 COCCC=C(C)C 34a_100138415774_100011217483 [1,1,0,0,0,0|0,0,1]=3 848 B7R0.4 COCNCC(=O)O 269956a_100016091260_100000766300 [1,1,0,0,0,0|1,0,1]=4 849 B7R0.4 CSCCC=C(C)C 62a_100011217483_200000210301 [1,1,0,0,0,0|0,1,1]=4 850 B7R0.4 CSCCC=C(C)C 62a_200000210301_100011217483 [1,1,0,0,0,0|0,1,1]=4 851 B7R0.4 CSCNCC(=O)O 269956a_100016091260_100011218213 [1,1,0,0,0,0|1,0,1]=4 852 B7R0.4 O=C(O)CNCCF 269956a_100016091260_100011217306 [1,1,0,0,0,0|1,0,1]=4 853 B7R0.4 O=C(O)CNCCO 269956a_100016091260_100000211926 [1,1,0,0,0,0|1,0,1]=4 854 B7R0.4 O=C(O)CONCF 269956a_100000106656_100015361967 [1,1,0,0,0,0|2,0,0]=4 855 B7R0.4 O=CCNCC(=O)O 269956a_100016091260_200015260668 [1,1,0,0,0,0|1,0,1]=4 856 B7R0.5 C=C(C)C(=O)CCO 1458a_100000185857_100000211926 [1,1,0,0,0,0|0,0,2]=4 857 B7R0.5 C=CCC(=O)C(=C)C 1458a_100000185857_100000210623 [1,1,0,0,0,0|1,0,1]=4 858 B7R0.5 C=CCC(=O)C(C)C 1458a_100000210193_100000210206 [1,1,0,0,0,0|1,0,1]=4 859 B7R0.5 C=CCC(=O)C(C)C 1458a_100000210198_100000210623 [1,1,0,0,0,0|1,0,1]=4 860 B7R0.5 C=CCC(=O)N(C)C 11a_100102631434_100000210193 [1,1,0,0,0,0|2,0,0]=4 861 B7R0.5 C=CCC(=O)N(C)C 1626a_100102631434_100000210193 [1,1,0,0,0,0|2,0,0]=4 862 B7R0.5 C=CCC(=O)N(C)C 240690a_100102631434_100000210193 [1,1,0,0,0,0|2,0,0]=4 863 B7R0.5 C=CCC(=O)N(C)C 527a_100102631434_100000210193 [1,1,0,0,0,0|2,0,0]=4 864 B7R0.5 CC(C)C(=O)CCO 1458a_100000210198_100000211926 [1,1,0,0,0,0|0,0,2]=4 865 B7R0.5 CC(C)C(=O)CCO 1458a_100011216618_100000210206 [1,1,0,0,0,0|0,0,2]=4 866 B7R0.5 CC(C)N(C)CC=O 269982a_200000211004_200015260668 [1,1,0,0,0,0|1,0,1]=4 867 B7R0.5 CC(CN[13CH3])C(=O)O 269956a_100000749485_200025704644 [1,1,0,0,0,0|1,0,1]=4 868 B7R0.5 CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210202 [1,1,0,0,0,0|1,0,1]=4 869 B7R0.5 CN(C)C(=O)CCO 240690a_100102631434_100011216618 [1,1,0,0,0,0|1,0,1]=4 870 B7R0.5 CNCC(C)C(=O)O 269956a_100000749485_200000210301 [1,1,0,0,0,0|1,0,1]=4 871 B7R0.5 CNCC(F)C(=O)O 269956a_100000084737_200000210301 [1,1,0,0,0,0|1,0,1]=4 872 B7R0.5 [13CH3]NCC(F)C(=O)O 269956a_100000084737_200025704644 [1,1,0,0,0,0|1,0,1]=4 873 B7R0.8 CC(C)(C)NCC=O 2230a_100000715429_200015260668 [1,1,0,0,0,0|1,0,1]=4 874 B7R0.8 CC(C)(C)OCC=O 34a_100015890283_200009817547 [1,1,0,0,0,0|1,0,1]=4 875 B7R0.8 CC(C)(C)OCC=O 7a_100015890283_200015260668 [1,1,0,0,0,0|1,0,1]=4 876 B7R0.8 CC(C)(C)SCC=O 62a_100000211941_200015260668 [1,1,0,0,0,0|1,0,1]=4 877 B7R0.8 CC(C)(C)SCC=O 62a_200015260668_100000211941 [1,1,0,0,0,0|1,0,1]=4 878 B7R0.9 CC(=O)CC(C)(C)C 1458a_100000211214_200000210301 [0,1,0,0,1,0|1,0,1]=4 879 B7R0.9 CC(=O)CC(C)(C)O 1458a_100000693243_200000210301 [0,1,0,0,1,0|1,0,1]=4 880 B7R0.9 CC(=O)C[N+](C)(C)C 1458a_100000033712_200000210301 [0,1,0,0,1,0|2,0,0]=4 881 B7R0.9 CC(=O)C[Si](C)(C)C 1458a_100000070787_100000233785 [0,1,0,0,1,0|1,1,0]=4 882 B7R0.9 CC(=O)C[Si](C)(C)C 1458a_100011218504_200000210301 [0,1,0,0,1,0|1,1,0]=4 883 B7R0.9 CC(C)(C)CC(=O)[13CH3] 1458a_100000211214_200025704644 [0,1,0,0,1,0|1,0,1]=4 884 B7R0.9 CC(C)(O)CC(=O)[13CH3] 1458a_100000693243_200025704644 [0,1,0,0,1,0|1,0,1]=4 885 B7R0.9 C[N+](C)(C)CC(=O)[13CH3] 1458a_100000033712_200025704644 [0,1,0,0,1,0|2,0,0]=4 886 B7R0.9 C[Si](C)(C)CC(=O)[13CH3] 1458a_100011218504_200025704644 [0,1,0,0,1,0|1,1,0]=4 887 B7R0.16 CC(=O)C(=O)N(C)C 1458a_100011218876_200000210301 [0,1,0,0,1,0|2,0,0]=4 888 B7R0.16 CC(=O)C(C)C(=O)C 1458a_100000070787_100000179758 [0,1,0,0,1,0|2,0,0]=4 889 B7R0.16 CC(=O)C(C)C(=O)N 1458a_100000070787_100000702099 [0,1,0,0,1,0|2,0,0]=4 890 B7R0.16 CC(=O)C(C)C(C)C 1458a_100000755409_200000210301 [0,1,0,0,1,0|1,0,1]=4 891 B7R0.16 CC(=O)C(C)N(C)C 2230a_100102631434_100009814033 [0,1,0,0,1,0|2,0,0]=4 892 B7R0.16 CC(=O)C(C)N(C)C 269982a_100102631434_100009814033 [0,1,0,0,1,0|2,0,0]=4 893 B7R0.16 CC(=O)C(F)C(=O)N 1458a_100000070787_100009813875 [0,1,0,0,1,0|2,0,0]=4 894 B7R0.16 CC(=O)C(F)C(=O)[O-] 1458a_100000070787_100020610796 [0,1,0,0,1,0|1,0,1]=4 895 B7R0.16 CC(=O)[C@H](C)N(C)C 1458a_100009822176_200000210301 [0,1,0,0,1,0|2,0,0]=4 896 B7R0.16 CC(=O)[C@H](O)C(C)C 1458a_100000691806_200000210301 [0,1,0,0,1,0|1,0,1]=4 897 B7R0.16 CC(C(=O)N)N(C)C 2230a_100102631434_100000702099 [0,1,0,0,1,0|2,0,0]=4 898 B7R0.16 CC(C(=O)N)N(C)C 269982a_100102631434_100000184083 [0,1,0,0,1,0|2,0,0]=4 899 B7R0.16 CC(C(=O)O)N(C)C 269956a_100000749554_200000210301 [0,1,0,0,1,0|1,0,0]=3 900 B7R0.16 CC(C(=O)O)N(C)[13CH3] 269956a_100000749554_200025704644 [0,1,0,0,1,0|1,0,0]=3 901 B7R0.16 CC(C)C(C)C(=O)[13CH3] 1458a_100000755409_200025704644 [0,1,0,0,1,0|1,0,1]=4 902 B7R0.16 CC(C)[C@@H](O)C(=O)[13CH3] 1458a_100000691806_200025704644 [0,1,0,0,1,0|1,0,1]=4 903 B7R0.16 CN(C)C(=O)C(=O)N 240690a_100102631434_100011215815 [0,1,0,0,1,0|2,0,0]=4 904 B7R0.16 CN(C)C(=O)C(=O)[13CH3] 1458a_100011218876_200025704644 [0,1,0,0,1,0|2,0,0]=4 905 B7R0.16 CN(C)C(F)C(=O)N 2230a_100102631434_100009813875 [0,1,0,0,1,0|2,0,0]=4 906 B7R0.16 CN(C)C(F)C(=O)N 269982a_100102631434_100009813875 [0,1,0,0,1,0|2,0,0]=4 907 B7R0.16 C[C@@H](C(=O)[13CH3])N(C)C 1458a_100009822176_200025704644 [0,1,0,0,1,0|2,0,0]=4 908 B9R0.1 C#CC(=O)CCC=C(C)C 1458a_100000211873_100011217483 [0,1,0,0,0,1|1,0,0]=3 909 B9R0.1 C/C=C(\C)/C=NNC(=O)C 4a_100000189765_100020587592 [0,1,0,0,0,1|2,0,0]=4 910 B9R0.1 C=C(C)COCC(=O)OC 34a_100000210245_100000747449 [0,1,0,0,0,1|0,0,2]=4 911 B9R0.1 C=C(C)CSCC(=O)OC 62a_100000747449_100000211660 [0,1,0,0,0,1|0,0,2]=4 912 B9R0.1 C=C(C)CSCC(=O)OC 62a_100000748629_100000747449 [0,1,0,0,0,1|0,0,2]=4 913 B9R0.1 C=CC(=O)CCC=C(C)C 1458a_100000185746_100011217483 [0,1,0,0,0,1|1,0,0]=3 914 B9R0.1 C=CC(=O)NCC=C(C)C 1626a_100000718196_100000185746 [0,1,0,0,0,1|1,0,0]=3 915 B9R0.1 CC(=CCCC(=O)CO)C 1458a_100000210174_100011217483 [0,1,0,0,0,1|0,0,0]=2 916 B9R0.1 CC(=CCCC(C)O[13CH3])C 34a_100102619829_200025704644 [0,1,0,0,0,1|1,0,1]=4 917 B9R0.1 CC(=CCCC(C)O[13CH3])C 7a_100102619829_200025704644 [0,1,0,0,0,1|1,0,1]=4 918 B9R0.1 CC(=CCNC(=O)CO)C 527a_100000718196_100000210174 [0,1,0,0,0,1|0,0,0]=2 919 B9R0.1 CC(=CCNC(C)CO)C 34a_100000718196_100012180447 [0,1,0,0,0,1|1,0,1]=4 920 B9R0.1 CC(=CCN[C@H](C)CO)C 2230a_100000737577_100000761012 [0,1,0,0,0,1|1,0,1]=4 921 B9R0.1 CC(=CCOC(C)CO)C 34a_100000753907_100012180447 [0,1,0,0,0,1|1,0,1]=4 922 B9R0.1 CC(=CCSC(C)CO)C 62a_100012180447_100000761012 [0,1,0,0,0,1|1,0,1]=4 923 B9R0.1 CC(=CCS[C@H](C)CO)C 62a_100000761012_100016084084 [0,1,0,0,0,1|1,0,1]=4 924 B9R0.1 CC(=CCS[C@H](C)CO)C 62a_100016084084_100000761012 [0,1,0,0,0,1|1,0,1]=4 925 B9R0.1 CC(=O)CCCC(=O)CO 1458a_100000210174_100011215641 [0,1,0,0,0,1|1,0,1]=4 926 B9R0.1 CC(=O)NCCC(=O)CO 1458a_100000210174_100000189650 [0,1,0,0,0,1|1,0,1]=4 927 B9R0.1 CC(=O)OCCC(=O)CO 1458a_100000210174_100009814007 [0,1,0,0,0,1|1,0,1]=4 928 B9R0.1 CC(C)/C=C/CC(=O)CF 1458a_100016292215_100015361967 [0,1,0,0,0,1|1,0,1]=4 929 B9R0.1 CC(C)CCCC(=O)CO 1458a_100000210174_100011214892 [0,1,0,0,0,1|0,0,2]=4 930 B9R0.1 CC(C)CCNC(=O)CO 240690a_100000210545_100000210174 [0,1,0,0,0,1|0,0,2]=4 931 B9R0.1 CC(C)CCNC(=O)CO 527a_100000210545_100000210174 [0,1,0,0,0,1|0,0,2]=4 932 B9R0.1 CC(C)OCCC(=O)CO 1458a_100000210174_100000211751 [0,1,0,0,0,1|0,0,2]=4 933 B9R0.1 CC(C)SCCC(=O)CO 1458a_100000210174_100000730970 [0,1,0,0,0,1|0,0,2]=4 934 B9R0.1 CCC(=O)C/C=C/C(C)C 1458a_100016292215_100000210202 [0,1,0,0,0,1|1,0,1]=4 935 B9R0.1 CCC(=O)CCC=C(C)C 1458a_100000210414_100011217483 [0,1,0,0,0,1|1,0,0]=3 936 B9R0.1 CCC(=O)CNCC(=O)O 269956a_100016091260_100000747405 [0,1,0,0,0,1|1,0,1]=4 937 B9R0.1 CCC(=O)NCC=C(C)C 11a_100000718196_100000210414 [0,1,0,0,0,1|1,0,0]=3 938 B9R0.1 CCC(=O)NCC=C(C)C 1626a_100000718196_100000210414 [0,1,0,0,0,1|1,0,0]=3 939 B9R0.1 CCC(=O)NCC=C(C)C 527a_100000718196_100000210414 [0,1,0,0,0,1|1,0,0]=3 940 B9R0.1 CCC(C)CNCC(=O)O 269956a_100016091260_100000748023 [0,1,0,0,0,1|0,0,2]=4 941 B9R0.1 CCC(C)NOCC(=O)O 269956a_100000106656_100000758301 [0,1,0,0,0,1|1,0,1]=4 942 B9R0.1 CCN(C)CCCC(=O)O 269956a_100000719178_100000210202 [0,1,0,0,0,1|1,0,1]=4 943 B9R0.1 CC[C@H](C)CNCC(=O)O 269956a_100016091260_100009816398 [0,1,0,0,0,1|0,0,2]=4 944 B9R0.1 CN(C)CCCC(=O)CO 1458a_100000210174_100000695564 [0,1,0,0,0,1|1,0,1]=4 945 B9R0.1 CN(C)CCNC(=O)CO 240690a_100000210585_100000210174 [0,1,0,0,0,1|1,0,1]=4 946 B9R0.1 CN(C)CCNC(=O)CO 527a_100000210585_100000210174 [0,1,0,0,0,1|1,0,1]=4 947 B9R0.1 CN(CF)CCCC(=O)O 269956a_100000719178_100015361967 [0,1,0,0,0,1|1,0,1]=4 948 B9R0.1 CNC(=O)C/C=C/C(C)C 11a_106832991635_100016292215 [0,1,0,0,0,1|1,0,1]=4 949 B9R0.1 CNC(=O)C/C=C/C(C)C 1626a_100102657272_100016292215 [0,1,0,0,0,1|1,0,1]=4 950 B9R0.1 CNC(=O)C/C=C/C(C)C 240690a_100102657272_100016292215 [0,1,0,0,0,1|1,0,1]=4 951 B9R0.1 CNC(=O)CNCC(=O)O 269956a_100016091260_100000183359 [0,1,0,0,0,1|1,0,1]=4 952 B9R0.1 CNC(=O)NCC=C(C)C 2708a_100000718196_106832991635 [0,1,0,0,0,1|1,0,0]=3 953 B9R0.1 CNC(=O)NCC=C(C)C 2708a_100102657272_100000718196 [0,1,0,0,0,1|1,0,0]=3 954 B9R0.1 CNC(=O)NCC=C(C)C 273464a_100000718196_100102657272 [0,1,0,0,0,1|1,0,0]=3 955 B9R0.1 CNC(=O)NCC=C(C)C 273464a_100102657272_100000718196 [0,1,0,0,0,1|1,0,0]=3 956 B9R0.1 CNC(=O)NCC=C(C)C 512a_100000718196_100102657272 [0,1,0,0,0,1|1,0,0]=3 957 B9R0.1 CNC(=O)NCC=C(C)C 512a_106832991638_100000718196 [0,1,0,0,0,1|1,0,0]=3 958 B9R0.1 COC(=O)/C=C/CN(C)C 2230a_100102631434_100000742655 [0,1,0,0,0,1|1,0,1]=4 959 B9R0.1 COC(=O)/C=C/CN(C)C 269982a_100102631434_100000742655 [0,1,0,0,0,1|1,0,1]=4 960 B9R0.1 COC(=O)CCCC(=O)C 1458a_100000070787_100011218270 [0,1,0,0,0,1|1,0,1]=4 961 B9R0.1 COC(=O)CCCC(=O)C 1458a_100000239890_200000210301 [0,1,0,0,0,1|1,0,1]=4 962 B9R0.1 COC(=O)CCCC(=O)[13CH3] 1458a_100000239890_200025704644 [0,1,0,0,0,1|1,0,1]=4 963 B9R0.1 COC(=O)CCCN(C)C 2230a_100102631434_100011218270 [0,1,0,0,0,1|1,0,1]=4 964 B9R0.1 COC(=O)CCCN(C)C 269982a_100000739225_200000210301 [0,1,0,0,0,1|1,0,1]=4 965 B9R0.1 COC(=O)CCCN(C)C 269982a_100102631434_100011218270 [0,1,0,0,0,1|1,0,1]=4 966 B9R0.1 COC(=O)CCCN(C)[13CH3] 269982a_100000739225_200025704644 [0,1,0,0,0,1|1,0,1]=4 967 B9R0.1 COC(=O)CCNC(=O)C 188690a_100000683876_100015343762 [0,1,0,0,0,1|1,0,1]=4 968 B9R0.1 COC(=O)CCNC(C)C 2230a_100138425928_100000204255 [0,1,0,0,0,1|0,0,2]=4 969 B9R0.1 COC(=O)CCNC(C)C 34a_100138425928_100000742370 [0,1,0,0,0,1|0,0,2]=4 970 B9R0.1 COC(=O)CCOC(C)C 34a_100000212225_100000742370 [0,1,0,0,0,1|0,0,2]=4 971 B9R0.1 COC(=O)CCSC(C)C 62a_100000204255_100000210206 [0,1,0,0,0,1|0,0,2]=4 972 B9R0.1 COC(=O)CCSC(C)C 62a_100000210206_100000204255 [0,1,0,0,0,1|0,0,2]=4 973 B9R0.1 COC(=O)CNCC(=O)O 269956a_100016091260_100000747449 [0,1,0,0,0,1|1,0,1]=4 974 B9R0.1 COC(=O)CNCC(C)C 2230a_100000210953_100000747449 [0,1,0,0,0,1|0,0,2]=4 975 B9R0.1 COC(=O)CNCC(C)C 34a_100000210953_100000747449 [0,1,0,0,0,1|0,0,2]=4 976 B9R0.1 COC(=O)COCC(=O)C 34a_100000211253_100000747449 [0,1,0,0,0,1|1,0,1]=4 977 B9R0.1 COC(=O)COCC(C)C 34a_100000210257_100000747449 [0,1,0,0,0,1|0,0,2]=4 978 B9R0.1 COC(=O)CSCC(=O)C 1458a_100000191316_200000210301 [0,1,0,0,0,1|1,0,1]=4 979 B9R0.1 COC(=O)CSCC(=O)[13CH3] 1458a_100000191316_200025704644 [0,1,0,0,0,1|1,0,1]=4 980 B9R0.1 COC(=O)CSCC(C)C 62a_100000210624_100000747449 [0,1,0,0,0,1|0,0,2]=4 981 B9R0.1 COC(=O)CSCC(C)C 62a_100000747449_100000210760 [0,1,0,0,0,1|0,0,2]=4 982 B9R0.1 COC(=O)OCSC(C)C 62a_100000210206_100000139417 [0,1,0,0,0,1|1,0,1]=4 983 B9R0.1 COC(C)CCC=C(C)C 34a_100102619829_200000210301 [0,1,0,0,0,1|1,0,1]=4 984 B9R0.1 COC(C)CCC=C(C)C 7a_100102619829_200000210301 [0,1,0,0,0,1|1,0,1]=4 985 B9R0.1 COC(C)NOCC(=O)O 269956a_100000106656_100009879195 [0,1,0,0,0,1|1,0,1]=4 986 B9R0.1 COC(C)SCC=C(C)C 62a_100000761012_100009879195 [0,1,0,0,0,1|1,0,1]=4 987 B9R0.1 COC(C)SCC=C(C)C 62a_100009879195_100000761012 [0,1,0,0,0,1|1,0,1]=4 988 B9R0.1 C[C@@H](CO)CNCC(=O)O 269956a_100016091260_100000059175 [0,1,0,0,0,1|0,0,2]=4 989 B9R0.1 C[C@H](CO)NOCC(=O)O 269956a_100000106656_100016084084 [0,1,0,0,0,1|1,0,1]=4 990 B9R0.1 O=C(CO)CCC=C(F)F 1458a_100000210174_200009816681 [0,1,0,0,0,1|2,0,0]=4 991 B9R0.7 C=C(C)C(=O)CC=C(C)C 1458a_100000185857_100000761012 [0,1,0,0,0,1|2,0,0]=4 992 B9R0.7 C=C(C)C(=O)NCC(=O)C 1458a_100000076187_200000210301 [0,1,0,0,0,1|1,0,1]=4 993 B9R0.7 C=C(C)C(=O)NCC(=O)N 11a_100000711301_100000185857 [0,1,0,0,0,1|1,0,1]=4 994 B9R0.7 C=C(C)C(=O)NCC(=O)[13CH3] 1458a_100000076187_200025704644 [0,1,0,0,0,1|1,0,1]=4 995 B9R0.7 C=C(C)CN[C@@H](C)C(=O)O 269956a_100000743915_100000748629 [0,1,0,0,0,1|0,0,2]=4 996 B9R0.7 CC(=CCC(=O)C(O)O)C 1458a_100000233687_100000761012 [0,1,0,0,0,1|0,0,2]=4 997 B9R0.7 CC(=CCC(=O)[C@@H](C)O)C 1458a_100000717761_100000761012 [0,1,0,0,0,1|1,0,1]=4 998 B9R0.7 CC(=CCC(=O)[C@H](C)O)C 1458a_217856618621_100000761012 [0,1,0,0,0,1|1,0,1]=4 999 B9R0.7 CC(=O)C(C)NCC(=O)O 269956a_100016091260_100009814033 [0,1,0,0,0,1|1,0,1]=4 1000 B9R0.7 CC(=O)CCC(=O)N(C)C 1458a_100011200748_200000210301 [0,1,0,0,0,1|2,0,0]=4 1001 B9R0.7 CC(=O)CNC(=O)C(C)C 1458a_100000194582_200000210301 [0,1,0,0,0,1|1,0,1]=4 1002 B9R0.7 CC(=O)COC(=O)C(C)C 1458a_100000070787_100000139345 [0,1,0,0,0,1|1,0,1]=4 1003 B9R0.7 CC(=O)CSC(=S)N(C)C 1458a_100000016564_200000210301 [0,1,0,0,0,1|2,0,0]=4 1004 B9R0.7 CC(=O)NCC(=O)C(C)C 1458a_100000194580_100000210206 [0,1,0,0,0,1|1,0,1]=4 1005 B9R0.7 CC(=O)NCC(=O)N(C)C 11a_100015183351_100015343762 [0,1,0,0,0,1|2,0,0]=4 1006 B9R0.7 CC(=O)NCC(=O)N(C)C 11a_100102631434_100000194580 [0,1,0,0,0,1|2,0,0]=4 1007 B9R0.7 CC(=O)NCC(=O)N(C)C 1626a_100102631434_100000194580 [0,1,0,0,0,1|2,0,0]=4 1008 B9R0.7 CC(=O)NCC(=O)N(C)C 240690a_100015183351_100015343762 [0,1,0,0,0,1|2,0,0]=4 1009 B9R0.7 CC(=O)NCC(=O)N(C)C 240690a_100102631434_100000194580 [0,1,0,0,0,1|2,0,0]=4 1010 B9R0.7 CC(=O)NCC(=O)N(C)C 527a_100015183351_100103153847 [0,1,0,0,0,1|2,0,0]=4 1011 B9R0.7 CC(=O)NCC(=O)N(C)C 527a_100102631434_100000194580 [0,1,0,0,0,1|2,0,0]=4 1012 B9R0.7 CC(=O)OCC(=O)C(C)C 1458a_100000183556_100000210206 [0,1,0,0,0,1|1,0,1]=4 1013 B9R0.7 CC(=O)OCC(=O)N(C)C 1626a_100102631434_100000183556 [0,1,0,0,0,1|2,0,0]=4 1014 B9R0.7 CC(=O)OCC(=O)N(C)C 240690a_100102631434_100000183556 [0,1,0,0,0,1|2,0,0]=4 1015 B9R0.7 CC(=O)OCC(=O)N(C)C 527a_100102631434_100000183556 [0,1,0,0,0,1|2,0,0]=4 1016 B9R0.7 CC(=O)SCC(=O)C(C)C 1458a_100000049016_100000210206 [0,1,0,0,0,1|1,0,1]=4 1017 B9R0.7 CC(=O)SCC(=O)N(C)C 11a_100102631434_100000049016 [0,1,0,0,0,1|2,0,0]=4 1018 B9R0.7 CC(=O)SCC(=O)N(C)C 1626a_100102631434_100000049016 [0,1,0,0,0,1|2,0,0]=4 1019 B9R0.7 CC(=O)SCC(=O)N(C)C 240690a_100102631434_100000049016 [0,1,0,0,0,1|2,0,0]=4 1020 B9R0.7 CC(C)C(=O)CCC(=O)N 1458a_100011215257_100000210206 [0,1,0,0,0,1|1,0,1]=4 1021 B9R0.7 CC(C)C(=O)CNC(=O)N 1458a_100000184981_100000210206 [0,1,0,0,0,1|1,0,1]=4 1022 B9R0.7 CC(C)C(=O)NCC(=O)N 11a_100000711301_100000210198 [0,1,0,0,0,1|1,0,1]=4 1023 B9R0.7 CC(C)C(=O)NCC(=O)N 240690a_100000711301_100000210198 [0,1,0,0,0,1|1,0,1]=4 1024 B9R0.7 CC(C)C(=O)NCC(=O)N 527a_100000711301_100000210198 [0,1,0,0,0,1|1,0,1]=4 1025 B9R0.7 CC(C)C(=O)NCC(=O)[13CH3] 1458a_100000194582_200025704644 [0,1,0,0,0,1|1,0,1]=4 1026 B9R0.7 CC(C)CN[C@@H](C)C(=O)O 269956a_100000743915_100000210760 [0,1,0,0,0,1|0,0,2]=4 1027 B9R0.7 CC(C)NCC(C)C(=O)O 269956a_100000749485_100000210206 [0,1,0,0,0,1|0,0,2]=4 1028 B9R0.7 CC(C)NCC(F)C(=O)O 269956a_100000084737_100000210206 [0,1,0,0,0,1|0,0,2]=4 1029 B9R0.7 CN(C)C(=O)CCC(=O)N 240690a_100102631434_100011215257 [0,1,0,0,0,1|2,0,0]=4 1030 B9R0.7 CN(C)C(=O)CCC(=O)N 527a_100102631434_100011215257 [0,1,0,0,0,1|2,0,0]=4 1031 B9R0.7 CN(C)C(=O)CCC(=O)[13CH3] 1458a_100011200748_200025704644 [0,1,0,0,0,1|2,0,0]=4 1032 B9R0.7 CN(C)C(=O)CNC(=O)N 240690a_100102631434_100000184981 [0,1,0,0,0,1|2,0,0]=4 1033 B9R0.7 CN(C)C(=O)CNC(=O)N 527a_100102631434_100000184981 [0,1,0,0,0,1|2,0,0]=4 1034 B9R0.7 CN(C)C(=O)CSC(=O)N 240690a_100102631434_200015941356 [0,1,0,0,0,1|2,0,0]=4 1035 B9R0.7 CN(C)C(=S)SCC(=O)[13CH3] 1458a_100000016564_200025704644 [0,1,0,0,0,1|2,0,0]=4 1036 B9R0.53 C=C(C)CC(=O)C=C(C)C 1458a_100000211388_100000748629 [0,1,0,0,0,1|2,0,0]=4 1037 B9R0.53 C=C(C)CC(=O)CC(=O)N 1458a_100134613110_100000748629 [0,1,0,0,0,1|1,0,1]=4 1038 B9R0.53 C=C(C)CN(C)CC(=O)O 269956a_100000746989_100000748629 [0,1,0,0,0,1|0,0,2]=4 1039 B9R0.53 C=C(F)CC(=O)C=C(C)C 1458a_100000211388_100009893438 [0,1,0,0,0,1|2,0,0]=4 1040 B9R0.53 CC(=CC(=O)CC(=O)N)C 1458a_100000211388_100000187820 [0,1,0,0,0,1|1,0,0]=3 1041 B9R0.53 CC(=CC(=O)CC(=O)N)Cl 1458a_200042562850_100000187820 [0,1,0,0,0,1|2,0,0]=4 1042 B9R0.53 CC(=CC(=O)CC(=O)N)I 1458a_100025716642_100000187820 [0,1,0,0,0,1|2,0,0]=4 1043 B9R0.53 CC(=CC(=O)CC(=O)[O-])C 1458a_100000211388_100020667443 [0,1,0,0,0,1|0,0,1]=3 1044 B9R0.53 CC(=CC(=O)CC(=O)[O-])Cl 1458a_200042562850_100020667443 [0,1,0,0,0,1|1,0,1]=4 1045 B9R0.53 CC(=CC(=O)CC(=O)[O-])I 1458a_100025716642_100020667443 [0,1,0,0,0,1|1,0,1]=4 1046 B9R0.53 CC(=CC(=O)CC(C)O)C 1458a_100000211388_100011218427 [0,1,0,0,0,1|1,0,1]=4 1047 B9R0.53 CC(=CC(=O)C[N+](=O)[O-])C 1458a_100000211388_100000761209 [0,1,0,0,0,1|1,0,1]=4 1048 B9R0.53 CC(=O)CC(=O)NC(=O)C 1458a_100000070787_100000183797 [0,1,0,0,0,1|2,0,0]=4 1049 B9R0.53 CC(=O)CC(=O)NC(C)C 1458a_100000070787_100000183996 [0,1,0,0,0,1|1,0,1]=4 1050 B9R0.53 CC(=O)CC(=O)OC(C)C 1458a_100000070787_100011215430 [0,1,0,0,0,1|1,0,1]=4 1051 B9R0.53 CC(C)CC(=O)CC(=O)N 1458a_100000210554_100000187820 [0,1,0,0,0,1|1,0,1]=4 1052 B9R0.53 CC(C)CC(=O)CC(=O)N 1458a_100134613110_100000210624 [0,1,0,0,0,1|1,0,1]=4 1053 B9R0.53 CC(C)CC(=O)CC(=O)[O-] 1458a_100000210554_100020667443 [0,1,0,0,0,1|0,0,2]=4 1054 B9R0.53 CC(C)CN(C)CC(=O)O 269956a_100000746989_100000210760 [0,1,0,0,0,1|0,0,2]=4 1055 B9R0.53 CC(C)NC(=O)CC(=O)N 240690a_100138425928_100134613110 [0,1,0,0,0,1|1,0,1]=4 1056 B9R0.53 CC(C)NC(=O)CC(=O)N 527a_100138425928_100134613110 [0,1,0,0,0,1|1,0,1]=4 1057 B9R0.53 CN(C)CC(=O)CC(=O)N 1458a_100000750896_100000187820 [0,1,0,0,0,1|2,0,0]=4 1058 B9R0.53 CN(C)CC(=O)CC(=O)[O-] 1458a_100000750896_100020667443 [0,1,0,0,0,1|1,0,1]=4 1059 B9R0.53 C[S+](C)CC(=O)CC(=O)N 1458a_200159257847_100000187820 [0,1,0,0,0,1|2,0,0]=4 1060 B9R0.53 C[S+](C)CC(=O)CC(=O)[O-] 1458a_200159257847_100020667443 [0,1,0,0,0,1|1,0,1]=4 1061 B9R0.56 CC(=CCNS(=O)(=O)C)C 40a_100000718196_100000738038 [0,1,0,0,0,1|1,0,1]=4 1062 B9R0.56 CC(C)(C)CNCC(=O)O 269956a_100016091260_100011219605 [0,1,0,0,0,1|0,0,2]=4 1063 B9R0.56 CC(C)(C)NOCC(=O)O 269956a_100000106656_100000211941 [0,1,0,0,0,1|1,0,1]=4 1064 B9R0.56 CC(C)(F)CNCC(=O)O 269956a_100016091260_100011997219 [0,1,0,0,0,1|0,0,2]=4 1065 B9R0.56 CC(C)(O)CNCC(=O)O 269956a_100016091260_100000764493 [0,1,0,0,0,1|0,0,2]=4 1066 B9R0.56 C[N+](C)(C)CNCC(=O)O 269956a_100016091260_200000036245 [0,1,0,0,0,1|1,0,1]=4 1067 B9R0.56 C[Si](C)(C)CNCC(=O)O 269956a_100016091260_100000037933 [0,1,0,0,0,1|0,1,1]=4 1068 B9R0.21 CC(C)(C)CCC(=O)CO 1458a_100000210174_100000755188 [0,2,0,0,0,0|0,0,2]=4 1069 B9R0.21 COC(=O)CNC(C)(C)C 2230a_100000715429_100000747449 [0,2,0,0,0,0|1,0,1]=4 1070 B9R0.21 COC(=O)COC(C)(C)C 34a_100015890283_100000747449 [0,2,0,0,0,0|1,0,1]=4 1071 B9R0.21 COC(=O)COC(C)(C)C 7a_100015890283_100000747449 [0,2,0,0,0,0|1,0,1]=4 1072 B9R0.21 COC(=O)CSC(C)(C)C 62a_100000211941_100000747449 [0,2,0,0,0,0|1,0,1]=4 1073 B9R0.21 COC(=O)CSC(C)(C)C 62a_100000747449_100000211941 [0,2,0,0,0,0|1,0,1]=4 1074 B9R0.21 C[N+](C)(C)CCC(=O)CO 1458a_100000210174_100000085578 [0,2,0,0,0,0|1,0,1]=4 1075 B9R0.21 C[Si](C)(C)CCC(=O)CO 1458a_100000210174_200000733723 [0,2,0,0,0,0|0,1,1]=4 1076 B9R0.23 C/C=C(\C)/C(=O)CC(=O)N 1458a_100020587367_100000187820 [0,2,0,0,0,0|1,0,0]=3 1077 B9R0.23 C/C=C(\C)/C(=O)CC(=O)[O-] 1458a_100020587367_100020667443 [0,2,0,0,0,0|0,0,1]=3 1078 B9R0.23 C/C=C(\C)/C(=O)CC(C)O 1458a_100020587367_100011218427 [0,2,0,0,0,0|1,0,1]=4 1079 B9R0.23 C/C=C(\C)/C(=O)C[N+](=O)[O-] 1458a_100020587367_100000761209 [0,2,0,0,0,0|1,0,1]=4 1080 B9R0.23 C=C(C)CC(=O)/C(=C/C)/C 1458a_100020587367_100000748629 [0,2,0,0,0,0|2,0,0]=4 1081 B9R0.23 C=C(F)CC(=O)/C(=C/C)/C 1458a_100020587367_100009893438 [0,2,0,0,0,0|2,0,0]=4 1082 B9R0.23 CC(=O)OC(C)C(=O)CO 1458a_100000210174_100009818208 [0,2,0,0,0,0|2,0,0]=4 1083 B9R0.23 CC(C)CC(C)C(=O)CO 1458a_100000210174_100000731052 [0,2,0,0,0,0|0,0,2]=4 1084 B9R0.23 CCC(C)C(=O)CC(=O)N 1458a_100011192722_100000187820 [0,2,0,0,0,0|1,0,1]=4 1085 B9R0.23 CCC(C)C(=O)CC(=O)N 1458a_100134613110_100000758301 [0,2,0,0,0,0|1,0,1]=4 1086 B9R0.23 CCC(C)C(=O)CC(=O)[O-] 1458a_100011192722_100020667443 [0,2,0,0,0,0|0,0,2]=4 1087 B9R0.23 CCC(C)N(C)CC(=O)O 269956a_100000746989_100000758301 [0,2,0,0,0,0|1,0,1]=4 1088 B9R0.23 CCN(C)C(=O)CC(=O)C 1458a_100000070787_100011894763 [0,2,0,0,0,0|2,0,0]=4 1089 B9R0.23 CCN(C)C(=O)CC(=O)N 240690a_100000225621_100134613110 [0,2,0,0,0,0|2,0,0]=4 1090 B9R0.23 CCN(C)C(=O)CC(=O)N 527a_100000225621_100134613110 [0,2,0,0,0,0|2,0,0]=4 1091 B9R0.23 CNC(=O)C(=O)CC(=O)N 1458a_100011218921_100000187820 [0,2,0,0,0,0|2,0,0]=4 1092 B9R0.23 CNC(=O)C(=O)CC(=O)[O-] 1458a_100011218921_100020667443 [0,2,0,0,0,0|1,0,1]=4 1093 B9R0.23 COC(=O)C(C)CN(C)C 269982a_100102631434_100000698445 [0,2,0,0,0,0|1,0,1]=4 1094 B9R0.23 COC(=O)C(C)NC(C)C 2230a_100138425928_100000211248 [0,2,0,0,0,0|1,0,1]=4 1095 B9R0.23 COC(=O)C(C)NC(C)C 34a_100138425928_100000211248 [0,2,0,0,0,0|1,0,1]=4 1096 B9R0.23 COC(=O)C(C)OC(C)C 34a_100000212225_100000211248 [0,2,0,0,0,0|1,0,1]=4 1097 B9R0.23 COC(=O)C(C)OC(C)C 34a_100011215400_100000210206 [0,2,0,0,0,0|1,0,1]=4 1098 B9R0.23 COC(=O)C(C)SC(C)C 62a_100000210206_100000211248 [0,2,0,0,0,0|1,0,1]=4 1099 B9R0.23 COC(=O)C(C)SC(C)C 62a_100000211248_100000210206 [0,2,0,0,0,0|1,0,1]=4 1100 B9R0.23 COC(=O)[C@@H](C)NC(=O)C 188690a_100000687819_100015343762 [0,2,0,0,0,0|2,0,0]=4 1101 B9R0.23 COC(C)C(=O)CC(=O)N 1458a_100000743197_100000187820 [0,2,0,0,0,0|1,0,1]=4 1102 B9R0.23 COC(C)C(=O)CC(=O)[O-] 1458a_100000743197_100020667443 [0,2,0,0,0,0|0,0,2]=4 1103 B9R0.23 COC(C)N(C)CC(=O)O 269956a_100000746989_100009879195 [0,2,0,0,0,0|1,0,1]=4 1104 B9R0.23 CON(C)C(=O)CC(=O)C 1458a_100000070787_100000764215 [0,2,0,0,0,0|2,0,0]=4 1105 B9R0.23 CSC(C)C(=O)CC(=O)N 1458a_100000149566_100000187820 [0,2,0,0,0,0|1,0,1]=4 1106 B9R0.23 CSC(C)C(=O)CC(=O)[O-] 1458a_100000149566_100020667443 [0,2,0,0,0,0|0,0,2]=4 1107 B9R0.23 C[C@H](CO)N(C)CC(=O)O 269956a_100000746989_100016084084 [0,2,0,0,0,0|1,0,1]=4 1108 B9R0.24 CC=C(C)C=CC(=O)CC 1458a_100000692105_100000210202 [0,2,0,0,0,0|1,0,1]=4 1109 B9R0.24 CC=C(C)C=CC(=O)CF 1458a_100000692105_100015361967 [0,2,0,0,0,0|1,0,1]=4 1110 B9R0.24 CC=C(C)C=CC(=O)NC 1626a_100102657272_100000692105 [0,2,0,0,0,0|1,0,1]=4 1111 B9R0.24 CCC(=O)CCC(=O)OC 1458a_100000187943_100000210202 [0,2,0,0,0,0|1,0,1]=4 1112 B9R0.24 CCC(=O)NCC(=O)OC 188690a_100000185156_100000210414 [0,2,0,0,0,0|2,0,0]=4 1113 B9R0.24 CCC(C)NCC(=O)OC 2230a_100000209981_100000747449 [0,2,0,0,0,0|1,0,1]=4 1114 B9R0.24 CCC(C)OCC(=O)OC 7a_100000210228_100000747449 [0,2,0,0,0,0|1,0,1]=4 1115 B9R0.24 CCC(C)SCC(=O)OC 62a_100000747449_100000758301 [0,2,0,0,0,0|1,0,1]=4 1116 B9R0.24 CCC(C)SCC(=O)OC 62a_100000758301_100000747449 [0,2,0,0,0,0|1,0,1]=4 1117 B9R0.24 CCN(C)CCC(=O)OC 2230a_100000225621_100000204255 [0,2,0,0,0,0|1,0,1]=4 1118 B9R0.24 CCN(C)CCC(=O)OC 2230a_100000229097_200000210301 [0,2,0,0,0,0|1,0,1]=4 1119 B9R0.24 CCN(C)CCC(=O)OC 269982a_100000225621_100000204255 [0,2,0,0,0,0|1,0,1]=4 1120 B9R0.24 CCN(C)CCC(=O)OC 269982a_100000229097_200000210301 [0,2,0,0,0,0|1,0,1]=4 1121 B9R0.24 CCN(C)CCC(=O)OC 269982a_100025711912_100000204670 [0,2,0,0,0,0|1,0,1]=4 1122 B9R0.24 CCN([13CH3])CCC(=O)OC 2230a_100000229097_200025704644 [0,2,0,0,0,0|1,0,1]=4 1123 B9R0.24 CCN([13CH3])CCC(=O)OC 269982a_100000229097_200025704644 [0,2,0,0,0,0|1,0,1]=4 1124 B9R0.24 CNC(=O)C=CC(=O)OC 1626a_100102657272_100016283253 [0,2,0,0,0,0|1,0,1]=4 1125 B9R0.24 CNC(=O)CCC(=O)OC 11a_106832991635_100000187943 [0,2,0,0,0,0|1,0,1]=4 1126 B9R0.24 CNC(=O)CCC(=O)OC 1626a_100102657272_100000187943 [0,2,0,0,0,0|1,0,1]=4 1127 B9R0.24 CNC(=O)CCC(=O)OC 240690a_100102657272_100000187943 [0,2,0,0,0,0|1,0,1]=4 1128 B9R0.24 CNC(=O)CCC(=O)OC 527a_100102657272_100000187943 [0,2,0,0,0,0|1,0,1]=4 1129 B9R0.24 COC(=O)CCC(=O)CF 1458a_100000187943_100015361967 [0,2,0,0,0,0|1,0,1]=4 1130 B9R0.24 COC(=O)CCN(C)CF 269982a_100025711912_100015361967 [0,2,0,0,0,0|1,0,1]=4 1131 B9R0.24 COC(=O)CNC(=O)CO 188690a_100000185156_100000210174 [0,2,0,0,0,0|2,0,0]=4 1132 B9R0.24 COC(=O)CN[C@H](C)CO 2230a_100000737577_100000747449 [0,2,0,0,0,0|1,0,1]=4 1133 B9R0.24 COC(=O)COC(C)CF 34a_100016041109_100000747449 [0,2,0,0,0,0|1,0,1]=4 1134 B9R0.24 COC(=O)COC(C)CF 7a_100016041109_100000747449 [0,2,0,0,0,0|1,0,1]=4 1135 B9R0.24 COC(=O)COC(C)CN 34a_100000210904_100000747449 [0,2,0,0,0,0|1,0,1]=4 1136 B9R0.24 COC(=O)CSC(C)CO 62a_100012180447_100000747449 [0,2,0,0,0,0|1,0,1]=4 1137 B9R0.24 COC(=O)CSC(C)OC 62a_100000747449_100009879195 [0,2,0,0,0,0|1,0,1]=4 1138 B9R0.24 COC(=O)CSC(C)OC 62a_100009879195_100000747449 [0,2,0,0,0,0|1,0,1]=4 1139 B9R0.24 COC(=O)CS[C@H](C)CO 62a_100000747449_100016084084 [0,2,0,0,0,0|1,0,1]=4 1140 B9R0.24 COC(=O)CS[C@H](C)CO 62a_100016084084_100000747449 [0,2,0,0,0,0|1,0,1]=4 1141 B9R0.42 C#CC(=O)CC(=O)C(=O)C 1458a_100000211873_100011261029 [0,2,0,0,0,0|2,0,0]=4 1142 B9R0.42 C#CC(=O)CC(=O)C(C)C 1458a_100000211873_100000753385 [0,2,0,0,0,0|1,0,1]=4 1143 B9R0.42 C#CC(=O)CC(=O)N(C)C 1458a_100000211873_100000185267 [0,2,0,0,0,0|2,0,0]=4 1144 B9R0.42 C=C(C)C(=O)CC(=O)CC 1458a_100000185857_100000747405 [0,2,0,0,0,0|1,0,1]=4 1145 B9R0.42 C=C(C)C(=O)CC(=O)NC 1458a_100000185857_100000183359 [0,2,0,0,0,0|1,0,1]=4 1146 B9R0.42 C=C(C)C(=O)CC(=O)OC 1458a_100000185857_100000747449 [0,2,0,0,0,0|0,0,1]=3 1147 B9R0.42 C=CC(=O)CC(=O)C(=O)C 1458a_100000185746_100011261029 [0,2,0,0,0,0|2,0,0]=4 1148 B9R0.42 C=CC(=O)CC(=O)C(C)C 1458a_100000185746_100000753385 [0,2,0,0,0,0|1,0,1]=4 1149 B9R0.42 C=CC(=O)CC(=O)N(C)C 1458a_100000185746_100000185267 [0,2,0,0,0,0|2,0,0]=4 1150 B9R0.42 CC(=O)C(=O)CC(=O)CO 1458a_100000210174_100011261029 [0,2,0,0,0,0|1,0,0]=3 1151 B9R0.42 CC(C)C(=O)CC(=O)CO 1458a_100000210174_100000753385 [0,2,0,0,0,0|0,0,1]=3 1152 B9R0.42 CCC(=O)CC(=O)C(=O)C 1458a_100000210414_100011261029 [0,2,0,0,0,0|2,0,0]=4 1153 B9R0.42 CCC(=O)CC(=O)C(C)C 1458a_100000210198_100000747405 [0,2,0,0,0,0|1,0,1]=4 1154 B9R0.42 CCC(=O)CC(=O)C(C)C 1458a_100000210414_100000753385 [0,2,0,0,0,0|1,0,1]=4 1155 B9R0.42 CCC(=O)CC(=O)N(C)C 1458a_100000210414_100000185267 [0,2,0,0,0,0|2,0,0]=4 1156 B9R0.42 CCC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000758301 [0,2,0,0,0,0|1,0,1]=4 1157 B9R0.42 CN(C)C(=O)CC(=O)CO 1458a_100000210174_100000185267 [0,2,0,0,0,0|1,0,0]=3 1158 B9R0.42 CNC(=O)CC(=O)C(C)C 1458a_100000210198_100000183359 [0,2,0,0,0,0|1,0,1]=4 1159 B9R0.42 COC(=O)CC(=O)C(C)C 1458a_100000210198_100000747449 [0,2,0,0,0,0|0,0,1]=3 1160 B9R0.42 COC(=O)CC(=O)C(C)C 1458a_100000211351_100000210206 [0,2,0,0,0,0|0,0,1]=3 1161 B9R0.42 COC(=O)CC(=O)C(C)F 1458a_100000062450_100000747449 [0,2,0,0,0,0|1,0,1]=4 1162 B9R0.42 COC(=O)CC(=O)N(C)C 240690a_100102631434_100000211351 [0,2,0,0,0,0|1,0,0]=3 1163 B9R0.42 COC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_100000747449 [0,2,0,0,0,0|1,0,1]=4 1164 B9R0.42 COC(=O)CC(=O)[C@H](C)O 1458a_217856618621_100000747449 [0,2,0,0,0,0|1,0,1]=4 1165 B9R0.42 COC(=O)CC(C)C(=O)C 1458a_100000037256_200000210301 [0,2,0,0,0,0|1,0,1]=4 1166 B9R0.42 COC(=O)CC(C)C(=O)[13CH3] 1458a_100000037256_200025704644 [0,2,0,0,0,0|1,0,1]=4 1167 B9R0.42 COC(=O)CC(C)N(C)C 2230a_100102631434_100009817358 [0,2,0,0,0,0|1,0,1]=4 1168 B9R0.42 COC(=O)CC(C)N(C)C 269982a_100102631434_100009817358 [0,2,0,0,0,0|1,0,1]=4 1169 B9R0.42 COC(=O)CN(C)C(=O)C 11a_100000198492_100015343762 [0,2,0,0,0,0|2,0,0]=4 1170 B9R0.42 COC(=O)CN(C)C(=O)C 1626a_100000198492_100015343762 [0,2,0,0,0,0|2,0,0]=4 1171 B9R0.42 COC(=O)CN(C)C(=O)C 240690a_100000198492_100015343762 [0,2,0,0,0,0|2,0,0]=4 1172 B9R0.42 COC(=O)CN(C)C(=O)C 527a_100000198492_100103153847 [0,2,0,0,0,0|2,0,0]=4 1173 B9R0.42 COC(=O)CN(C)C(C)C 2230a_100000198492_100000210206 [0,2,0,0,0,0|1,0,1]=4 1174 B9R0.42 COC(=O)CN(C)C(C)C 269982a_200000211004_100000747449 [0,2,0,0,0,0|1,0,1]=4 1175 B9R0.42 COC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100009879195 [0,2,0,0,0,0|1,0,1]=4 1176 B9R0.42 C[C@H](CO)N[C@@H](C)C(=O)O 269956a_100000743915_100016084084 [0,2,0,0,0,0|1,0,1]=4 1177 B9R0.43 CCC(CC)NCC(=O)O 269956a_100016091260_100000210505 [0,2,0,0,0,0|1,0,1]=4 1178 B9R0.48 C#CCC(=O)CC=C(C)C 1458a_100011220946_100000761012 [0,2,0,0,0,0|1,0,0]=3 1179 B9R0.48 C#CCC(=O)CC=C(C)C 1458a_100011220947_100000184674 [0,2,0,0,0,0|1,0,0]=3 1180 B9R0.48 C=C(C)CCC(=O)CCO 1458a_100011216618_100000730704 [0,2,0,0,0,0|0,0,2]=4 1181 B9R0.48 C=C(C)CCC(=O)CCO 1458a_200000688413_100000211926 [0,2,0,0,0,0|0,0,2]=4 1182 B9R0.48 C=C(C)CCC(=O)COC 1458a_100000210968_100000730704 [0,2,0,0,0,0|0,0,2]=4 1183 B9R0.48 C=CCC(=O)CC=C(C)C 1458a_100000210193_100000761012 [0,2,0,0,0,0|1,0,0]=3 1184 B9R0.48 C=CCC(=O)CC=C(C)C 1458a_100011220947_100000210623 [0,2,0,0,0,0|1,0,0]=3 1185 B9R0.48 C=COC(=O)CNC(C)C 2230a_100138425928_100000036128 [0,2,0,0,0,0|1,0,1]=4 1186 B9R0.48 C=COC(=O)CNC(C)C 34a_100138425928_100000036128 [0,2,0,0,0,0|1,0,1]=4 1187 B9R0.48 C=COC(=O)COC(C)C 34a_100000212225_100000036128 [0,2,0,0,0,0|1,0,1]=4 1188 B9R0.48 C=COC(=O)CSC(C)C 62a_100000036128_100000210206 [0,2,0,0,0,0|1,0,1]=4 1189 B9R0.48 C=COC(=O)CSC(C)C 62a_100000210206_100000036128 [0,2,0,0,0,0|1,0,1]=4 1190 B9R0.48 CC#CC(=O)CC=C(C)C 1458a_100000763181_100000761012 [0,2,0,0,0,0|1,0,0]=3 1191 B9R0.48 CC(=CCC(=O)C=CBr)C 1458a_100016273825_100000761012 [0,2,0,0,0,0|1,0,0]=3 1192 B9R0.48 CC(=CCC(=O)C=CCl)C 1458a_200016279998_100000761012 [0,2,0,0,0,0|1,0,0]=3 1193 B9R0.48 CC(=CCC(=O)C=CI)C 1458a_100016256311_100000761012 [0,2,0,0,0,0|1,0,0]=3 1194 B9R0.48 CC(=CCC(=O)CC#N)C 1458a_100011220947_100011214920 [0,2,0,0,0,0|1,0,0]=3 1195 B9R0.48 CC(=CCC(=O)CC#N)C 1458a_100051588842_100000761012 [0,2,0,0,0,0|1,0,0]=3 1196 B9R0.48 CC(=CCC(=O)CCF)C 1458a_100011220947_100011217306 [0,2,0,0,0,0|1,0,0]=3 1197 B9R0.48 CC(=CCC(=O)CCO)C 1458a_100011216618_100000761012 [0,2,0,0,0,0|0,0,0]=2 1198 B9R0.48 CC(=CCC(=O)CCO)C 1458a_100011220947_100000211926 [0,2,0,0,0,0|0,0,0]=2 1199 B9R0.48 CC(=CCN(C)CCO)C 2230a_100000210263_100000761012 [0,2,0,0,0,0|2,0,0]=4 1200 B9R0.48 CC(=CCN(C)CCO)C 269982a_100000210263_100000761012 [0,2,0,0,0,0|2,0,0]=4 1201 B9R0.48 CC(=O)NCC(=O)CCO 1458a_100000194580_100000211926 [0,2,0,0,0,0|2,0,0]=4 1202 B9R0.48 CC(=O)OCC(=O)CCO 1458a_100000183556_100000211926 [0,2,0,0,0,0|2,0,0]=4 1203 B9R0.48 CC(=O)SCC(=O)CCO 1458a_100000049016_100000211926 [0,2,0,0,0,0|2,0,0]=4 1204 B9R0.48 CC(C)C=CC(=O)CCO 1458a_100016268746_100000211926 [0,2,0,0,0,0|0,0,2]=4 1205 B9R0.48 CC(C)CCC(=O)CCO 1458a_100000181311_100000211926 [0,2,0,0,0,0|0,0,2]=4 1206 B9R0.48 CC(C)CCC(=O)CCO 1458a_100011216618_100000210312 [0,2,0,0,0,0|0,0,2]=4 1207 B9R0.48 CC(C)NCC(=O)NCO 2230a_100138425928_100000185155 [0,2,0,0,0,0|1,0,1]=4 1208 B9R0.48 CC(C)NCC(=O)NCO 34a_100138425928_100000185155 [0,2,0,0,0,0|1,0,1]=4 1209 B9R0.48 CC(C)OCC(=O)CCO 1458a_100000745533_100000211926 [0,2,0,0,0,0|1,0,1]=4 1210 B9R0.48 CC(C)OCC(=O)NCO 34a_100000212225_100000185155 [0,2,0,0,0,0|1,0,1]=4 1211 B9R0.48 CC(C)SCC(=O)CCO 1458a_100000241585_100000211926 [0,2,0,0,0,0|1,0,1]=4 1212 B9R0.48 CC(C)SCC(=O)NCO 62a_100000185155_100000210206 [0,2,0,0,0,0|1,0,1]=4 1213 B9R0.48 CC(C)SCC(=O)NCO 62a_100000210206_100000185155 [0,2,0,0,0,0|1,0,1]=4 1214 B9R0.48 CC(CC#N)NCC(=O)O 269956a_100016091260_100009813641 [0,2,0,0,0,0|1,0,1]=4 1215 B9R0.48 CC(CCO)NCC(=O)O 269956a_100016091260_100009893172 [0,2,0,0,0,0|1,0,1]=4 1216 B9R0.48 CC=CC(=O)CC=C(C)C 1458a_100000210699_100000761012 [0,2,0,0,0,0|1,0,0]=3 1217 B9R0.48 CCCC(=O)CC=C(C)C 1458a_100000211992_100000761012 [0,2,0,0,0,0|1,0,0]=3 1218 B9R0.48 CCCC(=O)CC=C(C)C 1458a_100011220947_100000210303 [0,2,0,0,0,0|1,0,0]=3 1219 B9R0.48 CCCC(C)NCC(=O)O 269956a_100016091260_100000766640 [0,2,0,0,0,0|1,0,1]=4 1220 B9R0.48 CCNC(=O)CC=C(C)C 11a_100015525214_100011220947 [0,2,0,0,0,0|1,0,0]=3 1221 B9R0.48 CCNC(=O)CC=C(C)C 240690a_100015525214_100011220947 [0,2,0,0,0,0|1,0,0]=3 1222 B9R0.48 CCNC(=O)CC=C(C)C 527a_100015525214_100011220947 [0,2,0,0,0,0|1,0,0]=3 1223 B9R0.48 CCOC(=O)C=CC(=O)C 1458a_100000210415_200000210301 [0,2,0,0,0,0|1,0,1]=4 1224 B9R0.48 CCOC(=O)C=CC(=O)[13CH3] 1458a_100000210415_200025704644 [0,2,0,0,0,0|1,0,1]=4 1225 B9R0.48 CCOC(=O)CCC(=O)C 1458a_100000183558_200000210301 [0,2,0,0,0,0|1,0,1]=4 1226 B9R0.48 CCOC(=O)CCC(=O)[13CH3] 1458a_100000183558_200025704644 [0,2,0,0,0,0|1,0,1]=4 1227 B9R0.48 CCOC(=O)CCN(C)C 2230a_100000745921_200000210301 [0,2,0,0,0,0|1,0,1]=4 1228 B9R0.48 CCOC(=O)CCN(C)C 2230a_100102631434_100011206558 [0,2,0,0,0,0|1,0,1]=4 1229 B9R0.48 CCOC(=O)CCN(C)C 269982a_100000745921_200000210301 [0,2,0,0,0,0|1,0,1]=4 1230 B9R0.48 CCOC(=O)CCN(C)C 269982a_100102631434_100011206558 [0,2,0,0,0,0|1,0,1]=4 1231 B9R0.48 CCOC(=O)CCN(C)[13CH3] 2230a_100000745921_200025704644 [0,2,0,0,0,0|1,0,1]=4 1232 B9R0.48 CCOC(=O)CCN(C)[13CH3] 269982a_100000745921_200025704644 [0,2,0,0,0,0|1,0,1]=4 1233 B9R0.48 CCOC(=O)CNC(=O)C 188690a_100000741813_100015343762 [0,2,0,0,0,0|2,0,0]=4 1234 B9R0.48 CCOC(=O)CNC(C)C 2230a_100138425928_100000188475 [0,2,0,0,0,0|1,0,1]=4 1235 B9R0.48 CCOC(=O)CNC(C)C 34a_100138425928_100000188475 [0,2,0,0,0,0|1,0,1]=4 1236 B9R0.48 CCOC(=O)COC(C)C 34a_100000212225_100000188475 [0,2,0,0,0,0|1,0,1]=4 1237 B9R0.48 CCOC(=O)CSC(C)C 62a_100000188475_100000210206 [0,2,0,0,0,0|1,0,1]=4 1238 B9R0.48 CCOC(=O)CSC(C)C 62a_100000210206_100000188475 [0,2,0,0,0,0|1,0,1]=4 1239 B9R0.48 CNCC(=O)NCC(=O)O 269956a_100000183575_200000210301 [0,2,0,0,0,0|2,0,0]=4 1240 B9R0.48 CNNC(=O)CC=C(C)C 22a_100016993582_100011220947 [0,2,0,0,0,0|1,0,0]=3 1241 B9R0.48 COCC(=O)CC=C(C)C 1458a_100000210968_100000761012 [0,2,0,0,0,0|0,0,0]=2 1242 B9R0.48 COCC(=O)CCC(C)C 1458a_100000210968_100000210312 [0,2,0,0,0,0|0,0,2]=4 1243 B9R0.48 COCC(=O)COC(=O)C 34a_100138415774_100000036994 [0,2,0,0,0,0|2,0,0]=4 1244 B9R0.48 COCC(C)NCC(=O)O 269956a_100016091260_100000765312 [0,2,0,0,0,0|1,0,1]=4 1245 B9R0.48 CSCC(=O)CC=C(C)C 1458a_100000184570_100000761012 [0,2,0,0,0,0|0,1,0]=3 1246 B9R0.48 C[S+](C)CCC(=O)CCO 1458a_100009452791_100000211926 [0,2,0,0,0,0|1,0,1]=4 1247 B9R0.48 [13CH3]NCC(=O)NCC(=O)O 269956a_100000183575_200025704644 [0,2,0,0,0,0|2,0,0]=4 1248 B9R0.64 C#CC(C)(C)NCC(=O)O 269956a_100016091260_100000038118 [0,2,0,0,0,0|1,0,1]=4 1249 B9R0.64 CCC(C)(C)NCC(=O)O 269956a_100016091260_100000032637 [0,2,0,0,0,0|1,0,1]=4 1250 B9R0.10 CC(=O)CC(=O)C(C)(C)C 1458a_100000070787_100000210923 [0,2,0,0,0,0|1,0,1]=4 1251 B9R0.10 CC(C)(C)C(=O)CC(=O)N 1458a_106744555173_100000187820 [0,2,0,0,0,0|1,0,1]=4 1252 B9R0.10 CC(C)(C)C(=O)CC(=O)[O-] 1458a_106744555173_100020667443 [0,2,0,0,0,0|0,0,2]=4 1253 B9R0.10 CC(C)(C)N([13CH3])CC(=O)O 269956a_100000745166_200025704644 [0,2,0,0,0,0|1,0,1]=4 1254 B9R0.10 CC(C)(F)C(=O)CC(=O)N 1458a_100000765255_100000187820 [0,2,0,0,0,0|1,0,1]=4 1255 B9R0.10 CC(C)(F)C(=O)CC(=O)[O-] 1458a_100000765255_100020667443 [0,2,0,0,0,0|0,0,2]=4 1256 B9R0.10 CC(C)(O)C(=O)CC(=O)N 1458a_100000242741_100000187820 [0,2,0,0,0,0|1,0,1]=4 1257 B9R0.10 CC(C)(O)C(=O)CC(=O)[O-] 1458a_100000242741_100020667443 [0,2,0,0,0,0|0,0,2]=4 1258 B9R0.10 CN(CC(=O)O)C(C)(C)C 269956a_100000745166_200000210301 [0,2,0,0,0,0|1,0,1]=4 1259 B9R0.10 CN(CC(=O)O)C(C)(C)C 269956a_100000746989_100000211941 [0,2,0,0,0,0|1,0,1]=4 1260 B9R0.39 C=C[C@H](NC(C)C)C(=O)O 269956a_100016992060_100000210206 [0,2,0,0,0,0|1,0,1]=4 1261 B9R0.39 CC(C)C(CC(=O)O)N[13CH3] 269956a_100000695669_200025704644 [0,2,0,0,0,0|0,0,2]=4 1262 B9R0.39 CC(C)NC(CO)C(=O)O 269956a_100000187304_100000210206 [0,2,0,0,0,0|1,0,1]=4 1263 B9R0.39 CCN(CC(=O)O)C(C)C 269956a_100000746405_100000210206 [0,2,0,0,0,0|1,0,1]=4 1264 B9R0.39 CC[C@@H](NC(C)C)C(=O)O 269956a_100000747097_100000210206 [0,2,0,0,0,0|1,0,1]=4 1265 B9R0.39 CNC(CC(=O)O)C(C)C 269956a_100000695669_200000210301 [0,2,0,0,0,0|0,0,2]=4 1266 B9R0.57 C[C@H](NC(C)(C)C)C(=O)O 269956a_100000743915_100000211941 [0,2,0,0,0,0|1,0,1]=4 1267 B9R0.79 C=C(C)C(=O)C(C)C(=O)C 1458a_100000185857_100000179758 [0,2,0,0,0,0|1,0,1]=4 1268 B9R0.79 C=C(C)C(=O)C(C)C(=O)N 1458a_100000185857_100000702099 [0,2,0,0,0,0|1,0,1]=4 1269 B9R0.79 C=C(C)C(=O)C(F)C(=O)N 1458a_100000185857_100009813875 [0,2,0,0,0,0|1,0,1]=4 1270 B9R0.79 C=C(C)C(=O)C(F)C(=O)[O-] 1458a_100000185857_100020610796 [0,2,0,0,0,0|0,0,2]=4 1271 B9R0.79 CC(=O)C(C)C(=O)C(C)C 1458a_100000070787_100009893295 [0,2,0,0,0,0|1,0,1]=4 1272 B9R0.79 CC(=O)C(C)C(=O)C(C)C 1458a_100000210198_100000179758 [0,2,0,0,0,0|1,0,1]=4 1273 B9R0.79 CC(=O)C(C)C(=O)N(C)C 1458a_100000070787_100000209910 [0,2,0,0,0,0|2,0,0]=4 1274 B9R0.79 CC(C)C(=O)C(C)C(=O)N 1458a_100000210198_100000702099 [0,2,0,0,0,0|1,0,1]=4 1275 B9R0.79 CC(C)C(=O)C(F)C(=O)N 1458a_100000210198_100009813875 [0,2,0,0,0,0|1,0,1]=4 1276 B9R0.79 CC(C)C(=O)C(F)C(=O)[O-] 1458a_100000210198_100020610796 [0,2,0,0,0,0|0,0,2]=4 1277 B9R0.79 CC(C)N(C)C(C)C(=O)O 269956a_100000749554_100000210206 [0,2,0,0,0,0|1,0,1]=4 1278 B7R1.2 Cc1c[nH]c(n1)O 271570a_203496583355_100161115468 [1,0,0,1,0,0|2,0,0]=4 1279 B7R1.2 Cc1ccc(s1)O 271570a_203496583355_100000761539 [1,0,0,1,0,0|0,1,1]=4 1280 B7R1.2 Cc1cnc(s1)O 271570a_203496583355_100000690809 [1,0,0,1,0,0|1,1,0]=4 1281 B7R1.2 Cc1csc(c1)O 271570a_203496583355_100009876951 [1,0,0,1,0,0|1,0,1]=4 1282 B7R1.2 Cc1csc(n1)O 271570a_203496583355_100011291629 [1,0,0,1,0,0|2,0,0]=4 1283 B7R1.7 O=CCNC1CC1 34a_100000212008_200009817547 [1,0,0,1,0,0|1,0,1]=4 1284 B7R1.7 O=CCSC1CC1 62a_200015260668_100000211595 [1,0,0,1,0,0|1,0,1]=4 1285 B9R1.35 CC(=O)C1CC(=NO1)C 1458a_100000763720_200000210301 [0,0,0,1,0,1|2,0,0]=4 1286 B9R1.35 CC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_200000210301 [0,0,0,1,0,1|1,0,1]=4 1287 B9R1.35 CC1=NOC(C1)C(=O)[13CH3] 1458a_100000763720_200025704644 [0,0,0,1,0,1|2,0,0]=4 1288 B9R1.35 [13CH3]C(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_200025704644 [0,0,0,1,0,1|1,0,1]=4 1289 B9R1.53 CN1CC(C1)CC(=O)O 269956a_100016993960_200000210301 [0,0,0,1,0,1|1,0,1]=4 1290 B9R1.53 [13CH3]N1CC(C1)CC(=O)O 269956a_100016993960_200025704644 [0,0,0,1,0,1|1,0,1]=4 1291 B9R1.85 O=C(O)CNCC1CC1 269956a_100016091260_100000742324 [0,0,0,1,0,1|0,0,2]=4 1292 B9R1.85 O=C(O)CONC1CC1 269956a_100000106656_100000211595 [0,0,0,1,0,1|1,0,1]=4 1293 B9R1.69 Cc1c[nH]c(=O)c(n1)O 271570a_203496583355_100009858157 [0,1,0,1,0,0|2,0,0]=4 1294 B9R1.69 Cc1ccc(cc1C)O 271570a_203496583355_100011215607 [0,1,0,1,0,0|1,0,1]=4 1295 B9R1.69 Cc1ccc(nc1C)O 271570a_203496583355_100000103781 [0,1,0,1,0,0|1,0,1]=4 1296 B9R1.69 Cc1cnc(cc1C)O 271570a_203496583355_100009850809 [0,1,0,1,0,0|2,0,0]=4 1297 B9R1.80 COC(=O)CNC1CC1 34a_100000212008_100000747449 [0,1,0,1,0,0|1,0,1]=4 1298 B9R1.80 COC(=O)CSC1CC1 62a_100000747449_100000211595 [0,1,0,1,0,0|1,0,1]=4 1299 B9R1.80 O=C(CO)CCC1CC1 1458a_100000210174_100000694398 [0,1,0,1,0,0|0,0,2]=4 1300 B9R1.82 COC(=O)C1CN(C1)C 269982a_100015188540_200000210301 [0,1,0,1,0,0|1,0,1]=4 1301 B9R1.82 COC(=O)C1CN(C1)[13CH3] 269982a_100015188540_200025704644 [0,1,0,1,0,0|1,0,1]=4 1302 B9R1.84 O=C(O)CNC1CCC1 269956a_100016091260_100000749161 [0,1,0,1,0,0|1,0,1]=4 1303 B9R1.84 O=C(O)CNC1COC1 269956a_100016091260_100009818527 [0,1,0,1,0,0|1,0,1]=4 1304 B9R1.95 CN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_200000210301 [0,1,0,1,0,0|0,0,2]=4 1305 B9R1.95 [13CH3]N[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_200025704644 [0,1,0,1,0,0|0,0,2]=4 1306 B9R1.112 C[C@H](NC1CC1)C(=O)O 269956a_100000743915_100000211595 [0,1,0,1,0,0|1,0,1]=4 1307 B9R1.137 CC(=O)CC(=O)C1CC1 1458a_100000070787_100000746382 [0,1,0,1,0,0|1,0,1]=4 1308 B9R1.137 CN(CC(=O)O)C1CC1 269956a_100000746989_100000211595 [0,1,0,1,0,0|1,0,1]=4 1309 B9R1.137 NC(=O)CC(=O)C1CC1 1458a_100000210395_100000187820 [0,1,0,1,0,0|1,0,1]=4 1310 B9R1.137 O=C([O-])CC(=O)C1CC1 1458a_100000210395_100020667443 [0,1,0,1,0,0|0,0,2]=4 1311 B5R0.5 C=C(C)C(=O)C 1458a_100000185857_200000210301 [0,0,0,0,2,0|1,0,1]=4 1312 B5R0.5 C=C(C)C(=O)[13CH3] 1458a_100000185857_200025704644 [0,0,0,0,2,0|1,0,1]=4 1313 B5R0.5 CC(=O)C(C)C 1458a_100000070787_100000210206 [0,0,0,0,2,0|1,0,1]=4 1314 B5R0.5 CC(=O)C(C)C 1458a_100000210198_200000210301 [0,0,0,0,2,0|1,0,1]=4 1315 B5R0.5 CC(=O)N(C)C 11a_100102631434_100015343762 [0,0,0,0,2,0|2,0,0]=4 1316 B5R0.5 CC(=O)N(C)C 1626a_100102631434_100015343762 [0,0,0,0,2,0|2,0,0]=4 1317 B5R0.5 CC(=O)N(C)C 240690a_100102631434_100015343762 [0,0,0,0,2,0|2,0,0]=4 1318 B5R0.5 CC(=O)N(C)C 527a_100102631434_100103153847 [0,0,0,0,2,0|2,0,0]=4 1319 B5R0.5 CC(C)C(=O)[13CH3] 1458a_100000210198_200025704644 [0,0,0,0,2,0|1,0,1]=4 1320 B9R0.55 C=C(C)CCNCC(=O)O 269956a_100016091260_100000730704 [0,0,0,0,0,2|0,0,2]=4 1321 B9R0.55 C=C(C)CNCC=C(C)C 34a_100000718196_100000748629 [0,0,0,0,0,2|2,0,0]=4 1322 B9R0.55 C=C(C)CNOCC(=O)O 269956a_100000106656_100000748629 [0,0,0,0,0,2|0,0,2]=4 1323 B9R0.55 C=C(C)COCC=C(C)C 34a_100000210245_100000761012 [0,0,0,0,0,2|2,0,0]=4 1324 B9R0.55 C=C(C)COCC=C(C)C 34a_100000753907_100000748629 [0,0,0,0,0,2|2,0,0]=4 1325 B9R0.55 C=C(C)CSCC=C(C)C 62a_100000748629_100000761012 [0,0,0,0,0,2|2,0,0]=4 1326 B9R0.55 C=C(C)CSCC=C(C)C 62a_100000761012_100000211660 [0,0,0,0,0,2|2,0,0]=4 1327 B9R0.55 C=C(F)CNCC=C(C)C 34a_100000718196_100009893438 [0,0,0,0,0,2|2,0,0]=4 1328 B9R0.55 C=C(F)COCC=C(C)C 34a_100000753907_100009893438 [0,0,0,0,0,2|2,0,0]=4 1329 B9R0.55 C=C(F)COCC=C(C)C 34a_200010262243_100000761012 [0,0,0,0,0,2|2,0,0]=4 1330 B9R0.55 C=C(F)CSCC=C(C)C 62a_100000042424_100000761012 [0,0,0,0,0,2|2,0,0]=4 1331 B9R0.55 C=C(F)CSCC=C(C)C 62a_100000761012_100000042424 [0,0,0,0,0,2|2,0,0]=4 1332 B9R0.55 CC(=CCNCC(=O)N)C 2230a_100000711301_100000761012 [0,0,0,0,0,2|1,0,0]=3 1333 B9R0.55 CC(=CCNCC(=O)N)C 34a_100000718196_100000187820 [0,0,0,0,0,2|1,0,0]=3 1334 B9R0.55 CC(=CCNCC(=O)O)C 269956a_100016091260_100000761012 [0,0,0,0,0,2|0,0,0]=2 1335 B9R0.55 CC(=CCNCC(=O)[O-])C 34a_100000718196_100020667443 [0,0,0,0,0,2|0,0,1]=3 1336 B9R0.55 CC(=CCNCC(C)O)C 2230a_100000210904_100000761012 [0,0,0,0,0,2|1,0,1]=4 1337 B9R0.55 CC(=CCNCC(C)O)C 34a_100000210904_100000761012 [0,0,0,0,0,2|1,0,1]=4 1338 B9R0.55 CC(=CCNCC(C)O)C 34a_100000718196_100011218427 [0,0,0,0,0,2|1,0,1]=4 1339 B9R0.55 CC(=CCNC[C@@H](C)O)C 34a_100000718196_100009817552 [0,0,0,0,0,2|1,0,1]=4 1340 B9R0.55 CC(=CCNC[N+](=O)[O-])C 34a_100000718196_100000761209 [0,0,0,0,0,2|1,0,1]=4 1341 B9R0.55 CC(=CCOCC(=O)N)C 34a_100000753907_100000187820 [0,0,0,0,0,2|1,0,0]=3 1342 B9R0.55 CC(=CCOCC(=O)[O-])C 34a_100000753907_100020667443 [0,0,0,0,0,2|0,0,1]=3 1343 B9R0.55 CC(=CCOCC(C)O)C 34a_100000753907_100011218427 [0,0,0,0,0,2|1,0,1]=4 1344 B9R0.55 CC(=CCOC[C@@H](C)O)C 34a_100000753907_100009817552 [0,0,0,0,0,2|1,0,1]=4 1345 B9R0.55 CC(=CCOC[N+](=O)[O-])C 34a_100000753907_100000761209 [0,0,0,0,0,2|1,0,1]=4 1346 B9R0.55 CC(=CCSCC(=O)N)C 62a_100000747473_100000761012 [0,0,0,0,0,2|1,0,0]=3 1347 B9R0.55 CC(=CCSCC(=O)N)C 62a_100000761012_100000747473 [0,0,0,0,0,2|1,0,0]=3 1348 B9R0.55 CC(=CCSCC(=O)[O-])C 62a_100000761012_100020667443 [0,0,0,0,0,2|0,0,1]=3 1349 B9R0.55 CC(=CCSCC(=O)[O-])C 62a_100020667443_100000761012 [0,0,0,0,0,2|0,0,1]=3 1350 B9R0.55 CC(=CCSCC(C)O)C 62a_100000761012_100011218427 [0,0,0,0,0,2|1,0,1]=4 1351 B9R0.55 CC(=CCSCC(C)O)C 62a_100011218427_100000761012 [0,0,0,0,0,2|1,0,1]=4 1352 B9R0.55 CC(=CCSC[C@@H](C)O)C 62a_100000761012_100009817552 [0,0,0,0,0,2|1,0,1]=4 1353 B9R0.55 CC(=CCSC[C@@H](C)O)C 62a_100009817552_100000761012 [0,0,0,0,0,2|1,0,1]=4 1354 B9R0.55 CC(=CCSC[N+](=O)[O-])C 62a_100000761012_100000761209 [0,0,0,0,0,2|1,0,1]=4 1355 B9R0.55 CC(=O)CCNCC(=O)O 269956a_100016091260_100000053229 [0,0,0,0,0,2|1,0,1]=4 1356 B9R0.55 CC(=O)COCC=C(C)C 34a_100000211253_100000761012 [0,0,0,0,0,2|1,0,0]=3 1357 B9R0.55 CC(=O)NN=CC=C(C)C 4a_100000189765_100011215525 [0,0,0,0,0,2|1,0,1]=4 1358 B9R0.55 CC(=O)OCNCC(=O)O 269956a_100016091260_100000076356 [0,0,0,0,0,2|1,0,1]=4 1359 B9R0.55 CC(C)CCNCC(=O)O 269956a_100016091260_100000210312 [0,0,0,0,0,2|0,0,2]=4 1360 B9R0.55 CC(C)CNOCC(=O)O 269956a_100000106656_100000210760 [0,0,0,0,0,2|0,0,2]=4 1361 B9R0.55 CC(C)OCNCC(=O)O 269956a_100016091260_100000709892 [0,0,0,0,0,2|0,0,2]=4 1362 B9R0.55 CN(C)CCNCC(=O)O 269956a_100016091260_100000755713 [0,0,0,0,0,2|1,0,1]=4