0 B9R1.6 CC(=O)C1=CCCCC1 1458a_100000765259_200000210301 [0,0,0,0,0,0|2,0,0]=2 1 B9R1.6 CC(=O)C1=CCCCO1 1458a_100000764163_200000210301 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.6 CC(=O)C1=COCCC1 1458a_100000749935_200000210301 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.6 CC(=O)C1=COCCO1 1458a_100000008702_200000210301 [0,0,0,0,0,0|3,0,1]=4 4 B9R1.6 CC(=O)C1C=CCCC1 1458a_100000070787_100000751183 [0,0,0,0,0,0|2,0,2]=4 5 B9R1.6 CC(=O)C1CCCCC1 1458a_100000070787_100000210327 [0,0,0,0,0,0|2,0,2]=4 6 B9R1.6 CC(=O)C1CCCCC1 1458a_100000210647_200000210301 [0,0,0,0,0,0|2,0,2]=4 7 B9R1.6 CC(=O)C1CCCCO1 1458a_100000748299_200000210301 [0,0,0,0,0,0|3,0,1]=4 8 B9R1.6 CC(=O)C1CCCOC1 1458a_100000070787_100000693364 [0,0,0,0,0,0|2,0,2]=4 9 B9R1.6 CC(=O)C1CCCOC1 1458a_100000741522_200000210301 [0,0,0,0,0,0|2,0,2]=4 10 B9R1.6 CC(=O)C1COCCO1 1458a_100000045528_200000210301 [0,0,0,0,0,0|3,0,1]=4 11 B9R1.6 CC(=O)N1CCCOC1 11a_100000131196_100015343762 [0,0,0,0,0,0|3,0,1]=4 12 B9R1.6 CC(=O)N1CCCOC1 240690a_100000131196_100015343762 [0,0,0,0,0,0|3,0,1]=4 13 B9R1.6 [13CH3]C(=O)C1=CCCCC1 1458a_100000765259_200025704644 [0,0,0,0,0,0|2,0,0]=2 14 B9R1.6 [13CH3]C(=O)C1=CCCCO1 1458a_100000764163_200025704644 [0,0,0,0,0,0|3,0,0]=3 15 B9R1.6 [13CH3]C(=O)C1=COCCC1 1458a_100000749935_200025704644 [0,0,0,0,0,0|3,0,0]=3 16 B9R1.6 [13CH3]C(=O)C1=COCCO1 1458a_100000008702_200025704644 [0,0,0,0,0,0|3,0,1]=4 17 B9R1.6 [13CH3]C(=O)C1CCCCC1 1458a_100000210647_200025704644 [0,0,0,0,0,0|2,0,2]=4 18 B9R1.6 [13CH3]C(=O)C1CCCCO1 1458a_100000748299_200025704644 [0,0,0,0,0,0|3,0,1]=4 19 B9R1.6 [13CH3]C(=O)C1CCCOC1 1458a_100000741522_200025704644 [0,0,0,0,0,0|2,0,2]=4 20 B9R1.6 [13CH3]C(=O)C1COCCO1 1458a_100000045528_200025704644 [0,0,0,0,0,0|3,0,1]=4 21 B10R1.15 CCC(=O)C1=CCCCC1 1458a_100000765259_100000210202 [0,1,0,0,0,0|2,0,0]=3 22 B10R1.15 CCC(=O)C1=CCCCO1 1458a_100000764163_100000210202 [0,1,0,0,0,0|3,0,0]=4 23 B10R1.15 CCC(=O)C1=COCCC1 1458a_100000749935_100000210202 [0,1,0,0,0,0|3,0,0]=4 24 B10R1.15 CNC(=O)C1=CCCCC1 11a_106832991635_100000765259 [0,1,0,0,0,0|2,0,0]=3 25 B10R1.15 CNC(=O)C1=CCCCC1 1626a_100102657272_100000765259 [0,1,0,0,0,0|2,0,0]=3 26 B10R1.15 CNC(=O)C1=CCCCC1 240690a_100102657272_100000765259 [0,1,0,0,0,0|2,0,0]=3 27 B10R1.15 CNC(=O)C1=CCCCC1 527a_100102657272_100000765259 [0,1,0,0,0,0|2,0,0]=3 28 B10R1.15 CNC(=O)C1=CCCCO1 11a_106832991635_100000764163 [0,1,0,0,0,0|3,0,0]=4 29 B10R1.15 CNC(=O)C1=CCCCO1 1626a_100102657272_100000764163 [0,1,0,0,0,0|3,0,0]=4 30 B10R1.15 CNC(=O)C1=CCCCO1 240690a_100102657272_100000764163 [0,1,0,0,0,0|3,0,0]=4 31 B10R1.15 CNC(=O)C1=CCCCO1 527a_100102657272_100000764163 [0,1,0,0,0,0|3,0,0]=4 32 B10R1.15 CNC(=O)C1=COCCC1 1626a_100102657272_100000749935 [0,1,0,0,0,0|3,0,0]=4 33 B10R1.15 CNC(=O)C1=COCCC1 527a_100102657272_100000749935 [0,1,0,0,0,0|3,0,0]=4 34 B10R1.15 O=C(CF)C1=CCCCC1 1458a_100000765259_100015361967 [0,1,0,0,0,0|2,0,0]=3 35 B10R1.15 O=C(CF)C1=CCCCO1 1458a_100000764163_100015361967 [0,1,0,0,0,0|3,0,0]=4 36 B10R1.15 O=C(CF)C1=COCCC1 1458a_100000749935_100015361967 [0,1,0,0,0,0|3,0,0]=4 37 B10R1.15 O=C(CO)C1C=CCCC1 1458a_100000210174_100000751183 [0,1,0,0,0,0|1,0,2]=4 38 B10R1.15 O=C(CO)C1CCCCC1 1458a_100000210174_100000210327 [0,1,0,0,0,0|1,0,2]=4 39 B10R1.15 O=C(CO)C1CCCOC1 1458a_100000210174_100000693364 [0,1,0,0,0,0|1,0,2]=4 40 B10R1.15 O=C(CO)N1CCCOC1 240690a_100000131196_100000210174 [0,1,0,0,0,0|2,0,1]=4 41 B10R1.61 CC(=O)C1CCCCC1=O 1458a_100000070787_100000204591 [0,1,0,0,0,0|2,0,1]=4 42 B10R1.61 CC(=O)C1COCCC1=O 1458a_100000070787_100012180262 [0,1,0,0,0,0|2,0,1]=4 43 B10R1.61 CN1CCCC[C@@H]1C(=O)O 269956a_100000763471_200000210301 [0,1,0,0,0,0|2,0,1]=4 44 B10R1.61 CN1CCOC[C@@H]1C(=O)O 269956a_100016993156_200000210301 [0,1,0,0,0,0|2,0,1]=4 45 B10R1.61 CN1CCSCC1C(=O)O 269956a_100011346106_200000210301 [0,1,0,0,0,0|2,0,1]=4 46 B10R1.61 [13CH3]N1CCCC[C@@H]1C(=O)O 269956a_100000763471_200025704644 [0,1,0,0,0,0|2,0,1]=4 47 B10R1.61 [13CH3]N1CCOC[C@@H]1C(=O)O 269956a_100016993156_200025704644 [0,1,0,0,0,0|2,0,1]=4 48 B10R1.61 [13CH3]N1CCSCC1C(=O)O 269956a_100011346106_200025704644 [0,1,0,0,0,0|2,0,1]=4 49 B10R1.113 CC(=O)C1CCCN(C1)C 1458a_100015257587_200000210301 [0,1,0,0,0,0|1,0,2]=4 50 B10R1.113 CC(=O)C1CN(CCO1)C 1458a_100011543126_200000210301 [0,1,0,0,0,0|2,0,1]=4 51 B10R1.113 CN1CCCC(C1)C(=O)N 2230a_100000195536_200000210301 [0,1,0,0,0,0|1,0,2]=4 52 B10R1.113 CN1CCCC(C1)C(=O)N 269982a_100000195536_200000210301 [0,1,0,0,0,0|1,0,2]=4 53 B10R1.113 CN1CCCC(C1)C(=O)N 34a_100000195536_200000210301 [0,1,0,0,0,0|1,0,2]=4 54 B10R1.113 CN1CCCC(C1)C(=O)[13CH3] 1458a_100015257587_200025704644 [0,1,0,0,0,0|1,0,2]=4 55 B10R1.113 CN1CCOC(C1)C(=O)N 2230a_100000748043_200000210301 [0,1,0,0,0,0|2,0,1]=4 56 B10R1.113 CN1CCOC(C1)C(=O)N 34a_100000748043_200000210301 [0,1,0,0,0,0|2,0,1]=4 57 B10R1.113 CN1CCOC(C1)C(=O)[13CH3] 1458a_100011543126_200025704644 [0,1,0,0,0,0|2,0,1]=4 58 B10R1.113 [13CH3]N1CCCC(C1)C(=O)N 2230a_100000195536_200025704644 [0,1,0,0,0,0|1,0,2]=4 59 B10R1.113 [13CH3]N1CCCC(C1)C(=O)N 269982a_100000195536_200025704644 [0,1,0,0,0,0|1,0,2]=4 60 B10R1.113 [13CH3]N1CCCC(C1)C(=O)N 34a_100000195536_200025704644 [0,1,0,0,0,0|1,0,2]=4 61 B10R1.113 [13CH3]N1CCOC(C1)C(=O)N 2230a_100000748043_200025704644 [0,1,0,0,0,0|2,0,1]=4 62 B10R1.113 [13CH3]N1CCOC(C1)C(=O)N 34a_100000748043_200025704644 [0,1,0,0,0,0|2,0,1]=4 63 B8R0.7 C=CCNCC=C(C)C 2230a_100020586998_100000761012 [0,0,1,0,0,0|2,0,1]=4 64 B8R0.7 C=CCNCC=C(C)C 34a_100000718196_100015514636 [0,0,1,0,0,0|2,0,1]=4 65 B8R0.7 C=CCNCCC(=O)N 2230a_100020586998_100000744528 [0,0,1,0,0,0|1,0,2]=4 66 B8R0.7 C=CCNOCC(=O)O 269956a_100000106656_100000210623 [0,0,1,0,0,0|1,0,2]=4 67 B8R0.7 CC(=CCNCCF)C 34a_100000718196_100011217306 [0,0,1,0,0,0|3,0,0]=4 68 B8R0.7 CC(=CCNCCF)C 34a_100000724931_100000761012 [0,0,1,0,0,0|3,0,0]=4 69 B8R0.7 CC(=CCNCCO)C 2230a_100016997473_100000761012 [0,0,1,0,0,0|3,0,0]=4 70 B8R0.7 CC(=CCNCCO)C 34a_100000718196_100000211926 [0,0,1,0,0,0|3,0,0]=4 71 B8R0.7 CC(=CCNCCO)C 34a_100016990907_100000761012 [0,0,1,0,0,0|3,0,0]=4 72 B8R0.7 CC(=O)NCCCN[13CH3] 34a_100000736810_200025704644 [0,0,1,0,0,0|2,0,1]=4 73 B8R0.7 CC(=O)OCNCCF 34a_100000724931_100009813279 [0,0,1,0,0,0|3,0,0]=4 74 B8R0.7 CC(=O)OCNCCO 34a_100016990907_100009813279 [0,0,1,0,0,0|3,0,0]=4 75 B8R0.7 CCCCC=CC(=O)C 1458a_100016266645_200000210301 [0,0,1,0,0,0|2,0,0]=3 76 B8R0.7 CCCCC=CC(=O)[13CH3] 1458a_100016266645_200025704644 [0,0,1,0,0,0|2,0,0]=3 77 B8R0.7 CCCCNCC(=O)O 269956a_100016091260_100000210211 [0,0,1,0,0,0|2,0,1]=4 78 B8R0.7 CCCNCC=C(C)C 34a_100000718196_100000210303 [0,0,1,0,0,0|2,0,1]=4 79 B8R0.7 CCCNOCC(=O)O 269956a_100000106656_100000210207 [0,0,1,0,0,0|1,0,2]=4 80 B8R0.7 CNCCCCC(=O)C 34a_100102657272_100009817362 [0,0,1,0,0,0|1,0,2]=4 81 B8R0.7 CNCCCCC(=O)C 7a_106832991635_100000735457 [0,0,1,0,0,0|1,0,2]=4 82 B8R0.7 CNCCCCC(=O)N 34a_100000696515_200000210301 [0,0,1,0,0,0|1,0,2]=4 83 B8R0.7 CNCCCNC(=O)C 34a_100000736810_200000210301 [0,0,1,0,0,0|2,0,1]=4 84 B8R0.7 CNCCCOC(=O)C 34a_100102657272_100000042594 [0,0,1,0,0,0|2,0,1]=4 85 B8R0.7 CNCCCOC(=O)C 7a_106832991635_100000042594 [0,0,1,0,0,0|2,0,1]=4 86 B8R0.7 CNCCCSC(=O)C 2230a_106832991635_100000038929 [0,0,1,0,0,0|2,0,1]=4 87 B8R0.7 CNCCCSC(=O)C 34a_100102657272_100000038929 [0,0,1,0,0,0|2,0,1]=4 88 B8R0.7 CNCCCSC(=O)C 7a_106832991635_100000038929 [0,0,1,0,0,0|2,0,1]=4 89 B8R0.7 CNCCOCC(=O)N 2230a_106832991635_100000076697 [0,0,1,0,0,0|2,0,1]=4 90 B8R0.7 CNCCOCC(=O)N 34a_100102657272_100000076697 [0,0,1,0,0,0|2,0,1]=4 91 B8R0.7 CNCCOCC(=O)N 7a_106832991635_100000076697 [0,0,1,0,0,0|2,0,1]=4 92 B8R0.7 CNCCOCC(=O)O 269956a_100000700818_200000210301 [0,0,1,0,0,0|1,0,1]=3 93 B8R0.7 COCCNCC(=O)O 269956a_100016091260_100000233755 [0,0,1,0,0,0|2,0,1]=4 94 B8R0.7 CSCCNCC(=O)O 269956a_100016091260_100000212216 [0,0,1,0,0,0|2,0,1]=4 95 B8R0.7 NC(=O)CCNCCF 34a_100000724931_100000731001 [0,0,1,0,0,0|2,0,1]=4 96 B8R0.7 NC(=O)CCNCCO 2230a_100016997473_100000744528 [0,0,1,0,0,0|2,0,1]=4 97 B8R0.7 NC(=O)CCNCCO 34a_100016990907_100000731001 [0,0,1,0,0,0|2,0,1]=4 98 B8R0.7 O=C(O)CONCCF 269956a_100000106656_100011217306 [0,0,1,0,0,0|2,0,1]=4 99 B8R0.7 O=C(O)CONCCO 269956a_100000106656_100000211926 [0,0,1,0,0,0|2,0,1]=4 100 B8R0.7 [13CH3]NCCCCC(=O)N 34a_100000696515_200025704644 [0,0,1,0,0,0|1,0,2]=4 101 B8R0.7 [13CH3]NCCOCC(=O)O 269956a_100000700818_200025704644 [0,0,1,0,0,0|1,0,1]=3 102 B8R0.8 CC(CNCF)C(=O)O 269956a_100000749485_100015361967 [0,0,1,0,0,0|1,0,2]=4 103 B8R0.8 CC(OCCN)C(=O)N 34a_100000210304_100000702099 [0,0,1,0,0,0|2,0,1]=4 104 B8R0.8 CCC/C=C(\C)/C(=O)C 1458a_200020648666_200000210301 [0,0,1,0,0,0|2,0,0]=3 105 B8R0.8 CCC/C=C(\C)/C(=O)[13CH3] 1458a_200020648666_200025704644 [0,0,1,0,0,0|2,0,0]=3 106 B8R0.8 CCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210207 [0,0,1,0,0,0|2,0,1]=4 107 B8R0.8 CCNCC(C)C(=O)O 269956a_100000749485_100000210202 [0,0,1,0,0,0|0,0,2]=3 108 B8R0.8 CCNCC(F)C(=O)O 269956a_100000084737_100000210202 [0,0,1,0,0,0|1,0,1]=3 109 B8R0.8 CCNNC(=O)C(=O)N 22a_100000756455_100011215815 [0,0,1,0,0,0|3,0,0]=4 110 B8R0.8 CCOCC(=O)C(=O)C 34a_100121572206_100011261029 [0,0,1,0,0,0|3,0,0]=4 111 B8R0.8 CCSCC(=O)C(=O)C 62a_100000210202_100011261029 [0,0,1,0,0,0|3,0,0]=4 112 B8R0.8 CCSCC(=O)C(=O)C 62a_100011261029_100000210202 [0,0,1,0,0,0|3,0,0]=4 113 B8R0.8 C[C@H](NCCF)C(=O)O 269956a_100000743915_100011217306 [0,0,1,0,0,0|2,0,1]=4 114 B8R0.8 C[C@H](NCCO)C(=O)O 269956a_100000743915_100000211926 [0,0,1,0,0,0|2,0,1]=4 115 B8R0.8 O=C(O)C(F)CNCF 269956a_100000084737_100015361967 [0,0,1,0,0,0|2,0,1]=4 116 B8R0.15 CCC[C@H](NC)C(=O)O 269956a_100000750406_200000210301 [0,0,1,0,0,0|2,0,1]=4 117 B8R0.15 CCC[C@H](N[13CH3])C(=O)O 269956a_100000750406_200025704644 [0,0,1,0,0,0|2,0,1]=4 118 B8R0.15 CCNC(CO)C(=O)O 269956a_100000187304_100000210202 [0,0,1,0,0,0|2,0,1]=4 119 B8R0.15 CCN[C@H](CC)C(=O)O 269956a_100000747097_100000210202 [0,0,1,0,0,0|2,0,1]=4 120 B8R0.15 CN[C@@H](CSC)C(=O)O 269956a_100011421858_200000210301 [0,0,1,0,0,0|2,0,1]=4 121 B8R0.15 CN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_200000210301 [0,0,1,0,0,0|2,0,1]=4 122 B8R0.15 CN[C@H](COC)C(=O)O 269956a_100011998655_200000210301 [0,0,1,0,0,0|2,0,1]=4 123 B8R0.15 COC[C@@H](N[13CH3])C(=O)O 269956a_100011998655_200025704644 [0,0,1,0,0,0|2,0,1]=4 124 B8R0.15 CSC[C@H](N[13CH3])C(=O)O 269956a_100011421858_200025704644 [0,0,1,0,0,0|2,0,1]=4 125 B8R0.15 C[Se]C[C@H](N[13CH3])C(=O)O 269956a_100015254316_200025704644 [0,0,1,0,0,0|2,0,1]=4 126 B8R1.7 CC(=O)C1=CCCC1 1458a_100000038896_200000210301 [0,0,0,0,1,0|1,0,0]=2 127 B8R1.7 CC(=O)C1=CCOC1 1458a_100000139269_200000210301 [0,0,0,0,1,0|2,0,0]=3 128 B8R1.7 CC(=O)C1=COCC1 1458a_100000750620_200000210301 [0,0,0,0,1,0|2,0,0]=3 129 B8R1.7 CC(=O)C1CCCC1 1458a_100000070787_100000179811 [0,0,0,0,1,0|1,0,2]=4 130 B8R1.7 CC(=O)C1CCCC1 1458a_100000210718_200000210301 [0,0,0,0,1,0|1,0,2]=4 131 B8R1.7 CC(=O)C1CCCS1 1458a_100012002731_200000210301 [0,0,0,0,1,0|2,0,1]=4 132 B8R1.7 CC(=O)C1CCOC1 1458a_100000070787_100000690089 [0,0,0,0,1,0|2,0,1]=4 133 B8R1.7 CC(=O)C1CCOC1 1458a_100011219752_200000210301 [0,0,0,0,1,0|2,0,1]=4 134 B8R1.7 CC(=O)N1CCCC1 240690a_100000188435_100015343762 [0,0,0,0,1,0|2,0,1]=4 135 B8R1.7 CC(=O)N1CCCC1 527a_100000188435_100103153847 [0,0,0,0,1,0|2,0,1]=4 136 B8R1.7 CC(=O)N1CCSC1 11a_100011215254_100015343762 [0,0,0,0,1,0|3,0,0]=4 137 B8R1.7 CC(=O)N1CCSC1 240690a_100011215254_100015343762 [0,0,0,0,1,0|3,0,0]=4 138 B8R1.7 CC(=O)N1CCSC1 527a_100011215254_100103153847 [0,0,0,0,1,0|3,0,0]=4 139 B8R1.7 CC(=O)[C@@H]1CCCO1 1458a_100000686382_200000210301 [0,0,0,0,1,0|2,0,1]=4 140 B8R1.7 [13CH3]C(=O)C1=CCCC1 1458a_100000038896_200025704644 [0,0,0,0,1,0|1,0,0]=2 141 B8R1.7 [13CH3]C(=O)C1=CCOC1 1458a_100000139269_200025704644 [0,0,0,0,1,0|2,0,0]=3 142 B8R1.7 [13CH3]C(=O)C1=COCC1 1458a_100000750620_200025704644 [0,0,0,0,1,0|2,0,0]=3 143 B8R1.7 [13CH3]C(=O)C1CCCC1 1458a_100000210718_200025704644 [0,0,0,0,1,0|1,0,2]=4 144 B8R1.7 [13CH3]C(=O)C1CCCS1 1458a_100012002731_200025704644 [0,0,0,0,1,0|2,0,1]=4 145 B8R1.7 [13CH3]C(=O)C1CCOC1 1458a_100011219752_200025704644 [0,0,0,0,1,0|2,0,1]=4 146 B8R1.7 [13CH3]C(=O)[C@@H]1CCCO1 1458a_100000686382_200025704644 [0,0,0,0,1,0|2,0,1]=4 147 B10R1.18 CC(=O)C=C1CCCCC1 1458a_100000743792_200000210301 [0,0,0,0,0,1|2,0,1]=4 148 B10R1.18 CC(=O)CC1=CCCCC1 1458a_100000039269_200000210301 [0,0,0,0,0,1|2,0,0]=3 149 B10R1.18 [13CH3]C(=O)C=C1CCCCC1 1458a_100000743792_200025704644 [0,0,0,0,0,1|2,0,1]=4 150 B10R1.18 [13CH3]C(=O)CC1=CCCCC1 1458a_100000039269_200025704644 [0,0,0,0,0,1|2,0,0]=3 151 B7R0.1 C/C=C/CNCCF 34a_100000724931_100102629194 [1,0,1,0,0,0|2,0,0]=4 152 B7R0.1 C/C=C/CNCCO 34a_100016990907_100102629194 [1,0,1,0,0,0|2,0,0]=4 153 B7R0.1 C=CCNCC=CC 2230a_100020586998_100000070051 [1,0,1,0,0,0|1,0,1]=4 154 B7R0.1 CC/C=C\CCNC 2230a_106832991635_100015370543 [1,0,1,0,0,0|1,0,1]=4 155 B7R0.1 CC/C=C\CCNC 34a_100102657272_100015370543 [1,0,1,0,0,0|1,0,1]=4 156 B7R0.1 CC/C=C\CCNC 7a_106832991635_100015370543 [1,0,1,0,0,0|1,0,1]=4 157 B7R0.1 CC=CCNCCF 34a_100000724931_100000070051 [1,0,1,0,0,0|2,0,0]=4 158 B7R0.1 CC=CCNCCO 2230a_100016997473_100000070051 [1,0,1,0,0,0|2,0,0]=4 159 B7R0.1 CC=CCNCCO 34a_100016990907_100000070051 [1,0,1,0,0,0|2,0,0]=4 160 B7R0.1 CNCCCCC=O 2230a_106832991635_100000139335 [1,0,1,0,0,0|0,0,2]=4 161 B7R0.1 CNCCCCC=O 7a_106832991635_100000139335 [1,0,1,0,0,0|0,0,2]=4 162 B7R0.4 C#CCNCC(=O)O 269956a_100016091260_100000184674 [1,0,1,0,0,0|0,0,2]=4 163 B7R0.4 C=CCNCC(=O)N 2230a_100000711301_100000210623 [1,0,1,0,0,0|1,0,1]=4 164 B7R0.4 C=CCNCC(=O)N 2230a_100020586998_100000747473 [1,0,1,0,0,0|1,0,1]=4 165 B7R0.4 C=CCNCC(=O)O 269956a_100016091260_100000210623 [1,0,1,0,0,0|0,0,1]=3 166 B7R0.4 CC(=O)NCCN[13CH3] 2230a_100000209853_200025704644 [1,0,1,0,0,0|2,0,0]=4 167 B7R0.4 CCCC=CC(=O)C 1458a_100000212230_200000210301 [1,0,1,0,0,0|1,0,0]=3 168 B7R0.4 CCCC=CC(=O)[13CH3] 1458a_100000212230_200025704644 [1,0,1,0,0,0|1,0,0]=3 169 B7R0.4 CCCNCC(=O)N 2230a_100000711301_100000210303 [1,0,1,0,0,0|1,0,1]=4 170 B7R0.4 CCCNCC(=O)O 269956a_100016091260_100000210207 [1,0,1,0,0,0|0,0,1]=3 171 B7R0.4 CCNCC=C(C)C 2230a_100015525214_100000761012 [1,0,1,0,0,0|2,0,0]=4 172 B7R0.4 CCNCC=C(C)C 34a_100000718196_100000210202 [1,0,1,0,0,0|2,0,0]=4 173 B7R0.4 CCNCCC(=O)N 2230a_100015525214_100000744528 [1,0,1,0,0,0|1,0,1]=4 174 B7R0.4 CCNOCC(=O)O 269956a_100000106656_100000210202 [1,0,1,0,0,0|1,0,1]=4 175 B7R0.4 CCOC=CC(=O)C 1458a_100016266692_200000210301 [1,0,1,0,0,0|2,0,0]=4 176 B7R0.4 CCOC=CC(=O)[13CH3] 1458a_100016266692_200025704644 [1,0,1,0,0,0|2,0,0]=4 177 B7R0.4 CNC/C=C/B(O)O 2230a_106832991635_100016262062 [1,0,1,0,0,0|1,0,1]=4 178 B7R0.4 CNC/C=C/B(O)O 34a_100102657272_100016262062 [1,0,1,0,0,0|1,0,1]=4 179 B7R0.4 CNC/C=C/B(O)O 7a_106832991635_100016262062 [1,0,1,0,0,0|1,0,1]=4 180 B7R0.4 CNCCC=C(C)C 2230a_106832991635_100011217483 [1,0,1,0,0,0|2,0,0]=4 181 B7R0.4 CNCCC=C(C)C 34a_100102657272_100011217483 [1,0,1,0,0,0|2,0,0]=4 182 B7R0.4 CNCCC=C(C)C 7a_106832991635_100011217483 [1,0,1,0,0,0|2,0,0]=4 183 B7R0.4 CNCCC=C(F)F 2230a_106832991635_200009816681 [1,0,1,0,0,0|2,0,0]=4 184 B7R0.4 CNCCC=C(F)F 34a_100102657272_200009816681 [1,0,1,0,0,0|2,0,0]=4 185 B7R0.4 CNCCC=C(F)F 7a_106832991635_200009816681 [1,0,1,0,0,0|2,0,0]=4 186 B7R0.4 CNCCCC(=O)C 34a_100102657272_100000685027 [1,0,1,0,0,0|1,0,1]=4 187 B7R0.4 CNCCCC(=O)C 7a_106832991635_100011215641 [1,0,1,0,0,0|1,0,1]=4 188 B7R0.4 CNCCCC(=O)N 34a_100000739312_200000210301 [1,0,1,0,0,0|1,0,1]=4 189 B7R0.4 CNCCCC(=O)N 34a_100102657272_100102525003 [1,0,1,0,0,0|1,0,1]=4 190 B7R0.4 CNCCCC(=O)N 7a_106832991635_100102525003 [1,0,1,0,0,0|1,0,1]=4 191 B7R0.4 CNCCNC(=O)C 2230a_100000209853_200000210301 [1,0,1,0,0,0|2,0,0]=4 192 B7R0.4 CNCCNC(=O)C 2230a_106832991635_100000189650 [1,0,1,0,0,0|2,0,0]=4 193 B7R0.4 CNCCNC(=O)C 7a_106832991635_100000189650 [1,0,1,0,0,0|2,0,0]=4 194 B7R0.4 CNCCNC(=O)N 2230a_106832991635_200000034859 [1,0,1,0,0,0|2,0,0]=4 195 B7R0.4 CNCCNC(=O)N 34a_100020590234_200000210301 [1,0,1,0,0,0|2,0,0]=4 196 B7R0.4 CNCCNC(=O)N 7a_106832991635_200000034859 [1,0,1,0,0,0|2,0,0]=4 197 B7R0.4 CNCCOC(=O)C 34a_100102657272_100009814007 [1,0,1,0,0,0|2,0,0]=4 198 B7R0.4 CNCCOC(=O)C 7a_106832991635_100009814007 [1,0,1,0,0,0|2,0,0]=4 199 B7R0.4 CNCCOC(=O)N 34a_100102657272_200011214921 [1,0,1,0,0,0|2,0,0]=4 200 B7R0.4 CNCCOC(=O)N 7a_106832991635_200011214921 [1,0,1,0,0,0|2,0,0]=4 201 B7R0.4 COCC=CC(=O)C 1458a_100016285016_200000210301 [1,0,1,0,0,0|2,0,0]=4 202 B7R0.4 COCC=CC(=O)[13CH3] 1458a_100016285016_200025704644 [1,0,1,0,0,0|2,0,0]=4 203 B7R0.4 COCNCC(=O)O 269956a_100016091260_100000766300 [1,0,1,0,0,0|1,0,1]=4 204 B7R0.4 CSCNCC(=O)O 269956a_100016091260_100011218213 [1,0,1,0,0,0|1,0,1]=4 205 B7R0.4 N#CCNCC(=O)O 269956a_100016091260_100011215382 [1,0,1,0,0,0|1,0,1]=4 206 B7R0.4 NC(=O)CNCCF 2230a_100000711301_100011217306 [1,0,1,0,0,0|2,0,0]=4 207 B7R0.4 NC(=O)CNCCF 34a_100000724931_100000187820 [1,0,1,0,0,0|2,0,0]=4 208 B7R0.4 NC(=O)CNCCO 2230a_100000711301_100000211926 [1,0,1,0,0,0|2,0,0]=4 209 B7R0.4 NC(=O)CNCCO 2230a_100016997473_100000747473 [1,0,1,0,0,0|2,0,0]=4 210 B7R0.4 NC(=O)CNCCO 34a_100016990907_100000187820 [1,0,1,0,0,0|2,0,0]=4 211 B7R0.4 O=C(O)CNCCF 269956a_100016091260_100011217306 [1,0,1,0,0,0|1,0,0]=3 212 B7R0.4 O=C(O)CNCCO 269956a_100016091260_100000211926 [1,0,1,0,0,0|1,0,0]=3 213 B7R0.4 O=C([O-])CNCCF 34a_100000724931_100020667443 [1,0,1,0,0,0|1,0,1]=4 214 B7R0.4 O=C([O-])CNCCO 34a_100016990907_100020667443 [1,0,1,0,0,0|1,0,1]=4 215 B7R0.4 O=CCNCC(=O)O 269956a_100016091260_200015260668 [1,0,1,0,0,0|1,0,1]=4 216 B7R0.4 [13CH3]NCCCC(=O)N 34a_100000739312_200025704644 [1,0,1,0,0,0|1,0,1]=4 217 B7R0.4 [13CH3]NCCNC(=O)N 34a_100020590234_200025704644 [1,0,1,0,0,0|2,0,0]=4 218 B7R0.3 C=C(C#N)CNCC 2230a_100015525214_100000694840 [1,0,1,0,0,0|1,0,1]=4 219 B7R0.5 CC(CN[13CH3])C(=O)O 269956a_100000749485_200025704644 [1,0,1,0,0,0|0,0,1]=3 220 B7R0.5 CC/C=C(\C)/C(=O)C 1458a_100016988807_200000210301 [1,0,1,0,0,0|1,0,0]=3 221 B7R0.5 CC/C=C(\C)/C(=O)[13CH3] 1458a_100016988807_200025704644 [1,0,1,0,0,0|1,0,0]=3 222 B7R0.5 CCNC(=O)C(=O)C 1458a_200011297158_200000210301 [1,0,1,0,0,0|2,0,0]=4 223 B7R0.5 CCNC(=O)C(=O)N 240690a_100015525214_100011215815 [1,0,1,0,0,0|2,0,0]=4 224 B7R0.5 CCNC(=O)C(=O)[13CH3] 1458a_200011297158_200025704644 [1,0,1,0,0,0|2,0,0]=4 225 B7R0.5 CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210202 [1,0,1,0,0,0|0,0,2]=4 226 B7R0.5 CNCC(=O)C(=O)C 34a_100102657272_100011261029 [1,0,1,0,0,0|2,0,0]=4 227 B7R0.5 CNCC(C)C(=O)O 269956a_100000749485_200000210301 [1,0,1,0,0,0|0,0,1]=3 228 B7R0.5 CNCC(F)C(=O)O 269956a_100000084737_200000210301 [1,0,1,0,0,0|1,0,1]=4 229 B7R0.5 [13CH3]NCC(F)C(=O)O 269956a_100000084737_200025704644 [1,0,1,0,0,0|1,0,1]=4 230 B7R0.15 C=C[C@H](NC)C(=O)O 269956a_100016992060_200000210301 [1,0,1,0,0,0|0,0,2]=4 231 B7R0.15 C=C[C@H](N[13CH3])C(=O)O 269956a_100016992060_200025704644 [1,0,1,0,0,0|0,0,2]=4 232 B7R0.15 CC[C@@H](NC)C(=O)O 269956a_100000747097_200000210301 [1,0,1,0,0,0|0,0,2]=4 233 B7R0.15 CC[C@@H](N[13CH3])C(=O)O 269956a_100000747097_200025704644 [1,0,1,0,0,0|0,0,2]=4 234 B9R0.2 C=CCCNCC=C(C)C 2230a_100015191253_100000761012 [0,1,1,0,0,0|2,0,0]=4 235 B9R0.2 C=CCCNCC=C(C)C 34a_100000718196_100000754431 [0,1,1,0,0,0|2,0,0]=4 236 B9R0.2 C=CCCNCCC(=O)N 2230a_100015191253_100000744528 [0,1,1,0,0,0|1,0,1]=4 237 B9R0.2 C=CCCNOCC(=O)O 269956a_100000106656_100000754431 [0,1,1,0,0,0|1,0,1]=4 238 B9R0.2 CCCC/C=C/CC(=O)C 1458a_200016282684_200000210301 [0,1,1,0,0,0|2,0,0]=4 239 B9R0.2 CCCC/C=C/CC(=O)[13CH3] 1458a_200016282684_200025704644 [0,1,1,0,0,0|2,0,0]=4 240 B9R0.2 CCCCCC=CC(=O)C 1458a_100016263427_200000210301 [0,1,1,0,0,0|2,0,0]=4 241 B9R0.2 CCCCCC=CC(=O)[13CH3] 1458a_100016263427_200025704644 [0,1,1,0,0,0|2,0,0]=4 242 B9R0.2 CCNCCOCC(=O)O 269956a_100000700818_100000210202 [0,1,1,0,0,0|1,0,1]=4 243 B9R0.2 CNCCC/C=C/B(O)O 2230a_106832991635_200016261450 [0,1,1,0,0,0|1,0,1]=4 244 B9R0.2 CNCCC/C=C/B(O)O 34a_100102657272_200016261450 [0,1,1,0,0,0|1,0,1]=4 245 B9R0.2 CNCCC/C=C/B(O)O 7a_106832991635_200016261450 [0,1,1,0,0,0|1,0,1]=4 246 B9R0.2 O=C(O)COCCNCF 269956a_100000700818_100015361967 [0,1,1,0,0,0|1,0,1]=4 247 B9R0.4 CNCCC(=O)NC(=O)N 2230a_106832991635_100000237605 [0,1,1,0,0,0|2,0,0]=4 248 B9R0.4 CNCCC(=O)NC(=O)N 7a_106832991635_100000237605 [0,1,1,0,0,0|2,0,0]=4 249 B9R0.46 C=CCNCCC(=O)OC 2230a_100020586998_100000204255 [0,1,1,0,0,0|0,0,2]=4 250 B9R0.46 CCCCC=CC(=O)CC 1458a_100016266645_100000210202 [0,1,1,0,0,0|2,0,0]=4 251 B9R0.46 CCCCC=CC(=O)CF 1458a_100016266645_100015361967 [0,1,1,0,0,0|2,0,0]=4 252 B9R0.46 CCCCC=CC(=O)NC 11a_106832991635_100016266645 [0,1,1,0,0,0|2,0,0]=4 253 B9R0.46 CCCCC=CC(=O)NC 1626a_100102657272_100016266645 [0,1,1,0,0,0|2,0,0]=4 254 B9R0.46 CCCCC=CC(=O)NC 240690a_100102657272_100016266645 [0,1,1,0,0,0|2,0,0]=4 255 B9R0.46 CCCNN=CC(=O)OC 4a_100000740057_200011823558 [0,1,1,0,0,0|1,0,1]=4 256 B9R0.46 CCNC/C=C/C(=O)OC 2230a_100015525214_100000742655 [0,1,1,0,0,0|2,0,0]=4 257 B9R0.46 CCOC/C=C/C(=O)OC 34a_100121572206_100000742655 [0,1,1,0,0,0|2,0,0]=4 258 B9R0.46 CCSC/C=C/C(=O)OC 62a_100000210202_100000742655 [0,1,1,0,0,0|2,0,0]=4 259 B9R0.46 CCSC/C=C/C(=O)OC 62a_100000742655_100000210202 [0,1,1,0,0,0|2,0,0]=4 260 B9R0.46 CNCCCCC(=O)OC 2230a_106832991635_100000204269 [0,1,1,0,0,0|0,0,2]=4 261 B9R0.46 CNCCCCC(=O)OC 34a_100102657272_100000204269 [0,1,1,0,0,0|0,0,2]=4 262 B9R0.46 CNCCCCC(=O)OC 7a_106832991635_100000204269 [0,1,1,0,0,0|0,0,2]=4 263 B9R0.46 CNCCOCC(=O)OC 2230a_106832991635_100000090808 [0,1,1,0,0,0|1,0,1]=4 264 B9R0.46 CNCCOCC(=O)OC 34a_100102657272_100000090808 [0,1,1,0,0,0|1,0,1]=4 265 B9R0.46 CNCCOCC(=O)OC 7a_106832991635_100000090808 [0,1,1,0,0,0|1,0,1]=4 266 B9R0.46 COC(=O)C=NNCCO 4a_100000210001_200011823558 [0,1,1,0,0,0|2,0,0]=4 267 B9R0.46 COC(=O)CCNCCF 34a_100000724931_100000742370 [0,1,1,0,0,0|1,0,1]=4 268 B9R0.46 COC(=O)CCNCCO 2230a_100016997473_100000204255 [0,1,1,0,0,0|1,0,1]=4 269 B9R0.46 COC(=O)CCNCCO 34a_100016990907_100000742370 [0,1,1,0,0,0|1,0,1]=4 270 B9R0.47 C=CCNCC(C)C(=O)O 269956a_100000749485_100000210623 [0,1,1,0,0,0|0,0,2]=4 271 B9R0.47 C=CCNCC(F)C(=O)O 269956a_100000084737_100000210623 [0,1,1,0,0,0|0,0,2]=4 272 B9R0.47 CC(=O)C(=O)CNCCF 34a_100000724931_100011261029 [0,1,1,0,0,0|2,0,0]=4 273 B9R0.47 CC(=O)C(=O)CNCCO 34a_100016990907_100011261029 [0,1,1,0,0,0|2,0,0]=4 274 B9R0.47 CC(CNCCF)C(=O)O 269956a_100000749485_100011217306 [0,1,1,0,0,0|1,0,1]=4 275 B9R0.47 CC(CNCCO)C(=O)O 269956a_100000749485_100000211926 [0,1,1,0,0,0|1,0,1]=4 276 B9R0.47 CCCNCC(C)C(=O)O 269956a_100000749485_100000210207 [0,1,1,0,0,0|0,0,2]=4 277 B9R0.47 CCCNCC(F)C(=O)O 269956a_100000084737_100000210207 [0,1,1,0,0,0|0,0,2]=4 278 B9R0.47 O=C(O)C(F)CNCCF 269956a_100000084737_100011217306 [0,1,1,0,0,0|1,0,1]=4 279 B9R0.47 O=C(O)C(F)CNCCO 269956a_100000084737_100000211926 [0,1,1,0,0,0|1,0,1]=4 280 B9R0.55 CN(C)CCNCC(=O)O 269956a_100016091260_100000755713 [0,1,1,0,0,0|1,0,1]=4 281 B9R0.7 CC(=O)C(=O)CNC(C)C 34a_100138425928_100011261029 [0,1,1,0,0,0|2,0,0]=4 282 B9R0.7 CC(C)NCC(C)C(=O)O 269956a_100000749485_100000210206 [0,1,1,0,0,0|0,0,2]=4 283 B9R0.7 CC(C)NCC(F)C(=O)O 269956a_100000084737_100000210206 [0,1,1,0,0,0|1,0,1]=4 284 B9R0.8 C=C(COCC)C(=O)OC 34a_100121572206_100009813391 [0,1,1,0,0,0|1,0,0]=3 285 B9R0.8 C=C(CSCC)C(=O)OC 62a_100000210202_100009813391 [0,1,1,0,0,0|1,0,0]=3 286 B9R0.8 C=C(CSCC)C(=O)OC 62a_100009813391_100000210202 [0,1,1,0,0,0|1,0,0]=3 287 B9R0.8 C=C(CSCF)C(=O)OC 62a_100009813391_100015361967 [0,1,1,0,0,0|2,0,0]=4 288 B9R0.8 C=C(CSCF)C(=O)OC 62a_100015361967_100009813391 [0,1,1,0,0,0|2,0,0]=4 289 B9R0.8 CCC/C=C(\C)/C(=O)CC 1458a_200020648666_100000210202 [0,1,1,0,0,0|2,0,0]=4 290 B9R0.8 CCC/C=C(\C)/C(=O)CF 1458a_200020648666_100015361967 [0,1,1,0,0,0|2,0,0]=4 291 B9R0.8 CCC/C=C(\C)/C(=O)NC 11a_106832991635_200020648666 [0,1,1,0,0,0|2,0,0]=4 292 B9R0.8 CCC/C=C(\C)/C(=O)NC 1626a_100102657272_200020648666 [0,1,1,0,0,0|2,0,0]=4 293 B9R0.8 CCC/C=C(\C)/C(=O)NC 240690a_100102657272_200020648666 [0,1,1,0,0,0|2,0,0]=4 294 B9R0.8 CCNN=C(C)C(=O)OC 4a_100000756455_100000211753 [0,1,1,0,0,0|1,0,1]=4 295 B9R0.8 CCOCC(=O)C(=O)OC 34a_100121572206_100011610305 [0,1,1,0,0,0|2,0,0]=4 296 B9R0.8 CCSCC(=O)C(=O)OC 62a_100000210202_100011610305 [0,1,1,0,0,0|2,0,0]=4 297 B9R0.8 CCSCC(=O)C(=O)OC 62a_100011610305_100000210202 [0,1,1,0,0,0|2,0,0]=4 298 B9R0.8 COC(=O)C(C)OCCN 34a_100000210304_100000211248 [0,1,1,0,0,0|1,0,1]=4 299 B9R0.42 CCN(C)CC(=O)C(=O)C 269982a_100000225621_100011261029 [0,1,1,0,0,0|2,0,0]=4 300 B9R0.51 CCNCC(C)(C)C(=O)O 269956a_100000693527_100000210202 [0,1,1,0,0,0|0,0,2]=4 301 B9R0.51 CCNCC(F)(F)C(=O)O 269956a_100000734215_100000210202 [0,1,1,0,0,0|1,0,1]=4 302 B9R0.12 CCOC(CN)C(=O)OC 34a_100000695228_100000210202 [0,1,1,0,0,0|1,0,1]=4 303 B9R1.11 CCC(=O)C1=CCCC1 1458a_100000038896_100000210202 [0,1,0,0,1,0|1,0,0]=3 304 B9R1.11 CCC(=O)C1=CCOC1 1458a_100000139269_100000210202 [0,1,0,0,1,0|2,0,0]=4 305 B9R1.11 CCC(=O)C1=COCC1 1458a_100000750620_100000210202 [0,1,0,0,1,0|2,0,0]=4 306 B9R1.11 CNC(=O)C1=CCCC1 11a_106832991635_100000038896 [0,1,0,0,1,0|1,0,0]=3 307 B9R1.11 CNC(=O)C1=CCCC1 1626a_100102657272_100000038896 [0,1,0,0,1,0|1,0,0]=3 308 B9R1.11 CNC(=O)C1=CCCC1 240690a_100102657272_100000038896 [0,1,0,0,1,0|1,0,0]=3 309 B9R1.11 CNC(=O)C1=CCOC1 11a_106832991635_100000139269 [0,1,0,0,1,0|2,0,0]=4 310 B9R1.11 CNC(=O)C1=CCOC1 1626a_100102657272_100000139269 [0,1,0,0,1,0|2,0,0]=4 311 B9R1.11 CNC(=O)C1=CCOC1 240690a_100102657272_100000139269 [0,1,0,0,1,0|2,0,0]=4 312 B9R1.11 CNC(=O)C1=COCC1 1626a_100102657272_100000750620 [0,1,0,0,1,0|2,0,0]=4 313 B9R1.11 CNC(=O)C1=COCC1 240690a_100102657272_100000750620 [0,1,0,0,1,0|2,0,0]=4 314 B9R1.11 O=C(CF)C1=CCCC1 1458a_100000038896_100015361967 [0,1,0,0,1,0|1,0,0]=3 315 B9R1.11 O=C(CF)C1=CCOC1 1458a_100000139269_100015361967 [0,1,0,0,1,0|2,0,0]=4 316 B9R1.11 O=C(CF)C1=COCC1 1458a_100000750620_100015361967 [0,1,0,0,1,0|2,0,0]=4 317 B9R1.11 O=C(CO)C1CCCC1 1458a_100000210174_100000179811 [0,1,0,0,1,0|0,0,2]=4 318 B9R1.11 O=C(CO)C1CCOC1 1458a_100000210174_100000690089 [0,1,0,0,1,0|1,0,1]=4 319 B9R1.11 O=C(CO)N1CCCC1 240690a_100000188435_100000210174 [0,1,0,0,1,0|1,0,1]=4 320 B9R1.11 O=C(CO)N1CCCC1 527a_100000188435_100000210174 [0,1,0,0,1,0|1,0,1]=4 321 B9R1.11 O=C(CO)N1CCSC1 240690a_100011215254_100000210174 [0,1,0,0,1,0|2,0,0]=4 322 B9R1.11 O=C(CO)N1CCSC1 527a_100011215254_100000210174 [0,1,0,0,1,0|2,0,0]=4 323 B9R1.35 CC(=O)C1CCN(C1)C 1458a_100000739633_200000210301 [0,1,0,0,1,0|1,0,1]=4 324 B9R1.35 CN1CCC(C1)C(=O)N 2230a_100000752358_200000210301 [0,1,0,0,1,0|1,0,1]=4 325 B9R1.35 CN1CCC(C1)C(=O)N 269982a_100000752358_200000210301 [0,1,0,0,1,0|1,0,1]=4 326 B9R1.35 CN1CCC(C1)C(=O)N 34a_100000752358_200000210301 [0,1,0,0,1,0|1,0,1]=4 327 B9R1.35 CN1CCC(C1)C(=O)[13CH3] 1458a_100000739633_200025704644 [0,1,0,0,1,0|1,0,1]=4 328 B9R1.35 [13CH3]N1CCC(C1)C(=O)N 2230a_100000752358_200025704644 [0,1,0,0,1,0|1,0,1]=4 329 B9R1.35 [13CH3]N1CCC(C1)C(=O)N 269982a_100000752358_200025704644 [0,1,0,0,1,0|1,0,1]=4 330 B9R1.35 [13CH3]N1CCC(C1)C(=O)N 34a_100000752358_200025704644 [0,1,0,0,1,0|1,0,1]=4 331 B9R1.41 CC(=O)C1CCCC1=O 1458a_100000070787_100000211823 [0,1,0,0,1,0|1,0,1]=4 332 B9R1.41 CN1CC=C[C@H]1C(=O)O 269956a_100000057196_200000210301 [0,1,0,0,1,0|0,0,2]=4 333 B9R1.41 CN1CCC[C@H]1C(=O)O 269956a_100000743916_200000210301 [0,1,0,0,1,0|0,0,2]=4 334 B9R1.41 CN1CCSC1C(=O)O 269956a_100000035718_200000210301 [0,1,0,0,1,0|1,0,1]=4 335 B9R1.41 [13CH3]N1CC=C[C@H]1C(=O)O 269956a_100000057196_200025704644 [0,1,0,0,1,0|0,0,2]=4 336 B9R1.41 [13CH3]N1CCC[C@H]1C(=O)O 269956a_100000743916_200025704644 [0,1,0,0,1,0|0,0,2]=4 337 B9R1.41 [13CH3]N1CCSC1C(=O)O 269956a_100000035718_200025704644 [0,1,0,0,1,0|1,0,1]=4 338 B11R1.40 CCC(=O)CC1=CCCCC1 1458a_100000039269_100000210202 [0,1,0,0,0,1|2,0,0]=4 339 B11R1.40 CNC(=O)CC1=CCCCC1 11a_106832991635_100000039269 [0,1,0,0,0,1|2,0,0]=4 340 B11R1.40 CNC(=O)CC1=CCCCC1 1626a_100102657272_100000039269 [0,1,0,0,0,1|2,0,0]=4 341 B11R1.40 CNC(=O)CC1=CCCCC1 240690a_100102657272_100000039269 [0,1,0,0,0,1|2,0,0]=4 342 B11R1.40 CNC(=O)CC1=CCCCC1 527a_100102657272_100000039269 [0,1,0,0,0,1|2,0,0]=4 343 B11R1.40 O=C(CF)CC1=CCCCC1 1458a_100000039269_100015361967 [0,1,0,0,0,1|2,0,0]=4 344 B11R1.157 CN1CCCC(C1)CC(=O)O 269956a_100015207179_200000210301 [0,1,0,0,0,1|0,0,2]=4 345 B11R1.157 CN1CCOC(C1)CC(=O)O 269956a_100015183369_200000210301 [0,1,0,0,0,1|1,0,1]=4 346 B11R1.157 [13CH3]N1CCCC(C1)CC(=O)O 269956a_100015207179_200025704644 [0,1,0,0,0,1|0,0,2]=4 347 B11R1.157 [13CH3]N1CCOC(C1)CC(=O)O 269956a_100015183369_200025704644 [0,1,0,0,0,1|1,0,1]=4 348 B11R1.565 CN1CCCC(CC1)C(=O)O 269956a_100000134118_200000210301 [0,1,0,0,0,1|0,0,2]=4 349 B11R1.565 [13CH3]N1CCCC(CC1)C(=O)O 269956a_100000134118_200025704644 [0,1,0,0,0,1|0,0,2]=4 350 B11R1.22 COC(=O)C1=CCN(CC1)C 2230a_100020587139_200000210301 [0,2,0,0,0,0|2,0,0]=4 351 B11R1.22 COC(=O)C1=CCN(CC1)C 269982a_100020587139_200000210301 [0,2,0,0,0,0|2,0,0]=4 352 B11R1.22 COC(=O)C1=CCN(CC1)[13CH3] 2230a_100020587139_200025704644 [0,2,0,0,0,0|2,0,0]=4 353 B11R1.22 COC(=O)C1=CCN(CC1)[13CH3] 269982a_100020587139_200025704644 [0,2,0,0,0,0|2,0,0]=4 354 B11R1.16 C#CCC(=O)C1=CCCCC1 1458a_100000765259_100000184674 [0,2,0,0,0,0|2,0,0]=4 355 B11R1.16 C=CCC(=O)C1=CCCCC1 1458a_100000765259_100000210623 [0,2,0,0,0,0|2,0,0]=4 356 B11R1.16 CCCC(=O)C1=CCCCC1 1458a_100000765259_100000210303 [0,2,0,0,0,0|2,0,0]=4 357 B11R1.16 CCNC(=O)C1=CCCCC1 11a_100015525214_100000765259 [0,2,0,0,0,0|2,0,0]=4 358 B11R1.16 CCNC(=O)C1=CCCCC1 240690a_100015525214_100000765259 [0,2,0,0,0,0|2,0,0]=4 359 B11R1.16 CCNC(=O)C1=CCCCC1 527a_100015525214_100000765259 [0,2,0,0,0,0|2,0,0]=4 360 B11R1.16 CNNC(=O)C1=CCCCC1 22a_100016993582_100000765259 [0,2,0,0,0,0|2,0,0]=4 361 B11R1.16 N#CCC(=O)C1=CCCCC1 1458a_100000765259_100011214920 [0,2,0,0,0,0|2,0,0]=4 362 B11R1.16 O=C(CCF)C1=CCCCC1 1458a_100000765259_100011217306 [0,2,0,0,0,0|2,0,0]=4 363 B11R1.16 O=C(CCO)C1=CCCCC1 1458a_100000765259_100000211926 [0,2,0,0,0,0|1,0,0]=3 364 B11R1.16 O=C(CCO)C1=CCCCO1 1458a_100000764163_100000211926 [0,2,0,0,0,0|2,0,0]=4 365 B11R1.16 O=C(CCO)C1=COCCC1 1458a_100000749935_100000211926 [0,2,0,0,0,0|2,0,0]=4 366 B11R1.23 CNC(=O)C1=CCCN(C1)C 240690a_100102657272_100020639683 [0,2,0,0,0,0|1,0,0]=3 367 B11R1.23 COC(=O)C1CN(CCO1)C 2230a_100000751517_200000210301 [0,2,0,0,0,0|1,0,1]=4 368 B11R1.23 COC(=O)C1CN(CCO1)C 269982a_100000751517_200000210301 [0,2,0,0,0,0|1,0,1]=4 369 B11R1.23 COC(=O)C1CN(CCO1)C 34a_100000751517_200000210301 [0,2,0,0,0,0|1,0,1]=4 370 B11R1.23 COC(=O)C1CN(CCO1)[13CH3] 2230a_100000751517_200025704644 [0,2,0,0,0,0|1,0,1]=4 371 B11R1.23 COC(=O)C1CN(CCO1)[13CH3] 269982a_100000751517_200025704644 [0,2,0,0,0,0|1,0,1]=4 372 B11R1.23 COC(=O)C1CN(CCO1)[13CH3] 34a_100000751517_200025704644 [0,2,0,0,0,0|1,0,1]=4 373 B11R1.23 COC(=O)[C@H]1CCCN(C1)C 2230a_100016988859_200000210301 [0,2,0,0,0,0|0,0,2]=4 374 B11R1.23 COC(=O)[C@H]1CCCN(C1)C 269982a_100016988859_200000210301 [0,2,0,0,0,0|0,0,2]=4 375 B11R1.23 COC(=O)[C@H]1CCCN(C1)[13CH3] 2230a_100016988859_200025704644 [0,2,0,0,0,0|0,0,2]=4 376 B11R1.23 COC(=O)[C@H]1CCCN(C1)[13CH3] 269982a_100016988859_200025704644 [0,2,0,0,0,0|0,0,2]=4 377 B11R1.222 O=C(CO)C1CCCCC1=O 1458a_100000210174_100000204591 [0,2,0,0,0,0|1,0,1]=4 378 B11R1.222 O=C(CO)C1COCCC1=O 1458a_100000210174_100012180262 [0,2,0,0,0,0|1,0,1]=4 379 B11R1.167 CN1CCN(C(C1)C(=O)O)C 269956a_100020626280_200000210301 [0,2,0,0,0,0|1,0,1]=4 380 B11R1.167 CN1CCN(C(C1)C(=O)O)[13CH3] 269956a_100020626280_200025704644 [0,2,0,0,0,0|1,0,1]=4 381 B9R1.7 CNCC1CNC(=O)O1 2230a_106832991635_100000181169 [0,0,1,1,0,0|1,0,1]=4 382 B9R1.7 CNCC1CNC(=O)O1 34a_100102657272_100000181169 [0,0,1,1,0,0|1,0,1]=4 383 B9R1.7 CNCC1CNC(=O)O1 7a_106832991635_100000181169 [0,0,1,1,0,0|1,0,1]=4 384 B9R1.7 CNCC1COC(=O)O1 34a_100102657272_100000073702 [0,0,1,1,0,0|1,0,1]=4 385 B9R1.7 CNCc1ccc(o1)Br 207a_100102657272_100000185145 [0,0,1,1,0,0|1,0,1]=4 386 B9R1.7 CNCc1ccc(o1)Br 270004a_106832991635_100000185145 [0,0,1,1,0,0|1,0,1]=4 387 B9R1.7 CNCc1ccc(o1)Br 34a_100000708654_200000210301 [0,0,1,1,0,0|1,0,1]=4 388 B9R1.7 CNCc1ccc(o1)C 207a_100102657272_100000183696 [0,0,1,1,0,0|1,0,1]=4 389 B9R1.7 CNCc1ccc(o1)C 270004a_106832991635_100000183696 [0,0,1,1,0,0|1,0,1]=4 390 B9R1.7 CNCc1ccc(o1)C 34a_100011194323_200000210301 [0,0,1,1,0,0|1,0,1]=4 391 B9R1.7 CNCc1ccc(o1)Cl 207a_100102657272_100000188459 [0,0,1,1,0,0|1,0,1]=4 392 B9R1.7 CNCc1ccc(o1)Cl 270004a_106832991635_100000188459 [0,0,1,1,0,0|1,0,1]=4 393 B9R1.7 CNCc1ccc(o1)I 207a_100102657272_100000186757 [0,0,1,1,0,0|1,0,1]=4 394 B9R1.7 CNCc1ccc(o1)O 271570a_203496583355_100000207588 [0,0,1,1,0,0|0,0,2]=4 395 B9R1.7 Cc1ccc(o1)CN[13CH3] 34a_100011194323_200025704644 [0,0,1,1,0,0|1,0,1]=4 396 B9R1.7 [13CH3]NCc1ccc(o1)Br 34a_100000708654_200025704644 [0,0,1,1,0,0|1,0,1]=4 397 B9R1.13 CC(=O)C=C1CCCC1 1458a_100000743260_200000210301 [0,0,1,1,0,0|2,0,0]=4 398 B9R1.13 [13CH3]C(=O)C=C1CCCC1 1458a_100000743260_200025704644 [0,0,1,1,0,0|2,0,0]=4 399 B9R1.23 CC1=CC(OC1=O)S[13CH3] 62a_200009893386_200025704644 [0,0,1,1,0,0|2,0,0]=4 400 B9R1.23 CC1=CC(OC1=O)S[13CH3] 62a_200025704644_200009893386 [0,0,1,1,0,0|2,0,0]=4 401 B9R1.23 CNC1C=C(C(=O)O1)C 2230a_106832991635_200009893386 [0,0,1,1,0,0|2,0,0]=4 402 B9R1.23 CSC1C=C(C(=O)O1)C 62a_200000210301_200009893386 [0,0,1,1,0,0|2,0,0]=4 403 B9R1.23 CSC1C=C(C(=O)O1)C 62a_200009893386_200000210301 [0,0,1,1,0,0|2,0,0]=4 404 B9R1.33 CNCc1ccsc1O 271570a_203496583355_100009817074 [0,0,1,1,0,0|0,1,1]=4 405 B9R1.33 CNCc1cscc1O 271570a_203496583355_100011935083 [0,0,1,1,0,0|2,0,0]=4 406 B9R1.33 COCC1=CCCC1=O 34a_100000087531_200000210301 [0,0,1,1,0,0|2,0,0]=4 407 B9R1.33 [13CH3]OCC1=CCCC1=O 34a_100000087531_200025704644 [0,0,1,1,0,0|2,0,0]=4 408 B9R1.179 CNCC1(CC1)C(=O)O 269956a_100000703410_200000210301 [0,0,1,1,0,0|0,0,2]=4 409 B9R1.179 [13CH3]NCC1(CC1)C(=O)O 269956a_100000703410_200025704644 [0,0,1,1,0,0|0,0,2]=4 410 B11R2.10 Oc1cc2c(s1)CCCC2 271570a_203496583355_100010127270 [0,0,0,1,0,1|1,1,0]=4 411 B11R2.10 Oc1cc2c(s1)CCNC2 271570a_203496583355_100025757484 [0,0,0,1,0,1|0,1,0]=3 412 B11R2.10 Oc1nc2c(s1)CNCC2 271570a_203496583355_100015205579 [0,0,0,1,0,1|1,0,0]=3 413 B11R2.1 Oc1n[nH]c2c1CCCC2 271570a_203496583355_200010892150 [0,1,0,1,0,0|2,0,0]=4 414 B11R2.1 Oc1ncn2c1CNCC2 271570a_203496583355_100020628230 [0,1,0,1,0,0|2,0,0]=4 415 B7R1.18 CC(=O)C1CCC1 1458a_100000070787_100000749161 [0,0,0,0,2,0|1,0,1]=4 416 B7R1.18 CC(=O)C1CCC1 1458a_100000209988_200000210301 [0,0,0,0,2,0|1,0,1]=4 417 B7R1.18 CC(=O)N1CCC1 11a_100000754969_100015343762 [0,0,0,0,2,0|2,0,0]=4 418 B7R1.18 CC(=O)N1CCC1 240690a_100000754969_100015343762 [0,0,0,0,2,0|2,0,0]=4 419 B7R1.18 CC(=O)N1CCC1 527a_100000754969_100103153847 [0,0,0,0,2,0|2,0,0]=4 420 B7R1.18 [13CH3]C(=O)C1CCC1 1458a_100000209988_200025704644 [0,0,0,0,2,0|1,0,1]=4 421 B11R1.91 CC(=O)C=CC1=CCCCC1 1458a_100016289660_200000210301 [0,0,0,0,0,2|2,0,0]=4 422 B11R1.91 [13CH3]C(=O)C=CC1=CCCCC1 1458a_100016289660_200025704644 [0,0,0,0,0,2|2,0,0]=4