0 B14R1.540 C#CC(OCC(C)C)c1ccccc1 34a_100011219616_100000210624 [0,0,0,0,0,0|2,0,2]=4 1 B14R1.540 C#CC(OCC(C)C)c1ccccc1 7a_100011219616_100000210760 [0,0,0,0,0,0|2,0,2]=4 2 B14R1.540 C=CC(=NNC(C)C)c1ccccc1 4a_100000741168_200000750708 [0,0,0,0,0,0|3,0,0]=3 3 B14R1.540 C=CC(NCC(C)C)c1ccccc1 2230a_100000210953_200000085779 [0,0,0,0,0,0|2,0,1]=3 4 B14R1.540 C=CC(NCC(C)O)c1ccccc1 2230a_100000210904_200000085779 [0,0,0,0,0,0|3,0,1]=4 5 B14R1.540 C=CC(OCC(C)C)c1ccccc1 34a_100011215659_100000210624 [0,0,0,0,0,0|2,0,1]=3 6 B14R1.540 C=CC(OCC(C)C)c1ccccc1 7a_100011215659_100000210760 [0,0,0,0,0,0|2,0,1]=3 7 B14R1.540 C=CC(OCC(C)O)c1ccccc1 34a_100011215659_100011218427 [0,0,0,0,0,0|3,0,1]=4 8 B14R1.540 C=CC(OCC(C)O)c1ccccc1 7a_100011215659_100011218427 [0,0,0,0,0,0|3,0,1]=4 9 B14R1.540 C=CC(OC[C@@H](C)O)c1ccccc1 34a_100011215659_100009817552 [0,0,0,0,0,0|3,0,1]=4 10 B14R1.540 C=CC(OC[C@@H](C)O)c1ccccc1 7a_100011215659_100009817552 [0,0,0,0,0,0|3,0,1]=4 11 B14R1.540 C=CC(SCC(C)C)c1ccccc1 62a_100000210624_200000085779 [0,0,0,0,0,0|2,0,1]=3 12 B14R1.540 C=CC(SCC(C)C)c1ccccc1 62a_200000085779_100000210760 [0,0,0,0,0,0|2,0,1]=3 13 B14R1.540 C=CC(SCC(C)O)c1ccccc1 62a_100011218427_200000085779 [0,0,0,0,0,0|3,0,1]=4 14 B14R1.540 C=CC(SCC(C)O)c1ccccc1 62a_200000085779_100011218427 [0,0,0,0,0,0|3,0,1]=4 15 B14R1.540 C=CC(SC[C@@H](C)O)c1ccccc1 62a_100009817552_200000085779 [0,0,0,0,0,0|3,0,1]=4 16 B14R1.540 C=CC(SC[C@@H](C)O)c1ccccc1 62a_200000085779_100009817552 [0,0,0,0,0,0|3,0,1]=4 17 B14R1.540 CC(C)CN[C@H](CO)c1ccccc1 2230a_100000751927_100000210760 [0,0,0,0,0,0|1,0,3]=4 18 B14R1.540 CC(C)CN[C@H](CO)c1ccccc1 270004a_100000751927_100000210432 [0,0,0,0,0,0|1,0,3]=4 19 B14R1.540 CC(C)CN[C@H](CO)c1ccccc1 34a_100000751927_100000210624 [0,0,0,0,0,0|1,0,3]=4 20 B14R1.540 CC(C)COC(C#N)c1ccccc1 7a_100011217353_100000210760 [0,0,0,0,0,0|2,0,2]=4 21 B14R1.540 CC(C)COC(CBr)c1ccccc1 7a_100000185958_100000210760 [0,0,0,0,0,0|2,0,2]=4 22 B14R1.540 CC(C)COC(CN)c1ccccc1 34a_100000210709_100000210624 [0,0,0,0,0,0|2,0,2]=4 23 B14R1.540 CC(C)CO[C@H](CCl)c1ccccc1 34a_100011933945_100000210624 [0,0,0,0,0,0|2,0,2]=4 24 B14R1.540 CC(C)CO[C@H](CCl)c1ccccc1 7a_100011933945_100000210760 [0,0,0,0,0,0|2,0,2]=4 25 B14R1.540 CC(C)NN=C(CF)c1ccccc1 4a_100000741168_100000069468 [0,0,0,0,0,0|3,0,1]=4 26 B14R1.540 CC(C)NN=C(CO)c1ccccc1 4a_100000741168_100000748912 [0,0,0,0,0,0|2,0,2]=4 27 B14R1.540 CCC(=NNC(C)C)c1ccccc1 4a_100000741168_100000210124 [0,0,0,0,0,0|3,0,1]=4 28 B14R1.540 CCC(NCC(C)C)c1ccccc1 2230a_100000737752_100000210760 [0,0,0,0,0,0|2,0,2]=4 29 B14R1.540 CCC(NCC(C)C)c1ccccc1 269862a_100000210953_100000210124 [0,0,0,0,0,0|2,0,2]=4 30 B14R1.540 CCC(NCC(C)C)c1ccccc1 270004a_100000737752_100000210432 [0,0,0,0,0,0|2,0,2]=4 31 B14R1.540 CCC(OCC(C)C)c1ccccc1 34a_100000698172_100000210624 [0,0,0,0,0,0|2,0,2]=4 32 B14R1.540 CCC(OCC(C)C)c1ccccc1 7a_100000698172_100000210760 [0,0,0,0,0,0|2,0,2]=4 33 B14R1.540 CCN(CCC(C)C)c1ccccc1 2230a_100000210013_100000210312 [0,0,0,0,0,0|2,0,2]=4 34 B14R1.540 CCN(CCC(C)C)c1ccccc1 269982a_100000210013_100000210312 [0,0,0,0,0,0|2,0,2]=4 35 B14R1.540 CCN(CCC(C)C)c1ccccc1 34a_100000210013_100000210312 [0,0,0,0,0,0|2,0,2]=4 36 B14R1.540 CNC(CCC(C)C)c1ccccc1 269862a_106832991636_200011267664 [0,0,0,0,0,0|2,0,2]=4 37 B13R1.26 C=CC(=NNCC)c1ccccc1 4a_100000756455_200000750708 [1,0,0,0,0,0|3,0,0]=4 38 B13R1.26 C=CC(OCCC)c1ccccc1 34a_100011215659_100000210303 [1,0,0,0,0,0|2,0,1]=4 39 B13R1.26 C=CC(OCCC)c1ccccc1 7a_100011215659_100000210303 [1,0,0,0,0,0|2,0,1]=4 40 B13R1.26 C=CC(SCCC)c1ccccc1 62a_100000210303_200000085779 [1,0,0,0,0,0|2,0,1]=4 41 B13R1.26 C=CC(SCCC)c1ccccc1 62a_200000085779_100000210303 [1,0,0,0,0,0|2,0,1]=4 42 B13R1.45 C=C(C)CCC(=O)c1ccccc1 1458a_100000185807_100000730704 [1,0,0,0,0,0|0,0,3]=4 43 B13R1.45 C=C(C)CNC(=O)c1ccccc1 11a_100000765925_100000185807 [1,0,0,0,0,0|1,0,2]=4 44 B13R1.45 C=C(C)CNC(=O)c1ccccc1 1626a_100000765925_100000185807 [1,0,0,0,0,0|1,0,2]=4 45 B13R1.45 C=C(C)CNC(=O)c1ccccc1 240690a_100000765925_100000185807 [1,0,0,0,0,0|1,0,2]=4 46 B13R1.45 C=C(C)CNC(=O)c1ccccc1 527a_100000765925_100000185807 [1,0,0,0,0,0|1,0,2]=4 47 B13R1.45 CC(=CCC(=O)c1ccccc1)C 1458a_100000185807_100000761012 [1,0,0,0,0,0|0,0,3]=4 48 B13R1.45 CC(=NNC(C)C)c1ccccc1 4a_100000741168_100000185851 [1,0,0,0,0,0|2,0,1]=4 49 B13R1.45 CC(=O)CCC(=O)c1ccccc1 1458a_100000070787_100000750707 [1,0,0,0,0,0|1,0,2]=4 50 B13R1.45 CC(=O)CNC(=O)c1ccccc1 1458a_100000182045_200000210301 [1,0,0,0,0,0|2,0,1]=4 51 B13R1.45 CC(=O)COC(=O)c1ccccc1 1458a_100000070787_100000073877 [1,0,0,0,0,0|2,0,1]=4 52 B13R1.45 CC(C)CCC(=O)c1ccccc1 1458a_100000185807_100000210312 [1,0,0,0,0,0|0,0,1]=2 53 B13R1.45 CC(C)CCN(C)c1ccccc1 2230a_100000210012_100000210312 [1,0,0,0,0,0|1,0,2]=4 54 B13R1.45 CC(C)CCN(C)c1ccccc1 269982a_100000210012_100000210312 [1,0,0,0,0,0|1,0,2]=4 55 B13R1.45 CC(C)CCN(C)c1ccccc1 34a_100000210012_100000210312 [1,0,0,0,0,0|1,0,2]=4 56 B13R1.45 CC(C)CNC(=O)c1ccccc1 11a_100000210953_100000185807 [1,0,0,0,0,0|1,0,0]=2 57 B13R1.45 CC(C)CNC(=O)c1ccccc1 1626a_100000210953_100000185807 [1,0,0,0,0,0|1,0,0]=2 58 B13R1.45 CC(C)CNC(=O)c1ccccc1 240690a_100000210953_100000185807 [1,0,0,0,0,0|1,0,0]=2 59 B13R1.45 CC(C)CNC(=O)c1ccccc1 527a_100000210953_100000185807 [1,0,0,0,0,0|1,0,0]=2 60 B13R1.45 CC(C)CNC(C)c1ccccc1 2230a_100000210953_100000230085 [1,0,0,0,0,0|1,0,2]=4 61 B13R1.45 CC(C)CNC(C)c1ccccc1 269862a_100000210953_100000185851 [1,0,0,0,0,0|1,0,2]=4 62 B13R1.45 CC(C)CNC(C)c1ccccc1 34a_100000210953_100000211855 [1,0,0,0,0,0|1,0,2]=4 63 B13R1.45 CC(C)CN[C@H](C)c1ccccc1 2230a_100000751104_100000210760 [1,0,0,0,0,0|1,0,2]=4 64 B13R1.45 CC(C)CN[C@H](C)c1ccccc1 270004a_100000751104_100000210432 [1,0,0,0,0,0|1,0,2]=4 65 B13R1.45 CC(C)COC(C)c1ccccc1 34a_100000210257_100000211855 [1,0,0,0,0,0|1,0,2]=4 66 B13R1.45 CC(C)CO[C@H](C)c1ccccc1 34a_100000761318_100000210624 [1,0,0,0,0,0|1,0,2]=4 67 B13R1.45 CC(C)CO[C@H](C)c1ccccc1 7a_100000761318_100000210760 [1,0,0,0,0,0|1,0,2]=4 68 B13R1.45 CC(C)CSC(C)c1ccccc1 62a_100000210624_100000230085 [1,0,0,0,0,0|1,0,2]=4 69 B13R1.45 CC(C)CSC(C)c1ccccc1 62a_100000230085_100000210760 [1,0,0,0,0,0|1,0,2]=4 70 B13R1.45 CC(C)NCC(=O)c1ccccn1 34a_100138425928_100000027445 [1,0,0,0,0,0|2,0,1]=4 71 B13R1.45 CC(C)NNC(=O)c1ccccc1 22a_100000741168_100000185807 [1,0,0,0,0,0|2,0,0]=3 72 B13R1.45 CC(C)OCC(=O)c1ccccn1 34a_100000212225_100000027445 [1,0,0,0,0,0|2,0,1]=4 73 B13R1.45 CC(C)SCC(=O)c1ccccc1 62a_100000210206_100000211460 [1,0,0,0,0,0|1,0,1]=3 74 B13R1.45 CC(C)SCC(=O)c1ccccc1 62a_100000211460_100000210206 [1,0,0,0,0,0|1,0,1]=3 75 B13R1.45 CC(C)SCC(=O)c1ccccn1 62a_100000027445_100000210206 [1,0,0,0,0,0|2,0,1]=4 76 B13R1.45 CC(C)SCC(=O)c1ccccn1 62a_100000210206_100000027445 [1,0,0,0,0,0|2,0,1]=4 77 B13R1.45 CC(C)SCC(=O)c1cccnc1 62a_100000210206_100000757877 [1,0,0,0,0,0|2,0,1]=4 78 B13R1.45 CC(C)SCC(=O)c1cccnc1 62a_100000757877_100000210206 [1,0,0,0,0,0|2,0,1]=4 79 B13R1.45 CC(C)SCC(=O)c1ccncc1 62a_100000027454_100000210206 [1,0,0,0,0,0|2,0,1]=4 80 B13R1.45 CC(C)SCC(=O)c1ccncc1 62a_100000210206_100000027454 [1,0,0,0,0,0|2,0,1]=4 81 B13R1.45 CC(C)SCS(=O)c1ccccc1 62a_100000210206_100000031784 [1,0,0,0,0,0|2,0,1]=4 82 B13R1.45 CC(O)CCC(=O)c1ccccc1 1458a_100000185807_100012276601 [1,0,0,0,0,0|1,0,1]=3 83 B13R1.45 CC(O)CNC(=O)c1ccccc1 11a_100000210904_100000185807 [1,0,0,0,0,0|2,0,0]=3 84 B13R1.45 CC(O)CNC(=O)c1ccccc1 240690a_100000210904_100000185807 [1,0,0,0,0,0|2,0,0]=3 85 B13R1.45 CC(O)CNC(=O)c1ccccc1 527a_100000210904_100000185807 [1,0,0,0,0,0|2,0,0]=3 86 B13R1.45 CN(C)CCC(=O)c1ccccc1 2230a_100102631434_100000750707 [1,0,0,0,0,0|1,0,1]=3 87 B13R1.45 CN(C)CCC(=O)c1ccccc1 269982a_100102631434_100000750707 [1,0,0,0,0,0|1,0,1]=3 88 B13R1.45 CN(C)CCS(=O)c1ccccc1 2230a_100102631434_100000740319 [1,0,0,0,0,0|2,0,1]=4 89 B13R1.45 CN(C)CCS(=O)c1ccccc1 269982a_100102631434_100000740319 [1,0,0,0,0,0|2,0,1]=4 90 B13R1.45 CN(C)COC(=O)c1ccccc1 269982a_100102631434_100000073877 [1,0,0,0,0,0|2,0,0]=3 91 B13R1.45 O=C(NCC(F)F)c1ccccc1 11a_100000765723_100000185807 [1,0,0,0,0,0|3,0,0]=4 92 B13R1.45 O=C(NCC(F)F)c1ccccc1 1626a_100000765723_100000185807 [1,0,0,0,0,0|3,0,0]=4 93 B13R1.45 O=C(NCC(F)F)c1ccccc1 240690a_100000765723_100000185807 [1,0,0,0,0,0|3,0,0]=4 94 B13R1.45 O=C(NCC(F)F)c1ccccc1 527a_100000765723_100000185807 [1,0,0,0,0,0|3,0,0]=4 95 B13R1.45 [13CH3]C(=O)CNC(=O)c1ccccc1 1458a_100000182045_200025704644 [1,0,0,0,0,0|2,0,1]=4 96 B15R1.523 C=CC(NC(C)C(C)C)c1ccccc1 2230a_100000211541_200000085779 [0,1,0,0,0,0|2,0,1]=4 97 B15R1.1097 C=CC(=NNC(C)CC)c1ccccc1 4a_100000718999_200000750708 [0,1,0,0,0,0|3,0,0]=4 98 B15R1.1097 C=CC(NCC(C)CC)c1ccccc1 2230a_100020588543_200000085779 [0,1,0,0,0,0|2,0,1]=4 99 B15R1.1097 C=CC(NC[C@@H](C)OC)c1ccccc1 2230a_100020591295_200000085779 [0,1,0,0,0,0|2,0,1]=4 100 B15R1.1097 C=CC(OCC(C)CC)c1ccccc1 34a_100011215659_100000748023 [0,1,0,0,0,0|2,0,1]=4 101 B15R1.1097 C=CC(OCC(C)CC)c1ccccc1 7a_100011215659_100000748023 [0,1,0,0,0,0|2,0,1]=4 102 B15R1.1097 C=CC(OC[C@@H](C)CC)c1ccccc1 34a_100011215659_100009816398 [0,1,0,0,0,0|2,0,1]=4 103 B15R1.1097 C=CC(OC[C@@H](C)CC)c1ccccc1 7a_100011215659_100009816398 [0,1,0,0,0,0|2,0,1]=4 104 B15R1.1097 C=CC(OC[C@@H](C)CO)c1ccccc1 34a_100011215659_100000059175 [0,1,0,0,0,0|2,0,1]=4 105 B15R1.1097 C=CC(OC[C@@H](C)CO)c1ccccc1 7a_100011215659_100000059175 [0,1,0,0,0,0|2,0,1]=4 106 B15R1.1097 C=CC(SCC(C)CC)c1ccccc1 62a_100000748023_200000085779 [0,1,0,0,0,0|2,0,1]=4 107 B15R1.1097 C=CC(SCC(C)CC)c1ccccc1 62a_200000085779_100000748023 [0,1,0,0,0,0|2,0,1]=4 108 B15R1.1097 C=CC(SC[C@@H](C)CC)c1ccccc1 62a_100009816398_200000085779 [0,1,0,0,0,0|2,0,1]=4 109 B15R1.1097 C=CC(SC[C@@H](C)CC)c1ccccc1 62a_200000085779_100009816398 [0,1,0,0,0,0|2,0,1]=4 110 B15R1.1097 C=CC(SC[C@@H](C)CO)c1ccccc1 62a_100000059175_200000085779 [0,1,0,0,0,0|2,0,1]=4 111 B15R1.1097 C=CC(SC[C@@H](C)CO)c1ccccc1 62a_200000085779_100000059175 [0,1,0,0,0,0|2,0,1]=4 112 B15R1.1299 C=C=CC(=NNC(C)C)c1ccccc1 4a_100000741168_100010632647 [0,1,0,0,0,0|3,0,0]=4 113 B15R1.1299 C=CCC(OCC(C)C)c1ccccc1 34a_100000687291_100000210624 [0,1,0,0,0,0|2,0,1]=4 114 B15R1.1299 C=CCC(OCC(C)C)c1ccccc1 7a_100000687291_100000210760 [0,1,0,0,0,0|2,0,1]=4 115 B15R1.1299 C=CCN(CCC(C)C)c1ccccc1 2230a_100000211662_100000210312 [0,1,0,0,0,0|2,0,1]=4 116 B15R1.1299 C=CCN(CCC(C)C)c1ccccc1 269982a_100000211662_100000210312 [0,1,0,0,0,0|2,0,1]=4 117 B15R1.1299 C=CCN(CCC(C)C)c1ccccc1 34a_100000211662_100000210312 [0,1,0,0,0,0|2,0,1]=4 118 B15R1.1299 CC(C)NN=C(C=C[O-])c1ccccc1 4a_100000741168_100000198476 [0,1,0,0,0,0|2,0,1]=4 119 B15R1.1299 CC(C)NN=C(C=NO)c1ccccc1 4a_100000741168_100016272100 [0,1,0,0,0,0|2,0,1]=4 120 B15R1.1299 CC=CC(=NNC(C)C)c1ccccc1 4a_100000741168_100000719237 [0,1,0,0,0,0|3,0,0]=4 121 B15R1.1299 CN(C)CCN(CC=O)c1ccccc1 269982a_200000219566_200015260668 [0,1,0,0,0,0|2,0,1]=4 122 B15R1.1350 C=CC(c1ccccc1)N(C)CC(C)C 2230a_100000747067_200000085779 [0,1,0,0,0,0|2,0,1]=4 123 B15R1.1350 C=CC(c1ccccc1)N(C)CC(C)C 269982a_100000747067_200000085779 [0,1,0,0,0,0|2,0,1]=4 124 B15R1.1350 CC(C)CC(=O)C(CO)c1ccccc1 1458a_100011218805_100000210624 [0,1,0,0,0,0|0,0,3]=4 125 B15R1.1350 CCC(C(=O)CC(C)C)c1ccccc1 1458a_100000211302_100000210624 [0,1,0,0,0,0|1,0,2]=4 126 B15R1.1350 CCN(C(=O)CC(C)C)c1ccccc1 11a_100000210013_100000210554 [0,1,0,0,0,0|2,0,1]=4 127 B15R1.1350 CCN(C(=O)CC(C)C)c1ccccc1 1626a_100000210013_100000210554 [0,1,0,0,0,0|2,0,1]=4 128 B15R1.1350 CCN(C(=O)CC(C)C)c1ccccc1 22a_100000210013_100000210554 [0,1,0,0,0,0|2,0,1]=4 129 B15R1.1350 CO[C@@H](C(=O)CC(C)C)c1ccccc1 1458a_100000698336_100000210624 [0,1,0,0,0,0|2,0,1]=4 130 B15R1.5334 C=CC(=NNC(C)(C)C)c1ccccc1 4a_100000725372_200000750708 [0,1,0,0,0,0|3,0,0]=4 131 B15R1.5334 C=CC(NCC(C)(C)C)c1ccccc1 2230a_100000743828_200000085779 [0,1,0,0,0,0|2,0,1]=4 132 B15R1.5334 C=CC(NCC(C)(C)F)c1ccccc1 2230a_100020643315_200000085779 [0,1,0,0,0,0|2,0,1]=4 133 B15R1.5334 C=CC(NCC(C)(C)O)c1ccccc1 2230a_100000751335_200000085779 [0,1,0,0,0,0|2,0,1]=4 134 B15R1.5334 C=CC(OCC(C)(C)C)c1ccccc1 34a_100011215659_100011219605 [0,1,0,0,0,0|2,0,1]=4 135 B15R1.5334 C=CC(OCC(C)(C)F)c1ccccc1 34a_100011215659_100011997219 [0,1,0,0,0,0|2,0,1]=4 136 B15R1.5334 C=CC(OCC(C)(C)O)c1ccccc1 34a_100011215659_100000764493 [0,1,0,0,0,0|2,0,1]=4 137 B15R1.5334 C=CC(OCC(C)(C)O)c1ccccc1 7a_100011215659_100000764493 [0,1,0,0,0,0|2,0,1]=4 138 B15R1.5334 C=CC(SCC(C)(C)C)c1ccccc1 62a_100011219605_200000085779 [0,1,0,0,0,0|2,0,1]=4 139 B15R1.5334 C=CC(SCC(C)(C)C)c1ccccc1 62a_200000085779_100011219605 [0,1,0,0,0,0|2,0,1]=4 140 B15R1.5334 C=CC(SCC(C)(C)F)c1ccccc1 62a_100011997219_200000085779 [0,1,0,0,0,0|2,0,1]=4 141 B15R1.5334 C=CC(SCC(C)(C)F)c1ccccc1 62a_200000085779_100011997219 [0,1,0,0,0,0|2,0,1]=4 142 B15R1.5334 C=CC(SCC(C)(C)O)c1ccccc1 62a_100000764493_200000085779 [0,1,0,0,0,0|2,0,1]=4 143 B15R1.5334 C=CC(SCC(C)(C)O)c1ccccc1 62a_200000085779_100000764493 [0,1,0,0,0,0|2,0,1]=4 144 B15R1.12293 C=C(C)C(OCC(C)C)c1ccccc1 34a_200011216824_100000210624 [0,1,0,0,0,0|2,0,1]=4 145 B15R1.12293 C=C(C)C(OCC(C)C)c1ccccc1 7a_200011216824_100000210760 [0,1,0,0,0,0|2,0,1]=4 146 B15R1.12293 CC(=O)C(NCC(C)C)c1ccccc1 2230a_100000210953_100009888967 [0,1,0,0,0,0|1,0,1]=3 147 B15R1.12293 CC(=O)C(NCC(C)O)c1ccccc1 2230a_100000210904_100009888967 [0,1,0,0,0,0|2,0,1]=4 148 B15R1.12293 CC(=O)C(SCC(C)C)c1ccccc1 62a_100000210624_100009888967 [0,1,0,0,0,0|1,0,1]=3 149 B15R1.12293 CC(=O)C(SCC(C)C)c1ccccc1 62a_100009888967_100000210760 [0,1,0,0,0,0|1,0,1]=3 150 B15R1.12293 CC(=O)C(SCC(C)O)c1ccccc1 62a_100009888967_100011218427 [0,1,0,0,0,0|2,0,1]=4 151 B15R1.12293 CC(=O)C(SCC(C)O)c1ccccc1 62a_100011218427_100009888967 [0,1,0,0,0,0|2,0,1]=4 152 B15R1.12293 CC(=O)C(SC[C@@H](C)O)c1ccccc1 62a_100009817552_100009888967 [0,1,0,0,0,0|2,0,1]=4 153 B15R1.12293 CC(=O)C(SC[C@@H](C)O)c1ccccc1 62a_100009888967_100009817552 [0,1,0,0,0,0|2,0,1]=4 154 B15R1.12293 CC(=O)N(CCN(C)C)c1ccccc1 11a_200000219566_100015343762 [0,1,0,0,0,0|2,0,1]=4 155 B15R1.12293 CC(=O)N(CCN(C)C)c1ccccc1 1626a_200000219566_100015343762 [0,1,0,0,0,0|2,0,1]=4 156 B15R1.12293 CC(=O)N(CCN(C)C)c1ccccc1 22a_200000219566_100000070787 [0,1,0,0,0,0|2,0,1]=4 157 B15R1.12293 CC(C)CNC(C(=O)N)c1ccccc1 2230a_100000210953_100000188848 [0,1,0,0,0,0|1,0,1]=3 158 B15R1.12293 CC(C)CNC(C(=O)O)c1ccccc1 269956a_100000230147_100000210760 [0,1,0,0,0,0|1,0,1]=3 159 B15R1.12293 CC(C)CNC(C(=O)O)c1ccccn1 269956a_200016167988_100000210760 [0,1,0,0,0,0|2,0,1]=4 160 B15R1.12293 CC(C)CN[C@@H](C(=O)N)c1ccccc1 2230a_100011423151_100000210760 [0,1,0,0,0,0|1,0,1]=3 161 B15R1.12293 CC(C)CN[C@@H](C(=O)N)c1ccccc1 270004a_100011423151_100000210432 [0,1,0,0,0,0|1,0,1]=3 162 B15R1.12293 CC(C)COC(C(=O)N)c1ccccc1 34a_100011200849_100000210624 [0,1,0,0,0,0|1,0,1]=3 163 B15R1.12293 CC(C)COC(C(=O)N)c1ccccc1 7a_100011200849_100000210760 [0,1,0,0,0,0|1,0,1]=3 164 B15R1.12293 CC(C)CSC(C(=O)N)c1ccccc1 62a_100000188848_100000210760 [0,1,0,0,0,0|1,0,1]=3 165 B15R1.12293 CC(C)CSC(C(=O)N)c1ccccc1 62a_100000210624_100000188848 [0,1,0,0,0,0|1,0,1]=3 166 B15R1.12293 CC(C)NCC(C(=O)O)c1ccccc1 269956a_100000722792_100000210206 [0,1,0,0,0,0|1,0,2]=4 167 B15R1.12293 CC(O)CNC(C(=O)N)c1ccccc1 2230a_100000210904_100000188848 [0,1,0,0,0,0|2,0,1]=4 168 B15R1.12293 CC(O)CNC(C(=O)O)c1ccccc1 269956a_100000230147_100011218427 [0,1,0,0,0,0|2,0,1]=4 169 B15R1.12293 CC(O)CN[C@@H](C(=O)N)c1ccccc1 2230a_100011423151_100011218427 [0,1,0,0,0,0|2,0,1]=4 170 B15R1.12293 CC(O)COC(C(=O)N)c1ccccc1 34a_100011200849_100011218427 [0,1,0,0,0,0|2,0,1]=4 171 B15R1.12293 CC(O)COC(C(=O)N)c1ccccc1 7a_100011200849_100011218427 [0,1,0,0,0,0|2,0,1]=4 172 B15R1.12293 CC(O)CSC(C(=O)N)c1ccccc1 62a_100000188848_100011218427 [0,1,0,0,0,0|2,0,1]=4 173 B15R1.12293 CC(O)CSC(C(=O)N)c1ccccc1 62a_100011218427_100000188848 [0,1,0,0,0,0|2,0,1]=4 174 B15R1.12293 C[C@@H](O)CNC(C(=O)O)c1ccccc1 269956a_100000230147_100009817552 [0,1,0,0,0,0|2,0,1]=4 175 B15R1.12293 C[C@@H](O)CN[C@@H](C(=O)N)c1ccccc1 2230a_100011423151_100009817552 [0,1,0,0,0,0|2,0,1]=4 176 B15R1.12293 C[C@@H](O)COC(C(=O)N)c1ccccc1 34a_100011200849_100009817552 [0,1,0,0,0,0|2,0,1]=4 177 B15R1.12293 C[C@@H](O)COC(C(=O)N)c1ccccc1 7a_100011200849_100009817552 [0,1,0,0,0,0|2,0,1]=4 178 B15R1.12293 C[C@@H](O)CSC(C(=O)N)c1ccccc1 62a_100000188848_100009817552 [0,1,0,0,0,0|2,0,1]=4 179 B15R1.12293 C[C@@H](O)CSC(C(=O)N)c1ccccc1 62a_100009817552_100000188848 [0,1,0,0,0,0|2,0,1]=4 180 B15R2.6 CC(C)C=Cc1c[nH]c2c1cccn2 271570a_100016257149_100011934613 [0,0,0,1,0,0|2,0,1]=4 181 B15R2.6 CC(C)C=Cc1c[nH]c2c1ccnc2 271570a_100016257149_100010232032 [0,0,0,1,0,0|2,0,1]=4 182 B15R2.6 CC(C)C=Cc1c[nH]c2c1cncc2 271570a_100016257149_100011934843 [0,0,0,1,0,0|2,0,1]=4 183 B15R2.6 CC(C)C=Cc1c[nH]c2c1nccc2 271570a_100016257149_100009817151 [0,0,0,1,0,0|2,0,1]=4 184 B15R2.6 CC(C)C=Cc1cnc2n1cccc2 271570a_100016257149_100011219245 [0,0,0,1,0,0|2,0,1]=4 185 B15R2.6 CC(C)C=Cc1cnn2c1cccc2 271570a_100016257149_100009817726 [0,0,0,1,0,0|2,0,1]=4 186 B15R2.6 CC(C)C=Cc1coc2c1cccc2 271570a_100016257149_100009812202 [0,0,0,1,0,0|0,0,2]=3 187 B15R2.6 CC(C)C=Cc1coc2c1nccc2 271570a_100016257149_100009889148 [0,0,0,1,0,0|1,0,2]=4 188 B15R2.6 CC(C)C=Cc1csc2c1cccc2 271570a_100016257149_100009813928 [0,0,0,1,0,0|0,1,1]=3 189 B15R2.6 CC(C)C=Cc1csc2c1cccn2 271570a_100016257149_100009830249 [0,0,0,1,0,0|1,1,1]=4 190 B15R2.6 CC(C)C=Cc1csc2c1ccnc2 271570a_100016257149_100009817111 [0,0,0,1,0,0|1,1,1]=4 191 B15R2.6 CC(C)C=Cc1csc2c1cncc2 271570a_100016257149_100010247091 [0,0,0,1,0,0|1,1,1]=4 192 B15R2.6 CC(C)C=Cc1csc2c1nccc2 271570a_100016257149_100010247092 [0,0,0,1,0,0|1,1,1]=4 193 B15R2.6 CC(C)C=Cc1n[nH]c2c1cccc2 271570a_100016257149_100000050141 [0,0,0,1,0,0|2,0,1]=4 194 B15R2.6 CC(C)COc1csc2c1cccc2 34a_100000077758_100000210624 [0,0,0,1,0,0|1,1,0]=3 195 B15R2.6 CC(C)COc1csc2c1cccc2 7a_100000077758_100000210760 [0,0,0,1,0,0|1,1,0]=3 196 B15R2.6 CC(C)CSc1c[nH]c2c1cccn2 62a_100000210624_100011934613 [0,0,0,1,0,0|3,0,0]=4 197 B15R2.6 CC(C)CSc1c[nH]c2c1ccnc2 62a_100000210624_100010232032 [0,0,0,1,0,0|3,0,0]=4 198 B15R2.6 CC(C)CSc1c[nH]c2c1cncc2 62a_100000210624_100000753697 [0,0,0,1,0,0|3,0,0]=4 199 B15R2.6 CC(C)CSc1c[nH]c2c1nccc2 62a_100000210624_100009817151 [0,0,0,1,0,0|3,0,0]=4 200 B15R2.6 CC(C)CSc1cnc2n1cccc2 62a_100000210624_100011219245 [0,0,0,1,0,0|3,0,0]=4 201 B15R2.6 CC(C)CSc1cnn2c1cccc2 62a_100000210624_100009817726 [0,0,0,1,0,0|3,0,0]=4 202 B15R2.6 CC(C)CSc1coc2c1cccc2 62a_100000210624_100009812202 [0,0,0,1,0,0|1,0,1]=3 203 B15R2.6 CC(C)CSc1coc2c1nccc2 62a_100000210624_100009889148 [0,0,0,1,0,0|2,0,1]=4 204 B15R2.6 CC(C)CSc1csc2c1cccc2 62a_100000210624_100009813928 [0,0,0,1,0,0|1,1,0]=3 205 B15R2.6 CC(C)CSc1csc2c1cccn2 62a_100000210624_100009830249 [0,0,0,1,0,0|2,1,0]=4 206 B15R2.6 CC(C)CSc1csc2c1cccn2 62a_100009830249_100000210760 [0,0,0,1,0,0|2,1,0]=4 207 B15R2.6 CC(C)CSc1csc2c1ccnc2 62a_100000210624_100009817111 [0,0,0,1,0,0|2,1,0]=4 208 B15R2.6 CC(C)CSc1csc2c1ccnc2 62a_100009817111_100000210760 [0,0,0,1,0,0|2,1,0]=4 209 B15R2.6 CC(C)CSc1csc2c1cncc2 62a_100000210624_100010247091 [0,0,0,1,0,0|2,1,0]=4 210 B15R2.6 CC(C)CSc1csc2c1cncc2 62a_100010247091_100000210760 [0,0,0,1,0,0|2,1,0]=4 211 B15R2.6 CC(C)CSc1csc2c1nccc2 62a_100000210624_100010247092 [0,0,0,1,0,0|2,1,0]=4 212 B15R2.6 CC(C)CSc1n[nH]c2c1cccc2 62a_100000210624_100000050141 [0,0,0,1,0,0|3,0,0]=4 213 B15R2.6 CC(C)CSc1noc2c1cccc2 62a_100000210624_200000703156 [0,0,0,1,0,0|2,0,1]=4 214 B15R2.6 CC(C)CSc1noc2c1cccc2 62a_200000703156_100000210760 [0,0,0,1,0,0|2,0,1]=4 215 B15R2.6 CC(C)NCc1coc2c1cccc2 207a_100138425928_100000688544 [0,0,0,1,0,0|1,0,2]=4 216 B15R2.6 CC(C)NCc1csc2c1cccc2 207a_100138425928_100000239721 [0,0,0,1,0,0|1,1,1]=4 217 B15R2.6 CC(C)NCc1csc2c1cccc2 2230a_100138425928_200000742921 [0,0,0,1,0,0|1,1,1]=4 218 B15R2.6 CC(C)NCc1csc2c1cccc2 34a_100000744611_100000210206 [0,0,0,1,0,0|1,1,1]=4 219 B15R2.6 CC(C)NCc1csc2c1cccc2 34a_100138425928_200000742921 [0,0,0,1,0,0|1,1,1]=4 220 B15R2.6 CC(C)OCc1csc2c1cccc2 34a_100000212225_200000742921 [0,0,0,1,0,0|1,1,1]=4 221 B15R2.6 CC(C)OCc1csc2c1cccc2 34a_100011219454_100000210206 [0,0,0,1,0,0|1,1,1]=4 222 B15R2.6 CC(C)SCc1csc2c1cccc2 62a_100000210206_200000742921 [0,0,0,1,0,0|1,1,1]=4 223 B15R2.6 CC(C)SCc1csc2c1cccc2 62a_200000742921_100000210206 [0,0,0,1,0,0|1,1,1]=4 224 B15R2.6 CC(O)C=Cc1coc2c1cccc2 271570a_200011019289_100009812202 [0,0,0,1,0,0|1,0,2]=4 225 B15R2.6 CC(O)C=Cc1csc2c1cccc2 271570a_200011019289_100009813928 [0,0,0,1,0,0|1,1,1]=4 226 B15R2.6 CC(O)COc1csc2c1cccc2 34a_100000077758_100011218427 [0,0,0,1,0,0|2,1,0]=4 227 B15R2.6 CC(O)COc1csc2c1cccc2 7a_100000077758_100011218427 [0,0,0,1,0,0|2,1,0]=4 228 B15R2.6 CC(O)CSc1coc2c1cccc2 62a_100011218427_100009812202 [0,0,0,1,0,0|2,0,1]=4 229 B15R2.6 CC(O)CSc1csc2c1cccc2 62a_100011218427_100009813928 [0,0,0,1,0,0|2,1,0]=4 230 B15R2.6 CN(C)CCc1c[nH]c2c1cccc2 2230a_100102631434_100011218569 [0,0,0,1,0,0|2,0,1]=4 231 B15R2.6 CN(C)CCc1c[nH]c2c1cccc2 269982a_100102631434_100011218569 [0,0,0,1,0,0|2,0,1]=4 232 B15R2.6 C[C@@H](O)COc1csc2c1cccc2 34a_100000077758_100009817552 [0,0,0,1,0,0|2,1,0]=4 233 B15R2.6 C[C@@H](O)COc1csc2c1cccc2 7a_100000077758_100009817552 [0,0,0,1,0,0|2,1,0]=4 234 B15R2.6 C[C@@H](O)CSc1coc2c1cccc2 62a_100009817552_100009812202 [0,0,0,1,0,0|2,0,1]=4 235 B15R2.6 C[C@@H](O)CSc1csc2c1cccc2 62a_100009817552_100009813928 [0,0,0,1,0,0|2,1,0]=4 236 B15R2.59 CC(C)c1nc(cs1)c2ccccc2 271570a_100011218836_200011934575 [0,0,0,1,0,0|1,1,1]=4 237 B15R2.59 CC(C)n1cc(cn1)c2ccccc2 271570a_100000070172_100000210277 [0,0,0,1,0,0|2,0,0]=3 238 B15R2.59 CC(C)n1cc(cn1)c2ccccc2 271570a_100011218836_100012073297 [0,0,0,1,0,0|2,0,0]=3 239 B15R2.59 CC(C)n1cc(cn1)c2ccccn2 271570a_100000070172_100011216584 [0,0,0,1,0,0|3,0,0]=4 240 B15R2.59 CC(C)n1cc(cn1)c2ccccn2 271570a_100011264011_100012073297 [0,0,0,1,0,0|3,0,0]=4 241 B15R2.59 CC(C)n1cc(cn1)c2cccnc2 271570a_100000070172_100000752921 [0,0,0,1,0,0|3,0,0]=4 242 B15R2.59 CC(C)n1cc(cn1)c2cccnc2 271570a_100000757648_100012073297 [0,0,0,1,0,0|3,0,0]=4 243 B15R2.59 CC(C)n1cc(cn1)c2ccncc2 271570a_100000070172_100000035832 [0,0,0,1,0,0|3,0,0]=4 244 B15R2.59 CC(C)n1cc(cn1)c2ccncc2 271570a_100000752145_100012073297 [0,0,0,1,0,0|3,0,0]=4 245 B15R2.59 CC(C)n1cc(nn1)c2ccccc2 274090a_100000210206_100000210518 [0,0,0,1,0,0|3,0,0]=4 246 B15R2.59 CC(C)n1ccc(n1)c2ccccc2 271570a_100011218836_100012351941 [0,0,0,1,0,0|3,0,0]=4 247 B15R2.59 CC(C)n1ccc(n1)c2ccccc2 271570a_100012352795_100000210277 [0,0,0,1,0,0|3,0,0]=4 248 B15R2.59 CC(C)n1cnc(c1)c2ccccc2 271570a_100011218836_100010368367 [0,0,0,1,0,0|3,0,0]=4 249 B15R2.59 CC(N)c1cc(cs1)c2ccccc2 271570a_100011218836_100159270200 [0,0,0,1,0,0|1,1,1]=4 250 B15R2.389 CN1CCN(C(=O)C1)c2ccccc2 2230a_100000707252_200000210301 [0,0,0,1,0,0|2,0,1]=4 251 B15R2.389 CN1CCN(C(=O)C1)c2ccccc2 269982a_100000707252_200000210301 [0,0,0,1,0,0|2,0,1]=4 252 B15R2.389 Cc1ncc(c(=O)[nH]1)c2ccccc2 271570a_100011218836_100011999157 [0,0,0,1,0,0|2,0,1]=4 253 B15R2.389 [13CH3]N1CCN(C(=O)C1)c2ccccc2 2230a_100000707252_200025704644 [0,0,0,1,0,0|2,0,1]=4 254 B15R2.389 [13CH3]N1CCN(C(=O)C1)c2ccccc2 269982a_100000707252_200025704644 [0,0,0,1,0,0|2,0,1]=4 255 B15R2.467 CC1(CC=C(CC1)c2ccccc2)C 271570a_100000069032_100000210277 [0,0,0,1,0,0|1,0,1]=3 256 B15R2.467 CC1(CC=C(CC1)c2ccccn2)C 271570a_100000069032_100011216584 [0,0,0,1,0,0|2,0,1]=4 257 B15R2.467 CC1(CC=C(CC1)c2cccnc2)C 271570a_100000069032_100000752921 [0,0,0,1,0,0|2,0,1]=4 258 B15R2.467 CC1(CC=C(CC1)c2ccncc2)C 271570a_100000069032_100000035832 [0,0,0,1,0,0|2,0,1]=4 259 B15R2.1327 C=CC(=NNC1CC1)c2ccccc2 4a_100000701032_200000750708 [0,0,0,1,0,0|3,0,0]=4 260 B15R2.1327 C=CC(NCC1CC1)c2ccccc2 2230a_100000735609_200000085779 [0,0,0,1,0,0|2,0,1]=4 261 B15R2.1327 C=CC(OCC1CC1)c2ccccc2 34a_100011215659_100000742324 [0,0,0,1,0,0|2,0,1]=4 262 B15R2.1327 C=CC(OCC1CC1)c2ccccc2 7a_100011215659_100000742324 [0,0,0,1,0,0|2,0,1]=4 263 B15R2.1327 C=CC(SCC1CC1)c2ccccc2 62a_100000756562_200000085779 [0,0,0,1,0,0|2,0,1]=4 264 B15R2.1327 C=CC(SCC1CC1)c2ccccc2 62a_200000085779_100000742324 [0,0,0,1,0,0|2,0,1]=4 265 B15R2.2173 C=CC(c1ccccc1)N2CC(C2)C 2230a_100000702820_200000085779 [0,0,0,1,0,0|2,0,1]=4 266 B15R2.2173 C=CC(c1ccccc1)N2CC(C2)C 269982a_100000702820_200000085779 [0,0,0,1,0,0|2,0,1]=4 267 B13R1.713 C=CC(NC(C)C)c1ccccc1 2230a_100138425928_200000085779 [0,0,0,0,1,0|2,0,1]=4 268 B13R1.713 C=CC(OC(C)C)c1ccccc1 34a_100011215659_100000210206 [0,0,0,0,1,0|2,0,1]=4 269 B13R1.713 C=CC(OC(C)C)c1ccccc1 7a_100011215659_100000210206 [0,0,0,0,1,0|2,0,1]=4 270 B13R1.713 C=CC(SC(C)C)c1ccccc1 62a_100000210206_200000085779 [0,0,0,0,1,0|2,0,1]=4 271 B13R1.713 C=CC(SC(C)C)c1ccccc1 62a_200000085779_100000210206 [0,0,0,0,1,0|2,0,1]=4 272 B13R1.713 CC(C)C[C@H](N[13CH3])c1ccccc1 2230a_100016987908_200025704644 [0,0,0,0,1,0|2,0,1]=4 273 B13R1.713 CCN(CC(C)C)c1ccccc1 2230a_100000210013_100000210760 [0,0,0,0,1,0|2,0,1]=4 274 B13R1.713 CCN(CC(C)C)c1ccccc1 269982a_100000210013_100000210624 [0,0,0,0,1,0|2,0,1]=4 275 B13R1.713 CCN(CC(C)C)c1ccccc1 34a_100000210013_100000210624 [0,0,0,0,1,0|2,0,1]=4 276 B13R1.713 CNC(CC(C)C)c1ccccc1 269862a_106832991636_100000211545 [0,0,0,0,1,0|2,0,1]=4 277 B13R1.713 CN[C@@H](CC(C)C)c1ccccc1 2230a_100016987908_200000210301 [0,0,0,0,1,0|2,0,1]=4 278 B15R1.5331 C/C=C(/C=NNC(C)C)\c1ccccc1 4a_100000741168_200015352894 [0,0,0,0,0,1|2,0,0]=3 279 B15R1.5331 C=CC(=NNCC(C)O)c1ccccc1 4a_200000730056_200000750708 [0,0,0,0,0,1|3,0,0]=4 280 B15R1.5331 C=CC(OCCC(C)C)c1ccccc1 34a_100011215659_100000210312 [0,0,0,0,0,1|1,0,2]=4 281 B15R1.5331 C=CC(OCCC(C)C)c1ccccc1 7a_100011215659_100000210626 [0,0,0,0,0,1|1,0,2]=4 282 B15R1.5331 C=CC(OCOC(C)C)c1ccccc1 34a_100011215659_100000709892 [0,0,0,0,0,1|2,0,1]=4 283 B15R1.5331 C=CC(SCCC(C)C)c1ccccc1 62a_100000210312_200000085779 [0,0,0,0,0,1|1,0,2]=4 284 B15R1.5331 C=CC(SCCC(C)C)c1ccccc1 62a_200000085779_100000210312 [0,0,0,0,0,1|1,0,2]=4 285 B15R1.5331 C=CC(SCOC(C)C)c1ccccc1 62a_100000709892_200000085779 [0,0,0,0,0,1|2,0,1]=4 286 B15R1.5331 C=CC(SCOC(C)C)c1ccccc1 62a_200000085779_100000709892 [0,0,0,0,0,1|2,0,1]=4 287 B12R1.30 CCCCC(=O)c1ccccc1 1458a_100000185807_100000210211 [2,0,0,0,0,0|0,0,1]=3 288 B12R1.30 CCCNC(=O)c1ccccc1 11a_100020643023_100000185807 [2,0,0,0,0,0|1,0,0]=3 289 B12R1.30 CCCNC(=O)c1ccccc1 1626a_100020643023_100000185807 [2,0,0,0,0,0|1,0,0]=3 290 B12R1.30 CCCNC(=O)c1ccccc1 240690a_100020643023_100000185807 [2,0,0,0,0,0|1,0,0]=3 291 B12R1.30 CCCNC(=O)c1ccccc1 527a_100020643023_100000185807 [2,0,0,0,0,0|1,0,0]=3 292 B12R1.30 CCNNC(=O)c1ccccc1 22a_100000756455_100000185807 [2,0,0,0,0,0|2,0,0]=4 293 B12R1.30 CCSCC(=O)c1ccccc1 62a_100000210202_100000211460 [2,0,0,0,0,0|1,0,1]=4 294 B12R1.30 CCSCC(=O)c1ccccc1 62a_100000211460_100000210202 [2,0,0,0,0,0|1,0,1]=4 295 B12R1.30 CNCCC(=O)c1ccccc1 2230a_106832991635_100000750707 [2,0,0,0,0,0|1,0,1]=4 296 B12R1.30 CNCCC(=O)c1ccccc1 7a_106832991635_100000750707 [2,0,0,0,0,0|1,0,1]=4 297 B12R1.30 CNCOC(=O)c1ccccc1 7a_106832991635_100000073877 [2,0,0,0,0,0|2,0,0]=4 298 B12R1.30 COCCC(=O)c1ccccc1 1458a_100000185807_100000233755 [2,0,0,0,0,0|1,0,1]=4 299 B12R1.30 CSCCC(=O)c1ccccc1 1458a_100000185807_100000751147 [2,0,0,0,0,0|1,0,1]=4 300 B12R1.30 CSCCC(=O)c1ccccc1 62a_100000750707_200000210301 [2,0,0,0,0,0|1,0,1]=4 301 B12R1.30 CSCCC(=O)c1ccccc1 62a_200000210301_100000750707 [2,0,0,0,0,0|1,0,1]=4 302 B12R1.30 CSCOC(=O)c1ccccc1 62a_100000073877_200000210301 [2,0,0,0,0,0|2,0,0]=4 303 B12R1.30 CSCOC(=O)c1ccccc1 62a_200000210301_100000073877 [2,0,0,0,0,0|2,0,0]=4 304 B12R1.30 O=C(CCCF)c1ccccc1 1458a_100000185807_100011934791 [2,0,0,0,0,0|1,0,1]=4 305 B12R1.30 O=C(CCCO)c1ccccc1 1458a_100000185807_100011215043 [2,0,0,0,0,0|1,0,1]=4 306 B12R1.30 O=C(NCCF)c1ccccc1 11a_100000724931_100000185807 [2,0,0,0,0,0|2,0,0]=4 307 B12R1.30 O=C(NCCF)c1ccccc1 1626a_100000724931_100000185807 [2,0,0,0,0,0|2,0,0]=4 308 B12R1.30 O=C(NCCF)c1ccccc1 240690a_100000724931_100000185807 [2,0,0,0,0,0|2,0,0]=4 309 B12R1.30 O=C(NCCF)c1ccccc1 527a_100000724931_100000185807 [2,0,0,0,0,0|2,0,0]=4 310 B12R1.30 O=C(NCCO)c1ccccc1 240690a_100000210304_100000185807 [2,0,0,0,0,0|2,0,0]=4 311 B12R1.30 O=C(NCCO)c1ccccc1 527a_100000210304_100000185807 [2,0,0,0,0,0|2,0,0]=4 312 B12R1.30 [13CH3]SCCC(=O)c1ccccc1 62a_100000750707_200025704644 [2,0,0,0,0,0|1,0,1]=4 313 B12R1.30 [13CH3]SCCC(=O)c1ccccc1 62a_200025704644_100000750707 [2,0,0,0,0,0|1,0,1]=4 314 B12R1.30 [13CH3]SCOC(=O)c1ccccc1 62a_100000073877_200025704644 [2,0,0,0,0,0|2,0,0]=4 315 B12R1.30 [13CH3]SCOC(=O)c1ccccc1 62a_200025704644_100000073877 [2,0,0,0,0,0|2,0,0]=4 316 B12R1.252 CC(=O)C/C=C/c1ccccc1 1458a_100000070787_100016265936 [2,0,0,0,0,0|1,0,1]=4 317 B12R1.252 CC(=O)C/C=C/c1ccccc1 1458a_100011219626_200000210301 [2,0,0,0,0,0|1,0,1]=4 318 B12R1.252 CC(C)CC=Cc1ccccc1 271570a_100016259101_100000210277 [2,0,0,0,0,0|0,0,0]=2 319 B12R1.252 CC(C)CC=Cc1ccccn1 271570a_100016259101_100011216584 [2,0,0,0,0,0|1,0,0]=3 320 B12R1.252 CC(C)CC=Cc1cccnc1 271570a_100016259101_100000752921 [2,0,0,0,0,0|1,0,0]=3 321 B12R1.252 CC(C)CC=Cc1cccnn1 271570a_100016259101_100016991348 [2,0,0,0,0,0|2,0,0]=4 322 B12R1.252 CC(C)CC=Cc1ccncc1 271570a_100016259101_100000035832 [2,0,0,0,0,0|1,0,0]=3 323 B12R1.252 CC(C)CC=Cc1ccncn1 271570a_100016259101_100000703185 [2,0,0,0,0,0|2,0,0]=4 324 B12R1.252 CC(C)CC=Cc1ccnnc1 271570a_100016259101_100000732662 [2,0,0,0,0,0|2,0,0]=4 325 B12R1.252 CC(C)CC=Cc1cnccn1 271570a_100016259101_100000758340 [2,0,0,0,0,0|2,0,0]=4 326 B12R1.252 CC(C)CC=Cc1cncnc1 271570a_100016259101_100011206942 [2,0,0,0,0,0|2,0,0]=4 327 B12R1.252 CC(C)CC=Cc1ncccn1 271570a_100016259101_100000211032 [2,0,0,0,0,0|2,0,0]=4 328 B12R1.252 CC(C)CCNc1ccccc1 34a_100000106764_100000210312 [2,0,0,0,0,0|1,0,1]=4 329 B12R1.252 CC(C)CCOc1ccccc1 34a_100000210340_100000210312 [2,0,0,0,0,0|1,0,1]=4 330 B12R1.252 CC(C)CCOc1ccccc1 7a_100000210340_100000210626 [2,0,0,0,0,0|1,0,1]=4 331 B12R1.252 CC(C)CCSc1ccccc1 62a_100000210312_100000041952 [2,0,0,0,0,0|1,0,1]=4 332 B12R1.252 CC(C)CCSc1ccccc1 62a_100000719477_100000210312 [2,0,0,0,0,0|1,0,1]=4 333 B12R1.252 CC(C)CNCc1ccccc1 207a_100000210953_100015611070 [2,0,0,0,0,0|1,0,1]=4 334 B12R1.252 CC(C)CNCc1ccccc1 2230a_100000210953_100015291786 [2,0,0,0,0,0|1,0,1]=4 335 B12R1.252 CC(C)CNCc1ccccc1 2230a_100015324214_100000210760 [2,0,0,0,0,0|1,0,1]=4 336 B12R1.252 CC(C)CNCc1ccccc1 270004a_100000210953_100015611070 [2,0,0,0,0,0|1,0,1]=4 337 B12R1.252 CC(C)CNCc1ccccc1 270004a_100015324214_100000210432 [2,0,0,0,0,0|1,0,1]=4 338 B12R1.252 CC(C)CNCc1ccccc1 34a_100000210953_100015291786 [2,0,0,0,0,0|1,0,1]=4 339 B12R1.252 CC(C)CNCc1ccccc1 34a_100015324214_100000210624 [2,0,0,0,0,0|1,0,1]=4 340 B12R1.252 CC(C)COCc1ccccc1 34a_100000210257_100015291786 [2,0,0,0,0,0|1,0,1]=4 341 B12R1.252 CC(C)COCc1ccccc1 34a_100000210790_100000210624 [2,0,0,0,0,0|1,0,1]=4 342 B12R1.252 CC(C)COCc1ccccc1 7a_100000210790_100000210760 [2,0,0,0,0,0|1,0,1]=4 343 B12R1.252 CC(C)CSCc1ccccc1 62a_100000210624_100015291786 [2,0,0,0,0,0|1,0,1]=4 344 B12R1.252 CC(C)CSCc1ccccc1 62a_100000211182_100000210760 [2,0,0,0,0,0|1,0,1]=4 345 B12R1.252 CC(C)NN=Cc1ccccc1 4a_100000741168_100015611070 [2,0,0,0,0,0|2,0,0]=4 346 B12R1.252 CN(C)C/C=C/c1ccccc1 2230a_100102631434_100016265936 [2,0,0,0,0,0|1,0,0]=3 347 B12R1.252 CN(C)C/C=C/c1ccccc1 269982a_100102631434_100016265936 [2,0,0,0,0,0|1,0,0]=3 348 B12R1.252 CN(C)CC=Cc1ccccc1 270004a_100102631434_100000210105 [2,0,0,0,0,0|1,0,0]=3 349 B12R1.252 [13CH3]C(=O)C/C=C/c1ccccc1 1458a_100011219626_200025704644 [2,0,0,0,0,0|1,0,1]=4 350 B14R1.121 C/C=C(/C=NNCC)\c1ccccc1 4a_100000756455_200015352894 [1,1,0,0,0,0|2,0,0]=4 351 B14R1.121 C=CC(=NNCCC)c1ccccc1 4a_100000740057_200000750708 [1,1,0,0,0,0|2,0,0]=4 352 B14R1.171 CCCCN(CC=O)c1ccccc1 2230a_100000211623_200015260668 [1,1,0,0,0,0|1,0,1]=4 353 B14R1.171 CCCCN(CC=O)c1ccccc1 269982a_100000211623_200015260668 [1,1,0,0,0,0|1,0,1]=4 354 B14R1.171 CCCCN(CC=O)c1ccccc1 34a_100000211623_200009817547 [1,1,0,0,0,0|1,0,1]=4 355 B14R1.178 CCCCN(C(=O)C)c1ccccc1 11a_100000211623_100015343762 [1,1,0,0,0,0|1,0,1]=4 356 B14R1.178 CCCCN(C(=O)C)c1ccccc1 1626a_100000211623_100015343762 [1,1,0,0,0,0|1,0,1]=4 357 B14R1.178 CCCCN(C(=O)C)c1ccccc1 22a_100000211623_100000070787 [1,1,0,0,0,0|1,0,1]=4 358 B14R1.178 CCCNC(C(=O)O)c1ccccc1 269956a_100000230147_100000210207 [1,1,0,0,0,0|1,0,1]=4 359 B14R1.178 CCCN[C@@H](C(=O)N)c1ccccc1 2230a_100011423151_100000210303 [1,1,0,0,0,0|1,0,1]=4 360 B14R1.178 CCCOC(C(=O)N)c1ccccc1 34a_100011200849_100000210303 [1,1,0,0,0,0|1,0,1]=4 361 B14R1.178 CCCOC(C(=O)N)c1ccccc1 7a_100011200849_100000210303 [1,1,0,0,0,0|1,0,1]=4 362 B14R1.178 CCCSC(C(=O)C)c1ccccc1 62a_100000210303_100009888967 [1,1,0,0,0,0|1,0,1]=4 363 B14R1.178 CCCSC(C(=O)C)c1ccccc1 62a_100009888967_100000210303 [1,1,0,0,0,0|1,0,1]=4 364 B14R1.178 CCCSC(C(=O)N)c1ccccc1 62a_100000188848_100000210303 [1,1,0,0,0,0|1,0,1]=4 365 B14R1.178 CCCSC(C(=O)N)c1ccccc1 62a_100000210303_100000188848 [1,1,0,0,0,0|1,0,1]=4 366 B14R1.149 CC(C)CCC(=O)c1cccc(c1)Br 1458a_100000210664_100000210312 [1,1,0,0,0,0|0,0,1]=3 367 B14R1.149 CC(C)CCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000210312 [1,1,0,0,0,0|0,0,1]=3 368 B14R1.149 CC(C)CCC(=O)c1cccc(c1)F 1458a_100000210950_100000210312 [1,1,0,0,0,0|0,0,1]=3 369 B14R1.149 CC(C)CCC(=O)c1cccc(c1)I 1458a_100000184098_100000210312 [1,1,0,0,0,0|0,0,1]=3 370 B14R1.149 CC(C)CCC(=O)c1cccc(c1)O 1458a_100000183914_100000210312 [1,1,0,0,0,0|0,0,1]=3 371 B14R1.149 CC(C)CNC(=O)c1cccc(c1)Br 11a_100000210953_100000210664 [1,1,0,0,0,0|1,0,0]=3 372 B14R1.149 CC(C)CNC(=O)c1cccc(c1)Br 1626a_100000210953_100000210664 [1,1,0,0,0,0|1,0,0]=3 373 B14R1.149 CC(C)CNC(=O)c1cccc(c1)Br 240690a_100000210953_100000210664 [1,1,0,0,0,0|1,0,0]=3 374 B14R1.149 CC(C)CNC(=O)c1cccc(c1)Br 527a_100000210953_100000210664 [1,1,0,0,0,0|1,0,0]=3 375 B14R1.149 CC(C)CNC(=O)c1cccc(c1)Cl 11a_100000210953_100000210390 [1,1,0,0,0,0|1,0,0]=3 376 B14R1.149 CC(C)CNC(=O)c1cccc(c1)Cl 1626a_100000210953_100000210390 [1,1,0,0,0,0|1,0,0]=3 377 B14R1.149 CC(C)CNC(=O)c1cccc(c1)Cl 240690a_100000210953_100000210390 [1,1,0,0,0,0|1,0,0]=3 378 B14R1.149 CC(C)CNC(=O)c1cccc(c1)Cl 527a_100000210953_100000210390 [1,1,0,0,0,0|1,0,0]=3 379 B14R1.149 CC(C)CNC(=O)c1cccc(c1)F 11a_100000210953_100000210950 [1,1,0,0,0,0|1,0,0]=3 380 B14R1.149 CC(C)CNC(=O)c1cccc(c1)F 1626a_100000210953_100000210950 [1,1,0,0,0,0|1,0,0]=3 381 B14R1.149 CC(C)CNC(=O)c1cccc(c1)F 240690a_100000210953_100000210950 [1,1,0,0,0,0|1,0,0]=3 382 B14R1.149 CC(C)CNC(=O)c1cccc(c1)F 527a_100000210953_100000210950 [1,1,0,0,0,0|1,0,0]=3 383 B14R1.149 CC(C)CNC(=O)c1cccc(c1)I 11a_100000210953_100000184098 [1,1,0,0,0,0|1,0,0]=3 384 B14R1.149 CC(C)CNC(=O)c1cccc(c1)I 1626a_100000210953_100000184098 [1,1,0,0,0,0|1,0,0]=3 385 B14R1.149 CC(C)CNC(=O)c1cccc(c1)I 240690a_100000210953_100000184098 [1,1,0,0,0,0|1,0,0]=3 386 B14R1.149 CC(C)CNC(=O)c1cccc(c1)I 527a_100000210953_100000184098 [1,1,0,0,0,0|1,0,0]=3 387 B14R1.149 CC(C)CNC(=O)c1cccc(c1)O 240690a_100000210953_100000183914 [1,1,0,0,0,0|1,0,0]=3 388 B14R1.149 CC(C)CNC(=O)c1cccc(c1)O 527a_100000210953_100000183914 [1,1,0,0,0,0|1,0,0]=3 389 B14R1.149 CC(C)NCC(=O)c1cccc(c1)Br 2230a_100138425928_100000212080 [1,1,0,0,0,0|1,0,1]=4 390 B14R1.149 CC(C)NCC(=O)c1cccc(c1)Br 34a_100138425928_100000212080 [1,1,0,0,0,0|1,0,1]=4 391 B14R1.149 CC(C)NCC(=O)c1cccc(c1)Cl 2230a_100138425928_100000211444 [1,1,0,0,0,0|1,0,1]=4 392 B14R1.149 CC(C)NCC(=O)c1cccc(c1)Cl 34a_100138425928_100000211444 [1,1,0,0,0,0|1,0,1]=4 393 B14R1.149 CC(C)NCC(=O)c1cccc(c1)F 2230a_100138425928_100000215616 [1,1,0,0,0,0|1,0,1]=4 394 B14R1.149 CC(C)NCC(=O)c1cccc(c1)F 34a_100138425928_100000215616 [1,1,0,0,0,0|1,0,1]=4 395 B14R1.149 CC(C)NCC(=O)c1cccc(c1)O 34a_100138425928_100009813753 [1,1,0,0,0,0|1,0,1]=4 396 B14R1.149 CC(C)NNC(=O)c1cccc(c1)Br 22a_100000741168_100000210664 [1,1,0,0,0,0|2,0,0]=4 397 B14R1.149 CC(C)NNC(=O)c1cccc(c1)Cl 22a_100000741168_100000210390 [1,1,0,0,0,0|2,0,0]=4 398 B14R1.149 CC(C)NNC(=O)c1cccc(c1)F 22a_100000741168_100000210950 [1,1,0,0,0,0|2,0,0]=4 399 B14R1.149 CC(C)NNC(=O)c1cccc(c1)I 22a_100000741168_100000184098 [1,1,0,0,0,0|2,0,0]=4 400 B14R1.149 CC(C)NNC(=O)c1cccc(c1)O 22a_100000741168_100000183914 [1,1,0,0,0,0|2,0,0]=4 401 B14R1.149 CC(C)OCC(=O)c1cccc(c1)Br 34a_100000212225_100000212080 [1,1,0,0,0,0|1,0,1]=4 402 B14R1.149 CC(C)OCC(=O)c1cccc(c1)Cl 34a_100000212225_100000211444 [1,1,0,0,0,0|1,0,1]=4 403 B14R1.149 CC(C)OCC(=O)c1cccc(c1)Cl 7a_200011592804_100000210206 [1,1,0,0,0,0|1,0,1]=4 404 B14R1.149 CC(C)OCC(=O)c1cccc(c1)F 34a_100000212225_100000215616 [1,1,0,0,0,0|1,0,1]=4 405 B14R1.149 CC(C)OCC(=O)c1cccc(c1)F 34a_100011592800_100000210206 [1,1,0,0,0,0|1,0,1]=4 406 B14R1.149 CC(C)OCC(=O)c1cccc(c1)F 7a_100011592800_100000210206 [1,1,0,0,0,0|1,0,1]=4 407 B14R1.149 CC(C)OCC(=O)c1cccc(c1)O 34a_100000212225_100009813753 [1,1,0,0,0,0|1,0,1]=4 408 B14R1.149 CC(C)SCC(=O)c1cccc(c1)Br 62a_100000210206_100000212080 [1,1,0,0,0,0|1,0,1]=4 409 B14R1.149 CC(C)SCC(=O)c1cccc(c1)Br 62a_100000212080_100000210206 [1,1,0,0,0,0|1,0,1]=4 410 B14R1.149 CC(C)SCC(=O)c1cccc(c1)Cl 62a_100000210206_100000211444 [1,1,0,0,0,0|1,0,1]=4 411 B14R1.149 CC(C)SCC(=O)c1cccc(c1)Cl 62a_100000211444_100000210206 [1,1,0,0,0,0|1,0,1]=4 412 B14R1.149 CC(C)SCC(=O)c1cccc(c1)F 62a_100000210206_100000215616 [1,1,0,0,0,0|1,0,1]=4 413 B14R1.149 CC(C)SCC(=O)c1cccc(c1)F 62a_100000215616_100000210206 [1,1,0,0,0,0|1,0,1]=4 414 B14R1.149 CC(C)SCC(=O)c1cccc(c1)O 62a_100000210206_100009813753 [1,1,0,0,0,0|1,0,1]=4 415 B14R1.149 CC(C)SCC(=O)c1cccc(c1)O 62a_100009813753_100000210206 [1,1,0,0,0,0|1,0,1]=4 416 B14R1.149 CC(O)CCC(=O)c1cccc(c1)Br 1458a_100000210664_100012276601 [1,1,0,0,0,0|1,0,1]=4 417 B14R1.149 CC(O)CCC(=O)c1cccc(c1)Cl 1458a_100000210390_100012276601 [1,1,0,0,0,0|1,0,1]=4 418 B14R1.149 CC(O)CCC(=O)c1cccc(c1)F 1458a_100000210950_100012276601 [1,1,0,0,0,0|1,0,1]=4 419 B14R1.149 CC(O)CCC(=O)c1cccc(c1)I 1458a_100000184098_100012276601 [1,1,0,0,0,0|1,0,1]=4 420 B14R1.149 CC(O)CCC(=O)c1cccc(c1)O 1458a_100000183914_100012276601 [1,1,0,0,0,0|1,0,1]=4 421 B14R1.149 CC(O)CNC(=O)c1cccc(c1)Br 11a_100000210904_100000210664 [1,1,0,0,0,0|2,0,0]=4 422 B14R1.149 CC(O)CNC(=O)c1cccc(c1)Br 240690a_100000210904_100000210664 [1,1,0,0,0,0|2,0,0]=4 423 B14R1.149 CC(O)CNC(=O)c1cccc(c1)Br 527a_100000210904_100000210664 [1,1,0,0,0,0|2,0,0]=4 424 B14R1.149 CC(O)CNC(=O)c1cccc(c1)Cl 11a_100000210904_100000210390 [1,1,0,0,0,0|2,0,0]=4 425 B14R1.149 CC(O)CNC(=O)c1cccc(c1)Cl 240690a_100000210904_100000210390 [1,1,0,0,0,0|2,0,0]=4 426 B14R1.149 CC(O)CNC(=O)c1cccc(c1)Cl 527a_100000210904_100000210390 [1,1,0,0,0,0|2,0,0]=4 427 B14R1.149 CC(O)CNC(=O)c1cccc(c1)F 11a_100000210904_100000210950 [1,1,0,0,0,0|2,0,0]=4 428 B14R1.149 CC(O)CNC(=O)c1cccc(c1)F 240690a_100000210904_100000210950 [1,1,0,0,0,0|2,0,0]=4 429 B14R1.149 CC(O)CNC(=O)c1cccc(c1)F 527a_100000210904_100000210950 [1,1,0,0,0,0|2,0,0]=4 430 B14R1.149 CC(O)CNC(=O)c1cccc(c1)I 11a_100000210904_100000184098 [1,1,0,0,0,0|2,0,0]=4 431 B14R1.149 CC(O)CNC(=O)c1cccc(c1)I 240690a_100000210904_100000184098 [1,1,0,0,0,0|2,0,0]=4 432 B14R1.149 CC(O)CNC(=O)c1cccc(c1)I 527a_100000210904_100000184098 [1,1,0,0,0,0|2,0,0]=4 433 B14R1.149 CC(O)CNC(=O)c1cccc(c1)O 240690a_100000210904_100000183914 [1,1,0,0,0,0|2,0,0]=4 434 B14R1.149 CC(O)CNC(=O)c1cccc(c1)O 527a_100000210904_100000183914 [1,1,0,0,0,0|2,0,0]=4 435 B14R1.149 CN(C)/C=C/C(=O)c1cccc(c1)O 271570a_203496583355_200016267342 [1,1,0,0,0,0|1,0,1]=4 436 B14R1.149 Cc1cccc(c1)C(=O)CCC(C)C 1458a_100000189346_100000210312 [1,1,0,0,0,0|0,0,1]=3 437 B14R1.149 Cc1cccc(c1)C(=O)CCC(C)O 1458a_100000189346_100012276601 [1,1,0,0,0,0|1,0,1]=4 438 B14R1.149 Cc1cccc(c1)C(=O)CNC(C)C 2230a_100138425928_100000739480 [1,1,0,0,0,0|1,0,1]=4 439 B14R1.149 Cc1cccc(c1)C(=O)CNC(C)C 34a_100138425928_100000739480 [1,1,0,0,0,0|1,0,1]=4 440 B14R1.149 Cc1cccc(c1)C(=O)COC(C)C 34a_100000212225_100000739480 [1,1,0,0,0,0|1,0,1]=4 441 B14R1.149 Cc1cccc(c1)C(=O)CSC(C)C 62a_100000210206_100000739480 [1,1,0,0,0,0|1,0,1]=4 442 B14R1.149 Cc1cccc(c1)C(=O)CSC(C)C 62a_100000739480_100000210206 [1,1,0,0,0,0|1,0,1]=4 443 B14R1.149 Cc1cccc(c1)C(=O)NCC(C)C 11a_100000210953_100000189346 [1,1,0,0,0,0|1,0,0]=3 444 B14R1.149 Cc1cccc(c1)C(=O)NCC(C)C 1626a_100000210953_100000189346 [1,1,0,0,0,0|1,0,0]=3 445 B14R1.149 Cc1cccc(c1)C(=O)NCC(C)C 240690a_100000210953_100000189346 [1,1,0,0,0,0|1,0,0]=3 446 B14R1.149 Cc1cccc(c1)C(=O)NCC(C)C 527a_100000210953_100000189346 [1,1,0,0,0,0|1,0,0]=3 447 B14R1.149 Cc1cccc(c1)C(=O)NCC(C)O 11a_100000210904_100000189346 [1,1,0,0,0,0|2,0,0]=4 448 B14R1.149 Cc1cccc(c1)C(=O)NCC(C)O 240690a_100000210904_100000189346 [1,1,0,0,0,0|2,0,0]=4 449 B14R1.149 Cc1cccc(c1)C(=O)NCC(C)O 527a_100000210904_100000189346 [1,1,0,0,0,0|2,0,0]=4 450 B14R1.149 Cc1cccc(c1)C(=O)NNC(C)C 22a_100000741168_100000189346 [1,1,0,0,0,0|2,0,0]=4 451 B14R1.160 CC(C)CCC(=O)c1ccccc1Br 1458a_100000188424_100000210312 [1,1,0,0,0,0|0,0,1]=3 452 B14R1.160 CC(C)CCC(=O)c1ccccc1Cl 1458a_100000185844_100000210312 [1,1,0,0,0,0|0,0,1]=3 453 B14R1.160 CC(C)CCC(=O)c1ccccc1F 1458a_100000188656_100000210312 [1,1,0,0,0,0|0,0,1]=3 454 B14R1.160 CC(C)CCC(=O)c1ccccc1I 1458a_100000187884_100000210312 [1,1,0,0,0,0|0,0,1]=3 455 B14R1.160 CC(C)CCC(=O)c1ccccc1O 1458a_100015234032_100000210312 [1,1,0,0,0,0|0,0,1]=3 456 B14R1.160 CC(C)CCC(=O)c1ccccc1[O-] 1458a_100009911694_100000210312 [1,1,0,0,0,0|0,0,1]=3 457 B14R1.160 CC(C)CNC(=O)c1ccccc1Br 11a_100000210953_100000188424 [1,1,0,0,0,0|1,0,0]=3 458 B14R1.160 CC(C)CNC(=O)c1ccccc1Br 1626a_100000210953_100000188424 [1,1,0,0,0,0|1,0,0]=3 459 B14R1.160 CC(C)CNC(=O)c1ccccc1Br 240690a_100000210953_100000188424 [1,1,0,0,0,0|1,0,0]=3 460 B14R1.160 CC(C)CNC(=O)c1ccccc1Br 527a_100000210953_100000188424 [1,1,0,0,0,0|1,0,0]=3 461 B14R1.160 CC(C)CNC(=O)c1ccccc1Cl 11a_100000210953_100000185844 [1,1,0,0,0,0|1,0,0]=3 462 B14R1.160 CC(C)CNC(=O)c1ccccc1Cl 1626a_100000210953_100000185844 [1,1,0,0,0,0|1,0,0]=3 463 B14R1.160 CC(C)CNC(=O)c1ccccc1Cl 240690a_100000210953_100000185844 [1,1,0,0,0,0|1,0,0]=3 464 B14R1.160 CC(C)CNC(=O)c1ccccc1Cl 527a_100000210953_100000185844 [1,1,0,0,0,0|1,0,0]=3 465 B14R1.160 CC(C)CNC(=O)c1ccccc1F 11a_100000210953_100000188656 [1,1,0,0,0,0|1,0,0]=3 466 B14R1.160 CC(C)CNC(=O)c1ccccc1F 1626a_100000210953_100000188656 [1,1,0,0,0,0|1,0,0]=3 467 B14R1.160 CC(C)CNC(=O)c1ccccc1F 240690a_100000210953_100000188656 [1,1,0,0,0,0|1,0,0]=3 468 B14R1.160 CC(C)CNC(=O)c1ccccc1F 527a_100000210953_100000188656 [1,1,0,0,0,0|1,0,0]=3 469 B14R1.160 CC(C)CNC(=O)c1ccccc1I 11a_100000210953_100000187884 [1,1,0,0,0,0|1,0,0]=3 470 B14R1.160 CC(C)CNC(=O)c1ccccc1I 1626a_100000210953_100000187884 [1,1,0,0,0,0|1,0,0]=3 471 B14R1.160 CC(C)CNC(=O)c1ccccc1I 240690a_100000210953_100000187884 [1,1,0,0,0,0|1,0,0]=3 472 B14R1.160 CC(C)CNC(=O)c1ccccc1I 527a_100000210953_100000187884 [1,1,0,0,0,0|1,0,0]=3 473 B14R1.160 CC(C)CNC(=O)c1ccccc1O 240690a_100000210953_100015234032 [1,1,0,0,0,0|1,0,0]=3 474 B14R1.160 CC(C)CNC(=O)c1ccccc1O 271570a_203496583355_200000155729 [1,1,0,0,0,0|1,0,0]=3 475 B14R1.160 CC(C)CNC(=O)c1ccccc1[O-] 1626a_100000210953_100009911694 [1,1,0,0,0,0|1,0,0]=3 476 B14R1.160 CC(C)CNC(=O)c1ccccc1[O-] 240690a_100000210953_100009911694 [1,1,0,0,0,0|1,0,0]=3 477 B14R1.160 CC(C)CNC(=O)c1ccccc1[O-] 527a_100000210953_100009911694 [1,1,0,0,0,0|1,0,0]=3 478 B14R1.160 CC(C)NCC(=O)c1ccccc1Br 34a_100138425928_100000199116 [1,1,0,0,0,0|1,0,1]=4 479 B14R1.160 CC(C)NCC(=O)c1ccccc1Cl 34a_100138425928_100000211432 [1,1,0,0,0,0|1,0,1]=4 480 B14R1.160 CC(C)NCC(=O)c1ccccc1F 34a_100138425928_100000204681 [1,1,0,0,0,0|1,0,1]=4 481 B14R1.160 CC(C)NNC(=O)c1ccccc1Br 22a_100000741168_100000188424 [1,1,0,0,0,0|2,0,0]=4 482 B14R1.160 CC(C)NNC(=O)c1ccccc1Cl 22a_100000741168_100000185844 [1,1,0,0,0,0|2,0,0]=4 483 B14R1.160 CC(C)NNC(=O)c1ccccc1F 22a_100000741168_100000188656 [1,1,0,0,0,0|2,0,0]=4 484 B14R1.160 CC(C)NNC(=O)c1ccccc1I 22a_100000741168_100000187884 [1,1,0,0,0,0|2,0,0]=4 485 B14R1.160 CC(C)NNC(=O)c1ccccc1O 22a_100000741168_100015234032 [1,1,0,0,0,0|2,0,0]=4 486 B14R1.160 CC(C)NNC(=O)c1ccccc1[O-] 22a_100000741168_100009911694 [1,1,0,0,0,0|2,0,0]=4 487 B14R1.160 CC(C)OCC(=O)c1ccccc1Br 34a_100000212225_100000199116 [1,1,0,0,0,0|1,0,1]=4 488 B14R1.160 CC(C)OCC(=O)c1ccccc1Cl 34a_100000212225_100000211432 [1,1,0,0,0,0|1,0,1]=4 489 B14R1.160 CC(C)OCC(=O)c1ccccc1F 34a_100000212225_100000204681 [1,1,0,0,0,0|1,0,1]=4 490 B14R1.160 CC(C)SCC(=O)c1ccccc1Br 62a_100000199116_100000210206 [1,1,0,0,0,0|1,0,1]=4 491 B14R1.160 CC(C)SCC(=O)c1ccccc1Cl 62a_100000210206_100000211432 [1,1,0,0,0,0|1,0,1]=4 492 B14R1.160 CC(C)SCC(=O)c1ccccc1Cl 62a_100000211432_100000210206 [1,1,0,0,0,0|1,0,1]=4 493 B14R1.160 CC(C)SCC(=O)c1ccccc1F 62a_100000204681_100000210206 [1,1,0,0,0,0|1,0,1]=4 494 B14R1.160 CC(C)SCC(=O)c1ccccc1F 62a_100000210206_100000204681 [1,1,0,0,0,0|1,0,1]=4 495 B14R1.160 CC(C)SCC(=O)c1ccccc1O 62a_100000188908_100000210206 [1,1,0,0,0,0|1,0,1]=4 496 B14R1.160 CC(C)SCC(=O)c1ccccc1O 62a_100000210206_100000188908 [1,1,0,0,0,0|1,0,1]=4 497 B14R1.160 CC(O)CCC(=O)c1ccccc1Br 1458a_100000188424_100012276601 [1,1,0,0,0,0|1,0,1]=4 498 B14R1.160 CC(O)CCC(=O)c1ccccc1Cl 1458a_100000185844_100012276601 [1,1,0,0,0,0|1,0,1]=4 499 B14R1.160 CC(O)CCC(=O)c1ccccc1F 1458a_100000188656_100012276601 [1,1,0,0,0,0|1,0,1]=4 500 B14R1.160 CC(O)CCC(=O)c1ccccc1I 1458a_100000187884_100012276601 [1,1,0,0,0,0|1,0,1]=4 501 B14R1.160 CC(O)CCC(=O)c1ccccc1O 1458a_100015234032_100012276601 [1,1,0,0,0,0|1,0,1]=4 502 B14R1.160 CC(O)CCC(=O)c1ccccc1[O-] 1458a_100009911694_100012276601 [1,1,0,0,0,0|1,0,1]=4 503 B14R1.160 CC(O)CNC(=O)c1ccccc1Br 11a_100000210904_100000188424 [1,1,0,0,0,0|2,0,0]=4 504 B14R1.160 CC(O)CNC(=O)c1ccccc1Br 240690a_100000210904_100000188424 [1,1,0,0,0,0|2,0,0]=4 505 B14R1.160 CC(O)CNC(=O)c1ccccc1Br 527a_100000210904_100000188424 [1,1,0,0,0,0|2,0,0]=4 506 B14R1.160 CC(O)CNC(=O)c1ccccc1Cl 11a_100000210904_100000185844 [1,1,0,0,0,0|2,0,0]=4 507 B14R1.160 CC(O)CNC(=O)c1ccccc1Cl 240690a_100000210904_100000185844 [1,1,0,0,0,0|2,0,0]=4 508 B14R1.160 CC(O)CNC(=O)c1ccccc1Cl 527a_100000210904_100000185844 [1,1,0,0,0,0|2,0,0]=4 509 B14R1.160 CC(O)CNC(=O)c1ccccc1F 11a_100000210904_100000188656 [1,1,0,0,0,0|2,0,0]=4 510 B14R1.160 CC(O)CNC(=O)c1ccccc1F 240690a_100000210904_100000188656 [1,1,0,0,0,0|2,0,0]=4 511 B14R1.160 CC(O)CNC(=O)c1ccccc1F 527a_100000210904_100000188656 [1,1,0,0,0,0|2,0,0]=4 512 B14R1.160 CC(O)CNC(=O)c1ccccc1I 11a_100000210904_100000187884 [1,1,0,0,0,0|2,0,0]=4 513 B14R1.160 CC(O)CNC(=O)c1ccccc1I 240690a_100000210904_100000187884 [1,1,0,0,0,0|2,0,0]=4 514 B14R1.160 CC(O)CNC(=O)c1ccccc1I 527a_100000210904_100000187884 [1,1,0,0,0,0|2,0,0]=4 515 B14R1.160 CC(O)CNC(=O)c1ccccc1O 240690a_100000210904_100015234032 [1,1,0,0,0,0|2,0,0]=4 516 B14R1.160 CC(O)CNC(=O)c1ccccc1[O-] 240690a_100000210904_100009911694 [1,1,0,0,0,0|2,0,0]=4 517 B14R1.160 CC(O)CNC(=O)c1ccccc1[O-] 527a_100000210904_100009911694 [1,1,0,0,0,0|2,0,0]=4 518 B14R1.160 CN(C)CCC(=O)c1ccccc1F 2230a_100102631434_100000086012 [1,1,0,0,0,0|1,0,1]=4 519 B14R1.160 CN(C)CCC(=O)c1ccccc1F 269982a_100102631434_100000086012 [1,1,0,0,0,0|1,0,1]=4 520 B14R1.160 CN(C)CCC(=O)c1ccccc1O 269982a_100102631434_100009873196 [1,1,0,0,0,0|1,0,1]=4 521 B14R1.160 Cc1ccccc1C(=O)CCC(C)C 1458a_100000212026_100000210312 [1,1,0,0,0,0|0,0,1]=3 522 B14R1.160 Cc1ccccc1C(=O)CCC(C)O 1458a_100000212026_100012276601 [1,1,0,0,0,0|1,0,1]=4 523 B14R1.160 Cc1ccccc1C(=O)CNC(C)C 2230a_100138425928_100000741374 [1,1,0,0,0,0|1,0,1]=4 524 B14R1.160 Cc1ccccc1C(=O)CNC(C)C 34a_100138425928_100000741374 [1,1,0,0,0,0|1,0,1]=4 525 B14R1.160 Cc1ccccc1C(=O)COC(C)C 34a_100000212225_100000741374 [1,1,0,0,0,0|1,0,1]=4 526 B14R1.160 Cc1ccccc1C(=O)CSC(C)C 62a_100000210206_100000741374 [1,1,0,0,0,0|1,0,1]=4 527 B14R1.160 Cc1ccccc1C(=O)CSC(C)C 62a_100000741374_100000210206 [1,1,0,0,0,0|1,0,1]=4 528 B14R1.160 Cc1ccccc1C(=O)NCC(C)C 11a_100000210953_100000212026 [1,1,0,0,0,0|1,0,0]=3 529 B14R1.160 Cc1ccccc1C(=O)NCC(C)C 1626a_100000210953_100000212026 [1,1,0,0,0,0|1,0,0]=3 530 B14R1.160 Cc1ccccc1C(=O)NCC(C)C 240690a_100000210953_100000212026 [1,1,0,0,0,0|1,0,0]=3 531 B14R1.160 Cc1ccccc1C(=O)NCC(C)C 527a_100000210953_100000212026 [1,1,0,0,0,0|1,0,0]=3 532 B14R1.160 Cc1ccccc1C(=O)NCC(C)O 11a_100000210904_100000212026 [1,1,0,0,0,0|2,0,0]=4 533 B14R1.160 Cc1ccccc1C(=O)NCC(C)O 240690a_100000210904_100000212026 [1,1,0,0,0,0|2,0,0]=4 534 B14R1.160 Cc1ccccc1C(=O)NCC(C)O 527a_100000210904_100000212026 [1,1,0,0,0,0|2,0,0]=4 535 B14R1.160 Cc1ccccc1C(=O)NNC(C)C 22a_100000741168_100000212026 [1,1,0,0,0,0|2,0,0]=4 536 B14R1.163 CC(CCC(=O)c1ccccc1)O[13CH3] 7a_200012571355_200025704644 [1,1,0,0,0,0|0,0,1]=3 537 B14R1.163 CC(CF)OCC(=O)c1ccccc1 7a_100016041109_100000211460 [1,1,0,0,0,0|1,0,1]=4 538 B14R1.163 CC(CO)CNC(=O)c1ccccc1 240690a_100000744482_100000185807 [1,1,0,0,0,0|1,0,0]=3 539 B14R1.163 CC(CO)CNC(=O)c1ccccc1 527a_100000744482_100000185807 [1,1,0,0,0,0|1,0,0]=3 540 B14R1.163 CC(CO)SCC(=O)c1ccccc1 62a_100012180447_100000211460 [1,1,0,0,0,0|1,0,1]=4 541 B14R1.163 CCC(C)CNC(=O)c1ccccc1 11a_100020588543_100000185807 [1,1,0,0,0,0|1,0,0]=3 542 B14R1.163 CCC(C)CNC(=O)c1ccccc1 1626a_100020588543_100000185807 [1,1,0,0,0,0|1,0,0]=3 543 B14R1.163 CCC(C)CNC(=O)c1ccccc1 240690a_100020588543_100000185807 [1,1,0,0,0,0|1,0,0]=3 544 B14R1.163 CCC(C)CNC(=O)c1ccccc1 527a_100020588543_100000185807 [1,1,0,0,0,0|1,0,0]=3 545 B14R1.163 CCC(C)NNC(=O)c1ccccc1 22a_100000718999_100000185807 [1,1,0,0,0,0|2,0,0]=4 546 B14R1.163 CCC(C)OCC(=O)c1ccccc1 7a_100000210228_100000211460 [1,1,0,0,0,0|1,0,1]=4 547 B14R1.163 CCC(C)SCC(=O)c1ccccc1 62a_100000211460_100000758301 [1,1,0,0,0,0|1,0,1]=4 548 B14R1.163 CCC(C)SCC(=O)c1ccccc1 62a_100000758301_100000211460 [1,1,0,0,0,0|1,0,1]=4 549 B14R1.163 CCC(O)CNC(=O)c1ccccc1 11a_100011218483_100000185807 [1,1,0,0,0,0|2,0,0]=4 550 B14R1.163 CCC(O)CNC(=O)c1ccccc1 240690a_100011218483_100000185807 [1,1,0,0,0,0|2,0,0]=4 551 B14R1.163 CCC(O)CNC(=O)c1ccccc1 527a_100011218483_100000185807 [1,1,0,0,0,0|2,0,0]=4 552 B14R1.163 CCN(C)CCC(=O)c1ccccc1 2230a_100000225621_100000750707 [1,1,0,0,0,0|1,0,1]=4 553 B14R1.163 CCN(C)CCC(=O)c1ccccc1 269982a_100000225621_100000750707 [1,1,0,0,0,0|1,0,1]=4 554 B14R1.163 CCN(C)COC(=O)c1ccccc1 269982a_100000225621_100000073877 [1,1,0,0,0,0|2,0,0]=4 555 B14R1.163 CNC(C)COC(=O)c1ccccc1 270004a_106832991635_100000000904 [1,1,0,0,0,0|1,0,0]=3 556 B14R1.163 COC(C)CCC(=O)c1ccccc1 7a_200012571355_200000210301 [1,1,0,0,0,0|0,0,1]=3 557 B14R1.163 COC(C)SCC(=O)c1ccccc1 62a_100000211460_100009879195 [1,1,0,0,0,0|1,0,1]=4 558 B14R1.163 COC(C)SCC(=O)c1ccccc1 62a_100009879195_100000211460 [1,1,0,0,0,0|1,0,1]=4 559 B14R1.163 CO[C@H](C)CNC(=O)c1ccccc1 11a_100020591295_100000185807 [1,1,0,0,0,0|1,0,0]=3 560 B14R1.163 CO[C@H](C)CNC(=O)c1ccccc1 1626a_100020591295_100000185807 [1,1,0,0,0,0|1,0,0]=3 561 B14R1.163 CO[C@H](C)CNC(=O)c1ccccc1 240690a_100020591295_100000185807 [1,1,0,0,0,0|1,0,0]=3 562 B14R1.163 CO[C@H](C)CNC(=O)c1ccccc1 527a_100020591295_100000185807 [1,1,0,0,0,0|1,0,0]=3 563 B14R1.163 C[C@H](CO)SCC(=O)c1ccccc1 62a_100000211460_100016084084 [1,1,0,0,0,0|1,0,1]=4 564 B14R1.163 C[C@H](CO)SCC(=O)c1ccccc1 62a_100016084084_100000211460 [1,1,0,0,0,0|1,0,1]=4 565 B14R1.163 O=C(NC[C@@H](F)CO)c1ccccc1 240690a_100015665980_100000185807 [1,1,0,0,0,0|2,0,0]=4 566 B14R1.163 O=C(NC[C@@H](F)CO)c1ccccc1 527a_100015665980_100000185807 [1,1,0,0,0,0|2,0,0]=4 567 B14R1.163 O=C(NC[C@H](O)CO)c1ccccc1 240690a_100020644852_100000185807 [1,1,0,0,0,0|2,0,0]=4 568 B14R1.163 O=C(NC[C@H](O)CO)c1ccccc1 527a_100020644852_100000185807 [1,1,0,0,0,0|2,0,0]=4 569 B14R1.415 CC(=CC(=O)C(C)C)c1ccccc1 1458a_100000743005_100000210206 [1,1,0,0,0,0|0,0,2]=4 570 B14R1.415 CC(C)C(=O)CC(=O)c1ccccc1 1458a_100000185807_100000753385 [1,1,0,0,0,0|0,0,2]=4 571 B14R1.415 CC(C)C(=O)CC(=O)c1ccccc1 1458a_100000210198_100000211460 [1,1,0,0,0,0|0,0,2]=4 572 B14R1.415 CC(C)C(C)NC(=O)c1ccccc1 11a_100000211541_100000185807 [1,1,0,0,0,0|1,0,0]=3 573 B14R1.415 CC(C)C(C)NC(=O)c1ccccc1 1626a_100000211541_100000185807 [1,1,0,0,0,0|1,0,0]=3 574 B14R1.415 CC(C)C(C)NC(=O)c1ccccc1 240690a_100000211541_100000185807 [1,1,0,0,0,0|1,0,0]=3 575 B14R1.415 CC(C)C(C)NC(=O)c1ccccc1 527a_100000211541_100000185807 [1,1,0,0,0,0|1,0,0]=3 576 B14R1.415 CC(C)N(C)CC(=O)c1ccccc1 269982a_200000211004_100000211460 [1,1,0,0,0,0|1,0,1]=4 577 B14R1.417 C=C(C(=O)CC(C)C)c1ccccc1 1458a_100000065200_100000210624 [1,1,0,0,0,0|0,0,0]=2 578 B14R1.417 C=C(C(=O)CC(C)O)c1ccccc1 1458a_100000065200_100011218427 [1,1,0,0,0,0|1,0,0]=3 579 B14R1.417 C=C(C(=O)CC(F)F)c1ccccc1 1458a_100000065200_100011934356 [1,1,0,0,0,0|2,0,0]=4 580 B14R1.417 C=C(C(=O)NC(C)C)c1ccccc1 1626a_100138425928_100000065200 [1,1,0,0,0,0|1,0,0]=3 581 B14R1.417 C=C(C)CC(=O)C(=C)c1ccccc1 1458a_100000065200_100000748629 [1,1,0,0,0,0|0,0,2]=4 582 B14R1.417 CC(C)CC(=O)C(C)c1ccccc1 1458a_100000210554_100000230085 [1,1,0,0,0,0|0,0,2]=4 583 B14R1.417 CC(C)CC(=O)C(F)c1ccccc1 1458a_100000698975_100000210624 [1,1,0,0,0,0|1,0,1]=4 584 B14R1.417 CC(C)CC(=O)N(C)c1ccccc1 11a_100000210012_100000210554 [1,1,0,0,0,0|1,0,1]=4 585 B14R1.417 CC(C)CC(=O)N(C)c1ccccc1 1626a_100000210012_100000210554 [1,1,0,0,0,0|1,0,1]=4 586 B14R1.417 CC(C)CC(=O)N(C)c1ccccc1 22a_100000210012_100000210554 [1,1,0,0,0,0|1,0,1]=4 587 B14R1.417 CC(C)CC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_100000210624 [1,1,0,0,0,0|0,0,2]=4 588 B14R1.417 CC(C)CC(=O)[C@H](O)c1ccccc1 1458a_100000684486_100000210624 [1,1,0,0,0,0|0,0,2]=4 589 B14R1.417 CC(C)CC(C)C(=O)c1ccccc1 1458a_100000185807_100000731052 [1,1,0,0,0,0|0,0,1]=3 590 B14R1.417 CC(C)CN(C)C(=O)c1ccccc1 11a_100000747067_100000185807 [1,1,0,0,0,0|1,0,0]=3 591 B14R1.417 CC(C)CN(C)C(=O)c1ccccc1 1626a_100000747067_100000185807 [1,1,0,0,0,0|1,0,0]=3 592 B14R1.417 CC(C)CN(C)C(=O)c1ccccc1 240690a_100000747067_100000185807 [1,1,0,0,0,0|1,0,0]=3 593 B14R1.417 CC(C)CN(C)C(=O)c1ccccc1 527a_100000747067_100000185807 [1,1,0,0,0,0|1,0,0]=3 594 B14R1.417 CC(C)NC(C)C(=O)c1ccccc1 2230a_100138425928_100000239700 [1,1,0,0,0,0|1,0,1]=4 595 B14R1.417 CC(C)SC(C)C(=O)c1ccccc1 62a_100000210206_100000239700 [1,1,0,0,0,0|1,0,1]=4 596 B14R1.417 CC(C)SC(C)C(=O)c1ccccc1 62a_100000239700_100000210206 [1,1,0,0,0,0|1,0,1]=4 597 B14R1.417 CC(O)CN(C)C(=O)c1ccccc1 240690a_100000227577_100000185807 [1,1,0,0,0,0|2,0,0]=4 598 B14R1.417 CC(O)CN(C)C(=O)c1ccccc1 527a_100000227577_100000185807 [1,1,0,0,0,0|2,0,0]=4 599 B14R1.678 CC(C)CCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000210312 [1,1,0,0,0,0|0,0,1]=3 600 B14R1.678 CC(C)CCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000210312 [1,1,0,0,0,0|0,0,1]=3 601 B14R1.678 CC(C)CCC(=O)c1ccc(cc1)F 1458a_100000187176_100000210312 [1,1,0,0,0,0|0,0,1]=3 602 B14R1.678 CC(C)CCC(=O)c1ccc(cc1)I 1458a_100000187904_100000210312 [1,1,0,0,0,0|0,0,1]=3 603 B14R1.678 CC(C)CCC(=O)c1ccc(cc1)O 1458a_100000212099_100000210312 [1,1,0,0,0,0|0,0,1]=3 604 B14R1.678 CC(C)CNC(=O)c1ccc(cc1)Br 11a_100000210953_100000185839 [1,1,0,0,0,0|1,0,0]=3 605 B14R1.678 CC(C)CNC(=O)c1ccc(cc1)Br 1626a_100000210953_100000185839 [1,1,0,0,0,0|1,0,0]=3 606 B14R1.678 CC(C)CNC(=O)c1ccc(cc1)Br 240690a_100000210953_100000185839 [1,1,0,0,0,0|1,0,0]=3 607 B14R1.678 CC(C)CNC(=O)c1ccc(cc1)Br 527a_100000210953_100000185839 [1,1,0,0,0,0|1,0,0]=3 608 B14R1.678 CC(C)CNC(=O)c1ccc(cc1)Cl 11a_100000210953_100000210187 [1,1,0,0,0,0|1,0,0]=3 609 B14R1.678 CC(C)CNC(=O)c1ccc(cc1)Cl 1626a_100000210953_100000210187 [1,1,0,0,0,0|1,0,0]=3 610 B14R1.678 CC(C)CNC(=O)c1ccc(cc1)Cl 240690a_100000210953_100000210187 [1,1,0,0,0,0|1,0,0]=3 611 B14R1.678 CC(C)CNC(=O)c1ccc(cc1)Cl 527a_100000210953_100000210187 [1,1,0,0,0,0|1,0,0]=3 612 B14R1.678 CC(C)CNC(=O)c1ccc(cc1)F 11a_100000210953_100000187176 [1,1,0,0,0,0|1,0,0]=3 613 B14R1.678 CC(C)CNC(=O)c1ccc(cc1)F 1626a_100000210953_100000187176 [1,1,0,0,0,0|1,0,0]=3 614 B14R1.678 CC(C)CNC(=O)c1ccc(cc1)F 240690a_100000210953_100000187176 [1,1,0,0,0,0|1,0,0]=3 615 B14R1.678 CC(C)CNC(=O)c1ccc(cc1)F 527a_100000210953_100000187176 [1,1,0,0,0,0|1,0,0]=3 616 B14R1.678 CC(C)CNC(=O)c1ccc(cc1)I 11a_100000210953_100000187904 [1,1,0,0,0,0|1,0,0]=3 617 B14R1.678 CC(C)CNC(=O)c1ccc(cc1)I 1626a_100000210953_100000187904 [1,1,0,0,0,0|1,0,0]=3 618 B14R1.678 CC(C)CNC(=O)c1ccc(cc1)I 240690a_100000210953_100000187904 [1,1,0,0,0,0|1,0,0]=3 619 B14R1.678 CC(C)CNC(=O)c1ccc(cc1)I 527a_100000210953_100000187904 [1,1,0,0,0,0|1,0,0]=3 620 B14R1.678 CC(C)CNC(=O)c1ccc(cc1)O 240690a_100000210953_100000212099 [1,1,0,0,0,0|1,0,0]=3 621 B14R1.678 CC(C)CNC(=O)c1ccc(cc1)O 271570a_203496583355_200000155730 [1,1,0,0,0,0|1,0,0]=3 622 B14R1.678 CC(C)CNC(=O)c1ccc(cc1)O 527a_100000210953_100000212099 [1,1,0,0,0,0|1,0,0]=3 623 B14R1.678 CC(C)NCC(=O)c1ccc(cc1)Br 34a_100138425928_100000188085 [1,1,0,0,0,0|1,0,1]=4 624 B14R1.678 CC(C)NCC(=O)c1ccc(cc1)I 34a_100138425928_100011216261 [1,1,0,0,0,0|1,0,1]=4 625 B14R1.678 CC(C)NCC(=O)c1ccc(cc1)O 34a_100138425928_100009814261 [1,1,0,0,0,0|1,0,1]=4 626 B14R1.678 CC(C)NNC(=O)c1ccc(cc1)Br 22a_100000741168_100000185839 [1,1,0,0,0,0|2,0,0]=4 627 B14R1.678 CC(C)NNC(=O)c1ccc(cc1)Cl 22a_100000741168_100000210187 [1,1,0,0,0,0|2,0,0]=4 628 B14R1.678 CC(C)NNC(=O)c1ccc(cc1)F 22a_100000741168_100000187176 [1,1,0,0,0,0|2,0,0]=4 629 B14R1.678 CC(C)NNC(=O)c1ccc(cc1)I 22a_100000741168_100000187904 [1,1,0,0,0,0|2,0,0]=4 630 B14R1.678 CC(C)NNC(=O)c1ccc(cc1)O 22a_100000741168_100000212099 [1,1,0,0,0,0|2,0,0]=4 631 B14R1.678 CC(C)OCC(=O)c1ccc(cc1)Br 34a_100000212225_100000188085 [1,1,0,0,0,0|1,0,1]=4 632 B14R1.678 CC(C)OCC(=O)c1ccc(cc1)F 34a_100000246311_100000210206 [1,1,0,0,0,0|1,0,1]=4 633 B14R1.678 CC(C)OCC(=O)c1ccc(cc1)I 34a_100000212225_100011216261 [1,1,0,0,0,0|1,0,1]=4 634 B14R1.678 CC(C)OCC(=O)c1ccc(cc1)O 34a_100000212225_100009814261 [1,1,0,0,0,0|1,0,1]=4 635 B14R1.678 CC(C)SCC(=O)c1ccc(cc1)Br 62a_100000188085_100000210206 [1,1,0,0,0,0|1,0,1]=4 636 B14R1.678 CC(C)SCC(=O)c1ccc(cc1)Cl 62a_100000210206_100000211071 [1,1,0,0,0,0|1,0,1]=4 637 B14R1.678 CC(C)SCC(=O)c1ccc(cc1)Cl 62a_100000211071_100000210206 [1,1,0,0,0,0|1,0,1]=4 638 B14R1.678 CC(C)SCC(=O)c1ccc(cc1)F 62a_100000210206_100000211279 [1,1,0,0,0,0|1,0,1]=4 639 B14R1.678 CC(C)SCC(=O)c1ccc(cc1)F 62a_100000211279_100000210206 [1,1,0,0,0,0|1,0,1]=4 640 B14R1.678 CC(C)SCC(=O)c1ccc(cc1)I 62a_100000210206_100011216261 [1,1,0,0,0,0|1,0,1]=4 641 B14R1.678 CC(C)SCC(=O)c1ccc(cc1)I 62a_100011216261_100000210206 [1,1,0,0,0,0|1,0,1]=4 642 B14R1.678 CC(C)SCC(=O)c1ccc(cc1)O 62a_100000210206_100009814261 [1,1,0,0,0,0|1,0,1]=4 643 B14R1.678 CC(C)SCC(=O)c1ccc(cc1)O 62a_100009814261_100000210206 [1,1,0,0,0,0|1,0,1]=4 644 B14R1.678 CC(O)CCC(=O)c1ccc(cc1)Br 1458a_100000185839_100012276601 [1,1,0,0,0,0|1,0,1]=4 645 B14R1.678 CC(O)CCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100012276601 [1,1,0,0,0,0|1,0,1]=4 646 B14R1.678 CC(O)CCC(=O)c1ccc(cc1)F 1458a_100000187176_100012276601 [1,1,0,0,0,0|1,0,1]=4 647 B14R1.678 CC(O)CCC(=O)c1ccc(cc1)I 1458a_100000187904_100012276601 [1,1,0,0,0,0|1,0,1]=4 648 B14R1.678 CC(O)CCC(=O)c1ccc(cc1)O 1458a_100000212099_100012276601 [1,1,0,0,0,0|1,0,1]=4 649 B14R1.678 CC(O)CNC(=O)c1ccc(cc1)Br 11a_100000210904_100000185839 [1,1,0,0,0,0|2,0,0]=4 650 B14R1.678 CC(O)CNC(=O)c1ccc(cc1)Br 240690a_100000210904_100000185839 [1,1,0,0,0,0|2,0,0]=4 651 B14R1.678 CC(O)CNC(=O)c1ccc(cc1)Br 527a_100000210904_100000185839 [1,1,0,0,0,0|2,0,0]=4 652 B14R1.678 CC(O)CNC(=O)c1ccc(cc1)Cl 11a_100000210904_100000210187 [1,1,0,0,0,0|2,0,0]=4 653 B14R1.678 CC(O)CNC(=O)c1ccc(cc1)Cl 240690a_100000210904_100000210187 [1,1,0,0,0,0|2,0,0]=4 654 B14R1.678 CC(O)CNC(=O)c1ccc(cc1)Cl 527a_100000210904_100000210187 [1,1,0,0,0,0|2,0,0]=4 655 B14R1.678 CC(O)CNC(=O)c1ccc(cc1)F 11a_100000210904_100000187176 [1,1,0,0,0,0|2,0,0]=4 656 B14R1.678 CC(O)CNC(=O)c1ccc(cc1)F 240690a_100000210904_100000187176 [1,1,0,0,0,0|2,0,0]=4 657 B14R1.678 CC(O)CNC(=O)c1ccc(cc1)F 527a_100000210904_100000187176 [1,1,0,0,0,0|2,0,0]=4 658 B14R1.678 CC(O)CNC(=O)c1ccc(cc1)I 11a_100000210904_100000187904 [1,1,0,0,0,0|2,0,0]=4 659 B14R1.678 CC(O)CNC(=O)c1ccc(cc1)I 240690a_100000210904_100000187904 [1,1,0,0,0,0|2,0,0]=4 660 B14R1.678 CC(O)CNC(=O)c1ccc(cc1)I 527a_100000210904_100000187904 [1,1,0,0,0,0|2,0,0]=4 661 B14R1.678 CC(O)CNC(=O)c1ccc(cc1)O 240690a_100000210904_100000212099 [1,1,0,0,0,0|2,0,0]=4 662 B14R1.678 CC(O)CNC(=O)c1ccc(cc1)O 527a_100000210904_100000212099 [1,1,0,0,0,0|2,0,0]=4 663 B14R1.678 CN(C)/C=C/C(=O)c1ccc(cc1)O 271570a_203496583355_100016267632 [1,1,0,0,0,0|1,0,1]=4 664 B14R1.678 CN(C)CCC(=O)c1ccc(cc1)Br 269982a_100102631434_100011215963 [1,1,0,0,0,0|1,0,1]=4 665 B14R1.678 CN(C)CCC(=O)c1ccc(cc1)Cl 269982a_100102631434_100011216492 [1,1,0,0,0,0|1,0,1]=4 666 B14R1.678 CN(C)CCC(=O)c1ccc(cc1)F 2230a_100102631434_100000211231 [1,1,0,0,0,0|1,0,1]=4 667 B14R1.678 CN(C)CCC(=O)c1ccc(cc1)F 269982a_100102631434_100000211231 [1,1,0,0,0,0|1,0,1]=4 668 B14R1.678 CN(C)CCC(=O)c1ccc(cc1)O 2230a_100102631434_100009879949 [1,1,0,0,0,0|1,0,1]=4 669 B14R1.678 CN(C)CCC(=O)c1ccc(cc1)O 269982a_100102631434_100009879949 [1,1,0,0,0,0|1,0,1]=4 670 B14R1.678 CN(C)CCC(=O)c1ccc(cc1)O 271570a_203496583355_200102510076 [1,1,0,0,0,0|1,0,1]=4 671 B14R1.678 Cc1ccc(cc1)C(=O)CCC(C)C 1458a_100000188618_100000210312 [1,1,0,0,0,0|0,0,1]=3 672 B14R1.678 Cc1ccc(cc1)C(=O)CCC(C)O 1458a_100000188618_100012276601 [1,1,0,0,0,0|1,0,1]=4 673 B14R1.678 Cc1ccc(cc1)C(=O)CCN(C)C 2230a_100102631434_100000701375 [1,1,0,0,0,0|1,0,1]=4 674 B14R1.678 Cc1ccc(cc1)C(=O)CCN(C)C 269982a_100102631434_100000701375 [1,1,0,0,0,0|1,0,1]=4 675 B14R1.678 Cc1ccc(cc1)C(=O)CNC(C)C 2230a_100138425928_100000211441 [1,1,0,0,0,0|1,0,1]=4 676 B14R1.678 Cc1ccc(cc1)C(=O)CNC(C)C 34a_100138425928_100000211441 [1,1,0,0,0,0|1,0,1]=4 677 B14R1.678 Cc1ccc(cc1)C(=O)COC(C)C 34a_100000212225_100000211441 [1,1,0,0,0,0|1,0,1]=4 678 B14R1.678 Cc1ccc(cc1)C(=O)CSC(C)C 62a_100000210206_100000211441 [1,1,0,0,0,0|1,0,1]=4 679 B14R1.678 Cc1ccc(cc1)C(=O)CSC(C)C 62a_100000211441_100000210206 [1,1,0,0,0,0|1,0,1]=4 680 B14R1.678 Cc1ccc(cc1)C(=O)NCC(C)C 11a_100000210953_100000188618 [1,1,0,0,0,0|1,0,0]=3 681 B14R1.678 Cc1ccc(cc1)C(=O)NCC(C)C 1626a_100000210953_100000188618 [1,1,0,0,0,0|1,0,0]=3 682 B14R1.678 Cc1ccc(cc1)C(=O)NCC(C)C 240690a_100000210953_100000188618 [1,1,0,0,0,0|1,0,0]=3 683 B14R1.678 Cc1ccc(cc1)C(=O)NCC(C)C 527a_100000210953_100000188618 [1,1,0,0,0,0|1,0,0]=3 684 B14R1.678 Cc1ccc(cc1)C(=O)NCC(C)O 11a_100000210904_100000188618 [1,1,0,0,0,0|2,0,0]=4 685 B14R1.678 Cc1ccc(cc1)C(=O)NCC(C)O 240690a_100000210904_100000188618 [1,1,0,0,0,0|2,0,0]=4 686 B14R1.678 Cc1ccc(cc1)C(=O)NCC(C)O 527a_100000210904_100000188618 [1,1,0,0,0,0|2,0,0]=4 687 B14R1.678 Cc1ccc(cc1)C(=O)NNC(C)C 22a_100000741168_100000188618 [1,1,0,0,0,0|2,0,0]=4 688 B14R1.813 CC(C)CNS(=O)(=O)c1ccccc1 270084a_100000210953_100000210345 [1,1,0,0,0,0|2,0,0]=4 689 B14R1.813 CC(C)CNS(=O)(=O)c1ccccc1 274078a_100000210953_100000210345 [1,1,0,0,0,0|2,0,0]=4 690 B14R1.813 CC(C)CNS(=O)(=O)c1ccccc1 40a_100000210953_100000032697 [1,1,0,0,0,0|2,0,0]=4 691 B14R1.3098 CC(C)(C)CCC(=O)c1ccccc1 1458a_100000185807_100000755188 [1,1,0,0,0,0|0,0,1]=3 692 B14R1.3098 CC(C)(C)CNC(=O)c1ccccc1 11a_100000743828_100000185807 [1,1,0,0,0,0|1,0,0]=3 693 B14R1.3098 CC(C)(C)CNC(=O)c1ccccc1 1626a_100000743828_100000185807 [1,1,0,0,0,0|1,0,0]=3 694 B14R1.3098 CC(C)(C)CNC(=O)c1ccccc1 240690a_100000743828_100000185807 [1,1,0,0,0,0|1,0,0]=3 695 B14R1.3098 CC(C)(C)CNC(=O)c1ccccc1 527a_100000743828_100000185807 [1,1,0,0,0,0|1,0,0]=3 696 B14R1.3098 CC(C)(C)NNC(=O)c1ccccc1 22a_100000725372_100000185807 [1,1,0,0,0,0|2,0,0]=4 697 B14R1.3098 CC(C)(C)OCC(=O)c1ccccc1 7a_100015890283_100000211460 [1,1,0,0,0,0|1,0,1]=4 698 B14R1.3098 CC(C)(C)SCC(=O)c1ccccc1 62a_100000211460_100000211941 [1,1,0,0,0,0|1,0,1]=4 699 B14R1.3098 CC(C)(C)SCC(=O)c1ccccc1 62a_100000211941_100000211460 [1,1,0,0,0,0|1,0,1]=4 700 B14R1.3098 CC(C)(F)CNC(=O)c1ccccc1 11a_100020643315_100000185807 [1,1,0,0,0,0|1,0,0]=3 701 B14R1.3098 CC(C)(F)CNC(=O)c1ccccc1 1626a_100020643315_100000185807 [1,1,0,0,0,0|1,0,0]=3 702 B14R1.3098 CC(C)(F)CNC(=O)c1ccccc1 240690a_100020643315_100000185807 [1,1,0,0,0,0|1,0,0]=3 703 B14R1.3098 CC(C)(F)CNC(=O)c1ccccc1 527a_100020643315_100000185807 [1,1,0,0,0,0|1,0,0]=3 704 B14R1.3098 CC(C)(O)CNC(=O)c1ccccc1 1626a_100000751335_100000185807 [1,1,0,0,0,0|1,0,0]=3 705 B14R1.3098 CC(C)(O)CNC(=O)c1ccccc1 240690a_100000751335_100000185807 [1,1,0,0,0,0|1,0,0]=3 706 B14R1.3098 CC(C)(O)CNC(=O)c1ccccc1 527a_100000751335_100000185807 [1,1,0,0,0,0|1,0,0]=3 707 B14R1.3098 CC(F)(F)CNC(=O)c1ccccc1 11a_100000731000_100000185807 [1,1,0,0,0,0|2,0,0]=4 708 B14R1.3098 CC(F)(F)CNC(=O)c1ccccc1 1626a_100000731000_100000185807 [1,1,0,0,0,0|2,0,0]=4 709 B14R1.3098 CC(F)(F)CNC(=O)c1ccccc1 240690a_100000731000_100000185807 [1,1,0,0,0,0|2,0,0]=4 710 B14R1.3098 CC(F)(F)CNC(=O)c1ccccc1 527a_100000731000_100000185807 [1,1,0,0,0,0|2,0,0]=4 711 B14R1.3098 C[N+](C)(C)CCC(=O)c1ccccc1 1458a_100000185807_100000085578 [1,1,0,0,0,0|1,0,1]=4 712 B14R1.3098 C[Si](C)(C)CCC(=O)c1ccccc1 1458a_100000185807_200000733723 [1,1,0,0,0,0|0,1,1]=4 713 B14R1.3098 C[Si](C)(C)CNC(=O)c1ccccc1 11a_102516607284_100000185807 [1,1,0,0,0,0|1,1,0]=4 714 B14R1.3098 C[Si](C)(C)CNC(=O)c1ccccc1 1626a_102516607284_100000185807 [1,1,0,0,0,0|1,1,0]=4 715 B14R1.3098 C[Si](C)(C)CNC(=O)c1ccccc1 240690a_102516607284_100000185807 [1,1,0,0,0,0|1,1,0]=4 716 B14R1.3098 C[Si](C)(C)CNC(=O)c1ccccc1 527a_102516607284_100000185807 [1,1,0,0,0,0|1,1,0]=4 717 B14R1.515 C=CCN(CC(C)C)c1ccccc1 2230a_100000211662_100000210760 [0,1,0,0,1,0|2,0,0]=4 718 B14R1.515 C=CCN(CC(C)C)c1ccccc1 269982a_100000211662_100000210624 [0,1,0,0,1,0|2,0,0]=4 719 B14R1.515 C=CCN(CC(C)C)c1ccccc1 34a_100000211662_100000210624 [0,1,0,0,1,0|2,0,0]=4 720 B14R1.6455 CC(=O)C(NC(C)C)c1ccccc1 2230a_100138425928_100009888967 [0,1,0,0,1,0|1,0,1]=4 721 B14R1.6455 CC(=O)C(SC(C)C)c1ccccc1 62a_100000210206_100009888967 [0,1,0,0,1,0|1,0,1]=4 722 B14R1.6455 CC(=O)C(SC(C)C)c1ccccc1 62a_100009888967_100000210206 [0,1,0,0,1,0|1,0,1]=4 723 B14R1.6455 CC(C)NC(C(=O)N)c1ccccc1 2230a_100138425928_100000188848 [0,1,0,0,1,0|1,0,1]=4 724 B14R1.6455 CC(C)NC(C(=O)O)c1ccccc1 269956a_100000230147_100000210206 [0,1,0,0,1,0|1,0,1]=4 725 B14R1.6455 CC(C)N[C@@H](C(=O)N)c1ccccc1 2230a_100011423151_100000210206 [0,1,0,0,1,0|1,0,1]=4 726 B14R1.6455 CC(C)OC(C(=O)N)c1ccccc1 34a_100011200849_100000210206 [0,1,0,0,1,0|1,0,1]=4 727 B14R1.6455 CC(C)OC(C(=O)N)c1ccccc1 7a_100011200849_100000210206 [0,1,0,0,1,0|1,0,1]=4 728 B14R1.6455 CC(C)SC(C(=O)N)c1ccccc1 62a_100000188848_100000210206 [0,1,0,0,1,0|1,0,1]=4 729 B14R1.6455 CC(C)SC(C(=O)N)c1ccccc1 62a_100000210206_100000188848 [0,1,0,0,1,0|1,0,1]=4 730 B16R1.750 CC(C)CC(=O)C(=Cc1ccccc1)C#N 1458a_100000162679_100000210624 [0,1,0,0,0,1|1,0,1]=4 731 B16R1.12306 CC(C)CNC(Cc1ccccc1)C(=O)N 2230a_100000745710_100000210760 [0,1,0,0,0,1|1,0,1]=4 732 B16R1.12306 CC(C)CNC(Cc1ccccc1)C(=O)N 34a_100000745710_100000210624 [0,1,0,0,0,1|1,0,1]=4 733 B16R1.1106 C/C=C(/C=NNC(C)CC)\c1ccccc1 4a_100000718999_200015352894 [0,1,0,0,0,1|2,0,0]=4 734 B16R1.2932 C/C=C(/C=NNC(C)(C)C)\c1ccccc1 4a_100000725372_200015352894 [0,1,0,0,0,1|2,0,0]=4 735 B16R1.4635 CC/C=C(/C=NNC(C)C)\c1ccccc1 4a_100000741168_200015306110 [0,1,0,0,0,1|2,0,0]=4 736 B16R1.12528 CC(=O)C(OCCC(C)C)c1ccccc1 1458a_100011223345_200000210301 [0,1,0,0,0,1|0,0,2]=4 737 B16R1.12528 CC(=O)C(OCCC(C)C)c1ccccc1 7a_100000210254_100009888967 [0,1,0,0,0,1|0,0,2]=4 738 B16R1.12528 CC(=O)C(SCCC(C)C)c1ccccc1 62a_100000210312_100009888967 [0,1,0,0,0,1|0,0,2]=4 739 B16R1.12528 CC(=O)C(SCCC(C)C)c1ccccc1 62a_100009888967_100000210312 [0,1,0,0,0,1|0,0,2]=4 740 B16R1.12528 CC(=O)C(SCOC(C)C)c1ccccc1 62a_100000709892_100009888967 [0,1,0,0,0,1|1,0,1]=4 741 B16R1.12528 CC(=O)C(SCOC(C)C)c1ccccc1 62a_100009888967_100000709892 [0,1,0,0,0,1|1,0,1]=4 742 B16R1.12528 CC(C)CCNC(C(=O)O)c1ccccc1 269956a_100000230147_100000210312 [0,1,0,0,0,1|0,0,2]=4 743 B16R1.12528 CC(C)CCN[C@@H](C(=O)N)c1ccccc1 2230a_100011423151_100000210312 [0,1,0,0,0,1|0,0,2]=4 744 B16R1.12528 CC(C)CCOC(C(=O)N)c1ccccc1 34a_100011200849_100000210312 [0,1,0,0,0,1|0,0,2]=4 745 B16R1.12528 CC(C)CCOC(C(=O)N)c1ccccc1 7a_100000210254_100000188848 [0,1,0,0,0,1|0,0,2]=4 746 B16R1.12528 CC(C)CCOC(C(=O)N)c1ccccc1 7a_100011200849_100000210626 [0,1,0,0,0,1|0,0,2]=4 747 B16R1.12528 CC(C)CCOC(C(=O)[13CH3])c1ccccc1 1458a_100011223345_200025704644 [0,1,0,0,0,1|0,0,2]=4 748 B16R1.12528 CC(C)CCSC(C(=O)N)c1ccccc1 62a_100000188848_100000210312 [0,1,0,0,0,1|0,0,2]=4 749 B16R1.12528 CC(C)CCSC(C(=O)N)c1ccccc1 62a_100000210312_100000188848 [0,1,0,0,0,1|0,0,2]=4 750 B16R1.12528 CC(C)CNCC(C(=O)O)c1ccccc1 269956a_100000722792_100000210760 [0,1,0,0,0,1|0,0,2]=4 751 B16R1.12528 CC(C)OCNC(C(=O)O)c1ccccc1 269956a_100000230147_100000709892 [0,1,0,0,0,1|1,0,1]=4 752 B16R1.12528 CC(C)OCN[C@@H](C(=O)N)c1ccccc1 2230a_100011423151_100000709892 [0,1,0,0,0,1|1,0,1]=4 753 B16R1.12528 CC(C)OCOC(C(=O)N)c1ccccc1 34a_100011200849_100000709892 [0,1,0,0,0,1|1,0,1]=4 754 B16R1.12528 CC(C)OCSC(C(=O)N)c1ccccc1 62a_100000188848_100000709892 [0,1,0,0,0,1|1,0,1]=4 755 B16R1.12528 CC(C)OCSC(C(=O)N)c1ccccc1 62a_100000709892_100000188848 [0,1,0,0,0,1|1,0,1]=4 756 B16R1.26717 CC(=O)C(NC(C)C(C)C)c1ccccc1 2230a_100000211541_100009888967 [0,2,0,0,0,0|1,0,1]=4 757 B16R1.26717 CC(=O)C(OC(C)C(C)C)c1ccccc1 7a_100000748068_100009888967 [0,2,0,0,0,0|1,0,1]=4 758 B16R1.26717 CC(C)C(C)NC(C(=O)N)c1ccccc1 2230a_100000211541_100000188848 [0,2,0,0,0,0|1,0,1]=4 759 B16R1.26717 CC(C)C(C)OC(C(=O)N)c1ccccc1 7a_100000748068_100000188848 [0,2,0,0,0,0|1,0,1]=4 760 B16R1.16564 CC(C)CNC(C(=O)O)c1ccc(cc1)Br 269956a_100102946273_100000210760 [0,2,0,0,0,0|1,0,1]=4 761 B16R1.16564 CC(C)CNC(C(=O)O)c1ccc(cc1)Cl 269956a_100000761553_100000210760 [0,2,0,0,0,0|1,0,1]=4 762 B16R1.16564 CC(C)CNC(C(=O)O)c1ccc(cc1)F 269956a_100011215775_100000210760 [0,2,0,0,0,0|1,0,1]=4 763 B16R1.16564 Cc1ccc(cc1)C(NCC(C)C)C(=O)O 269956a_100138412518_100000210760 [0,2,0,0,0,0|1,0,1]=4 764 B16R1.7295 CC(C)CNC(C(=O)O)c1cccc(c1)Br 269956a_100025717458_100000210760 [0,2,0,0,0,0|1,0,1]=4 765 B16R1.7295 CC(C)CNC(C(=O)O)c1cccc(c1)Cl 269956a_100000752362_100000210760 [0,2,0,0,0,0|1,0,1]=4 766 B16R1.7295 CC(C)CNC(C(=O)O)c1cccc(c1)F 269956a_100000752392_100000210760 [0,2,0,0,0,0|1,0,1]=4 767 B16R1.7295 Cc1cccc(c1)C(NCC(C)C)C(=O)O 269956a_100015207286_100000210760 [0,2,0,0,0,0|1,0,1]=4 768 B16R1.18482 CC(=O)C(SC[C@@H](C)CO)c1ccccc1 62a_100000059175_100009888967 [0,2,0,0,0,0|1,0,1]=4 769 B16R1.18482 CC(=O)C(SC[C@@H](C)CO)c1ccccc1 62a_100009888967_100000059175 [0,2,0,0,0,0|1,0,1]=4 770 B16R1.18482 CCC(C)CNC(C(=O)C)c1ccccc1 2230a_100020588543_100009888967 [0,2,0,0,0,0|1,0,1]=4 771 B16R1.18482 CCC(C)CNC(C(=O)N)c1ccccc1 2230a_100020588543_100000188848 [0,2,0,0,0,0|1,0,1]=4 772 B16R1.18482 CCC(C)CNC(C(=O)O)c1ccccc1 269956a_100000230147_100000748023 [0,2,0,0,0,0|1,0,1]=4 773 B16R1.18482 CCC(C)CN[C@@H](C(=O)N)c1ccccc1 2230a_100011423151_100000748023 [0,2,0,0,0,0|1,0,1]=4 774 B16R1.18482 CCC(C)CN[C@@H](C(=O)N)c1ccccc1 270004a_100011423151_100000243153 [0,2,0,0,0,0|1,0,1]=4 775 B16R1.18482 CCC(C)COC(C(=O)N)c1ccccc1 34a_100011200849_100000748023 [0,2,0,0,0,0|1,0,1]=4 776 B16R1.18482 CCC(C)COC(C(=O)N)c1ccccc1 7a_100011200849_100000748023 [0,2,0,0,0,0|1,0,1]=4 777 B16R1.18482 CCC(C)CSC(C(=O)C)c1ccccc1 62a_100000748023_100009888967 [0,2,0,0,0,0|1,0,1]=4 778 B16R1.18482 CCC(C)CSC(C(=O)C)c1ccccc1 62a_100009888967_100000748023 [0,2,0,0,0,0|1,0,1]=4 779 B16R1.18482 CCC(C)CSC(C(=O)N)c1ccccc1 62a_100000188848_100000748023 [0,2,0,0,0,0|1,0,1]=4 780 B16R1.18482 CCC(C)CSC(C(=O)N)c1ccccc1 62a_100000748023_100000188848 [0,2,0,0,0,0|1,0,1]=4 781 B16R1.18482 CC[C@H](C)CNC(C(=O)O)c1ccccc1 269956a_100000230147_100009816398 [0,2,0,0,0,0|1,0,1]=4 782 B16R1.18482 CC[C@H](C)CN[C@@H](C(=O)N)c1ccccc1 2230a_100011423151_100009816398 [0,2,0,0,0,0|1,0,1]=4 783 B16R1.18482 CC[C@H](C)COC(C(=O)C)c1ccccc1 7a_100009816381_100009888967 [0,2,0,0,0,0|1,0,1]=4 784 B16R1.18482 CC[C@H](C)COC(C(=O)N)c1ccccc1 34a_100011200849_100009816398 [0,2,0,0,0,0|1,0,1]=4 785 B16R1.18482 CC[C@H](C)COC(C(=O)N)c1ccccc1 7a_100009816381_100000188848 [0,2,0,0,0,0|1,0,1]=4 786 B16R1.18482 CC[C@H](C)COC(C(=O)N)c1ccccc1 7a_100011200849_100009816398 [0,2,0,0,0,0|1,0,1]=4 787 B16R1.18482 CC[C@H](C)CSC(C(=O)C)c1ccccc1 62a_100009816398_100009888967 [0,2,0,0,0,0|1,0,1]=4 788 B16R1.18482 CC[C@H](C)CSC(C(=O)C)c1ccccc1 62a_100009888967_100009816398 [0,2,0,0,0,0|1,0,1]=4 789 B16R1.18482 CC[C@H](C)CSC(C(=O)N)c1ccccc1 62a_100000188848_100009816398 [0,2,0,0,0,0|1,0,1]=4 790 B16R1.18482 CC[C@H](C)CSC(C(=O)N)c1ccccc1 62a_100009816398_100000188848 [0,2,0,0,0,0|1,0,1]=4 791 B16R1.18482 CO[C@H](C)CNC(C(=O)C)c1ccccc1 2230a_100020591295_100009888967 [0,2,0,0,0,0|1,0,1]=4 792 B16R1.18482 CO[C@H](C)CNC(C(=O)N)c1ccccc1 2230a_100020591295_100000188848 [0,2,0,0,0,0|1,0,1]=4 793 B16R1.18482 C[C@@H](CO)CNC(C(=O)O)c1ccccc1 269956a_100000230147_100000059175 [0,2,0,0,0,0|1,0,1]=4 794 B16R1.18482 C[C@@H](CO)CN[C@@H](C(=O)N)c1ccccc1 2230a_100011423151_100000059175 [0,2,0,0,0,0|1,0,1]=4 795 B16R1.18482 C[C@@H](CO)COC(C(=O)N)c1ccccc1 34a_100011200849_100000059175 [0,2,0,0,0,0|1,0,1]=4 796 B16R1.18482 C[C@@H](CO)COC(C(=O)N)c1ccccc1 7a_100011200849_100000059175 [0,2,0,0,0,0|1,0,1]=4 797 B16R1.18482 C[C@@H](CO)CSC(C(=O)N)c1ccccc1 62a_100000059175_100000188848 [0,2,0,0,0,0|1,0,1]=4 798 B16R1.18482 C[C@@H](CO)CSC(C(=O)N)c1ccccc1 62a_100000188848_100000059175 [0,2,0,0,0,0|1,0,1]=4 799 B16R1.710 C=CCN(C(=O)CC(C)C)c1ccccc1 11a_100000211662_100000210554 [0,2,0,0,0,0|2,0,0]=4 800 B16R1.710 C=CCN(C(=O)CC(C)C)c1ccccc1 1626a_100000211662_100000210554 [0,2,0,0,0,0|2,0,0]=4 801 B16R1.710 C=CCN(C(=O)CC(C)C)c1ccccc1 22a_100000211662_100000210554 [0,2,0,0,0,0|2,0,0]=4 802 B16R1.710 CC(C)CC(C)N(CC=O)c1ccccc1 2230a_100000712670_200015260668 [0,2,0,0,0,0|1,0,1]=4 803 B16R1.710 CC(C)CC(C)N(CC=O)c1ccccc1 269982a_100000712670_200015260668 [0,2,0,0,0,0|1,0,1]=4 804 B16R1.710 CC(C)CC(C)N(CC=O)c1ccccc1 34a_100000712670_200009817547 [0,2,0,0,0,0|1,0,1]=4 805 B16R1.710 CC(C)CC(C)N(CC=O)c1ccccc1 7a_100000712670_200015260668 [0,2,0,0,0,0|1,0,1]=4 806 B16R1.4518 CC(C)NN=C(CNC=O)c1ccccc1 4a_100000741168_200012190576 [0,2,0,0,0,0|2,0,0]=4 807 B16R1.5816 CC(C)COC(C(=O)NN)c1ccccc1 34a_100011203043_100000210624 [0,2,0,0,0,0|1,0,1]=4 808 B16R1.5816 CNC(=O)C(NCC(C)C)c1ccccc1 2230a_100000741928_100000210760 [0,2,0,0,0,0|1,0,1]=4 809 B16R1.5816 CNC(=O)C(NCC(C)C)c1ccccc1 270004a_100000741928_100000210432 [0,2,0,0,0,0|1,0,1]=4 810 B16R1.5816 CNC(=O)C(NCC(C)C)c1ccccc1 34a_100000741928_100000210624 [0,2,0,0,0,0|1,0,1]=4 811 B16R1.5816 CNC(=O)C(OCC(C)C)c1ccccc1 34a_100012026080_100000210624 [0,2,0,0,0,0|1,0,1]=4 812 B16R1.5816 COC(=O)C(=NNC(C)C)c1ccccc1 4a_100000741168_100011215882 [0,2,0,0,0,0|2,0,0]=4 813 B16R1.5816 COC(=O)C(NCC(C)C)c1ccccc1 2230a_100000210953_100000754950 [0,2,0,0,0,0|1,0,1]=4 814 B16R1.5816 COC(=O)C(NCC(C)C)c1ccccc1 34a_100000210953_100000185205 [0,2,0,0,0,0|1,0,1]=4 815 B16R1.5816 COC(=O)C(OCC(C)C)c1ccccc1 34a_100000210257_100000185205 [0,2,0,0,0,0|1,0,1]=4 816 B16R1.5816 COC(=O)C(SCC(C)C)c1ccccc1 62a_100000210624_100000754950 [0,2,0,0,0,0|1,0,1]=4 817 B16R1.5816 COC(=O)C(SCC(C)C)c1ccccc1 62a_100000754950_100000210760 [0,2,0,0,0,0|1,0,1]=4 818 B16R1.5816 COC(=O)[C@H](OCC(C)C)c1ccccc1 34a_100009815907_100000210624 [0,2,0,0,0,0|1,0,1]=4 819 B16R1.18212 CC(C)CCN(CC(=O)N)c1ccccc1 2230a_100000212578_100000210312 [0,2,0,0,0,0|1,0,1]=4 820 B16R1.18212 CC(C)CCN(CC(=O)N)c1ccccc1 269982a_100000212578_100000210312 [0,2,0,0,0,0|1,0,1]=4 821 B16R1.18212 CC(C)CCN(CC(=O)O)c1ccccc1 269956a_100000212060_100000210312 [0,2,0,0,0,0|1,0,1]=4 822 B16R1.18212 CC(C)CN[C@@H](CC(=O)O)c1ccccc1 269956a_100000751379_100000210760 [0,2,0,0,0,0|1,0,1]=4 823 B16R1.58978 CC(=O)C(C(=O)CC(C)C)c1ccccc1 1458a_100000210554_100009888967 [0,2,0,0,0,0|0,0,1]=3 824 B16R1.58978 CC(=O)C(C(=O)CN(C)C)c1ccccc1 1458a_100000750896_100009888967 [0,2,0,0,0,0|1,0,1]=4 825 B16R1.58978 CC(=O)C(C(=O)C[C@@H](C)O)c1ccccc1 1458a_100011933948_100009888967 [0,2,0,0,0,0|1,0,1]=4 826 B16R1.58978 CC(=O)C(C(=O)C[S+](C)C)c1ccccc1 1458a_200159257847_100009888967 [0,2,0,0,0,0|1,0,1]=4 827 B16R1.58978 CC(=O)C(C(=O)NC(C)C)c1ccccc1 1458a_100000070787_100000739299 [0,2,0,0,0,0|1,0,1]=4 828 B16R1.58978 CC(=O)C(c1ccccc1)N(C)CC(C)C 2230a_100000747067_100009888967 [0,2,0,0,0,0|1,0,1]=4 829 B16R1.58978 CC(=O)C(c1ccccc1)N(C)CC(C)C 269982a_100000747067_100009888967 [0,2,0,0,0,0|1,0,1]=4 830 B16R1.58978 CC(=O)N(c1ccccc1)C(C)CC(C)C 11a_100000712670_100015343762 [0,2,0,0,0,0|1,0,1]=4 831 B16R1.58978 CC(=O)N(c1ccccc1)C(C)CC(C)C 1626a_100000712670_100015343762 [0,2,0,0,0,0|1,0,1]=4 832 B16R1.58978 CC(C)CC(=O)C(C(=O)N)c1ccccc1 1458a_100000210554_100000188848 [0,2,0,0,0,0|0,0,1]=3 833 B16R1.58978 CC(C)CN(C)C(C(=O)N)c1ccccc1 2230a_100000747067_100000188848 [0,2,0,0,0,0|1,0,1]=4 834 B16R1.58978 CC(C)CN(C)C(C(=O)N)c1ccccc1 269982a_100000747067_100000188848 [0,2,0,0,0,0|1,0,1]=4 835 B16R1.58978 CN(C)CC(=O)C(C(=O)N)c1ccccc1 1458a_100000750896_100000188848 [0,2,0,0,0,0|1,0,1]=4 836 B16R1.58978 C[C@@H](O)CC(=O)C(C(=O)N)c1ccccc1 1458a_100011933948_100000188848 [0,2,0,0,0,0|1,0,1]=4 837 B16R1.58978 C[S+](C)CC(=O)C(C(=O)N)c1ccccc1 1458a_200159257847_100000188848 [0,2,0,0,0,0|1,0,1]=4 838 B16R1.3942 CC(=O)C(NCC(C)(C)C)c1ccccc1 2230a_100000743828_100009888967 [0,2,0,0,0,0|1,0,1]=4 839 B16R1.3942 CC(=O)C(NCC(C)(C)F)c1ccccc1 2230a_100020643315_100009888967 [0,2,0,0,0,0|1,0,1]=4 840 B16R1.3942 CC(=O)C(NCC(C)(C)O)c1ccccc1 2230a_100000751335_100009888967 [0,2,0,0,0,0|1,0,1]=4 841 B16R1.3942 CC(=O)C(SCC(C)(C)C)c1ccccc1 62a_100009888967_100011219605 [0,2,0,0,0,0|1,0,1]=4 842 B16R1.3942 CC(=O)C(SCC(C)(C)C)c1ccccc1 62a_100011219605_100009888967 [0,2,0,0,0,0|1,0,1]=4 843 B16R1.3942 CC(=O)C(SCC(C)(C)F)c1ccccc1 62a_100009888967_100011997219 [0,2,0,0,0,0|1,0,1]=4 844 B16R1.3942 CC(=O)C(SCC(C)(C)F)c1ccccc1 62a_100011997219_100009888967 [0,2,0,0,0,0|1,0,1]=4 845 B16R1.3942 CC(=O)C(SCC(C)(C)O)c1ccccc1 62a_100000764493_100009888967 [0,2,0,0,0,0|1,0,1]=4 846 B16R1.3942 CC(=O)C(SCC(C)(C)O)c1ccccc1 62a_100009888967_100000764493 [0,2,0,0,0,0|1,0,1]=4 847 B16R1.3942 CC(C)(C)CNC(C(=O)N)c1ccccc1 2230a_100000743828_100000188848 [0,2,0,0,0,0|1,0,1]=4 848 B16R1.3942 CC(C)(C)CNC(C(=O)O)c1ccccc1 269956a_100000230147_100011219605 [0,2,0,0,0,0|1,0,1]=4 849 B16R1.3942 CC(C)(C)CN[C@@H](C(=O)N)c1ccccc1 270004a_100011423151_100011204126 [0,2,0,0,0,0|1,0,1]=4 850 B16R1.3942 CC(C)(C)COC(C(=O)N)c1ccccc1 34a_100011200849_100011219605 [0,2,0,0,0,0|1,0,1]=4 851 B16R1.3942 CC(C)(C)CSC(C(=O)N)c1ccccc1 62a_100000188848_100011219605 [0,2,0,0,0,0|1,0,1]=4 852 B16R1.3942 CC(C)(C)CSC(C(=O)N)c1ccccc1 62a_100011219605_100000188848 [0,2,0,0,0,0|1,0,1]=4 853 B16R1.3942 CC(C)(F)CNC(C(=O)N)c1ccccc1 2230a_100020643315_100000188848 [0,2,0,0,0,0|1,0,1]=4 854 B16R1.3942 CC(C)(F)CNC(C(=O)O)c1ccccc1 269956a_100000230147_100011997219 [0,2,0,0,0,0|1,0,1]=4 855 B16R1.3942 CC(C)(F)COC(C(=O)N)c1ccccc1 34a_100011200849_100011997219 [0,2,0,0,0,0|1,0,1]=4 856 B16R1.3942 CC(C)(F)CSC(C(=O)N)c1ccccc1 62a_100000188848_100011997219 [0,2,0,0,0,0|1,0,1]=4 857 B16R1.3942 CC(C)(F)CSC(C(=O)N)c1ccccc1 62a_100011997219_100000188848 [0,2,0,0,0,0|1,0,1]=4 858 B16R1.3942 CC(C)(O)CNC(C(=O)N)c1ccccc1 2230a_100000751335_100000188848 [0,2,0,0,0,0|1,0,1]=4 859 B16R1.3942 CC(C)(O)CNC(C(=O)O)c1ccccc1 269956a_100000230147_100000764493 [0,2,0,0,0,0|1,0,1]=4 860 B16R1.3942 CC(C)(O)COC(C(=O)N)c1ccccc1 34a_100011200849_100000764493 [0,2,0,0,0,0|1,0,1]=4 861 B16R1.3942 CC(C)(O)COC(C(=O)N)c1ccccc1 7a_100011200849_100000764493 [0,2,0,0,0,0|1,0,1]=4 862 B16R1.3942 CC(C)(O)CSC(C(=O)N)c1ccccc1 62a_100000188848_100000764493 [0,2,0,0,0,0|1,0,1]=4 863 B16R1.3942 CC(C)(O)CSC(C(=O)N)c1ccccc1 62a_100000764493_100000188848 [0,2,0,0,0,0|1,0,1]=4 864 B16R1.7421 CC(C)CNC(C(=O)O)c1ccccc1Br 269956a_100000744630_100000210760 [0,2,0,0,0,0|1,0,1]=4 865 B16R1.7421 CC(C)CNC(C(=O)O)c1ccccc1F 269956a_100138411467_100000210760 [0,2,0,0,0,0|1,0,1]=4 866 B16R1.7421 CC(C)CN[C@H](C(=O)O)c1ccccc1Cl 269956a_100009815989_100000210760 [0,2,0,0,0,0|1,0,1]=4 867 B16R1.7421 Cc1ccccc1C(NCC(C)C)C(=O)O 269956a_100011223803_100000210760 [0,2,0,0,0,0|1,0,1]=4 868 B14R1.81 C=Cc1cccc(c1F)SCC(C)C 62a_100000210624_100010741937 [0,0,1,1,0,0|2,0,0]=4 869 B14R1.81 C=Cc1cccc(c1F)SCC(C)C 62a_100010741937_100000210760 [0,0,1,1,0,0|2,0,0]=4 870 B14R1.2180 CC(C)Sc1c(cccc1C=O)C=O 62a_100000210206_100010196191 [0,0,1,1,0,0|2,0,0]=4 871 B14R1.2180 CC(C)Sc1c(cccc1C=O)C=O 62a_100010196191_100000210206 [0,0,1,1,0,0|2,0,0]=4 872 B14R2.3 CCCCc1coc2c1cccc2 271570a_100020621405_100009812202 [1,0,0,1,0,0|0,0,2]=4 873 B14R2.3 CCCCc1csc2c1cccc2 271570a_100020621405_100009813928 [1,0,0,1,0,0|0,1,1]=4 874 B14R2.3 CCCOc1csc2c1cccc2 34a_100000077758_100000210303 [1,0,0,1,0,0|1,1,0]=4 875 B14R2.3 CCCOc1csc2c1cccc2 7a_100000077758_100000210303 [1,0,0,1,0,0|1,1,0]=4 876 B14R2.3 CCCSc1coc2c1cccc2 62a_100000210303_100009812202 [1,0,0,1,0,0|1,0,1]=4 877 B14R2.3 CCCSc1csc2c1cccc2 62a_100000210303_100009813928 [1,0,0,1,0,0|1,1,0]=4 878 B14R2.8 CCc1cc(cs1)c2ccccc2 271570a_100011218836_100009846239 [1,0,0,1,0,0|0,1,1]=4 879 B14R2.8 CCn1cc(cn1)c2ccccc2 271570a_100011218836_100011400201 [1,0,0,1,0,0|2,0,0]=4 880 B14R2.8 CCn1cc(cn1)c2ccccc2 271570a_100011935084_100000210277 [1,0,0,1,0,0|2,0,0]=4 881 B14R2.68 CC1CC=C(CC1)c2ccccc2 271570a_100010240233_100000210277 [1,0,0,1,0,0|1,0,1]=4 882 B14R2.1253 C1=C(CCCCC1)c2ccccc2 271570a_200009888920_100000210277 [1,0,0,1,0,0|1,0,1]=4 883 B14R2.352 O=C(N[C@@H]1C[C@@H]1F)c2ccccc2 240690a_100015190264_100000185807 [1,0,0,1,0,0|2,0,0]=4 884 B14R2.352 O=C(N[C@@H]1C[C@@H]1F)c2ccccc2 527a_100015190264_100000185807 [1,0,0,1,0,0|2,0,0]=4 885 B14R2.352 O=C(N[C@@H]1C[C@H]1F)c2ccccc2 11a_100025746932_100000185807 [1,0,0,1,0,0|2,0,0]=4 886 B14R2.352 O=C(N[C@@H]1C[C@H]1F)c2ccccc2 1626a_100025746932_100000185807 [1,0,0,1,0,0|2,0,0]=4 887 B14R2.352 O=C(N[C@@H]1C[C@H]1F)c2ccccc2 240690a_100025746932_100000185807 [1,0,0,1,0,0|2,0,0]=4 888 B14R2.352 O=C(N[C@@H]1C[C@H]1F)c2ccccc2 527a_100025746932_100000185807 [1,0,0,1,0,0|2,0,0]=4 889 B14R2.422 CC1CN(C1)C(=O)c2ccccc2 11a_100000702820_100000185807 [1,0,0,1,0,0|1,0,0]=3 890 B14R2.422 CC1CN(C1)C(=O)c2ccccc2 240690a_100000702820_100000185807 [1,0,0,1,0,0|1,0,0]=3 891 B14R2.422 CC1CN(C1)C(=O)c2ccccc2 527a_100000702820_100000185807 [1,0,0,1,0,0|1,0,0]=3 892 B14R2.422 O=C(c1ccccc1)N2CC(C2)F 11a_100000690557_100000185807 [1,0,0,1,0,0|2,0,0]=4 893 B14R2.422 O=C(c1ccccc1)N2CC(C2)F 240690a_100000690557_100000185807 [1,0,0,1,0,0|2,0,0]=4 894 B14R2.422 O=C(c1ccccc1)N2CC(C2)F 527a_100000690557_100000185807 [1,0,0,1,0,0|2,0,0]=4 895 B14R2.422 O=C(c1ccccc1)N2CC(C2)O 11a_100000749847_100000185807 [1,0,0,1,0,0|2,0,0]=4 896 B14R2.422 O=C(c1ccccc1)N2CC(C2)O 240690a_100000749847_100000185807 [1,0,0,1,0,0|2,0,0]=4 897 B14R2.422 O=C(c1ccccc1)N2CC(C2)O 527a_100000749847_100000185807 [1,0,0,1,0,0|2,0,0]=4 898 B14R2.792 O=C(CCC1CC1)c2ccccc2 1458a_100000185807_100000694398 [1,0,0,1,0,0|0,0,1]=3 899 B14R2.792 O=C(CCC1CO1)c2ccccc2 1458a_100000185807_100000732470 [1,0,0,1,0,0|1,0,1]=4 900 B14R2.792 O=C(CSC1CC1)c2ccccc2 62a_100000211460_100000211595 [1,0,0,1,0,0|1,0,1]=4 901 B14R2.792 O=C(NCC1CC1)c2ccccc2 11a_100000735609_100000185807 [1,0,0,1,0,0|1,0,0]=3 902 B14R2.792 O=C(NCC1CC1)c2ccccc2 1626a_100000735609_100000185807 [1,0,0,1,0,0|1,0,0]=3 903 B14R2.792 O=C(NCC1CC1)c2ccccc2 240690a_100000735609_100000185807 [1,0,0,1,0,0|1,0,0]=3 904 B14R2.792 O=C(NCC1CC1)c2ccccc2 527a_100000735609_100000185807 [1,0,0,1,0,0|1,0,0]=3 905 B14R2.792 O=C(NNC1CC1)c2ccccc2 22a_100000701032_100000185807 [1,0,0,1,0,0|2,0,0]=4 906 B14R2.25733 CN(C)C1CC(=O)c2c1cccc2 2230a_100102631434_100010208147 [1,0,0,1,0,0|1,0,1]=4 907 B14R2.25733 CN(C)C1CC(=O)c2c1cccc2 269982a_100102631434_100010208147 [1,0,0,1,0,0|1,0,1]=4 908 B14R2.25733 CN(C)C1OC(=O)c2c1cccc2 2230a_100102631434_100009813457 [1,0,0,1,0,0|2,0,0]=4 909 B14R2.25733 CN(C)C1OC(=O)c2c1cccc2 269982a_100102631434_100009813457 [1,0,0,1,0,0|2,0,0]=4 910 B14R2.2 CC(=Cc1coc2c1cccc2)C 271570a_100102525489_100009812202 [0,0,0,1,1,0|0,0,2]=4 911 B14R2.2 CC(=Cc1csc2c1cccc2)C 271570a_100102525489_100009813928 [0,0,0,1,1,0|0,1,1]=4 912 B14R2.2 CC(C)Oc1csc2c1cccc2 34a_100000077758_100000210206 [0,0,0,1,1,0|1,1,0]=4 913 B14R2.2 CC(C)Oc1csc2c1cccc2 7a_100000077758_100000210206 [0,0,0,1,1,0|1,1,0]=4 914 B14R2.2 CC(C)Sc1coc2c1cccc2 62a_100000210206_100009812202 [0,0,0,1,1,0|1,0,1]=4 915 B14R2.2 CC(C)Sc1csc2c1cccc2 62a_100000210206_100009813928 [0,0,0,1,1,0|1,1,0]=4 916 B14R2.2 CN(C)Cc1coc2c1cccc2 270004a_100102631434_100000688544 [0,0,0,1,1,0|1,0,1]=4 917 B14R2.2 CN(C)Cc1csc2c1cccc2 2230a_100102631434_200000742921 [0,0,0,1,1,0|1,1,0]=4 918 B14R2.2 CN(C)Cc1csc2c1cccc2 269982a_100102631434_200000742921 [0,0,0,1,1,0|1,1,0]=4 919 B14R2.2 CN(C)Cc1csc2c1cccc2 270004a_100102631434_100000239721 [0,0,0,1,1,0|1,1,0]=4 920 B16R2.84 CC(C)n1cc(cn1)Sc2ccccc2 62a_100000719477_100012073297 [0,0,0,1,0,1|2,0,0]=4 921 B16R2.84 CC(C)n1cc(cn1)Sc2ccccc2 62a_100012073297_100000041952 [0,0,0,1,0,1|2,0,0]=4 922 B16R2.477 CC(C)C=Cc1ccc2ccccc2c1 271570a_100016257149_100000233703 [0,0,0,1,0,1|1,0,1]=4 923 B16R2.477 CC(C)C=Cc1ccc2ccccc2n1 271570a_100016257149_100011291633 [0,0,0,1,0,1|1,0,1]=4 924 B16R2.477 CC(C)C=Cc1cnc2ccccc2c1 271570a_100016257149_100000737414 [0,0,0,1,0,1|1,0,1]=4 925 B16R2.477 CC(C)C=Cc1cnc2ccccc2n1 271570a_100016257149_100000756483 [0,0,0,1,0,1|1,0,1]=4 926 B16R2.477 CC(C)CNc1ccc2ccccc2c1 34a_100000211940_100000210624 [0,0,0,1,0,1|2,0,0]=4 927 B16R2.477 CC(C)CNc1ccc2ccccc2c1 7a_100000211940_100000210760 [0,0,0,1,0,1|2,0,0]=4 928 B16R2.477 CC(C)CNc1ccc2ccccc2n1 27a_100000210953_100011291633 [0,0,0,1,0,1|2,0,0]=4 929 B16R2.477 CC(C)CNc1cnc2ccccc2n1 27a_100000210953_100000756483 [0,0,0,1,0,1|2,0,0]=4 930 B16R2.477 CC(C)COc1ccc2ccccc2c1 34a_100000185828_100000210624 [0,0,0,1,0,1|2,0,0]=4 931 B16R2.477 CC(C)COc1ccc2ccccc2c1 7a_100000185828_100000210760 [0,0,0,1,0,1|2,0,0]=4 932 B16R2.477 CC(C)COc1cnc2ccccc2c1 34a_100011934006_100000210624 [0,0,0,1,0,1|2,0,0]=4 933 B16R2.477 CC(C)COc1cnc2ccccc2c1 7a_100011934006_100000210760 [0,0,0,1,0,1|2,0,0]=4 934 B16R2.477 CC(C)CSc1ccc2ccccc2c1 62a_100000210624_100000233703 [0,0,0,1,0,1|2,0,0]=4 935 B16R2.477 CC(C)CSc1ccc2ccccc2n1 62a_100000210624_100011291633 [0,0,0,1,0,1|2,0,0]=4 936 B16R2.477 CC(C)CSc1ccc2ccccc2n1 62a_100011291633_100000210760 [0,0,0,1,0,1|2,0,0]=4 937 B16R2.477 CC(C)CSc1cnc2ccccc2c1 62a_100000210624_100000737414 [0,0,0,1,0,1|2,0,0]=4 938 B16R2.477 CC(C)CSc1cnc2ccccc2n1 62a_100000210624_100000756483 [0,0,0,1,0,1|2,0,0]=4 939 B16R2.477 CC(C)CSc1cnc2ccccc2n1 62a_100000756483_100000210760 [0,0,0,1,0,1|2,0,0]=4 940 B16R2.1625 CC(=Cc1c(sc2c1cccc2)C=O)C 271570a_100102525489_100009816528 [0,0,0,1,0,1|0,0,2]=4 941 B16R2.3356 CC(C)CSC1Cc2ccccc2C1=O 62a_100000210624_100011218503 [0,0,0,1,0,1|1,0,1]=4 942 B16R2.3356 CC(C)CSC1Cc2ccccc2C1=O 62a_100011218503_100000210760 [0,0,0,1,0,1|1,0,1]=4 943 B16R2.3356 Cc1c(sc2c1cccc2)C=CC(C)C 271570a_100016257149_200010198769 [0,0,0,1,0,1|1,0,1]=4 944 B16R2.3356 Cc1c(sc2c1cccc2)SCC(C)C 62a_100000210624_200010198769 [0,0,0,1,0,1|2,0,0]=4 945 B16R2.36 CC(C)CC=Cc1c[nH]c2c1cccn2 271570a_100016259101_100011934613 [0,0,0,1,0,1|2,0,0]=4 946 B16R2.36 CC(C)CC=Cc1c[nH]c2c1ccnc2 271570a_100016259101_100010232032 [0,0,0,1,0,1|2,0,0]=4 947 B16R2.36 CC(C)CC=Cc1c[nH]c2c1cncc2 271570a_100016259101_100011934843 [0,0,0,1,0,1|2,0,0]=4 948 B16R2.36 CC(C)CC=Cc1c[nH]c2c1nccc2 271570a_100016259101_100009817151 [0,0,0,1,0,1|2,0,0]=4 949 B16R2.36 CC(C)CC=Cc1cnc2n1cccc2 271570a_100016259101_100011219245 [0,0,0,1,0,1|2,0,0]=4 950 B16R2.36 CC(C)CC=Cc1cnn2c1cccc2 271570a_100016259101_100009817726 [0,0,0,1,0,1|2,0,0]=4 951 B16R2.36 CC(C)CC=Cc1coc2c1cccc2 271570a_100016259101_100009812202 [0,0,0,1,0,1|0,0,1]=3 952 B16R2.36 CC(C)CC=Cc1coc2c1nccc2 271570a_100016259101_100009889148 [0,0,0,1,0,1|1,0,1]=4 953 B16R2.36 CC(C)CC=Cc1csc2c1cccc2 271570a_100016259101_100009813928 [0,0,0,1,0,1|0,1,0]=3 954 B16R2.36 CC(C)CC=Cc1csc2c1cccn2 271570a_100016259101_100009830249 [0,0,0,1,0,1|1,1,0]=4 955 B16R2.36 CC(C)CC=Cc1csc2c1ccnc2 271570a_100016259101_100009817111 [0,0,0,1,0,1|1,1,0]=4 956 B16R2.36 CC(C)CC=Cc1csc2c1cncc2 271570a_100016259101_100010247091 [0,0,0,1,0,1|1,1,0]=4 957 B16R2.36 CC(C)CC=Cc1csc2c1nccc2 271570a_100016259101_100010247092 [0,0,0,1,0,1|1,1,0]=4 958 B16R2.36 CC(C)CC=Cc1n[nH]c2c1cccc2 271570a_100016259101_100000050141 [0,0,0,1,0,1|2,0,0]=4 959 B16R2.36 CC(C)CCOc1csc2c1cccc2 34a_100000077758_100000210312 [0,0,0,1,0,1|0,1,1]=4 960 B16R2.36 CC(C)CCOc1csc2c1cccc2 7a_100000077758_100000210626 [0,0,0,1,0,1|0,1,1]=4 961 B16R2.36 CC(C)CCSc1coc2c1cccc2 62a_100000210312_100009812202 [0,0,0,1,0,1|0,0,2]=4 962 B16R2.36 CC(C)CNCc1c[nH]c2c1cccc2 270004a_100015202335_100000210432 [0,0,0,1,0,1|1,0,1]=4 963 B16R2.36 CC(C)CNCc1coc2c1cccc2 207a_100000210953_100000688544 [0,0,0,1,0,1|0,0,2]=4 964 B16R2.36 CC(C)CNCc1coc2c1cccc2 270004a_100000210953_100000688544 [0,0,0,1,0,1|0,0,2]=4 965 B16R2.36 CC(C)CNCc1csc2c1cccc2 207a_100000210953_100000239721 [0,0,0,1,0,1|0,1,1]=4 966 B16R2.36 CC(C)CNCc1csc2c1cccc2 2230a_100000210953_200000742921 [0,0,0,1,0,1|0,1,1]=4 967 B16R2.36 CC(C)CNCc1csc2c1cccc2 270004a_100000210953_100000239721 [0,0,0,1,0,1|0,1,1]=4 968 B16R2.36 CC(C)CNCc1csc2c1cccc2 270004a_100000744611_100000210432 [0,0,0,1,0,1|0,1,1]=4 969 B16R2.36 CC(C)CNCc1csc2c1cccc2 34a_100000210953_200000742921 [0,0,0,1,0,1|0,1,1]=4 970 B16R2.36 CC(C)CNCc1csc2c1cccc2 34a_100000744611_100000210624 [0,0,0,1,0,1|0,1,1]=4 971 B16R2.36 CC(C)COCc1csc2c1cccc2 34a_100000210257_200000742921 [0,0,0,1,0,1|0,1,1]=4 972 B16R2.36 CC(C)COCc1csc2c1cccc2 34a_100011219454_100000210624 [0,0,0,1,0,1|0,1,1]=4 973 B16R2.36 CC(C)CSCc1csc2c1cccc2 62a_100000210624_200000742921 [0,0,0,1,0,1|0,1,1]=4 974 B16R2.36 CC(C)CSCc1csc2c1cccc2 62a_200000742921_100000210760 [0,0,0,1,0,1|0,1,1]=4 975 B16R2.36 CC(C)NCCc1c[nH]c2c1cccc2 2230a_100000211132_100000210206 [0,0,0,1,0,1|1,0,1]=4 976 B16R2.36 CC(C)NCCc1c[nH]c2c1cccc2 2230a_100138425928_100011218569 [0,0,0,1,0,1|1,0,1]=4 977 B16R2.36 CC(C)NCCc1c[nH]c2c1cccc2 34a_100138425928_100011218569 [0,0,0,1,0,1|1,0,1]=4 978 B16R2.36 CC(C)NCCc1coc2c1cccc2 2230a_100011934666_100000210206 [0,0,0,1,0,1|0,0,2]=4 979 B16R2.36 CC(C)NCCc1coc2c1cccc2 34a_100011934666_100000210206 [0,0,0,1,0,1|0,0,2]=4 980 B16R2.36 CC(C)NN=Cc1c[nH]c2c1cccc2 4a_100000741168_100000182151 [0,0,0,1,0,1|2,0,0]=4 981 B16R2.36 CC(C)NN=Cc1coc2c1cccc2 4a_100000741168_100000688544 [0,0,0,1,0,1|1,0,1]=4 982 B16R2.36 CC(C)NN=Cc1csc2c1cccc2 4a_100000741168_100000239721 [0,0,0,1,0,1|1,1,0]=4 983 B16R2.36 CC(C)OCCc1c[nH]c2c1cccc2 34a_100000212225_100011218569 [0,0,0,1,0,1|1,0,1]=4 984 B16R2.36 CC(C)OCCc1c[nH]c2c1cccc2 34a_100000752351_100000210206 [0,0,0,1,0,1|1,0,1]=4 985 B16R2.36 CC(C)OCOc1csc2c1cccc2 34a_100000077758_100000709892 [0,0,0,1,0,1|1,1,0]=4 986 B16R2.36 CC(C)OCSc1coc2c1cccc2 62a_100000709892_100009812202 [0,0,0,1,0,1|1,0,1]=4 987 B16R2.36 CC(C)OCSc1csc2c1cccc2 62a_100000709892_100009813928 [0,0,0,1,0,1|1,1,0]=4 988 B16R2.36 CC(C)SCCc1c[nH]c2c1cccc2 62a_100000210206_100011218569 [0,0,0,1,0,1|1,0,1]=4 989 B16R2.85 CC(C)N1CC=C(CC1)c2ccccc2 2230a_100000007107_100000210206 [0,0,0,1,0,1|1,0,1]=4 990 B16R2.85 CC(C)N1CC=C(CC1)c2ccccc2 269982a_100000007107_100000210206 [0,0,0,1,0,1|1,0,1]=4 991 B16R2.85 CC(C)c1ccc(cc1)c2ccccc2 271570a_100000750173_100000210277 [0,0,0,1,0,1|1,0,1]=4 992 B16R2.85 CC(C)c1ccc(cc1)c2ccccc2 271570a_100011218836_100000750031 [0,0,0,1,0,1|1,0,1]=4 993 B16R2.85 CC(C)c1ccc(cn1)c2ccccc2 271570a_100011218836_100010255768 [0,0,0,1,0,1|1,0,1]=4 994 B16R2.85 CC(C)c1ccc(nc1)c2ccccc2 271570a_100011218836_200009815286 [0,0,0,1,0,1|1,0,1]=4 995 B16R2.85 CC(C)c1ncc(cn1)c2ccccc2 271570a_100011218836_200009814916 [0,0,0,1,0,1|1,0,1]=4 996 B16R2.157 CC(C)Cc1nc(no1)c2ccccc2 270196a_100000210280_100000210554 [0,0,0,1,0,1|1,0,1]=4 997 B16R2.157 CC(C)Cc1noc(n1)c2ccccc2 270196a_100000210173_100000185807 [0,0,0,1,0,1|2,0,0]=4 998 B16R2.157 CC(C)Cn1cc(cn1)c2ccccc2 271570a_100000097186_100000210277 [0,0,0,1,0,1|1,0,0]=3 999 B16R2.157 CC(C)Cn1cc(cn1)c2ccccc2 271570a_100011218836_100012073154 [0,0,0,1,0,1|1,0,0]=3 1000 B16R2.157 CC(C)Cn1cc(cn1)c2ccccn2 271570a_100000097186_100011216584 [0,0,0,1,0,1|2,0,0]=4 1001 B16R2.157 CC(C)Cn1cc(cn1)c2ccccn2 271570a_100011264011_100012073154 [0,0,0,1,0,1|2,0,0]=4 1002 B16R2.157 CC(C)Cn1cc(cn1)c2cccnc2 271570a_100000097186_100000752921 [0,0,0,1,0,1|2,0,0]=4 1003 B16R2.157 CC(C)Cn1cc(cn1)c2cccnc2 271570a_100000757648_100012073154 [0,0,0,1,0,1|2,0,0]=4 1004 B16R2.157 CC(C)Cn1cc(cn1)c2ccncc2 271570a_100000097186_100000035832 [0,0,0,1,0,1|2,0,0]=4 1005 B16R2.157 CC(C)Cn1cc(cn1)c2ccncc2 271570a_100000752145_100012073154 [0,0,0,1,0,1|2,0,0]=4 1006 B16R2.157 CC(C)Cn1cc(nn1)c2ccccc2 274090a_100000210760_100000210518 [0,0,0,1,0,1|2,0,0]=4 1007 B16R2.157 CC(C)Cn1ccc(n1)c2ccccc2 271570a_200010074688_100000210277 [0,0,0,1,0,1|2,0,0]=4 1008 B16R2.157 CC(C)Nc1nc(cs1)c2ccccc2 27a_100138425928_100011830410 [0,0,0,1,0,1|1,1,0]=4 1009 B16R2.157 CC(C)Nc1ncc(o1)c2ccccc2 27a_100138425928_100000729704 [0,0,0,1,0,1|2,0,0]=4 1010 B16R2.157 CC(C)Nc1ncc(s1)c2ccccc2 27a_100138425928_100000685549 [0,0,0,1,0,1|2,0,0]=4 1011 B16R2.157 CC(C)Oc1ncc(s1)c2ccccc2 271570a_100011218836_100010238083 [0,0,0,1,0,1|2,0,0]=4 1012 B16R2.157 CC(C)Sc1ccc(s1)c2ccccc2 62a_100000210206_100009814279 [0,0,0,1,0,1|2,0,0]=4 1013 B16R2.157 CC(C)Sc1ccc(s1)c2ccccc2 62a_100009814279_100000210206 [0,0,0,1,0,1|2,0,0]=4 1014 B16R2.157 CC(C)Sc1nc(cs1)c2ccccc2 62a_100000210206_100011830410 [0,0,0,1,0,1|1,1,0]=4 1015 B16R2.157 CC(C)Sc1nc(cs1)c2ccccc2 62a_100011830410_100000210206 [0,0,0,1,0,1|1,1,0]=4 1016 B16R2.157 CC(C)Sc1ncc(o1)c2ccccc2 62a_100000210206_100000729704 [0,0,0,1,0,1|2,0,0]=4 1017 B16R2.157 CC(C)Sc1ncc(s1)c2ccccc2 62a_100000210206_100000685549 [0,0,0,1,0,1|2,0,0]=4 1018 B16R2.157 CC(C)Sc1ncc(s1)c2ccccc2 62a_100000685549_100000210206 [0,0,0,1,0,1|2,0,0]=4 1019 B16R2.157 CN(C)Cc1ccc(o1)c2ccccc2 270004a_100102631434_100000189002 [0,0,0,1,0,1|2,0,0]=4 1020 B16R2.157 CN(C)Cc1ccc(s1)c2ccccc2 270004a_100102631434_100000185246 [0,0,0,1,0,1|2,0,0]=4 1021 B16R2.157 CN(C)Cc1nc(c[nH]1)c2ccccc2 270004a_100102631434_100000754090 [0,0,0,1,0,1|2,0,0]=4 1022 B16R2.157 CN(C)Cc1nc(cs1)c2ccccc2 2230a_100102631434_100009815857 [0,0,0,1,0,1|1,1,0]=4 1023 B16R2.157 CN(C)Cc1nc(cs1)c2ccccc2 269982a_100102631434_100009815857 [0,0,0,1,0,1|1,1,0]=4 1024 B16R2.157 C[C@H](O)Cn1cc(cn1)c2ccccc2 271570a_100011218836_200014136912 [0,0,0,1,0,1|2,0,0]=4 1025 B16R2.29073 C/C=C(/C=NNC1CC1)\c2ccccc2 4a_100000701032_200015352894 [0,0,0,1,0,1|2,0,0]=4 1026 B16R2.29073 C=CC(=NNCC1CC1)c2ccccc2 4a_100000736359_200000750708 [0,0,0,1,0,1|2,0,0]=4 1027 B16R2.86 CC(C)c1cc(ccn1)c2ccccc2 271570a_100011218836_100010237922 [0,1,0,1,0,0|1,0,1]=4 1028 B16R2.86 CC(C)c1cccc(c1)c2ccccc2 271570a_100000750175_100000210277 [0,1,0,1,0,0|1,0,1]=4 1029 B16R2.86 CC(C)c1cccc(c1)c2ccccc2 271570a_100011218836_100011214899 [0,1,0,1,0,0|1,0,1]=4 1030 B16R2.86 CC(C)c1ccnc(c1)c2ccccc2 271570a_100011218836_100010237925 [0,1,0,1,0,0|1,0,1]=4 1031 B16R2.86 CC(C)c1cncc(c1)c2ccccc2 271570a_100011218836_200010191214 [0,1,0,1,0,0|1,0,1]=4 1032 B16R2.2880 Cc1nn(cc1c2ccccc2)C(C)C 271570a_100011218836_100012354293 [0,1,0,1,0,0|2,0,0]=4 1033 B16R2.2858 CC1(CC=C(CC1)c2ccc(cc2)Cl)C 271570a_100000069032_100000755918 [0,1,0,1,0,0|1,0,1]=4 1034 B16R2.2858 CC1(CC=C(CC1)c2ccc(cc2)F)C 271570a_100000069032_100000211213 [0,1,0,1,0,0|1,0,1]=4 1035 B16R2.2858 CC1(CC=C(CC1)c2ccc(cc2)N)C 271570a_100000069032_100000185761 [0,1,0,1,0,0|1,0,1]=4 1036 B16R2.2858 CC1(CC=C(CC1)c2ccc(cc2)O)C 271570a_100000069032_100000185759 [0,1,0,1,0,0|1,0,1]=4 1037 B16R2.2858 Cc1ccc(cc1)C2=CCC(CC2)(C)C 271570a_100000069032_100000186775 [0,1,0,1,0,0|1,0,1]=4 1038 B16R2.2865 CC(C)n1cc(cn1)c2ccc(cc2)Br 271570a_100000070172_100000752885 [0,1,0,1,0,0|2,0,0]=4 1039 B16R2.2865 CC(C)n1cc(cn1)c2ccc(cc2)Br 271570a_100010235827_100012073297 [0,1,0,1,0,0|2,0,0]=4 1040 B16R2.2865 CC(C)n1cc(cn1)c2ccc(cc2)Cl 271570a_100000070172_100000755918 [0,1,0,1,0,0|2,0,0]=4 1041 B16R2.2865 CC(C)n1cc(cn1)c2ccc(cc2)Cl 271570a_100011213355_100012073297 [0,1,0,1,0,0|2,0,0]=4 1042 B16R2.2865 CC(C)n1cc(cn1)c2ccc(cc2)F 271570a_100000070172_100000211213 [0,1,0,1,0,0|2,0,0]=4 1043 B16R2.2865 CC(C)n1cc(cn1)c2ccc(cc2)F 271570a_100011934326_100012073297 [0,1,0,1,0,0|2,0,0]=4 1044 B16R2.2865 CC(C)n1cc(cn1)c2ccc(cc2)I 271570a_100000033156_100012073297 [0,1,0,1,0,0|2,0,0]=4 1045 B16R2.2865 CC(C)n1cc(cn1)c2ccc(cc2)N 271570a_100000070172_100000185761 [0,1,0,1,0,0|2,0,0]=4 1046 B16R2.2865 CC(C)n1cc(cn1)c2ccc(cc2)N 271570a_100015188457_100012073297 [0,1,0,1,0,0|2,0,0]=4 1047 B16R2.2865 CC(C)n1cc(cn1)c2ccc(cc2)O 271570a_100000070172_100000185759 [0,1,0,1,0,0|2,0,0]=4 1048 B16R2.2865 CC(C)n1cc(cn1)c2ccc(cc2)O 271570a_100015205159_100012073297 [0,1,0,1,0,0|2,0,0]=4 1049 B16R2.2865 Cc1ccc(cc1)c2cnn(c2)C(C)C 271570a_100000070172_100000186775 [0,1,0,1,0,0|2,0,0]=4 1050 B16R2.2865 Cc1ccc(cc1)c2cnn(c2)C(C)C 271570a_100000708704_100012073297 [0,1,0,1,0,0|2,0,0]=4 1051 B16R2.2909 CC1(CC=C(CC1)c2cccc(c2)Cl)C 271570a_100000069032_100000699651 [0,1,0,1,0,0|1,0,1]=4 1052 B16R2.2909 CC1(CC=C(CC1)c2cccc(c2)F)C 271570a_100000069032_100000685547 [0,1,0,1,0,0|1,0,1]=4 1053 B16R2.2909 CC1(CC=C(CC1)c2cccc(c2)N)C 271570a_100000069032_100000210019 [0,1,0,1,0,0|1,0,1]=4 1054 B16R2.2909 CC1(CC=C(CC1)c2cccc(c2)O)C 271570a_100000069032_100000211634 [0,1,0,1,0,0|1,0,1]=4 1055 B16R2.2909 CC1(CC=C(CC1)c2cccc(c2)[S])C 271570a_100000069032_114929384022 [0,1,0,1,0,0|1,0,1]=4 1056 B16R2.2909 Cc1cccc(c1)C2=CCC(CC2)(C)C 271570a_100000069032_100011215228 [0,1,0,1,0,0|1,0,1]=4 1057 B16R2.2918 CC(C)n1cc(cn1)c2cccc(c2)Br 271570a_100000070172_100000691529 [0,1,0,1,0,0|2,0,0]=4 1058 B16R2.2918 CC(C)n1cc(cn1)c2cccc(c2)Cl 271570a_100000070172_100000699651 [0,1,0,1,0,0|2,0,0]=4 1059 B16R2.2918 CC(C)n1cc(cn1)c2cccc(c2)Cl 271570a_100011214927_100012073297 [0,1,0,1,0,0|2,0,0]=4 1060 B16R2.2918 CC(C)n1cc(cn1)c2cccc(c2)F 271570a_100000070172_100000685547 [0,1,0,1,0,0|2,0,0]=4 1061 B16R2.2918 CC(C)n1cc(cn1)c2cccc(c2)F 271570a_100012349223_100012073297 [0,1,0,1,0,0|2,0,0]=4 1062 B16R2.2918 CC(C)n1cc(cn1)c2cccc(c2)I 271570a_100000043368_100012073297 [0,1,0,1,0,0|2,0,0]=4 1063 B16R2.2918 CC(C)n1cc(cn1)c2cccc(c2)N 271570a_100000070172_100000210019 [0,1,0,1,0,0|2,0,0]=4 1064 B16R2.2918 CC(C)n1cc(cn1)c2cccc(c2)N 271570a_100000699968_100012073297 [0,1,0,1,0,0|2,0,0]=4 1065 B16R2.2918 CC(C)n1cc(cn1)c2cccc(c2)O 271570a_100000070172_100000211634 [0,1,0,1,0,0|2,0,0]=4 1066 B16R2.2918 CC(C)n1cc(cn1)c2cccc(c2)O 271570a_100000693801_100012073297 [0,1,0,1,0,0|2,0,0]=4 1067 B16R2.2918 CC(C)n1cc(cn1)c2cccc(c2)[S] 271570a_100000070172_114929384022 [0,1,0,1,0,0|2,0,0]=4 1068 B16R2.2918 Cc1cccc(c1)c2cnn(c2)C(C)C 271570a_100000070172_100011215228 [0,1,0,1,0,0|2,0,0]=4 1069 B16R2.2918 Cc1cccc(c1)c2cnn(c2)C(C)C 271570a_100000749446_100012073297 [0,1,0,1,0,0|2,0,0]=4 1070 B16R2.15551 CC(C)C=Cc1csc2c1cc(cc2)N 271570a_100016257149_100011178648 [0,1,0,1,0,0|0,1,1]=4 1071 B16R2.15551 CC(C)CSc1csc2c1cc(cc2)N 62a_100000210624_100011178648 [0,1,0,1,0,0|1,1,0]=4 1072 B16R2.15551 CC(C)CSc1csc2c1cc(cc2)N 62a_100011178648_100000210760 [0,1,0,1,0,0|1,1,0]=4 1073 B16R2.14 CCC(C)COc1csc2c1cccc2 34a_100000077758_100000748023 [0,1,0,1,0,0|1,1,0]=4 1074 B16R2.14 CCC(C)COc1csc2c1cccc2 7a_100000077758_100000748023 [0,1,0,1,0,0|1,1,0]=4 1075 B16R2.14 CCC(C)CSc1coc2c1cccc2 62a_100000748023_100009812202 [0,1,0,1,0,0|1,0,1]=4 1076 B16R2.14 CC[C@H](C)COc1csc2c1cccc2 34a_100000077758_100009816398 [0,1,0,1,0,0|1,1,0]=4 1077 B16R2.14 CC[C@H](C)COc1csc2c1cccc2 7a_100000077758_100009816398 [0,1,0,1,0,0|1,1,0]=4 1078 B16R2.14 CC[C@H](C)CSc1coc2c1cccc2 62a_100009816398_100009812202 [0,1,0,1,0,0|1,0,1]=4 1079 B16R2.14 CNC(C)CCc1c[nH]c2c1cccc2 270004a_106832991635_100102524982 [0,1,0,1,0,0|1,0,1]=4 1080 B16R2.14 C[C@@H](CO)COc1csc2c1cccc2 34a_100000077758_100000059175 [0,1,0,1,0,0|1,1,0]=4 1081 B16R2.14 C[C@@H](CO)COc1csc2c1cccc2 7a_100000077758_100000059175 [0,1,0,1,0,0|1,1,0]=4 1082 B16R2.14 C[C@@H](CO)CSc1coc2c1cccc2 62a_100000059175_100009812202 [0,1,0,1,0,0|1,0,1]=4 1083 B16R2.14 C[C@@H](CO)CSc1csc2c1cccc2 62a_100000059175_100009813928 [0,1,0,1,0,0|1,1,0]=4 1084 B16R2.161 CC(C)Cn1nccc1c2ccccc2 271570a_100010068989_100000210277 [0,1,0,1,0,0|2,0,0]=4 1085 B16R2.104522 CC(C)CNC1CC(=O)c2c1cccc2 2230a_100000210953_100010208147 [0,1,0,1,0,0|1,0,1]=4 1086 B16R2.104522 CC(C)CNC1OC(=O)c2c1cccc2 2230a_100000210953_100009813457 [0,1,0,1,0,0|1,0,1]=4 1087 B16R2.104522 CC(C)CSC1CC(=O)c2c1cccc2 62a_100000210624_100010208147 [0,1,0,1,0,0|1,0,1]=4 1088 B16R2.104522 CC(C)CSC1CC(=O)c2c1cccc2 62a_100010208147_100000210760 [0,1,0,1,0,0|1,0,1]=4 1089 B16R2.104522 CC(C)CSC1OC(=O)c2c1cccc2 62a_100000210624_100009813457 [0,1,0,1,0,0|1,0,1]=4 1090 B16R2.179941 CC(C)C=Cc1cccc2c1cccc2 271570a_100016257149_100000210605 [0,1,0,1,0,0|1,0,1]=4 1091 B16R2.179941 CC(C)C=Cc1ccnc2c1cccc2 271570a_100016257149_100011215880 [0,1,0,1,0,0|1,0,1]=4 1092 B16R2.179941 CC(C)C=Cc1cncc2c1cccc2 271570a_100016257149_100000187577 [0,1,0,1,0,0|1,0,1]=4 1093 B16R2.179941 CC(C)C=Cc1cnnc2c1cccc2 271570a_100016257149_100000063506 [0,1,0,1,0,0|1,0,1]=4 1094 B16R2.179941 CC(C)C=Cc1nccc2c1cccc2 271570a_100016257149_100011934041 [0,1,0,1,0,0|1,0,1]=4 1095 B16R2.179941 CC(C)C=Cc1ncnc2c1cccc2 271570a_100016257149_100000217608 [0,1,0,1,0,0|1,0,1]=4 1096 B16R2.179941 CC(C)CNc1cccc2c1cccc2 34a_100000185869_100000210624 [0,1,0,1,0,0|2,0,0]=4 1097 B16R2.179941 CC(C)CNc1ccnc2c1cccc2 27a_100000210953_100011215880 [0,1,0,1,0,0|2,0,0]=4 1098 B16R2.179941 CC(C)CNc1cnnc2c1cccc2 27a_100000210953_100000063506 [0,1,0,1,0,0|2,0,0]=4 1099 B16R2.179941 CC(C)CNc1nccc2c1cccc2 27a_100000210953_100011934041 [0,1,0,1,0,0|2,0,0]=4 1100 B16R2.179941 CC(C)CNc1ncnc2c1cccc2 27a_100000210953_100000217608 [0,1,0,1,0,0|2,0,0]=4 1101 B16R2.179941 CC(C)COc1cccc2c1cccc2 34a_100000210388_100000210624 [0,1,0,1,0,0|2,0,0]=4 1102 B16R2.179941 CC(C)COc1cccc2c1cccc2 7a_100000210388_100000210760 [0,1,0,1,0,0|2,0,0]=4 1103 B16R2.179941 CC(C)COc1cncc2c1cccc2 34a_100000066178_100000210624 [0,1,0,1,0,0|2,0,0]=4 1104 B16R2.179941 CC(C)COc1cncc2c1cccc2 7a_100000066178_100000210760 [0,1,0,1,0,0|2,0,0]=4 1105 B16R2.179941 CC(C)COc1nccc2c1cccc2 34a_102531767632_100000210624 [0,1,0,1,0,0|2,0,0]=4 1106 B16R2.179941 CC(C)CSc1cccc2c1cccc2 62a_100000210624_100000210605 [0,1,0,1,0,0|2,0,0]=4 1107 B16R2.179941 CC(C)CSc1ccnc2c1cccc2 62a_100000210624_100011215880 [0,1,0,1,0,0|2,0,0]=4 1108 B16R2.179941 CC(C)CSc1ccnc2c1cccc2 62a_100011458314_100000210760 [0,1,0,1,0,0|2,0,0]=4 1109 B16R2.179941 CC(C)CSc1cncc2c1cccc2 62a_100000187577_100000210760 [0,1,0,1,0,0|2,0,0]=4 1110 B16R2.179941 CC(C)CSc1cncc2c1cccc2 62a_100000210624_100000187577 [0,1,0,1,0,0|2,0,0]=4 1111 B16R2.179941 CC(C)CSc1cnnc2c1cccc2 62a_100000210624_100000063506 [0,1,0,1,0,0|2,0,0]=4 1112 B16R2.179941 CC(C)CSc1nccc2c1cccc2 62a_100000210624_100011934041 [0,1,0,1,0,0|2,0,0]=4 1113 B16R2.179941 CC(C)CSc1nccc2c1cccc2 62a_100011934041_100000210760 [0,1,0,1,0,0|2,0,0]=4 1114 B16R2.179941 CC(C)CSc1ncnc2c1cccc2 62a_100000210624_100000217608 [0,1,0,1,0,0|2,0,0]=4 1115 B16R2.179941 CC(C)CSc1ncnc2c1cccc2 62a_100000753007_100000210760 [0,1,0,1,0,0|2,0,0]=4 1116 B16R2.520 CC(C)CC(=O)C1=CCc2c1cccc2 1458a_100000037392_100000210624 [0,1,0,1,0,0|1,0,0]=3 1117 B16R2.520 CC(C)CC(=O)C1C=Cc2c1cccc2 1458a_200009832160_100000210624 [0,1,0,1,0,0|1,0,1]=4 1118 B16R2.520 CC(C)C[C@H](N)c1coc2c1cccc2 271570a_100015190218_100009812202 [0,1,0,1,0,0|0,0,2]=4 1119 B16R2.520 CC(C)C[C@H](N)c1csc2c1cccc2 271570a_100015190218_100009813928 [0,1,0,1,0,0|0,1,1]=4 1120 B16R2.520 CC(C)NC(=O)C1=CCc2c1cccc2 11a_100138425928_100000037392 [0,1,0,1,0,0|2,0,0]=4 1121 B16R2.520 CC(C)NC(=O)C1=CCc2c1cccc2 1626a_100138425928_100000037392 [0,1,0,1,0,0|2,0,0]=4 1122 B16R2.520 CC(C)NC(=O)C1=CCc2c1cccc2 240690a_100138425928_100000037392 [0,1,0,1,0,0|2,0,0]=4 1123 B16R2.520 CC(O)CC(=O)C1=CCc2c1cccc2 1458a_100000037392_100011218427 [0,1,0,1,0,0|2,0,0]=4 1124 B16R2.520 CN(C)CC(=O)c1c[nH]c2c1cccc2 2230a_100102631434_100000183220 [0,1,0,1,0,0|2,0,0]=4 1125 B16R2.520 CN(C)CC(=O)c1c[nH]c2c1cccc2 269982a_100102631434_100000183220 [0,1,0,1,0,0|2,0,0]=4 1126 B16R2.520 CN(C)CC(=O)c1coc2c1cccc2 269982a_100102631434_100000233777 [0,1,0,1,0,0|1,0,1]=4 1127 B16R2.520 CN(C)CC(=O)c1csc2c1cccc2 2230a_100102631434_100000689783 [0,1,0,1,0,0|1,1,0]=4 1128 B16R2.520 CN(C)CC(=O)c1csc2c1cccc2 269982a_100102631434_100000689783 [0,1,0,1,0,0|1,1,0]=4 1129 B16R2.2309 CC(C)(C)n1cc(cn1)c2ccccc2 271570a_100010075016_100000210277 [0,1,0,1,0,0|2,0,0]=4 1130 B16R2.2309 CC(C)(C)n1cc(cn1)c2ccccc2 271570a_100011218836_100012351955 [0,1,0,1,0,0|2,0,0]=4 1131 B16R2.2947 CC(C)(C)C=Cc1coc2c1cccc2 271570a_100102527731_100009812202 [0,1,0,1,0,0|0,0,2]=4 1132 B16R2.2947 CC(C)(C)C=Cc1csc2c1cccc2 271570a_100102527731_100009813928 [0,1,0,1,0,0|0,1,1]=4 1133 B16R2.2947 CC(C)(C)COc1csc2c1cccc2 34a_100000077758_100011219605 [0,1,0,1,0,0|1,1,0]=4 1134 B16R2.2947 CC(C)(C)CSc1coc2c1cccc2 62a_100011219605_100009812202 [0,1,0,1,0,0|1,0,1]=4 1135 B16R2.2947 CC(C)(F)COc1csc2c1cccc2 34a_100000077758_100011997219 [0,1,0,1,0,0|1,1,0]=4 1136 B16R2.2947 CC(C)(F)CSc1coc2c1cccc2 62a_100011997219_100009812202 [0,1,0,1,0,0|1,0,1]=4 1137 B16R2.2947 CC(C)(F)CSc1csc2c1cccc2 62a_100011997219_100009813928 [0,1,0,1,0,0|1,1,0]=4 1138 B16R2.2947 CC(C)(O)C=Cc1coc2c1cccc2 271570a_200016258132_100009812202 [0,1,0,1,0,0|0,0,2]=4 1139 B16R2.2947 CC(C)(O)C=Cc1csc2c1cccc2 271570a_200016258132_100009813928 [0,1,0,1,0,0|0,1,1]=4 1140 B16R2.2947 CC(C)(O)COc1csc2c1cccc2 34a_100000077758_100000764493 [0,1,0,1,0,0|1,1,0]=4 1141 B16R2.2947 CC(C)(O)COc1csc2c1cccc2 7a_100000077758_100000764493 [0,1,0,1,0,0|1,1,0]=4 1142 B16R2.2947 CC(C)(O)CSc1coc2c1cccc2 62a_100000764493_100009812202 [0,1,0,1,0,0|1,0,1]=4 1143 B16R2.2947 CC(C)(O)CSc1csc2c1cccc2 62a_100000764493_100009813928 [0,1,0,1,0,0|1,1,0]=4 1144 B16R2.3264 CC1(CC=C(CC1)c2ccccc2Cl)C 271570a_100000069032_100000764095 [0,1,0,1,0,0|1,0,1]=4 1145 B16R2.3264 CC1(CC=C(CC1)c2ccccc2F)C 271570a_100000069032_100011215700 [0,1,0,1,0,0|1,0,1]=4 1146 B16R2.3264 CC1(CC=C(CC1)c2ccccc2N)C 271570a_100000069032_100000210017 [0,1,0,1,0,0|1,0,1]=4 1147 B16R2.3264 CC1(CC=C(CC1)c2ccccc2O)C 271570a_100000069032_100000739446 [0,1,0,1,0,0|1,0,1]=4 1148 B16R2.3264 Cc1ccccc1C2=CCC(CC2)(C)C 271570a_100000069032_100000210755 [0,1,0,1,0,0|1,0,1]=4 1149 B16R2.3270 CC(C)n1cc(cn1)c2ccccc2Br 271570a_100000070172_100000695589 [0,1,0,1,0,0|2,0,0]=4 1150 B16R2.3270 CC(C)n1cc(cn1)c2ccccc2Cl 271570a_100000070172_100000764095 [0,1,0,1,0,0|2,0,0]=4 1151 B16R2.3270 CC(C)n1cc(cn1)c2ccccc2Cl 271570a_100011934419_100012073297 [0,1,0,1,0,0|2,0,0]=4 1152 B16R2.3270 CC(C)n1cc(cn1)c2ccccc2F 271570a_100000070172_100011215700 [0,1,0,1,0,0|2,0,0]=4 1153 B16R2.3270 CC(C)n1cc(cn1)c2ccccc2F 271570a_100000761933_100012073297 [0,1,0,1,0,0|2,0,0]=4 1154 B16R2.3270 CC(C)n1cc(cn1)c2ccccc2I 271570a_100000069755_100012073297 [0,1,0,1,0,0|2,0,0]=4 1155 B16R2.3270 CC(C)n1cc(cn1)c2ccccc2N 271570a_100000034411_100012073297 [0,1,0,1,0,0|2,0,0]=4 1156 B16R2.3270 CC(C)n1cc(cn1)c2ccccc2N 271570a_100000070172_100000210017 [0,1,0,1,0,0|2,0,0]=4 1157 B16R2.3270 CC(C)n1cc(cn1)c2ccccc2O 271570a_100000035170_100012073297 [0,1,0,1,0,0|2,0,0]=4 1158 B16R2.3270 CC(C)n1cc(cn1)c2ccccc2O 271570a_100000070172_100000739446 [0,1,0,1,0,0|2,0,0]=4 1159 B16R2.3270 Cc1ccccc1c2cnn(c2)C(C)C 271570a_100000070172_100000210755 [0,1,0,1,0,0|2,0,0]=4 1160 B16R2.3270 Cc1ccccc1c2cnn(c2)C(C)C 271570a_100000747142_100012073297 [0,1,0,1,0,0|2,0,0]=4 1161 B16R2.4003 CC(C)CSC1C(=O)Nc2c1cccc2 62a_100000210624_200009996675 [0,1,0,1,0,0|1,0,1]=4 1162 B16R2.4003 CC(C)NN=C1C(=O)Nc2c1cccc2 4a_100000741168_100000185742 [0,1,0,1,0,0|2,0,0]=4 1163 B16R2.4003 CC(C)NN=C1C(=O)Sc2c1cccc2 4a_100000741168_100011996146 [0,1,0,1,0,0|2,0,0]=4 1164 B16R2.4003 Cc1oc2ccccc2c1C=CC(C)C 271570a_100016257149_200010236113 [0,1,0,1,0,0|0,0,2]=4 1165 B16R2.4003 Cc1oc2ccccc2c1SCC(C)C 62a_100000210624_200010236113 [0,1,0,1,0,0|1,0,1]=4 1166 B16R2.4003 Cc1sc2ccccc2c1C=CC(C)C 271570a_100016257149_100010002616 [0,1,0,1,0,0|0,1,1]=4 1167 B16R2.4003 Cc1sc2ccccc2c1SCC(C)C 62a_100000210624_100010002616 [0,1,0,1,0,0|1,1,0]=4 1168 B16R2.4003 Cc1sc2ccccc2c1SCC(C)C 62a_100010002616_100000210760 [0,1,0,1,0,0|1,1,0]=4 1169 B16R2.12862 CC(=O)C(NCC1CC1)c2ccccc2 2230a_100000735609_100009888967 [0,1,0,1,0,0|1,0,1]=4 1170 B16R2.12862 CC(=O)C(SCC1CC1)c2ccccc2 62a_100000756562_100009888967 [0,1,0,1,0,0|1,0,1]=4 1171 B16R2.12862 CC(=O)C(SCC1CC1)c2ccccc2 62a_100009888967_100000742324 [0,1,0,1,0,0|1,0,1]=4 1172 B16R2.12862 NC(=O)C(NCC1CC1)c2ccccc2 2230a_100000735609_100000188848 [0,1,0,1,0,0|1,0,1]=4 1173 B16R2.12862 NC(=O)C(OCC1CC1)c2ccccc2 34a_100011200849_100000742324 [0,1,0,1,0,0|1,0,1]=4 1174 B16R2.12862 NC(=O)C(OCC1CC1)c2ccccc2 7a_100011200849_100000742324 [0,1,0,1,0,0|1,0,1]=4 1175 B16R2.12862 NC(=O)C(SCC1CC1)c2ccccc2 62a_100000188848_100000742324 [0,1,0,1,0,0|1,0,1]=4 1176 B16R2.12862 NC(=O)C(SCC1CC1)c2ccccc2 62a_100000756562_100000188848 [0,1,0,1,0,0|1,0,1]=4 1177 B16R2.12862 NC(=O)[C@H](NCC1CC1)c2ccccc2 2230a_100011423151_100000742324 [0,1,0,1,0,0|1,0,1]=4 1178 B16R2.12862 O=C(O)C(NCC1CC1)c2ccccc2 269956a_100000230147_100000742324 [0,1,0,1,0,0|1,0,1]=4 1179 B16R2.25410 CC(=O)C(c1ccccc1)N2CC(C2)C 2230a_100000702820_100009888967 [0,1,0,1,0,0|1,0,1]=4 1180 B16R2.25410 CC(=O)C(c1ccccc1)N2CC(C2)C 269982a_100000702820_100009888967 [0,1,0,1,0,0|1,0,1]=4 1181 B16R2.25410 CC1CN(C1)C(C(=O)N)c2ccccc2 2230a_100000702820_100000188848 [0,1,0,1,0,0|1,0,1]=4 1182 B16R2.25410 CC1CN(C1)C(C(=O)N)c2ccccc2 269982a_100000702820_100000188848 [0,1,0,1,0,0|1,0,1]=4 1183 B16R3.1814 C(=CC1CC1)c2coc3c2cccc3 271570a_100102526188_100009812202 [0,0,0,2,0,0|0,0,2]=4 1184 B16R3.1814 C(=CC1CC1)c2csc3c2cccc3 271570a_100102526188_100009813928 [0,0,0,2,0,0|0,1,1]=4 1185 B16R3.1814 c1ccc2c(coc2c1)SCC3CC3 62a_100000756562_100009812202 [0,0,0,2,0,0|1,0,1]=4 1186 B16R3.1814 c1ccc2c(csc2c1)OCC3CC3 34a_100000077758_100000742324 [0,0,0,2,0,0|1,1,0]=4 1187 B16R3.1814 c1ccc2c(csc2c1)OCC3CC3 7a_100000077758_100000742324 [0,0,0,2,0,0|1,1,0]=4 1188 B16R3.1814 c1ccc2c(csc2c1)SCC3CC3 62a_100000756562_100009813928 [0,0,0,2,0,0|1,1,0]=4 1189 B16R3.1791 c1ccc(cc1)c2cnn(c2)C3CC3 271570a_100010074687_100000210277 [0,0,0,2,0,0|2,0,0]=4 1190 B16R3.1791 c1ccc(cc1)c2cnn(c2)C3CC3 271570a_100011218836_100009860675 [0,0,0,2,0,0|2,0,0]=4 1191 B12R1.107 C=C(C)CC(=O)c1ccccc1 1458a_100000185807_100000748629 [1,0,0,0,1,0|0,0,2]=4 1192 B12R1.107 CC(=O)CC(=O)c1ccccc1 1458a_100000070787_100000211460 [1,0,0,0,1,0|1,0,1]=4 1193 B12R1.107 CC(C)CC(=O)c1ccccc1 1458a_100000185807_100000210624 [1,0,0,0,1,0|0,0,0]=2 1194 B12R1.107 CC(C)CN(C)c1ccccc1 2230a_100000210012_100000210760 [1,0,0,0,1,0|1,0,1]=4 1195 B12R1.107 CC(C)CN(C)c1ccccc1 269982a_100000210012_100000210624 [1,0,0,0,1,0|1,0,1]=4 1196 B12R1.107 CC(C)CN(C)c1ccccc1 34a_100000210012_100000210624 [1,0,0,0,1,0|1,0,1]=4 1197 B12R1.107 CC(C)C[C@H](N)c1ccccc1 271570a_100015190218_100000210277 [1,0,0,0,1,0|1,0,1]=4 1198 B12R1.107 CC(C)NC(=O)c1ccccc1 11a_100138425928_100000185807 [1,0,0,0,1,0|1,0,0]=3 1199 B12R1.107 CC(C)NC(=O)c1ccccc1 1626a_100138425928_100000185807 [1,0,0,0,1,0|1,0,0]=3 1200 B12R1.107 CC(C)NC(=O)c1ccccc1 240690a_100138425928_100000185807 [1,0,0,0,1,0|1,0,0]=3 1201 B12R1.107 CC(C)NC(=O)c1ccccc1 527a_100138425928_100000185807 [1,0,0,0,1,0|1,0,0]=3 1202 B12R1.107 CC(O)CC(=O)c1ccccc1 1458a_100000185807_100011218427 [1,0,0,0,1,0|1,0,0]=3 1203 B12R1.107 CN(C)CC(=O)c1ccccc1 269982a_100102631434_100000211460 [1,0,0,0,1,0|1,0,0]=3 1204 B12R1.107 CN(C)CC(=O)c1ccccn1 269982a_100102631434_100000027445 [1,0,0,0,1,0|2,0,0]=4 1205 B12R1.107 CN(C)CC(=O)c1cccnc1 269982a_100102631434_100000757877 [1,0,0,0,1,0|2,0,0]=4 1206 B12R1.107 CN(C)CC(=O)c1ccncc1 269982a_100102631434_100000027454 [1,0,0,0,1,0|2,0,0]=4 1207 B12R1.107 CN(C)CS(=O)c1ccccc1 269982a_100102631434_100000031784 [1,0,0,0,1,0|2,0,0]=4 1208 B12R1.107 O=C(CC(F)F)c1ccccc1 1458a_100000185807_100011934356 [1,0,0,0,1,0|2,0,0]=4 1209 B14R1.420 CC(=CCCC(=O)c1ccccc1)C 1458a_100000185807_100011217483 [1,0,0,0,0,1|0,0,2]=4 1210 B14R1.420 CC(=CCNC(=O)c1ccccc1)C 11a_100000718196_100000185807 [1,0,0,0,0,1|1,0,1]=4 1211 B14R1.420 CC(=CCNC(=O)c1ccccc1)C 1626a_100000718196_100000185807 [1,0,0,0,0,1|1,0,1]=4 1212 B14R1.420 CC(=CCNC(=O)c1ccccc1)C 527a_100000718196_100000185807 [1,0,0,0,0,1|1,0,1]=4 1213 B14R1.420 CC(C)C=NNC(=O)c1ccccc1 4a_100000184135_100000210432 [1,0,0,0,0,1|1,0,1]=4 1214 B14R1.420 CC(C)CCCC(=O)c1ccccc1 1458a_100000185807_100011214892 [1,0,0,0,0,1|0,0,1]=3 1215 B14R1.420 CC(C)CCNC(=O)c1ccccc1 11a_100000210545_100000185807 [1,0,0,0,0,1|0,0,1]=3 1216 B14R1.420 CC(C)CCNC(=O)c1ccccc1 1626a_100000210545_100000185807 [1,0,0,0,0,1|0,0,1]=3 1217 B14R1.420 CC(C)CCNC(=O)c1ccccc1 240690a_100000210545_100000185807 [1,0,0,0,0,1|0,0,1]=3 1218 B14R1.420 CC(C)CCNC(=O)c1ccccc1 527a_100000210545_100000185807 [1,0,0,0,0,1|0,0,1]=3 1219 B14R1.420 CC(C)CNCC(=O)c1ccccn1 34a_100000210953_100000027445 [1,0,0,0,0,1|1,0,1]=4 1220 B14R1.420 CC(C)CNNC(=O)c1ccccc1 22a_100000696102_100000185807 [1,0,0,0,0,1|1,0,0]=3 1221 B14R1.420 CC(C)COCC(=O)c1ccccn1 34a_100000210257_100000027445 [1,0,0,0,0,1|1,0,1]=4 1222 B14R1.420 CC(C)CSCC(=O)c1ccccc1 62a_100000210624_100000211460 [1,0,0,0,0,1|0,0,1]=3 1223 B14R1.420 CC(C)CSCC(=O)c1ccccc1 62a_100000211460_100000210760 [1,0,0,0,0,1|0,0,1]=3 1224 B14R1.420 CC(C)CSCC(=O)c1ccccn1 62a_100000027445_100000210760 [1,0,0,0,0,1|1,0,1]=4 1225 B14R1.420 CC(C)CSCC(=O)c1ccccn1 62a_100000210624_100000027445 [1,0,0,0,0,1|1,0,1]=4 1226 B14R1.420 CC(C)CSCC(=O)c1cccnc1 62a_100000210624_100000757877 [1,0,0,0,0,1|1,0,1]=4 1227 B14R1.420 CC(C)CSCC(=O)c1cccnc1 62a_100000757877_100000210760 [1,0,0,0,0,1|1,0,1]=4 1228 B14R1.420 CC(C)CSCC(=O)c1ccncc1 62a_100000027454_100000210760 [1,0,0,0,0,1|1,0,1]=4 1229 B14R1.420 CC(C)CSCC(=O)c1ccncc1 62a_100000210624_100000027454 [1,0,0,0,0,1|1,0,1]=4 1230 B14R1.420 CC(C)CSCS(=O)c1ccccc1 62a_100000210624_100000031784 [1,0,0,0,0,1|1,0,1]=4 1231 B14R1.420 CC(C)NCCC(=O)c1ccccc1 2230a_100138425928_100000750707 [1,0,0,0,0,1|0,0,1]=3 1232 B14R1.420 CC(C)NCCS(=O)c1ccccc1 2230a_100138425928_100000740319 [1,0,0,0,0,1|1,0,1]=4 1233 B14R1.420 CC(C)OCCC(=O)c1ccccc1 1458a_100000185807_100000211751 [1,0,0,0,0,1|0,0,1]=3 1234 B14R1.420 CC(C)SCCC(=O)c1ccccc1 1458a_100000185807_100000730970 [1,0,0,0,0,1|0,0,1]=3 1235 B14R1.420 CC(C)SCCC(=O)c1ccccc1 62a_100000210206_100000750707 [1,0,0,0,0,1|0,0,1]=3 1236 B14R1.420 CC(C)SCCC(=O)c1ccccc1 62a_100000750707_100000210206 [1,0,0,0,0,1|0,0,1]=3 1237 B14R1.420 CC(C)SCCS(=O)c1ccccc1 62a_100000210206_100000740319 [1,0,0,0,0,1|1,0,1]=4 1238 B14R1.420 CC(C)SCOC(=O)c1ccccc1 62a_100000073877_100000210206 [1,0,0,0,0,1|1,0,0]=3 1239 B14R1.420 CC(C)SCOC(=O)c1ccccc1 62a_100000210206_100000073877 [1,0,0,0,0,1|1,0,0]=3 1240 B14R1.420 CC(O)CCCC(=O)c1ccccc1 1458a_100000185807_200000718107 [1,0,0,0,0,1|1,0,1]=4 1241 B14R1.420 CC(O)CCNC(=O)c1ccccc1 240690a_200000755665_100000185807 [1,0,0,0,0,1|1,0,1]=4 1242 B14R1.420 CC(O)CCNC(=O)c1ccccc1 527a_200000755665_100000185807 [1,0,0,0,0,1|1,0,1]=4 1243 B14R1.420 CC(O)CNNC(=O)c1ccccc1 22a_200000730056_100000185807 [1,0,0,0,0,1|2,0,0]=4 1244 B14R1.420 CC(O)CSCC(=O)c1ccccc1 62a_100000211460_100011218427 [1,0,0,0,0,1|1,0,1]=4 1245 B14R1.420 CC(O)CSCC(=O)c1ccccc1 62a_100011218427_100000211460 [1,0,0,0,0,1|1,0,1]=4 1246 B14R1.420 CN(C)CCCC(=O)c1ccccc1 1458a_100000185807_100000695564 [1,0,0,0,0,1|1,0,1]=4 1247 B14R1.420 CN(C)CCCC(=O)c1ccccc1 2230a_100102631434_100000211006 [1,0,0,0,0,1|1,0,1]=4 1248 B14R1.420 CN(C)CCCC(=O)c1ccccc1 269982a_100102631434_100000211006 [1,0,0,0,0,1|1,0,1]=4 1249 B14R1.420 CN(C)CCNC(=O)c1ccccc1 240690a_100000210585_100000185807 [1,0,0,0,0,1|1,0,1]=4 1250 B14R1.420 CN(C)CCNC(=O)c1ccccc1 269982a_100102631434_200011215302 [1,0,0,0,0,1|1,0,1]=4 1251 B14R1.420 CN(C)CCNC(=O)c1ccccc1 527a_100000210585_100000185807 [1,0,0,0,0,1|1,0,1]=4 1252 B14R1.420 CN(C)CCOC(=O)c1ccccc1 269982a_100102631434_100009812718 [1,0,0,0,0,1|1,0,1]=4 1253 B14R1.420 C[C@@H](O)CSCC(=O)c1ccccc1 62a_100000211460_100009817552 [1,0,0,0,0,1|1,0,1]=4 1254 B14R1.420 C[C@@H](O)CSCC(=O)c1ccccc1 62a_100009817552_100000211460 [1,0,0,0,0,1|1,0,1]=4 1255 B14R1.423 CC(C)C=CC(=O)Cc1ccccc1 1458a_100016268746_100015291786 [1,0,0,0,0,1|0,0,1]=3 1256 B14R1.423 CC(C)C=CC(=O)Cc1ccccn1 1458a_100016268746_100000721315 [1,0,0,0,0,1|1,0,1]=4 1257 B14R1.423 CC(C)C=CC(=O)Cc1cccnc1 1458a_100016268746_100000733263 [1,0,0,0,0,1|1,0,1]=4 1258 B14R1.423 CC(C)C=CC(=O)Cc1ccncc1 1458a_100016268746_100000705612 [1,0,0,0,0,1|1,0,1]=4 1259 B14R1.423 CC(C)C=CC(=O)Nc1ccccc1 11a_100000106764_100016268746 [1,0,0,0,0,1|0,0,1]=3 1260 B14R1.423 CC(C)C=CC(=O)Nc1ccccc1 1626a_100000106764_100016268746 [1,0,0,0,0,1|0,0,1]=3 1261 B14R1.423 CC(C)C=CC(=O)Nc1ccccc1 22a_100000106764_100016268746 [1,0,0,0,0,1|0,0,1]=3 1262 B14R1.423 CC(C)CCC(=O)C[n+]1ccccc1 1458a_200000086051_100000210312 [1,0,0,0,0,1|1,0,1]=4 1263 B14R1.423 CC(C)CCC(=O)Cc1ccccc1 1458a_100000181311_100015291786 [1,0,0,0,0,1|0,0,1]=3 1264 B14R1.423 CC(C)CCC(=O)Cc1ccccn1 1458a_100000181311_100000721315 [1,0,0,0,0,1|1,0,1]=4 1265 B14R1.423 CC(C)CCC(=O)Cc1ccccn1 1458a_100000233486_100000210312 [1,0,0,0,0,1|1,0,1]=4 1266 B14R1.423 CC(C)CCC(=O)Cc1cccnc1 1458a_100000181311_100000733263 [1,0,0,0,0,1|1,0,1]=4 1267 B14R1.423 CC(C)CCC(=O)Cc1cccnc1 1458a_100000737805_100000210312 [1,0,0,0,0,1|1,0,1]=4 1268 B14R1.423 CC(C)CCC(=O)Cc1ccncc1 1458a_100000181311_100000705612 [1,0,0,0,0,1|1,0,1]=4 1269 B14R1.423 CC(C)CCC(=O)Nc1ccccc1 11a_100000106764_100000181311 [1,0,0,0,0,1|0,0,1]=3 1270 B14R1.423 CC(C)CCC(=O)Nc1ccccc1 1626a_100000106764_100000181311 [1,0,0,0,0,1|0,0,1]=3 1271 B14R1.423 CC(C)CCC(=O)Nc1ccccc1 22a_100000106764_100000181311 [1,0,0,0,0,1|0,0,1]=3 1272 B14R1.423 CC(C)CCC(=O)Nc1ccccc1 527a_100000106764_100000181311 [1,0,0,0,0,1|0,0,1]=3 1273 B14R1.423 CC(C)CNC(=O)C[n+]1ccccc1 11a_100000210953_200000086051 [1,0,0,0,0,1|2,0,0]=4 1274 B14R1.423 CC(C)CNC(=O)C[n+]1ccccc1 240690a_100000210953_200000086051 [1,0,0,0,0,1|2,0,0]=4 1275 B14R1.423 CC(C)CNC(=O)C[n+]1ccccc1 527a_100000210953_200000086051 [1,0,0,0,0,1|2,0,0]=4 1276 B14R1.423 CC(C)CNC(=O)Cc1ccccn1 11a_100000210953_100000233486 [1,0,0,0,0,1|2,0,0]=4 1277 B14R1.423 CC(C)CNC(=O)Cc1cccnc1 11a_100000210953_100000737805 [1,0,0,0,0,1|2,0,0]=4 1278 B14R1.423 CC(C)CNC(=O)Cc1cccnc1 240690a_100000210953_100000737805 [1,0,0,0,0,1|2,0,0]=4 1279 B14R1.423 CC(C)CNC(=O)Cc1cccnc1 527a_100000210953_100000737805 [1,0,0,0,0,1|2,0,0]=4 1280 B14R1.423 CC(C)CNC(=O)Cc1ccncc1 11a_100000210953_100011201483 [1,0,0,0,0,1|2,0,0]=4 1281 B14R1.423 CC(C)CNC(=O)Cc1ccncc1 240690a_100000210953_100011201483 [1,0,0,0,0,1|2,0,0]=4 1282 B14R1.423 CC(C)CNC(=O)Nc1ccccc1 2430a_100000106764_100000210953 [1,0,0,0,0,1|1,0,0]=3 1283 B14R1.423 CC(C)NCC(=O)Cc1ccccc1 2230a_100138425928_100000233483 [1,0,0,0,0,1|1,0,1]=4 1284 B14R1.423 CC(C)NCC(=O)Nc1ccccc1 2230a_100138425928_100000182850 [1,0,0,0,0,1|1,0,1]=4 1285 B14R1.423 CC(C)NCC(=O)Nc1ccccc1 34a_100138425928_100000182850 [1,0,0,0,0,1|1,0,1]=4 1286 B14R1.423 CC(C)NCC(=O)Oc1ccccc1 2230a_100138425928_100009813826 [1,0,0,0,0,1|1,0,1]=4 1287 B14R1.423 CC(C)NCC(=O)Oc1ccccc1 34a_100138425928_100009813826 [1,0,0,0,0,1|1,0,1]=4 1288 B14R1.423 CC(C)OCC(=O)Cc1ccccc1 1458a_100000745533_100015291786 [1,0,0,0,0,1|1,0,1]=4 1289 B14R1.423 CC(C)OCC(=O)Nc1ccccc1 11a_100000106764_100000745533 [1,0,0,0,0,1|1,0,1]=4 1290 B14R1.423 CC(C)OCC(=O)Nc1ccccc1 1626a_100000106764_100000745533 [1,0,0,0,0,1|1,0,1]=4 1291 B14R1.423 CC(C)OCC(=O)Nc1ccccc1 22a_100000106764_100000745533 [1,0,0,0,0,1|1,0,1]=4 1292 B14R1.423 CC(C)OCC(=O)Nc1ccccc1 34a_100000212225_100000182850 [1,0,0,0,0,1|1,0,1]=4 1293 B14R1.423 CC(C)OCC(=O)Nc1ccccc1 34a_100000246334_100000210206 [1,0,0,0,0,1|1,0,1]=4 1294 B14R1.423 CC(C)OCC(=O)Nc1ccccc1 527a_100000106764_100000745533 [1,0,0,0,0,1|1,0,1]=4 1295 B14R1.423 CC(C)OCC(=O)Oc1ccccc1 34a_100000212225_100009813826 [1,0,0,0,0,1|1,0,1]=4 1296 B14R1.423 CC(C)SCC(=O)Cc1ccccc1 1458a_100000241585_100015291786 [1,0,0,0,0,1|1,0,1]=4 1297 B14R1.423 CC(C)SCC(=O)Cc1ccccc1 62a_100000210206_100000233483 [1,0,0,0,0,1|1,0,1]=4 1298 B14R1.423 CC(C)SCC(=O)Cc1ccccc1 62a_100000233483_100000210206 [1,0,0,0,0,1|1,0,1]=4 1299 B14R1.423 CC(C)SCC(=O)Nc1ccccc1 11a_100000106764_100000241585 [1,0,0,0,0,1|1,0,1]=4 1300 B14R1.423 CC(C)SCC(=O)Nc1ccccc1 1626a_100000106764_100000241585 [1,0,0,0,0,1|1,0,1]=4 1301 B14R1.423 CC(C)SCC(=O)Nc1ccccc1 22a_100000106764_100000241585 [1,0,0,0,0,1|1,0,1]=4 1302 B14R1.423 CC(C)SCC(=O)Nc1ccccc1 527a_100000106764_100000241585 [1,0,0,0,0,1|1,0,1]=4 1303 B14R1.423 CC(C)SCC(=O)Nc1ccccc1 62a_100000210206_100000182850 [1,0,0,0,0,1|1,0,1]=4 1304 B14R1.423 CC(C)SCC(=O)Nc1ccccc1 62a_100012148978_100000210206 [1,0,0,0,0,1|1,0,1]=4 1305 B14R1.423 CC(C)SCC(=O)Oc1ccccc1 62a_100000210206_100009813826 [1,0,0,0,0,1|1,0,1]=4 1306 B14R1.423 CC(C)SCC(=O)Oc1ccccc1 62a_100009813826_100000210206 [1,0,0,0,0,1|1,0,1]=4 1307 B14R1.423 CC(O)CCC(=O)Nc1ccccc1 1626a_100000106764_100000718519 [1,0,0,0,0,1|1,0,1]=4 1308 B14R1.423 CC(O)CNC(=O)Nc1ccccc1 2430a_100000106764_100000210904 [1,0,0,0,0,1|2,0,0]=4 1309 B14R1.423 CN(C)CCC(=O)Nc1ccccc1 11a_100000106764_100000689311 [1,0,0,0,0,1|1,0,1]=4 1310 B14R1.423 CN(C)CCC(=O)Nc1ccccc1 2230a_100102631434_100000242058 [1,0,0,0,0,1|1,0,1]=4 1311 B14R1.423 CN(C)CCC(=O)Nc1ccccc1 22a_100000106764_100000689311 [1,0,0,0,0,1|1,0,1]=4 1312 B14R1.423 CN(C)CCC(=O)Nc1ccccc1 269982a_100102631434_100000242058 [1,0,0,0,0,1|1,0,1]=4 1313 B14R1.423 CN(C)CCC(=O)Nc1ccccc1 527a_100000106764_100000689311 [1,0,0,0,0,1|1,0,1]=4 1314 B14R1.423 CN(C)CCC(=O)Oc1ccccc1 2230a_100102631434_200000035796 [1,0,0,0,0,1|1,0,1]=4 1315 B14R1.423 CN(C)CCC(=O)Oc1ccccc1 269982a_100102631434_200000035796 [1,0,0,0,0,1|1,0,1]=4 1316 B14R1.423 C[S+](C)CCC(=O)Cc1ccccc1 1458a_100009452791_100015291786 [1,0,0,0,0,1|1,0,1]=4 1317 B14R1.423 C[S+](C)CCC(=O)Nc1ccccc1 11a_100000106764_100009452791 [1,0,0,0,0,1|1,0,1]=4 1318 B14R1.423 C[S+](C)CCC(=O)Nc1ccccc1 1626a_100000106764_100009452791 [1,0,0,0,0,1|1,0,1]=4 1319 B14R1.423 C[S+](C)CCC(=O)Nc1ccccc1 22a_100000106764_100009452791 [1,0,0,0,0,1|1,0,1]=4 1320 B16R1.2929 C/C=C(/C=NNCC(C)O)\c1ccccc1 4a_200000730056_200015352894 [0,0,0,0,0,2|2,0,0]=4