0 B12R2.18 Cc1c(sc2c1cccc2)O 271570a_203496583355_200010198769 [0,0,0,0,0,0|1,1,0]=2 1 B12R2.18 Cc1nc2ccccn2c1O 271570a_203496583355_100009816614 [0,0,0,0,0,0|3,0,0]=3 2 B12R2.18 Cc1nc2cccnn2c1O 271570a_203496583355_200010336598 [0,0,0,0,0,0|4,0,0]=4 3 B12R2.18 Cc1nn2cccnc2c1O 271570a_203496583355_100010221215 [0,0,0,0,0,0|4,0,0]=4 4 B12R2.18 Cc1oc2ccccc2c1O 271570a_203496583355_200010236113 [0,0,0,0,0,0|1,0,0]=1 5 B12R2.18 Cc1sc2ccccc2c1O 271570a_203496583355_100010002616 [0,0,0,0,0,0|1,1,0]=2 6 B12R2.18 Cn1c(nc2c1cccc2)O 271570a_203496583355_200000239431 [0,0,0,0,0,0|3,0,0]=3 7 B12R2.18 Cn1nc2ccccc2c1O 271570a_203496583355_100010163699 [0,0,0,0,0,0|3,0,0]=3 8 B11R2.1 Oc1c[nH]c2c1cccn2 271570a_203496583355_100011934613 [1,0,0,0,0,0|3,0,0]=4 9 B11R2.1 Oc1c[nH]c2c1ccnc2 271570a_203496583355_100010232032 [1,0,0,0,0,0|3,0,0]=4 10 B11R2.1 Oc1c[nH]c2c1cncc2 271570a_203496583355_100011934843 [1,0,0,0,0,0|3,0,0]=4 11 B11R2.1 Oc1c[nH]c2c1nccc2 271570a_203496583355_100009817151 [1,0,0,0,0,0|3,0,0]=4 12 B11R2.1 Oc1cnc2n1cccc2 271570a_203496583355_100011219245 [1,0,0,0,0,0|3,0,0]=4 13 B11R2.1 Oc1cnn2c1cccc2 271570a_203496583355_100009817726 [1,0,0,0,0,0|3,0,0]=4 14 B11R2.1 Oc1coc2c1cccc2 271570a_203496583355_100009812202 [1,0,0,0,0,0|1,0,0]=2 15 B11R2.1 Oc1coc2c1nccc2 271570a_203496583355_100009889148 [1,0,0,0,0,0|2,0,0]=3 16 B11R2.1 Oc1csc2c1cccc2 271570a_203496583355_100009813928 [1,0,0,0,0,0|1,1,0]=3 17 B11R2.1 Oc1csc2c1cccn2 271570a_203496583355_100009830249 [1,0,0,0,0,0|2,1,0]=4 18 B11R2.1 Oc1csc2c1ccnc2 271570a_203496583355_100009817111 [1,0,0,0,0,0|2,1,0]=4 19 B11R2.1 Oc1csc2c1cncc2 271570a_203496583355_100010247091 [1,0,0,0,0,0|2,1,0]=4 20 B11R2.1 Oc1csc2c1nccc2 271570a_203496583355_100010247092 [1,0,0,0,0,0|2,1,0]=4 21 B11R2.1 Oc1n[nH]c2c1cccc2 271570a_203496583355_100000050141 [1,0,0,0,0,0|3,0,0]=4 22 B11R2.10 CN1Cc2ccccc2C1 2230a_100000752595_200000210301 [1,0,0,0,0,0|2,0,1]=4 23 B11R2.10 CN1Cc2ccccc2C1 269982a_100000752595_200000210301 [1,0,0,0,0,0|2,0,1]=4 24 B11R2.10 CN1Cc2ccccc2C1 34a_100000752595_200000210301 [1,0,0,0,0,0|2,0,1]=4 25 B11R2.10 Oc1cc2ccccc2[nH]1 271570a_203496583355_100010232065 [1,0,0,0,0,0|2,0,0]=3 26 B11R2.10 Oc1cc2ccccc2o1 271570a_203496583355_100010159458 [1,0,0,0,0,0|1,0,0]=2 27 B11R2.10 Oc1cc2ccccc2s1 271570a_203496583355_100009816949 [1,0,0,0,0,0|1,1,0]=3 28 B11R2.10 Oc1cc2cccnc2[nH]1 271570a_203496583355_100010079843 [1,0,0,0,0,0|3,0,0]=4 29 B11R2.10 Oc1cn2ccccc2n1 271570a_203496583355_100009819586 [1,0,0,0,0,0|3,0,0]=4 30 B11R2.10 Oc1nc2ccccc2[nH]1 271570a_203496583355_100009814255 [1,0,0,0,0,0|3,0,0]=4 31 B11R2.10 Oc1nc2ccccc2s1 271570a_203496583355_100000751744 [1,0,0,0,0,0|2,1,0]=4 32 B11R2.10 [13CH3]N1Cc2ccccc2C1 2230a_100000752595_200025704644 [1,0,0,0,0,0|2,0,1]=4 33 B11R2.10 [13CH3]N1Cc2ccccc2C1 269982a_100000752595_200025704644 [1,0,0,0,0,0|2,0,1]=4 34 B11R2.10 [13CH3]N1Cc2ccccc2C1 34a_100000752595_200025704644 [1,0,0,0,0,0|2,0,1]=4 35 B13R2.45 C=Cc1nc2ccccc2n1C 271570a_100011290941_200000239431 [0,1,0,0,0,0|2,0,1]=4 36 B13R2.45 C=Cc1sc2ccccc2c1C 271570a_100011290941_200010198769 [0,1,0,0,0,0|0,1,1]=3 37 B13R2.45 CNc1nc2ccccc2n1C 27a_100102657272_200000239431 [0,1,0,0,0,0|2,0,0]=3 38 B13R2.45 COc1cc2ccccc2n1C 34a_100000066695_200000210301 [0,1,0,0,0,0|2,0,0]=3 39 B13R2.45 CSC1Cc2ccccc2C1=O 62a_100011218503_200000210301 [0,1,0,0,0,0|2,0,1]=4 40 B13R2.45 CSC1Cc2ccccc2C1=O 62a_200000210301_100011218503 [0,1,0,0,0,0|2,0,1]=4 41 B13R2.45 CSc1nc2ccccc2n1C 62a_200000210301_200000239431 [0,1,0,0,0,0|2,0,0]=3 42 B13R2.45 CSc1nc2ccccc2n1C 62a_200000239431_200000210301 [0,1,0,0,0,0|2,0,0]=3 43 B13R2.45 CSc1sc2ccccc2c1Br 62a_100015504031_200000210301 [0,1,0,0,0,0|1,1,0]=3 44 B13R2.45 CSc1sc2ccccc2c1Br 62a_200000210301_100015504031 [0,1,0,0,0,0|1,1,0]=3 45 B13R2.45 CSc1sc2ccccc2c1C 62a_200000210301_200010198769 [0,1,0,0,0,0|0,1,0]=2 46 B13R2.45 Cc1c(sc2c1cccc2)S[13CH3] 62a_200025704644_200010198769 [0,1,0,0,0,0|0,1,0]=2 47 B13R2.45 Cn1c(cc2c1cccc2)O[13CH3] 34a_100000066695_200025704644 [0,1,0,0,0,0|2,0,0]=3 48 B13R2.45 Cn1c(nc2c1cccc2)S[13CH3] 62a_200000239431_200025704644 [0,1,0,0,0,0|2,0,0]=3 49 B13R2.45 Cn1c(nc2c1cccc2)S[13CH3] 62a_200025704644_200000239431 [0,1,0,0,0,0|2,0,0]=3 50 B13R2.45 O=Cc1sc2ccccc2c1O 271570a_203496583355_100009816528 [0,1,0,0,0,0|1,1,1]=4 51 B13R2.45 [13CH3]SC1Cc2ccccc2C1=O 62a_100011218503_200025704644 [0,1,0,0,0,0|2,0,1]=4 52 B13R2.45 [13CH3]SC1Cc2ccccc2C1=O 62a_200025704644_100011218503 [0,1,0,0,0,0|2,0,1]=4 53 B13R2.45 [13CH3]Sc1sc2ccccc2c1Br 62a_100015504031_200025704644 [0,1,0,0,0,0|1,1,0]=3 54 B13R2.45 [13CH3]Sc1sc2ccccc2c1Br 62a_200025704644_100015504031 [0,1,0,0,0,0|1,1,0]=3 55 B13R2.135 C=Cc1c(nc2n1cccc2)C 271570a_100011290941_100009816614 [0,1,0,0,0,0|2,0,1]=4 56 B13R2.135 C=Cc1c(oc2c1cccc2)C 271570a_100011290941_200010236113 [0,1,0,0,0,0|0,0,1]=2 57 B13R2.135 C=Cc1c(sc2c1cccc2)C 271570a_100011290941_100010002616 [0,1,0,0,0,0|0,1,1]=3 58 B13R2.135 C=Cc1c2ccccc2nn1C 271570a_100011290941_100010163699 [0,1,0,0,0,0|2,0,1]=4 59 B13R2.135 CSC1C(=O)Nc2c1cccc2 62a_200000210301_200009996675 [0,1,0,0,0,0|2,0,1]=4 60 B13R2.135 CSc1c([nH]c2c1cccn2)C 62a_200000210301_100010174266 [0,1,0,0,0,0|2,0,0]=3 61 B13R2.135 CSc1c(nc2n1cccc2)C 62a_100000762796_200000210301 [0,1,0,0,0,0|2,0,0]=3 62 B13R2.135 CSc1c(nc2n1cccc2)C 62a_200000210301_100000762796 [0,1,0,0,0,0|2,0,0]=3 63 B13R2.135 CSc1c(nc2n1nccc2)C 62a_200000210301_200010336598 [0,1,0,0,0,0|3,0,0]=4 64 B13R2.135 CSc1c(nn2c1nccc2)C 62a_100010221215_200000210301 [0,1,0,0,0,0|3,0,0]=4 65 B13R2.135 CSc1c(nn2c1nccc2)C 62a_200000210301_100010221215 [0,1,0,0,0,0|3,0,0]=4 66 B13R2.135 CSc1c(oc2c1cccc2)C 62a_200000210301_200010236113 [0,1,0,0,0,0|0,0,0]=1 67 B13R2.135 CSc1c(sc2c1cccc2)C 62a_100010002616_200000210301 [0,1,0,0,0,0|0,1,0]=2 68 B13R2.135 CSc1c(sc2c1cccc2)C 62a_200000210301_100010002616 [0,1,0,0,0,0|0,1,0]=2 69 B13R2.135 CSc1c2ccccc2nn1C 62a_100010163699_200000210301 [0,1,0,0,0,0|2,0,0]=3 70 B13R2.135 CSc1c2ccccc2nn1C 62a_200000210301_100010163699 [0,1,0,0,0,0|2,0,0]=3 71 B13R2.135 Cc1[nH]c2ncccc2c1S[13CH3] 62a_200025704644_100010174266 [0,1,0,0,0,0|2,0,0]=3 72 B13R2.135 Cc1nc2ccccn2c1S[13CH3] 62a_100000762796_200025704644 [0,1,0,0,0,0|2,0,0]=3 73 B13R2.135 Cc1nc2ccccn2c1S[13CH3] 62a_200025704644_100000762796 [0,1,0,0,0,0|2,0,0]=3 74 B13R2.135 Cc1nc2cccnn2c1S[13CH3] 62a_200025704644_200010336598 [0,1,0,0,0,0|3,0,0]=4 75 B13R2.135 Cc1nn2cccnc2c1S[13CH3] 62a_100010221215_200025704644 [0,1,0,0,0,0|3,0,0]=4 76 B13R2.135 Cc1nn2cccnc2c1S[13CH3] 62a_200025704644_100010221215 [0,1,0,0,0,0|3,0,0]=4 77 B13R2.135 Cc1oc2ccccc2c1S[13CH3] 62a_200025704644_200010236113 [0,1,0,0,0,0|0,0,0]=1 78 B13R2.135 Cc1sc2ccccc2c1S[13CH3] 62a_100010002616_200025704644 [0,1,0,0,0,0|0,1,0]=2 79 B13R2.135 Cc1sc2ccccc2c1S[13CH3] 62a_200025704644_100010002616 [0,1,0,0,0,0|0,1,0]=2 80 B13R2.135 Cn1nc2ccccc2c1S[13CH3] 62a_100010163699_200025704644 [0,1,0,0,0,0|2,0,0]=3 81 B13R2.135 Cn1nc2ccccc2c1S[13CH3] 62a_200025704644_100010163699 [0,1,0,0,0,0|2,0,0]=3 82 B13R2.135 [13CH3]SC1C(=O)Nc2c1cccc2 62a_200025704644_200009996675 [0,1,0,0,0,0|2,0,1]=4 83 B13R2.3028 CC1C(=O)Nc2c1cc(cc2)O 271570a_203496583355_100010251565 [0,1,0,0,0,0|2,0,1]=4 84 B13R2.3028 CC1Cc2ccc(cc2C1=O)O 271570a_203496583355_100000694082 [0,1,0,0,0,0|2,0,1]=4 85 B13R2.3028 CN1C(=O)Cc2c1cc(cc2)O 271570a_203496583355_100010285470 [0,1,0,0,0,0|3,0,0]=4 86 B13R2.3028 CN1Cc2ccc(cc2C1=O)O 271570a_203496583355_100010125600 [0,1,0,0,0,0|3,0,0]=4 87 B13R2.3028 Cc1[nH]c2ccc(cc2c1C)O 271570a_203496583355_100012262263 [0,1,0,0,0,0|1,0,0]=2 88 B13R2.3028 Cc1c2cc(ccc2nn1C)O 271570a_203496583355_100009817121 [0,1,0,0,0,0|2,0,0]=3 89 B13R2.3028 Cc1nc2ccc(cc2n1C)O 271570a_203496583355_200010218347 [0,1,0,0,0,0|2,0,0]=3 90 B13R2.3028 Cc1nc2ccc(cn2c1N)O 271570a_203496583355_200011888355 [0,1,0,0,0,0|3,0,0]=4 91 B13R2.3028 Cn1c(=O)[nH]c2c1cc(cc2)O 271570a_203496583355_100010393459 [0,1,0,0,0,0|3,0,0]=4 92 B13R2.3028 O=C1Nc2ccc(cc2C1=O)O 271570a_203496583355_100000024671 [0,1,0,0,0,0|3,0,0]=4 93 B13R2.4825 CC1Cc2c(cccc2C1=O)O 271570a_203496583355_200012356775 [0,1,0,0,0,0|2,0,1]=4 94 B13R2.4825 CN1Cc2c(cccc2C1=O)O 271570a_203496583355_100009817108 [0,1,0,0,0,0|3,0,0]=4 95 B13R2.4825 Cc1c2cccc(c2nn1C)O 271570a_203496583355_100010255105 [0,1,0,0,0,0|2,0,0]=3 96 B13R2.4825 O=C1Nc2c(cccc2C1=O)O 271570a_203496583355_100000183292 [0,1,0,0,0,0|3,0,0]=4 97 B13R2.4856 CN1C(=O)Cc2c1c(ccc2)O 271570a_203496583355_100010870571 [0,1,0,0,0,0|3,0,0]=4 98 B13R2.4856 Cc1[nH]c2nccc(c2c1C)O 271570a_203496583355_206744597382 [0,1,0,0,0,0|2,0,0]=3 99 B13R2.4856 Cc1sc2ncnc(c2c1C)O 271570a_203496583355_100000183246 [0,1,0,0,0,0|2,1,0]=4 100 B13R2.4856 Cn1c(=O)[nH]c2c1c(ccc2)O 271570a_203496583355_100010994120 [0,1,0,0,0,0|3,0,0]=4 101 B13R2.4856 O=C1Nc2cccc(c2C1=O)O 271570a_203496583355_100000697038 [0,1,0,0,0,0|3,0,0]=4 102 B13R2.5190 CC1C(=O)Nc2c1ccc(c2)O 271570a_203496583355_100010201481 [0,1,0,0,0,0|2,0,1]=4 103 B13R2.5190 CC1Cc2cc(ccc2C1=O)O 271570a_203496583355_100010169280 [0,1,0,0,0,0|2,0,1]=4 104 B13R2.5190 CN1C(=O)Cc2c1ccc(c2)O 271570a_203496583355_100000183948 [0,1,0,0,0,0|3,0,0]=4 105 B13R2.5190 CN1Cc2cc(ccc2C1=O)O 271570a_203496583355_100010161043 [0,1,0,0,0,0|3,0,0]=4 106 B13R2.5190 Cc1c2ccc(cc2nn1C)O 271570a_203496583355_100010247116 [0,1,0,0,0,0|2,0,0]=3 107 B13R2.5190 Cc1nc2cc(ccc2n1C)O 271570a_203496583355_100000729442 [0,1,0,0,0,0|2,0,0]=3 108 B13R2.5190 Cn1c(=O)oc2c1ccc(c2)O 271570a_203496583355_100000753874 [0,1,0,0,0,0|2,0,0]=3 109 B13R2.5190 Cn1c(nc2c1ccc(c2)O)O 271570a_203496583355_100013992850 [0,1,0,0,0,0|3,0,0]=4 110 B13R2.5190 O=C1Nc2cc(ccc2C1=O)O 271570a_203496583355_100000239657 [0,1,0,0,0,0|3,0,0]=4 111 B11R1.36 C=C(C(=O)C)c1ccccc1 1458a_100000065200_200000210301 [0,0,1,0,0,0|0,0,2]=3 112 B11R1.36 C=C(C(=O)[13CH3])c1ccccc1 1458a_100000065200_200025704644 [0,0,1,0,0,0|0,0,2]=3 113 B11R1.36 CC(=C(C)c1ccccc1)C 271570a_200000049429_100000210277 [0,0,1,0,0,0|1,0,0]=2 114 B11R1.36 CC(=C(C)c1ccccn1)C 271570a_200000049429_100011216584 [0,0,1,0,0,0|2,0,0]=3 115 B11R1.36 CC(=C(C)c1cccnc1)C 271570a_200000049429_100000752921 [0,0,1,0,0,0|2,0,0]=3 116 B11R1.36 CC(=C(C)c1cccnn1)C 271570a_200000049429_100016991348 [0,0,1,0,0,0|3,0,0]=4 117 B11R1.36 CC(=C(C)c1ccncc1)C 271570a_200000049429_100000035832 [0,0,1,0,0,0|2,0,0]=3 118 B11R1.36 CC(=C(C)c1ccncn1)C 271570a_200000049429_100000703185 [0,0,1,0,0,0|3,0,0]=4 119 B11R1.36 CC(=C(C)c1ccnnc1)C 271570a_200000049429_100000732662 [0,0,1,0,0,0|3,0,0]=4 120 B11R1.36 CC(=C(C)c1cnccn1)C 271570a_200000049429_100000758340 [0,0,1,0,0,0|3,0,0]=4 121 B11R1.36 CC(=C(C)c1cncnc1)C 271570a_200000049429_100011206942 [0,0,1,0,0,0|3,0,0]=4 122 B11R1.36 CC(=C(C)c1ncccn1)C 271570a_200000049429_100000211032 [0,0,1,0,0,0|3,0,0]=4 123 B11R1.36 CC(=O)C(C)c1ccccc1 1458a_100000070787_100000230085 [0,0,1,0,0,0|0,0,2]=3 124 B11R1.36 CC(=O)C(C)c1ccccn1 1458a_100000722050_200000210301 [0,0,1,0,0,0|1,0,2]=4 125 B11R1.36 CC(=O)C(F)c1ccccc1 1458a_100000698975_200000210301 [0,0,1,0,0,0|1,0,2]=4 126 B11R1.36 CC(=O)N(C)c1ccccc1 11a_100000210012_100015343762 [0,0,1,0,0,0|1,0,1]=3 127 B11R1.36 CC(=O)N(C)c1ccccc1 1626a_100000210012_100015343762 [0,0,1,0,0,0|1,0,1]=3 128 B11R1.36 CC(=O)N(C)c1ccccc1 22a_100000210012_100000070787 [0,0,1,0,0,0|1,0,1]=3 129 B11R1.36 CC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_200000210301 [0,0,1,0,0,0|0,0,2]=3 130 B11R1.36 CC(=O)[C@H](O)c1ccccc1 1458a_100000684486_200000210301 [0,0,1,0,0,0|1,0,2]=4 131 B11R1.36 CC(C(=O)[13CH3])c1ccccn1 1458a_100000722050_200025704644 [0,0,1,0,0,0|1,0,2]=4 132 B11R1.36 CC(C)C(=O)c1ccccc1 1458a_100000185807_100000210206 [0,0,1,0,0,0|2,0,1]=4 133 B11R1.36 CC(C)N(C)c1ccccc1 2230a_100000210012_100000210206 [0,0,1,0,0,0|2,0,1]=4 134 B11R1.36 CC(C)N(C)c1ccccc1 2230a_100000210572_200000210301 [0,0,1,0,0,0|2,0,1]=4 135 B11R1.36 CC(C)N(C)c1ccccc1 269982a_100000210012_100000210206 [0,0,1,0,0,0|2,0,1]=4 136 B11R1.36 CC(C)N(C)c1ccccc1 269982a_100000210572_200000210301 [0,0,1,0,0,0|2,0,1]=4 137 B11R1.36 CC(C)N(C)c1ccccc1 34a_100000210012_100000210206 [0,0,1,0,0,0|2,0,1]=4 138 B11R1.36 CC(C)N(C)c1ccccc1 34a_100000210572_200000210301 [0,0,1,0,0,0|2,0,1]=4 139 B11R1.36 CC(C)N(C)c1ccccc1 7a_100000210572_200000210301 [0,0,1,0,0,0|2,0,1]=4 140 B11R1.36 CC(C)N([13CH3])c1ccccc1 2230a_100000210572_200025704644 [0,0,1,0,0,0|2,0,1]=4 141 B11R1.36 CC(C)N([13CH3])c1ccccc1 269982a_100000210572_200025704644 [0,0,1,0,0,0|2,0,1]=4 142 B11R1.36 CC(C)N([13CH3])c1ccccc1 34a_100000210572_200025704644 [0,0,1,0,0,0|2,0,1]=4 143 B11R1.36 CC(C)N([13CH3])c1ccccc1 7a_100000210572_200025704644 [0,0,1,0,0,0|2,0,1]=4 144 B11R1.36 CC(c1ccccc1)N(C)C 2230a_100000195388_200000210301 [0,0,1,0,0,0|2,0,1]=4 145 B11R1.36 CC(c1ccccc1)N(C)C 2230a_100102631434_100000230085 [0,0,1,0,0,0|2,0,1]=4 146 B11R1.36 CC(c1ccccc1)N(C)C 269982a_100000195388_200000210301 [0,0,1,0,0,0|2,0,1]=4 147 B11R1.36 CC(c1ccccc1)N(C)C 269982a_100102631434_100000230085 [0,0,1,0,0,0|2,0,1]=4 148 B11R1.36 CC(c1ccccc1)N(C)[13CH3] 2230a_100000195388_200025704644 [0,0,1,0,0,0|2,0,1]=4 149 B11R1.36 CC(c1ccccc1)N(C)[13CH3] 269982a_100000195388_200025704644 [0,0,1,0,0,0|2,0,1]=4 150 B11R1.36 CN(C)C(=O)c1ccccc1 11a_100102631434_100000185807 [0,0,1,0,0,0|3,0,0]=4 151 B11R1.36 CN(C)C(=O)c1ccccc1 1626a_100102631434_100000185807 [0,0,1,0,0,0|3,0,0]=4 152 B11R1.36 CN(C)C(=O)c1ccccc1 240690a_100102631434_100000185807 [0,0,1,0,0,0|3,0,0]=4 153 B11R1.36 CN(C)C(=O)c1ccccc1 527a_100102631434_100000185807 [0,0,1,0,0,0|3,0,0]=4 154 B11R1.36 C[C@H](C(=O)[13CH3])c1ccccc1 1458a_100000751047_200025704644 [0,0,1,0,0,0|0,0,2]=3 155 B11R1.36 [13CH3]C(=O)C(F)c1ccccc1 1458a_100000698975_200025704644 [0,0,1,0,0,0|1,0,2]=4 156 B11R1.36 [13CH3]C(=O)[C@H](O)c1ccccc1 1458a_100000684486_200025704644 [0,0,1,0,0,0|1,0,2]=4 157 B11R1.40 C#CC(C)Oc1ccccc1 34a_100000210340_200000035995 [0,0,1,0,0,0|0,0,3]=4 158 B11R1.40 C=CC(=O)Cc1ccccc1 1458a_100000185746_100015291786 [0,0,1,0,0,0|2,0,1]=4 159 B11R1.40 C=CC(=O)Nc1ccccc1 1626a_100000106764_100000185746 [0,0,1,0,0,0|2,0,1]=4 160 B11R1.40 C=CC(=O)Nc1ccccc1 22a_100000106764_100000185746 [0,0,1,0,0,0|2,0,1]=4 161 B11R1.40 C=CC(C)Sc1ccccc1 62a_100011215867_100000041952 [0,0,1,0,0,0|0,1,2]=4 162 B11R1.40 CC(C#N)Oc1ccccc1 7a_100000210340_100000703298 [0,0,1,0,0,0|1,0,2]=4 163 B11R1.40 CC(CO)Oc1ccccc1 34a_100000210340_100012180447 [0,0,1,0,0,0|1,0,2]=4 164 B11R1.40 CC(CO)Oc1ccccc1 7a_100000210340_100012180447 [0,0,1,0,0,0|1,0,2]=4 165 B11R1.40 CC(Cc1ccccc1)O[13CH3] 34a_100000748627_200025704644 [0,0,1,0,0,0|2,0,1]=4 166 B11R1.40 CC(Cc1ccccc1)O[13CH3] 7a_100000748627_200025704644 [0,0,1,0,0,0|2,0,1]=4 167 B11R1.40 CC(Cc1ccccc1)S[13CH3] 62a_200011218536_200025704644 [0,0,1,0,0,0|2,0,1]=4 168 B11R1.40 CC(Cc1ccccc1)S[13CH3] 62a_200025704644_200011218536 [0,0,1,0,0,0|2,0,1]=4 169 B11R1.40 CCC(=O)Cc1ccccc1 1458a_100000210414_100015291786 [0,0,1,0,0,0|2,0,1]=4 170 B11R1.40 CCC(=O)Nc1ccccc1 11a_100000106764_100000210414 [0,0,1,0,0,0|2,0,1]=4 171 B11R1.40 CCC(=O)Nc1ccccc1 1626a_100000106764_100000210414 [0,0,1,0,0,0|2,0,1]=4 172 B11R1.40 CCC(=O)Nc1ccccc1 22a_100000106764_100000210414 [0,0,1,0,0,0|2,0,1]=4 173 B11R1.40 CCC(=O)Nc1ccccc1 527a_100000106764_100000210414 [0,0,1,0,0,0|2,0,1]=4 174 B11R1.40 CCC(C)Nc1ccccc1 34a_100000106764_100011215416 [0,0,1,0,0,0|1,0,2]=4 175 B11R1.40 CCC(C)Oc1ccccc1 34a_100000210340_100011215416 [0,0,1,0,0,0|0,0,2]=3 176 B11R1.40 CCC(C)Oc1ccccc1 7a_100000210340_100000758301 [0,0,1,0,0,0|0,0,2]=3 177 B11R1.40 CCC(C)Oc1cccnc1 34a_100000210849_100011215416 [0,0,1,0,0,0|1,0,2]=4 178 B11R1.40 CCC(C)Oc1cccnc1 7a_100000210849_100000758301 [0,0,1,0,0,0|1,0,2]=4 179 B11R1.40 CCC(C)Oc1ccncc1 34a_100000212176_100011215416 [0,0,1,0,0,0|1,0,2]=4 180 B11R1.40 CCC(C)Sc1ccccc1 62a_100000719477_100000758301 [0,0,1,0,0,0|0,1,2]=4 181 B11R1.40 CCC(C)Sc1ccccc1 62a_100000758301_100000041952 [0,0,1,0,0,0|0,1,2]=4 182 B11R1.40 CCN(C)Cc1ccccc1 2230a_100000186898_100000210202 [0,0,1,0,0,0|2,0,1]=4 183 B11R1.40 CCN(C)Cc1ccccc1 2230a_100000186914_200000210301 [0,0,1,0,0,0|2,0,1]=4 184 B11R1.40 CCN(C)Cc1ccccc1 2230a_100000225621_100015291786 [0,0,1,0,0,0|2,0,1]=4 185 B11R1.40 CCN(C)Cc1ccccc1 269982a_100000186898_100000204670 [0,0,1,0,0,0|2,0,1]=4 186 B11R1.40 CCN(C)Cc1ccccc1 269982a_100000186914_200000210301 [0,0,1,0,0,0|2,0,1]=4 187 B11R1.40 CCN(C)Cc1ccccc1 269982a_100000225621_100000211182 [0,0,1,0,0,0|2,0,1]=4 188 B11R1.40 CCN([13CH3])Cc1ccccc1 2230a_100000186914_200025704644 [0,0,1,0,0,0|2,0,1]=4 189 B11R1.40 CCN([13CH3])Cc1ccccc1 269982a_100000186914_200025704644 [0,0,1,0,0,0|2,0,1]=4 190 B11R1.40 CNC(=O)Nc1ccccc1 2430a_100000106764_100102657272 [0,0,1,0,0,0|3,0,0]=4 191 B11R1.40 CNC(C)Cc1ccccc1 34a_100102657272_200011218536 [0,0,1,0,0,0|2,0,1]=4 192 B11R1.40 CNC(C)Cc1ccccc1 7a_106832991635_200011218536 [0,0,1,0,0,0|2,0,1]=4 193 B11R1.40 COC(C)Cc1ccccc1 34a_100000748627_200000210301 [0,0,1,0,0,0|2,0,1]=4 194 B11R1.40 COC(C)Cc1ccccc1 34a_100138415774_200011218536 [0,0,1,0,0,0|2,0,1]=4 195 B11R1.40 COC(C)Cc1ccccc1 7a_100000748627_200000210301 [0,0,1,0,0,0|2,0,1]=4 196 B11R1.40 COC(C)Sc1ccccc1 62a_100000719477_100009879195 [0,0,1,0,0,0|1,1,1]=4 197 B11R1.40 COC(C)Sc1ccccc1 62a_100009879195_100000041952 [0,0,1,0,0,0|1,1,1]=4 198 B11R1.40 CSC(C)Cc1ccccc1 62a_200000210301_200011218536 [0,0,1,0,0,0|2,0,1]=4 199 B11R1.40 CSC(C)Cc1ccccc1 62a_200011218536_200000210301 [0,0,1,0,0,0|2,0,1]=4 200 B11R1.41 C#Cc1ccccc1OCC 34a_200011470546_100000210202 [0,0,1,0,0,0|0,0,3]=4 201 B11R1.41 C#Cc1ccccc1OCC 7a_200011470546_100000210202 [0,0,1,0,0,0|0,0,3]=4 202 B11R1.41 C/C=C/c1ccccc1OC 34a_200000189419_200000210301 [0,0,1,0,0,0|2,0,0]=3 203 B11R1.41 C/C=C/c1ccccc1OC 7a_200000189419_200000210301 [0,0,1,0,0,0|2,0,0]=3 204 B11R1.41 C/C=C/c1ccccc1O[13CH3] 34a_200000189419_200025704644 [0,0,1,0,0,0|2,0,0]=3 205 B11R1.41 C/C=C/c1ccccc1O[13CH3] 7a_200000189419_200025704644 [0,0,1,0,0,0|2,0,0]=3 206 B11R1.41 C=CCc1ccccc1C=C 271570a_100011290941_100009828059 [0,0,1,0,0,0|1,0,2]=4 207 B11R1.41 C=CCc1ccccc1NC 2230a_200138433279_200000210301 [0,0,1,0,0,0|2,0,1]=4 208 B11R1.41 C=CCc1ccccc1NC 34a_200138433279_200000210301 [0,0,1,0,0,0|2,0,1]=4 209 B11R1.41 C=CCc1ccccc1N[13CH3] 2230a_200138433279_200025704644 [0,0,1,0,0,0|2,0,1]=4 210 B11R1.41 C=CCc1ccccc1N[13CH3] 34a_200138433279_200025704644 [0,0,1,0,0,0|2,0,1]=4 211 B11R1.41 C=CCc1ccccc1OC 34a_100000211836_200000210301 [0,0,1,0,0,0|2,0,1]=4 212 B11R1.41 C=CCc1ccccc1OC 7a_100000211836_200000210301 [0,0,1,0,0,0|2,0,1]=4 213 B11R1.41 C=CCc1ccccc1O[13CH3] 34a_100000211836_200025704644 [0,0,1,0,0,0|2,0,1]=4 214 B11R1.41 C=CCc1ccccc1O[13CH3] 7a_100000211836_200025704644 [0,0,1,0,0,0|2,0,1]=4 215 B11R1.41 C=CCc1ccccc1SC 62a_100009828059_200000210301 [0,0,1,0,0,0|2,0,1]=4 216 B11R1.41 C=CCc1ccccc1SC 62a_200000210301_100009828059 [0,0,1,0,0,0|2,0,1]=4 217 B11R1.41 C=CCc1ccccc1S[13CH3] 62a_100009828059_200025704644 [0,0,1,0,0,0|2,0,1]=4 218 B11R1.41 C=CCc1ccccc1S[13CH3] 62a_200025704644_100009828059 [0,0,1,0,0,0|2,0,1]=4 219 B11R1.41 C=Cc1ccccc1CNC 271570a_100011290941_100000184654 [0,0,1,0,0,0|2,0,1]=4 220 B11R1.41 C=Cc1ccccc1COC 271570a_100011290941_100011493684 [0,0,1,0,0,0|2,0,1]=4 221 B11R1.41 C=Cc1ccccc1COC 34a_200010883148_200000210301 [0,0,1,0,0,0|2,0,1]=4 222 B11R1.41 C=Cc1ccccc1COC 7a_200010883148_200000210301 [0,0,1,0,0,0|2,0,1]=4 223 B11R1.41 C=Cc1ccccc1CO[13CH3] 34a_200010883148_200025704644 [0,0,1,0,0,0|2,0,1]=4 224 B11R1.41 C=Cc1ccccc1CO[13CH3] 7a_200010883148_200025704644 [0,0,1,0,0,0|2,0,1]=4 225 B11R1.41 C=Cc1ccccc1CSC 271570a_100011290941_100000148299 [0,0,1,0,0,0|2,0,1]=4 226 B11R1.41 C=Cc1ccccc1NCC 271570a_100011290941_114873767003 [0,0,1,0,0,0|1,0,2]=4 227 B11R1.41 C=Cc1ccccc1NCC 34a_100012022501_100000210202 [0,0,1,0,0,0|1,0,2]=4 228 B11R1.41 C=Cc1ccccc1OCC 271570a_100011290941_100000230754 [0,0,1,0,0,0|0,0,2]=3 229 B11R1.41 C=Cc1ccccc1SCC 271570a_100011290941_100000230856 [0,0,1,0,0,0|0,1,2]=4 230 B11R1.41 C=Cc1ccccc1SCC 62a_100000210202_100011218376 [0,0,1,0,0,0|0,1,2]=4 231 B11R1.41 C=Cc1ccccc1SCC 62a_100011218376_100000210202 [0,0,1,0,0,0|0,1,2]=4 232 B11R1.41 C=Cc1cccnc1OCC 271570a_100011290941_100011465154 [0,0,1,0,0,0|1,0,2]=4 233 B11R1.41 C=Cc1ncccc1OCC 271570a_100011290941_100011597540 [0,0,1,0,0,0|1,0,2]=4 234 B11R1.41 CC=Cc1ccccc1C#N 271570a_100016259895_100000188569 [0,0,1,0,0,0|2,0,1]=4 235 B11R1.41 CC=Cc1ccccc1C=O 271570a_100016259895_100000211189 [0,0,1,0,0,0|2,0,0]=3 236 B11R1.41 CC=Cc1ccccc1CC 271570a_100016259895_100011215823 [0,0,1,0,0,0|1,0,1]=3 237 B11R1.41 CC=Cc1ccccc1CN 271570a_100016259895_100000689332 [0,0,1,0,0,0|2,0,1]=4 238 B11R1.41 CC=Cc1ccccc1CO 271570a_100016259895_100000187465 [0,0,1,0,0,0|2,0,1]=4 239 B11R1.41 CC=Cc1ccccc1NC 271570a_100016259895_100020606079 [0,0,1,0,0,0|2,0,0]=3 240 B11R1.41 CC=Cc1ccccc1NN 271570a_100016259895_100000241748 [0,0,1,0,0,0|3,0,0]=4 241 B11R1.41 CC=Cc1ccccc1OC 271570a_100016259895_100000174000 [0,0,1,0,0,0|2,0,0]=3 242 B11R1.41 CC=Cc1ccccc1SC 271570a_100016259895_100011217816 [0,0,1,0,0,0|2,0,0]=3 243 B11R1.41 CC=Cc1cccnc1C=O 271570a_100016259895_100011934733 [0,0,1,0,0,0|3,0,0]=4 244 B11R1.41 CC=Cc1cccnc1CC 271570a_100016259895_100009877225 [0,0,1,0,0,0|2,0,1]=4 245 B11R1.41 CC=Cc1cccnc1NC 271570a_100016259895_100000700899 [0,0,1,0,0,0|3,0,0]=4 246 B11R1.41 CC=Cc1cccnc1OC 271570a_100016259895_100000047025 [0,0,1,0,0,0|3,0,0]=4 247 B11R1.41 CC=Cc1cccnc1SC 271570a_100016259895_100011465278 [0,0,1,0,0,0|3,0,0]=4 248 B11R1.41 CC=Cc1ccncc1C=O 271570a_100016259895_100000050567 [0,0,1,0,0,0|3,0,0]=4 249 B11R1.41 CC=Cc1ccncc1CC 271570a_100016259895_100025704421 [0,0,1,0,0,0|2,0,1]=4 250 B11R1.41 CC=Cc1ccncc1OC 271570a_100016259895_100016988167 [0,0,1,0,0,0|3,0,0]=4 251 B11R1.41 CC=Cc1cnccc1C=O 271570a_100016259895_100011934409 [0,0,1,0,0,0|3,0,0]=4 252 B11R1.41 CC=Cc1cnccc1CC 271570a_100016259895_100009819861 [0,0,1,0,0,0|2,0,1]=4 253 B11R1.41 CC=Cc1cnccc1NC 271570a_100016259895_100010069531 [0,0,1,0,0,0|3,0,0]=4 254 B11R1.41 CC=Cc1cnccc1OC 271570a_100016259895_100011997281 [0,0,1,0,0,0|3,0,0]=4 255 B11R1.41 CC=Cc1ncccc1C=O 271570a_100016259895_100009816751 [0,0,1,0,0,0|3,0,0]=4 256 B11R1.41 CC=Cc1ncccc1NC 271570a_100016259895_200011806188 [0,0,1,0,0,0|3,0,0]=4 257 B11R1.41 CC=Cc1ncccc1OC 271570a_100016259895_100000690851 [0,0,1,0,0,0|3,0,0]=4 258 B11R1.41 CCCc1ccccc1NC 2230a_100000737634_200000210301 [0,0,1,0,0,0|2,0,1]=4 259 B11R1.41 CCCc1ccccc1NC 34a_100000737634_200000210301 [0,0,1,0,0,0|2,0,1]=4 260 B11R1.41 CCCc1ccccc1NC 7a_100000737634_200000210301 [0,0,1,0,0,0|2,0,1]=4 261 B11R1.41 CCCc1ccccc1N[13CH3] 2230a_100000737634_200025704644 [0,0,1,0,0,0|2,0,1]=4 262 B11R1.41 CCCc1ccccc1N[13CH3] 34a_100000737634_200025704644 [0,0,1,0,0,0|2,0,1]=4 263 B11R1.41 CCCc1ccccc1N[13CH3] 7a_100000737634_200025704644 [0,0,1,0,0,0|2,0,1]=4 264 B11R1.41 CCCc1ccccc1OC 34a_100011217252_200000210301 [0,0,1,0,0,0|2,0,1]=4 265 B11R1.41 CCCc1ccccc1OC 7a_100011217252_200000210301 [0,0,1,0,0,0|2,0,1]=4 266 B11R1.41 CCCc1ccccc1O[13CH3] 34a_100011217252_200025704644 [0,0,1,0,0,0|2,0,1]=4 267 B11R1.41 CCCc1ccccc1O[13CH3] 7a_100011217252_200025704644 [0,0,1,0,0,0|2,0,1]=4 268 B11R1.41 CCNc1ccccc1CC 2230a_100000212081_100000210202 [0,0,1,0,0,0|1,0,2]=4 269 B11R1.41 CCNc1ccccc1CC 34a_100000212081_100000210202 [0,0,1,0,0,0|1,0,2]=4 270 B11R1.41 CCNc1ccccc1CC 7a_100000212081_100000210202 [0,0,1,0,0,0|1,0,2]=4 271 B11R1.41 CCNc1ccccc1OC 34a_100000210025_100000210202 [0,0,1,0,0,0|2,0,1]=4 272 B11R1.41 CCNc1ccccc1OC 34a_103624766699_200000210301 [0,0,1,0,0,0|2,0,1]=4 273 B11R1.41 CCNc1ccccc1OC 7a_103624766699_200000210301 [0,0,1,0,0,0|2,0,1]=4 274 B11R1.41 CCNc1ccccc1O[13CH3] 34a_103624766699_200025704644 [0,0,1,0,0,0|2,0,1]=4 275 B11R1.41 CCNc1ccccc1O[13CH3] 7a_103624766699_200025704644 [0,0,1,0,0,0|2,0,1]=4 276 B11R1.41 CCNc1ccccc1SC 34a_100000211160_100000210202 [0,0,1,0,0,0|2,0,1]=4 277 B11R1.41 CCNc1ccccc1SC 62a_114873767003_200000210301 [0,0,1,0,0,0|2,0,1]=4 278 B11R1.41 CCNc1ccccc1SC 62a_200000210301_114873767003 [0,0,1,0,0,0|2,0,1]=4 279 B11R1.41 CCNc1ccccc1S[13CH3] 62a_114873767003_200025704644 [0,0,1,0,0,0|2,0,1]=4 280 B11R1.41 CCNc1ccccc1S[13CH3] 62a_200025704644_114873767003 [0,0,1,0,0,0|2,0,1]=4 281 B11R1.41 CCOc1ccccc1C#N 34a_100000211048_100000210202 [0,0,1,0,0,0|1,0,2]=4 282 B11R1.41 CCOc1ccccc1C#N 7a_100000211048_100000210202 [0,0,1,0,0,0|1,0,2]=4 283 B11R1.41 CCOc1ccccc1CC 34a_100000210936_100000210202 [0,0,1,0,0,0|0,0,2]=3 284 B11R1.41 CCOc1ccccc1CC 7a_100000210936_100000210202 [0,0,1,0,0,0|0,0,2]=3 285 B11R1.41 CCOc1ccccc1CN 34a_100000185550_100000210202 [0,0,1,0,0,0|1,0,2]=4 286 B11R1.41 CCOc1ccccc1CO 34a_100011216872_100000210202 [0,0,1,0,0,0|1,0,2]=4 287 B11R1.41 CCOc1ccccc1NC 34a_100000033821_100000210202 [0,0,1,0,0,0|1,0,1]=3 288 B11R1.41 CCOc1ccccc1NC 34a_100000211218_200000210301 [0,0,1,0,0,0|1,0,1]=3 289 B11R1.41 CCOc1ccccc1N[13CH3] 34a_100000211218_200025704644 [0,0,1,0,0,0|1,0,1]=3 290 B11R1.41 CCOc1ccccc1OC 34a_100000210385_100000210202 [0,0,1,0,0,0|1,0,1]=3 291 B11R1.41 CCOc1ccccc1OC 34a_100000211404_200000210301 [0,0,1,0,0,0|1,0,1]=3 292 B11R1.41 CCOc1ccccc1OC 7a_100000211404_200000210301 [0,0,1,0,0,0|1,0,1]=3 293 B11R1.41 CCOc1ccccc1O[13CH3] 34a_100000211404_200025704644 [0,0,1,0,0,0|1,0,1]=3 294 B11R1.41 CCOc1ccccc1O[13CH3] 7a_100000211404_200025704644 [0,0,1,0,0,0|1,0,1]=3 295 B11R1.41 CCOc1ccccc1SC 34a_100011216402_100000210202 [0,0,1,0,0,0|1,0,1]=3 296 B11R1.41 CCOc1ccccc1SC 62a_100000230754_200000210301 [0,0,1,0,0,0|1,0,1]=3 297 B11R1.41 CCOc1ccccc1SC 62a_200000210301_100000230754 [0,0,1,0,0,0|1,0,1]=3 298 B11R1.41 CCOc1ccccc1S[13CH3] 62a_100000230754_200025704644 [0,0,1,0,0,0|1,0,1]=3 299 B11R1.41 CCOc1ccccc1S[13CH3] 62a_200025704644_100000230754 [0,0,1,0,0,0|1,0,1]=3 300 B11R1.41 CCOc1cccnc1OC 34a_100000698397_100000210202 [0,0,1,0,0,0|2,0,1]=4 301 B11R1.41 CCOc1cccnc1OC 7a_100000698397_100000210202 [0,0,1,0,0,0|2,0,1]=4 302 B11R1.41 CCOc1cccnc1SC 62a_100011597540_200000210301 [0,0,1,0,0,0|2,0,1]=4 303 B11R1.41 CCOc1cccnc1SC 62a_200000210301_100011597540 [0,0,1,0,0,0|2,0,1]=4 304 B11R1.41 CCOc1cccnc1S[13CH3] 62a_100011597540_200025704644 [0,0,1,0,0,0|2,0,1]=4 305 B11R1.41 CCOc1cccnc1S[13CH3] 62a_200025704644_100011597540 [0,0,1,0,0,0|2,0,1]=4 306 B11R1.41 CCOc1cnccc1OC 34a_100000101186_100000210202 [0,0,1,0,0,0|2,0,1]=4 307 B11R1.41 CCOc1ncccc1OC 34a_100011998697_200000210301 [0,0,1,0,0,0|2,0,1]=4 308 B11R1.41 CCOc1ncccc1OC 34a_100025773188_100000210202 [0,0,1,0,0,0|2,0,1]=4 309 B11R1.41 CCOc1ncccc1O[13CH3] 34a_100011998697_200025704644 [0,0,1,0,0,0|2,0,1]=4 310 B11R1.41 CCOc1ncccc1SC 62a_100011465154_200000210301 [0,0,1,0,0,0|2,0,1]=4 311 B11R1.41 CCOc1ncccc1SC 62a_200000210301_100011465154 [0,0,1,0,0,0|2,0,1]=4 312 B11R1.41 CCOc1ncccc1S[13CH3] 62a_100011465154_200025704644 [0,0,1,0,0,0|2,0,1]=4 313 B11R1.41 CCOc1ncccc1S[13CH3] 62a_200025704644_100011465154 [0,0,1,0,0,0|2,0,1]=4 314 B11R1.41 CCSc1ccccc1C=O 62a_100000210073_100000210202 [0,0,1,0,0,0|1,1,1]=4 315 B11R1.41 CCSc1ccccc1C=O 62a_100000210202_100000210073 [0,0,1,0,0,0|1,1,1]=4 316 B11R1.41 CCSc1ccccc1CC 62a_100000210202_100011215823 [0,0,1,0,0,0|0,1,2]=4 317 B11R1.41 CCSc1ccccc1CC 62a_100011215823_100000210202 [0,0,1,0,0,0|0,1,2]=4 318 B11R1.41 CCSc1ccccc1NC 34a_100011223125_200000210301 [0,0,1,0,0,0|1,1,1]=4 319 B11R1.41 CCSc1ccccc1NC 62a_100000210202_100020606079 [0,0,1,0,0,0|1,1,1]=4 320 B11R1.41 CCSc1ccccc1NC 62a_100020606079_100000210202 [0,0,1,0,0,0|1,1,1]=4 321 B11R1.41 CCSc1ccccc1N[13CH3] 34a_100011223125_200025704644 [0,0,1,0,0,0|1,1,1]=4 322 B11R1.41 CCSc1ccccc1OC 62a_100000210202_100000210334 [0,0,1,0,0,0|1,1,1]=4 323 B11R1.41 CCSc1ccccc1OC 62a_100000210334_100000210202 [0,0,1,0,0,0|1,1,1]=4 324 B11R1.41 CCSc1ccccc1SC 62a_100000210202_100011217816 [0,0,1,0,0,0|1,1,1]=4 325 B11R1.41 CCSc1ccccc1SC 62a_100000230856_200000210301 [0,0,1,0,0,0|1,1,1]=4 326 B11R1.41 CCSc1ccccc1SC 62a_100011217816_100000210202 [0,0,1,0,0,0|1,1,1]=4 327 B11R1.41 CCSc1ccccc1SC 62a_200000210301_100000230856 [0,0,1,0,0,0|1,1,1]=4 328 B11R1.41 CCSc1ccccc1S[13CH3] 62a_100000230856_200025704644 [0,0,1,0,0,0|1,1,1]=4 329 B11R1.41 CCSc1ccccc1S[13CH3] 62a_200025704644_100000230856 [0,0,1,0,0,0|1,1,1]=4 330 B11R1.41 CCc1ccccc1CNC 207a_100102657272_100011219594 [0,0,1,0,0,0|2,0,1]=4 331 B11R1.41 CCc1ccccc1CNC 270004a_106832991635_100011219594 [0,0,1,0,0,0|2,0,1]=4 332 B11R1.41 CCc1ccccc1COC 34a_100011663872_200000210301 [0,0,1,0,0,0|2,0,1]=4 333 B11R1.41 CCc1ccccc1COC 7a_100011663872_200000210301 [0,0,1,0,0,0|2,0,1]=4 334 B11R1.41 CCc1ccccc1CO[13CH3] 34a_100011663872_200025704644 [0,0,1,0,0,0|2,0,1]=4 335 B11R1.41 CCc1ccccc1CO[13CH3] 7a_100011663872_200025704644 [0,0,1,0,0,0|2,0,1]=4 336 B11R1.41 CCc1ccccc1OCF 34a_100000210936_100015361967 [0,0,1,0,0,0|1,0,2]=4 337 B11R1.41 CCc1ccccc1OCF 7a_100000210936_100015361967 [0,0,1,0,0,0|1,0,2]=4 338 B11R1.41 CNCc1ccccc1C=O 2230a_106832991635_200009853537 [0,0,1,0,0,0|3,0,0]=4 339 B11R1.41 CNCc1ccccc1C=O 34a_100102657272_200009853537 [0,0,1,0,0,0|3,0,0]=4 340 B11R1.41 CNCc1ccccc1C=O 7a_106832991635_200009853537 [0,0,1,0,0,0|3,0,0]=4 341 B11R1.41 CNCc1ccccc1OC 207a_100102657272_100000169842 [0,0,1,0,0,0|3,0,0]=4 342 B11R1.41 CNCc1ccccc1OC 2230a_106832991635_100000210004 [0,0,1,0,0,0|3,0,0]=4 343 B11R1.41 CNCc1ccccc1OC 270004a_106832991635_100000169842 [0,0,1,0,0,0|3,0,0]=4 344 B11R1.41 CNCc1ccccc1OC 34a_100000188900_200000210301 [0,0,1,0,0,0|3,0,0]=4 345 B11R1.41 CNCc1ccccc1OC 34a_100015189988_200000210301 [0,0,1,0,0,0|3,0,0]=4 346 B11R1.41 CNCc1ccccc1OC 34a_100102657272_100000210004 [0,0,1,0,0,0|3,0,0]=4 347 B11R1.41 CNCc1ccccc1OC 7a_106832991635_100000210004 [0,0,1,0,0,0|3,0,0]=4 348 B11R1.41 CNCc1ccccc1O[13CH3] 34a_100015189988_200025704644 [0,0,1,0,0,0|3,0,0]=4 349 B11R1.41 CNCc1ccccc1SC 207a_100102657272_100011217347 [0,0,1,0,0,0|3,0,0]=4 350 B11R1.41 CNCc1ccccc1SC 2230a_106832991635_100000699184 [0,0,1,0,0,0|3,0,0]=4 351 B11R1.41 CNCc1ccccc1SC 270004a_106832991635_100011217347 [0,0,1,0,0,0|3,0,0]=4 352 B11R1.41 CNCc1ccccc1SC 34a_100102657272_100000699184 [0,0,1,0,0,0|3,0,0]=4 353 B11R1.41 CNCc1ccccc1SC 34a_102495365025_200000210301 [0,0,1,0,0,0|3,0,0]=4 354 B11R1.41 CNCc1ccccc1SC 62a_100000184654_200000210301 [0,0,1,0,0,0|3,0,0]=4 355 B11R1.41 CNCc1ccccc1SC 62a_200000210301_100000184654 [0,0,1,0,0,0|3,0,0]=4 356 B11R1.41 CNCc1ccccc1SC 7a_106832991635_100000699184 [0,0,1,0,0,0|3,0,0]=4 357 B11R1.41 CNCc1ccccc1S[13CH3] 62a_100000184654_200025704644 [0,0,1,0,0,0|3,0,0]=4 358 B11R1.41 CNCc1ccccc1S[13CH3] 62a_200025704644_100000184654 [0,0,1,0,0,0|3,0,0]=4 359 B11R1.41 CNc1ccccc1OCF 34a_100000033821_100015361967 [0,0,1,0,0,0|2,0,1]=4 360 B11R1.41 COCc1ccccc1C=O 34a_100138415774_200009853537 [0,0,1,0,0,0|3,0,0]=4 361 B11R1.41 COCc1ccccc1OC 34a_100000211301_200000210301 [0,0,1,0,0,0|3,0,0]=4 362 B11R1.41 COCc1ccccc1OC 34a_100011488565_200000210301 [0,0,1,0,0,0|3,0,0]=4 363 B11R1.41 COCc1ccccc1OC 34a_100138415774_100000210004 [0,0,1,0,0,0|3,0,0]=4 364 B11R1.41 COCc1ccccc1OC 7a_100011488565_200000210301 [0,0,1,0,0,0|3,0,0]=4 365 B11R1.41 COCc1ccccc1O[13CH3] 34a_100011488565_200025704644 [0,0,1,0,0,0|3,0,0]=4 366 B11R1.41 COCc1ccccc1O[13CH3] 7a_100011488565_200025704644 [0,0,1,0,0,0|3,0,0]=4 367 B11R1.41 COCc1ccccc1SC 34a_100000699167_200000210301 [0,0,1,0,0,0|3,0,0]=4 368 B11R1.41 COCc1ccccc1SC 34a_100138415774_100000699184 [0,0,1,0,0,0|3,0,0]=4 369 B11R1.41 COCc1ccccc1SC 62a_100011493684_200000210301 [0,0,1,0,0,0|3,0,0]=4 370 B11R1.41 COCc1ccccc1SC 62a_200000210301_100011493684 [0,0,1,0,0,0|3,0,0]=4 371 B11R1.41 COCc1ccccc1S[13CH3] 62a_100011493684_200025704644 [0,0,1,0,0,0|3,0,0]=4 372 B11R1.41 COCc1ccccc1S[13CH3] 62a_200025704644_100011493684 [0,0,1,0,0,0|3,0,0]=4 373 B11R1.41 COc1ccccc1CN[13CH3] 34a_100000188900_200025704644 [0,0,1,0,0,0|3,0,0]=4 374 B11R1.41 COc1ccccc1CO[13CH3] 34a_100000211301_200025704644 [0,0,1,0,0,0|3,0,0]=4 375 B11R1.41 COc1ccccc1CSC 62a_100000210004_200000210301 [0,0,1,0,0,0|3,0,0]=4 376 B11R1.41 COc1ccccc1CSC 62a_200000210301_100000210004 [0,0,1,0,0,0|3,0,0]=4 377 B11R1.41 COc1ccccc1CS[13CH3] 62a_100000210004_200025704644 [0,0,1,0,0,0|3,0,0]=4 378 B11R1.41 COc1ccccc1CS[13CH3] 62a_200025704644_100000210004 [0,0,1,0,0,0|3,0,0]=4 379 B11R1.41 COc1ccccc1OCF 34a_100000210385_100015361967 [0,0,1,0,0,0|2,0,1]=4 380 B11R1.41 CSCc1ccccc1C=O 62a_200000210301_200009853537 [0,0,1,0,0,0|3,0,0]=4 381 B11R1.41 CSCc1ccccc1C=O 62a_200009853537_200000210301 [0,0,1,0,0,0|3,0,0]=4 382 B11R1.41 CSCc1ccccc1SC 62a_100000148299_200000210301 [0,0,1,0,0,0|3,0,0]=4 383 B11R1.41 CSCc1ccccc1SC 62a_100000699184_200000210301 [0,0,1,0,0,0|3,0,0]=4 384 B11R1.41 CSCc1ccccc1SC 62a_200000210301_100000148299 [0,0,1,0,0,0|3,0,0]=4 385 B11R1.41 CSCc1ccccc1SC 62a_200000210301_100000699184 [0,0,1,0,0,0|3,0,0]=4 386 B11R1.41 CSCc1ccccc1S[13CH3] 62a_100000148299_200025704644 [0,0,1,0,0,0|3,0,0]=4 387 B11R1.41 CSCc1ccccc1S[13CH3] 62a_200025704644_100000148299 [0,0,1,0,0,0|3,0,0]=4 388 B11R1.41 CSc1ccccc1CN[13CH3] 34a_102495365025_200025704644 [0,0,1,0,0,0|3,0,0]=4 389 B11R1.41 CSc1ccccc1CO[13CH3] 34a_100000699167_200025704644 [0,0,1,0,0,0|3,0,0]=4 390 B11R1.41 CSc1ccccc1CS[13CH3] 62a_100000699184_200025704644 [0,0,1,0,0,0|3,0,0]=4 391 B11R1.41 CSc1ccccc1CS[13CH3] 62a_200025704644_100000699184 [0,0,1,0,0,0|3,0,0]=4 392 B11R1.41 CSc1ccccc1NC=O 62a_200000210301_200020615051 [0,0,1,0,0,0|3,0,0]=4 393 B11R1.41 CSc1ccccc1NC=O 62a_200020615051_200000210301 [0,0,1,0,0,0|3,0,0]=4 394 B11R1.41 CSc1ccccc1OCF 34a_100011216402_100015361967 [0,0,1,0,0,0|2,0,1]=4 395 B11R1.41 [13CH3]SCc1ccccc1C=O 62a_200009853537_200025704644 [0,0,1,0,0,0|3,0,0]=4 396 B11R1.41 [13CH3]SCc1ccccc1C=O 62a_200025704644_200009853537 [0,0,1,0,0,0|3,0,0]=4 397 B11R1.41 [13CH3]Sc1ccccc1NC=O 62a_200020615051_200025704644 [0,0,1,0,0,0|3,0,0]=4 398 B11R1.41 [13CH3]Sc1ccccc1NC=O 62a_200025704644_200020615051 [0,0,1,0,0,0|3,0,0]=4 399 B11R1.212 C=CCSc1csc(c1C)C 62a_100000210623_100009820295 [0,0,1,0,0,0|1,1,1]=4 400 B11R1.212 C=CCSc1csc(c1C)C 62a_100009820295_100000210623 [0,0,1,0,0,0|1,1,1]=4 401 B11R1.222 CC(C#N)c1ccccc1O 271570a_203496583355_200010232107 [0,0,1,0,0,0|1,0,2]=4 402 B11R1.222 CC(N[13CH3])c1ccccc1Br 2230a_100000181357_200025704644 [0,0,1,0,0,0|2,0,1]=4 403 B11R1.222 CC(N[13CH3])c1ccccc1Cl 2230a_100000174978_200025704644 [0,0,1,0,0,0|2,0,1]=4 404 B11R1.222 CC(N[13CH3])c1ccccc1Cl 34a_100000174978_200025704644 [0,0,1,0,0,0|2,0,1]=4 405 B11R1.222 CC(N[13CH3])c1ccccc1F 2230a_100000181408_200025704644 [0,0,1,0,0,0|2,0,1]=4 406 B11R1.222 CC(N[13CH3])c1ccccc1F 34a_100000181408_200025704644 [0,0,1,0,0,0|2,0,1]=4 407 B11R1.222 CC(N[13CH3])c1cccnc1O 2230a_100159269580_200025704644 [0,0,1,0,0,0|2,0,1]=4 408 B11R1.222 CC(O[13CH3])c1ccccc1Br 34a_100000702211_200025704644 [0,0,1,0,0,0|2,0,1]=4 409 B11R1.222 CC(O[13CH3])c1ccccc1Br 7a_100000702211_200025704644 [0,0,1,0,0,0|2,0,1]=4 410 B11R1.222 CC(O[13CH3])c1ccccc1Cl 34a_100000740796_200025704644 [0,0,1,0,0,0|2,0,1]=4 411 B11R1.222 CC(O[13CH3])c1ccccc1Cl 7a_100000740796_200025704644 [0,0,1,0,0,0|2,0,1]=4 412 B11R1.222 CC(O[13CH3])c1ccccc1F 34a_100000697922_200025704644 [0,0,1,0,0,0|2,0,1]=4 413 B11R1.222 CC(O[13CH3])c1ccccc1F 7a_100000697922_200025704644 [0,0,1,0,0,0|2,0,1]=4 414 B11R1.222 CC(O[13CH3])c1ccccc1N 7a_100011405641_200025704644 [0,0,1,0,0,0|2,0,1]=4 415 B11R1.222 CC(S[13CH3])c1ccccc1Cl 62a_100000181259_200025704644 [0,0,1,0,0,0|2,0,1]=4 416 B11R1.222 CC(S[13CH3])c1ccccc1Cl 62a_200025704644_100000181259 [0,0,1,0,0,0|2,0,1]=4 417 B11R1.222 CC(S[13CH3])c1ccccc1F 62a_200000741388_200025704644 [0,0,1,0,0,0|2,0,1]=4 418 B11R1.222 CC(S[13CH3])c1ccccc1F 62a_200025704644_200000741388 [0,0,1,0,0,0|2,0,1]=4 419 B11R1.222 CCC(=O)c1ccccc1Br 1458a_100000188424_100000210202 [0,0,1,0,0,0|2,0,1]=4 420 B11R1.222 CCC(=O)c1ccccc1C 1458a_100000212026_100000210202 [0,0,1,0,0,0|2,0,1]=4 421 B11R1.222 CCC(=O)c1ccccc1Cl 1458a_100000185844_100000210202 [0,0,1,0,0,0|2,0,1]=4 422 B11R1.222 CCC(=O)c1ccccc1F 1458a_100000188656_100000210202 [0,0,1,0,0,0|2,0,1]=4 423 B11R1.222 CCC(=O)c1ccccc1I 1458a_100000187884_100000210202 [0,0,1,0,0,0|2,0,1]=4 424 B11R1.222 CCC(=O)c1ccccc1O 1458a_100015234032_100000210202 [0,0,1,0,0,0|1,0,1]=3 425 B11R1.222 CCC(=O)c1ccccc1[O-] 1458a_100009911694_100000210202 [0,0,1,0,0,0|1,0,2]=4 426 B11R1.222 CCN(C)c1ccccc1Br 2230a_100020606079_100000210202 [0,0,1,0,0,0|2,0,1]=4 427 B11R1.222 CCN(C)c1ccccc1Br 2230a_114873767003_200000210301 [0,0,1,0,0,0|2,0,1]=4 428 B11R1.222 CCN(C)c1ccccc1Br 269982a_100020606079_100000204670 [0,0,1,0,0,0|2,0,1]=4 429 B11R1.222 CCN(C)c1ccccc1Br 269982a_114873767003_200000210301 [0,0,1,0,0,0|2,0,1]=4 430 B11R1.222 CCN(C)c1ccccc1Br 34a_100020606079_100000210202 [0,0,1,0,0,0|2,0,1]=4 431 B11R1.222 CCN(C)c1ccccc1Br 34a_114873767003_200000210301 [0,0,1,0,0,0|2,0,1]=4 432 B11R1.222 CCN(C)c1ccccc1C 2230a_100000211084_200000210301 [0,0,1,0,0,0|2,0,1]=4 433 B11R1.222 CCN(C)c1ccccc1C 2230a_100000219699_100000210202 [0,0,1,0,0,0|2,0,1]=4 434 B11R1.222 CCN(C)c1ccccc1C 269982a_100000211084_200000210301 [0,0,1,0,0,0|2,0,1]=4 435 B11R1.222 CCN(C)c1ccccc1C 269982a_100000219699_100000204670 [0,0,1,0,0,0|2,0,1]=4 436 B11R1.222 CCN(C)c1ccccc1C 34a_100000211084_200000210301 [0,0,1,0,0,0|2,0,1]=4 437 B11R1.222 CCN(C)c1ccccc1C 34a_100000219699_100000210202 [0,0,1,0,0,0|2,0,1]=4 438 B11R1.222 CCN(C)c1ccccc1Cl 2230a_100000219374_100000210202 [0,0,1,0,0,0|2,0,1]=4 439 B11R1.222 CCN(C)c1ccccc1Cl 269982a_100000219374_100000204670 [0,0,1,0,0,0|2,0,1]=4 440 B11R1.222 CCN(C)c1ccccc1Cl 34a_100000219374_100000210202 [0,0,1,0,0,0|2,0,1]=4 441 B11R1.222 CCN(C)c1ccccc1F 2230a_100000220357_100000210202 [0,0,1,0,0,0|2,0,1]=4 442 B11R1.222 CCN(C)c1ccccc1F 2230a_100000220365_200000210301 [0,0,1,0,0,0|2,0,1]=4 443 B11R1.222 CCN(C)c1ccccc1F 269982a_100000220357_100000204670 [0,0,1,0,0,0|2,0,1]=4 444 B11R1.222 CCN(C)c1ccccc1F 269982a_100000220365_200000210301 [0,0,1,0,0,0|2,0,1]=4 445 B11R1.222 CCN(C)c1ccccc1F 34a_100000220357_100000210202 [0,0,1,0,0,0|2,0,1]=4 446 B11R1.222 CCN(C)c1ccccc1F 34a_100000220365_200000210301 [0,0,1,0,0,0|2,0,1]=4 447 B11R1.222 CCN(C)c1ccccc1F 38a_100000220357_100000204670 [0,0,1,0,0,0|2,0,1]=4 448 B11R1.222 CCN(C)c1ccccc1O 269982a_100000033821_100000204670 [0,0,1,0,0,0|1,0,1]=3 449 B11R1.222 CCN(C)c1ccccc1O 269982a_103624766699_200000210301 [0,0,1,0,0,0|1,0,1]=3 450 B11R1.222 CCN([13CH3])c1ccccc1Br 2230a_114873767003_200025704644 [0,0,1,0,0,0|2,0,1]=4 451 B11R1.222 CCN([13CH3])c1ccccc1Br 269982a_114873767003_200025704644 [0,0,1,0,0,0|2,0,1]=4 452 B11R1.222 CCN([13CH3])c1ccccc1Br 34a_114873767003_200025704644 [0,0,1,0,0,0|2,0,1]=4 453 B11R1.222 CCN([13CH3])c1ccccc1C 2230a_100000211084_200025704644 [0,0,1,0,0,0|2,0,1]=4 454 B11R1.222 CCN([13CH3])c1ccccc1C 269982a_100000211084_200025704644 [0,0,1,0,0,0|2,0,1]=4 455 B11R1.222 CCN([13CH3])c1ccccc1C 34a_100000211084_200025704644 [0,0,1,0,0,0|2,0,1]=4 456 B11R1.222 CCN([13CH3])c1ccccc1F 2230a_100000220365_200025704644 [0,0,1,0,0,0|2,0,1]=4 457 B11R1.222 CCN([13CH3])c1ccccc1F 269982a_100000220365_200025704644 [0,0,1,0,0,0|2,0,1]=4 458 B11R1.222 CCN([13CH3])c1ccccc1F 34a_100000220365_200025704644 [0,0,1,0,0,0|2,0,1]=4 459 B11R1.222 CCN([13CH3])c1ccccc1O 269982a_103624766699_200025704644 [0,0,1,0,0,0|1,0,1]=3 460 B11R1.222 CN(CF)c1ccccc1O 269982a_100000033821_100015361967 [0,0,1,0,0,0|2,0,1]=4 461 B11R1.222 CNC(=O)c1ccccc1Br 11a_106832991635_100000188424 [0,0,1,0,0,0|3,0,0]=4 462 B11R1.222 CNC(=O)c1ccccc1Br 1626a_100102657272_100000188424 [0,0,1,0,0,0|3,0,0]=4 463 B11R1.222 CNC(=O)c1ccccc1Br 240690a_100102657272_100000188424 [0,0,1,0,0,0|3,0,0]=4 464 B11R1.222 CNC(=O)c1ccccc1Br 527a_100102657272_100000188424 [0,0,1,0,0,0|3,0,0]=4 465 B11R1.222 CNC(=O)c1ccccc1C 11a_106832991635_100000212026 [0,0,1,0,0,0|3,0,0]=4 466 B11R1.222 CNC(=O)c1ccccc1C 1626a_100102657272_100000212026 [0,0,1,0,0,0|3,0,0]=4 467 B11R1.222 CNC(=O)c1ccccc1C 240690a_100102657272_100000212026 [0,0,1,0,0,0|3,0,0]=4 468 B11R1.222 CNC(=O)c1ccccc1C 527a_100102657272_100000212026 [0,0,1,0,0,0|3,0,0]=4 469 B11R1.222 CNC(=O)c1ccccc1Cl 11a_106832991635_100000185844 [0,0,1,0,0,0|3,0,0]=4 470 B11R1.222 CNC(=O)c1ccccc1Cl 1626a_100102657272_100000185844 [0,0,1,0,0,0|3,0,0]=4 471 B11R1.222 CNC(=O)c1ccccc1Cl 240690a_100102657272_100000185844 [0,0,1,0,0,0|3,0,0]=4 472 B11R1.222 CNC(=O)c1ccccc1Cl 527a_100102657272_100000185844 [0,0,1,0,0,0|3,0,0]=4 473 B11R1.222 CNC(=O)c1ccccc1F 11a_106832991635_100000188656 [0,0,1,0,0,0|3,0,0]=4 474 B11R1.222 CNC(=O)c1ccccc1F 1626a_100102657272_100000188656 [0,0,1,0,0,0|3,0,0]=4 475 B11R1.222 CNC(=O)c1ccccc1F 240690a_100102657272_100000188656 [0,0,1,0,0,0|3,0,0]=4 476 B11R1.222 CNC(=O)c1ccccc1F 527a_100102657272_100000188656 [0,0,1,0,0,0|3,0,0]=4 477 B11R1.222 CNC(=O)c1ccccc1I 11a_106832991635_100000187884 [0,0,1,0,0,0|3,0,0]=4 478 B11R1.222 CNC(=O)c1ccccc1I 1626a_100102657272_100000187884 [0,0,1,0,0,0|3,0,0]=4 479 B11R1.222 CNC(=O)c1ccccc1I 240690a_100102657272_100000187884 [0,0,1,0,0,0|3,0,0]=4 480 B11R1.222 CNC(=O)c1ccccc1I 527a_100102657272_100000187884 [0,0,1,0,0,0|3,0,0]=4 481 B11R1.222 CNC(=O)c1ccccc1O 240690a_100102657272_100015234032 [0,0,1,0,0,0|2,0,0]=3 482 B11R1.222 CNC(=O)c1ccccc1O 271570a_203496583355_100000155073 [0,0,1,0,0,0|2,0,0]=3 483 B11R1.222 CNC(=O)c1ccccc1[O-] 1626a_100102657272_100009911694 [0,0,1,0,0,0|2,0,1]=4 484 B11R1.222 CNC(=O)c1ccccc1[O-] 240690a_100102657272_100009911694 [0,0,1,0,0,0|2,0,1]=4 485 B11R1.222 CNC(=O)c1ccccc1[O-] 527a_100102657272_100009911694 [0,0,1,0,0,0|2,0,1]=4 486 B11R1.222 CNC(=O)c1cccnc1O 271570a_203496583355_100000159833 [0,0,1,0,0,0|3,0,0]=4 487 B11R1.222 CNC(C)c1ccccc1Br 2230a_100000181357_200000210301 [0,0,1,0,0,0|2,0,1]=4 488 B11R1.222 CNC(C)c1ccccc1Br 269862a_106832991636_100000187085 [0,0,1,0,0,0|2,0,1]=4 489 B11R1.222 CNC(C)c1ccccc1C 2230a_100000181355_200000210301 [0,0,1,0,0,0|2,0,1]=4 490 B11R1.222 CNC(C)c1ccccc1C 269862a_106832991636_100000211656 [0,0,1,0,0,0|2,0,1]=4 491 B11R1.222 CNC(C)c1ccccc1C 34a_100000181355_200000210301 [0,0,1,0,0,0|2,0,1]=4 492 B11R1.222 CNC(C)c1ccccc1Cl 2230a_100000174978_200000210301 [0,0,1,0,0,0|2,0,1]=4 493 B11R1.222 CNC(C)c1ccccc1Cl 2230a_106832991635_100000181259 [0,0,1,0,0,0|2,0,1]=4 494 B11R1.222 CNC(C)c1ccccc1Cl 269862a_106832991636_100000210134 [0,0,1,0,0,0|2,0,1]=4 495 B11R1.222 CNC(C)c1ccccc1Cl 34a_100000174978_200000210301 [0,0,1,0,0,0|2,0,1]=4 496 B11R1.222 CNC(C)c1ccccc1Cl 7a_106832991635_100000181259 [0,0,1,0,0,0|2,0,1]=4 497 B11R1.222 CNC(C)c1ccccc1F 2230a_100000181408_200000210301 [0,0,1,0,0,0|2,0,1]=4 498 B11R1.222 CNC(C)c1ccccc1F 2230a_106832991635_200000741388 [0,0,1,0,0,0|2,0,1]=4 499 B11R1.222 CNC(C)c1ccccc1F 269862a_106832991636_100000210632 [0,0,1,0,0,0|2,0,1]=4 500 B11R1.222 CNC(C)c1ccccc1F 34a_100000181408_200000210301 [0,0,1,0,0,0|2,0,1]=4 501 B11R1.222 CNC(C)c1ccccc1F 34a_100102657272_200000741388 [0,0,1,0,0,0|2,0,1]=4 502 B11R1.222 CNC(C)c1ccccc1F 7a_106832991635_200000741388 [0,0,1,0,0,0|2,0,1]=4 503 B11R1.222 CNC(C)c1ccccc1I 269862a_106832991636_100000751169 [0,0,1,0,0,0|2,0,1]=4 504 B11R1.222 CNC(C)c1ccccc1O 271570a_203496583355_100000692418 [0,0,1,0,0,0|1,0,1]=3 505 B11R1.222 CNC(C)c1cccnc1O 2230a_100159269580_200000210301 [0,0,1,0,0,0|2,0,1]=4 506 B11R1.222 CN[C@H](C)c1ccccc1O 2230a_100025703389_200000210301 [0,0,1,0,0,0|1,0,1]=3 507 B11R1.222 COC(=O)c1ccccc1O 271570a_203496583355_100000148710 [0,0,1,0,0,0|2,0,0]=3 508 B11R1.222 COC(=O)c1cccnc1O 271570a_203496583355_100000150852 [0,0,1,0,0,0|3,0,0]=4 509 B11R1.222 COC(=O)c1ccncc1O 271570a_203496583355_100010008606 [0,0,1,0,0,0|3,0,0]=4 510 B11R1.222 COC(=O)c1cnccc1O 271570a_203496583355_100020629055 [0,0,1,0,0,0|3,0,0]=4 511 B11R1.222 COC(=O)c1ncccc1O 271570a_203496583355_100011935214 [0,0,1,0,0,0|3,0,0]=4 512 B11R1.222 COC(C)c1ccccc1Br 34a_100000702211_200000210301 [0,0,1,0,0,0|2,0,1]=4 513 B11R1.222 COC(C)c1ccccc1Br 7a_100000702211_200000210301 [0,0,1,0,0,0|2,0,1]=4 514 B11R1.222 COC(C)c1ccccc1C 34a_100000742021_200000210301 [0,0,1,0,0,0|2,0,1]=4 515 B11R1.222 COC(C)c1ccccc1C 7a_100000742021_200000210301 [0,0,1,0,0,0|2,0,1]=4 516 B11R1.222 COC(C)c1ccccc1Cl 34a_100000740796_200000210301 [0,0,1,0,0,0|2,0,1]=4 517 B11R1.222 COC(C)c1ccccc1Cl 7a_100000740796_200000210301 [0,0,1,0,0,0|2,0,1]=4 518 B11R1.222 COC(C)c1ccccc1F 34a_100000697922_200000210301 [0,0,1,0,0,0|2,0,1]=4 519 B11R1.222 COC(C)c1ccccc1F 34a_100138415774_200000741388 [0,0,1,0,0,0|2,0,1]=4 520 B11R1.222 COC(C)c1ccccc1F 7a_100000697922_200000210301 [0,0,1,0,0,0|2,0,1]=4 521 B11R1.222 COC(C)c1ccccc1N 7a_100011405641_200000210301 [0,0,1,0,0,0|2,0,1]=4 522 B11R1.222 CO[C@@H](C)c1ncccc1O 271570a_203496583355_106256553109 [0,0,1,0,0,0|2,0,1]=4 523 B11R1.222 CSC(C)c1ccccc1Cl 62a_100000181259_200000210301 [0,0,1,0,0,0|2,0,1]=4 524 B11R1.222 CSC(C)c1ccccc1Cl 62a_200000210301_100000181259 [0,0,1,0,0,0|2,0,1]=4 525 B11R1.222 CSC(C)c1ccccc1F 62a_200000210301_200000741388 [0,0,1,0,0,0|2,0,1]=4 526 B11R1.222 CSC(C)c1ccccc1F 62a_200000741388_200000210301 [0,0,1,0,0,0|2,0,1]=4 527 B11R1.222 C[C@@H](N[13CH3])c1ccccc1O 2230a_100025703389_200025704644 [0,0,1,0,0,0|1,0,1]=3 528 B11R1.222 Cc1ccccc1C(C)N[13CH3] 2230a_100000181355_200025704644 [0,0,1,0,0,0|2,0,1]=4 529 B11R1.222 Cc1ccccc1C(C)N[13CH3] 34a_100000181355_200025704644 [0,0,1,0,0,0|2,0,1]=4 530 B11R1.222 Cc1ccccc1C(C)O[13CH3] 34a_100000742021_200025704644 [0,0,1,0,0,0|2,0,1]=4 531 B11R1.222 Cc1ccccc1C(C)O[13CH3] 7a_100000742021_200025704644 [0,0,1,0,0,0|2,0,1]=4 532 B11R1.222 NNC(=O)c1ccccc1O 271570a_203496583355_100000190081 [0,0,1,0,0,0|3,0,0]=4 533 B11R1.222 O=C(CF)c1ccccc1O 1458a_100015234032_100015361967 [0,0,1,0,0,0|2,0,1]=4 534 B11R1.231 C=CCSc1cc(c(s1)C)C 62a_100000210623_100009850898 [0,0,1,0,0,0|1,1,1]=4 535 B11R1.231 C=CCSc1cc(c(s1)C)C 62a_100009850898_100000210623 [0,0,1,0,0,0|1,1,1]=4 536 B11R1.976 C=Cc1nn(c(c1C=O)C)C 271570a_100011290941_100016123337 [0,0,1,0,0,0|3,0,0]=4 537 B13R2.32 CC1c2ccccc2CCN1C 2230a_100011660714_200000210301 [0,0,0,0,0,1|2,0,1]=4 538 B13R2.32 CC1c2ccccc2CCN1C 269982a_100011660714_200000210301 [0,0,0,0,0,1|2,0,1]=4 539 B13R2.32 CC1c2ccccc2CCN1C 34a_100011660714_200000210301 [0,0,0,0,0,1|2,0,1]=4 540 B13R2.32 CC1c2ccccc2CCN1[13CH3] 2230a_100011660714_200025704644 [0,0,0,0,0,1|2,0,1]=4 541 B13R2.32 CC1c2ccccc2CCN1[13CH3] 269982a_100011660714_200025704644 [0,0,0,0,0,1|2,0,1]=4 542 B13R2.32 CC1c2ccccc2CCN1[13CH3] 34a_100011660714_200025704644 [0,0,0,0,0,1|2,0,1]=4 543 B13R2.32 Cc1c(ccc2c1cccc2)O 271570a_203496583355_100010221197 [0,0,0,0,0,1|2,0,0]=3 544 B13R2.32 Cc1c(ccc2c1cccn2)O 271570a_203496583355_200010137439 [0,0,0,0,0,1|3,0,0]=4 545 B13R2.32 Cc1c(ccc2c1nccc2)O 271570a_203496583355_100010214467 [0,0,0,0,0,1|3,0,0]=4 546 B13R2.32 Cc1ccc2ccccc2c1O 271570a_203496583355_100000759710 [0,0,0,0,0,1|2,0,0]=3 547 B13R2.32 Cc1ccc2cnccc2c1O 271570a_203496583355_100010204589 [0,0,0,0,0,1|3,0,0]=4 548 B13R2.32 Cc1cnc2ccccc2c1O 271570a_203496583355_100000092342 [0,0,0,0,0,1|2,0,0]=3 549 B13R2.32 Nc1c(ccc2c1cccc2)O 271570a_203496583355_100009817101 [0,0,0,0,0,1|3,0,0]=4 550 B13R2.32 Nc1c(cnc2c1cccc2)O 271570a_203496583355_100009995562 [0,0,0,0,0,1|3,0,0]=4 551 B13R2.32 Nc1c(ncc2c1cccc2)O 271570a_203496583355_100000087573 [0,0,0,0,0,1|3,0,0]=4 552 B13R2.32 Nc1ccc2ccccc2c1O 271570a_203496583355_100000705303 [0,0,0,0,0,1|3,0,0]=4 553 B13R2.32 Nc1cnc2ccccc2c1O 271570a_203496583355_100012243074 [0,0,0,0,0,1|3,0,0]=4 554 B13R2.32 Nc1ncc2ccccc2c1O 271570a_203496583355_100009994184 [0,0,0,0,0,1|3,0,0]=4 555 B13R2.32 O=c1c(c[nH]c2c1cccc2)O 271570a_203496583355_100012339567 [0,0,0,0,0,1|3,0,0]=4 556 B13R2.32 O=c1c(coc2c1cccc2)O 271570a_203496583355_100009813851 [0,0,0,0,0,1|2,0,0]=3 557 B13R2.32 Oc1c(ccc2c1cccc2)Br 271570a_203496583355_100010090040 [0,0,0,0,0,1|3,0,0]=4 558 B13R2.32 Oc1c(cnc2c1cccc2)Br 271570a_203496583355_200010179490 [0,0,0,0,0,1|3,0,0]=4 559 B13R2.32 Oc1ccc2ccccc2c1Br 271570a_203496583355_200010089984 [0,0,0,0,0,1|3,0,0]=4 560 B13R2.32 Oc1ccc2ccccc2c1F 271570a_203496583355_100009832041 [0,0,0,0,0,1|3,0,0]=4 561 B13R2.32 Oc1ccc2ccccc2c1O 271570a_203496583355_100000183829 [0,0,0,0,0,1|3,0,0]=4 562 B13R2.32 Oc1ccc2ccccc2c1O 271570a_203496583355_100009996032 [0,0,0,0,0,1|3,0,0]=4 563 B13R2.32 Oc1cnc2ccccc2c1Cl 271570a_203496583355_100012352519 [0,0,0,0,0,1|3,0,0]=4 564 B13R2.32 Oc1nnc2ccccc2c1O 271570a_203496583355_100000688347 [0,0,0,0,0,1|3,0,0]=4 565 B13R2.328 CC1CN(Cc2c1cccc2)C 2230a_100015190047_200000210301 [0,0,0,0,0,1|2,0,1]=4 566 B13R2.328 CC1CN(Cc2c1cccc2)C 269982a_100015190047_200000210301 [0,0,0,0,0,1|2,0,1]=4 567 B13R2.328 CC1CN(Cc2c1cccc2)C 34a_100015190047_200000210301 [0,0,0,0,0,1|2,0,1]=4 568 B13R2.328 CC1CN(Cc2c1cccc2)[13CH3] 2230a_100015190047_200025704644 [0,0,0,0,0,1|2,0,1]=4 569 B13R2.328 CC1CN(Cc2c1cccc2)[13CH3] 269982a_100015190047_200025704644 [0,0,0,0,0,1|2,0,1]=4 570 B13R2.328 CC1CN(Cc2c1cccc2)[13CH3] 34a_100015190047_200025704644 [0,0,0,0,0,1|2,0,1]=4 571 B13R2.328 Cc1cc(c2ccccc2n1)O 271570a_203496583355_100000764982 [0,0,0,0,0,1|2,0,0]=3 572 B13R2.328 Cc1cc(c2cccnc2n1)O 271570a_203496583355_100009885123 [0,0,0,0,0,1|3,0,0]=4 573 B13R2.328 Cc1cc(c2ncccc2c1)O 271570a_203496583355_100010113427 [0,0,0,0,0,1|3,0,0]=4 574 B13R2.328 Cc1cc(cc2c1nccc2)O 271570a_203496583355_100010130319 [0,0,0,0,0,1|3,0,0]=4 575 B13R2.328 Cc1cc(nc2c1cccc2)O 271570a_203496583355_100012354972 [0,0,0,0,0,1|2,0,0]=3 576 B13R2.328 Cc1cc2ccccc2c(n1)O 271570a_203496583355_100000698243 [0,0,0,0,0,1|2,0,0]=3 577 B13R2.328 Cc1nc(c2ccccc2n1)O 271570a_203496583355_100000230251 [0,0,0,0,0,1|2,0,0]=3 578 B13R2.328 Cc1nc(nc2c1cccc2)O 271570a_203496583355_100000046098 [0,0,0,0,0,1|2,0,0]=3 579 B13R2.328 Nc1cc(c2ccccc2c1)O 271570a_203496583355_100010089974 [0,0,0,0,0,1|3,0,0]=4 580 B13R2.328 Nc1cc(cc2c1cccc2)O 271570a_203496583355_100010171453 [0,0,0,0,0,1|3,0,0]=4 581 B13R2.328 Nc1cc(nc2c1cccc2)O 271570a_203496583355_100010197925 [0,0,0,0,0,1|3,0,0]=4 582 B13R2.328 Nc1cc2ccccc2c(n1)O 271570a_203496583355_100009814382 [0,0,0,0,0,1|3,0,0]=4 583 B13R2.328 Nc1nc(cc2c1cccc2)O 271570a_203496583355_100009957331 [0,0,0,0,0,1|3,0,0]=4 584 B13R2.328 O=c1cc([nH]c2c1cccc2)O 271570a_203496583355_100000090176 [0,0,0,0,0,1|3,0,0]=4 585 B13R2.328 O=c1cc(c2ccccc2[nH]1)O 271570a_203496583355_100000075698 [0,0,0,0,0,1|3,0,0]=4 586 B13R2.328 Oc1cc(c2ccccc2c1)O 271570a_203496583355_100010001680 [0,0,0,0,0,1|3,0,0]=4 587 B13R2.328 Oc1cc(c2ccccc2c1)O 271570a_203496583355_100010089979 [0,0,0,0,0,1|3,0,0]=4 588 B13R2.369 Cc1cc2ccccc2nc1O 271570a_203496583355_100000751756 [0,0,0,0,0,1|2,0,0]=3 589 B13R2.369 Cc1cc2cccnc2nc1O 271570a_203496583355_100009877248 [0,0,0,0,0,1|3,0,0]=4 590 B13R2.369 Cc1cc2ncccc2cc1O 271570a_203496583355_100010137429 [0,0,0,0,0,1|3,0,0]=4 591 B13R2.369 Cc1nc2ccccc2nc1O 271570a_203496583355_100000185947 [0,0,0,0,0,1|2,0,0]=3 592 B13R2.369 Nc1cc2ccccc2cc1O 271570a_203496583355_100009991566 [0,0,0,0,0,1|3,0,0]=4 593 B13R2.369 Nc1nc2ccccc2cc1O 271570a_203496583355_100010135404 [0,0,0,0,0,1|3,0,0]=4 594 B13R2.369 Nc1nc2ccccc2nc1O 271570a_203496583355_100000009970 [0,0,0,0,0,1|3,0,0]=4 595 B13R2.369 O=c1oc2ccccc2cc1O 271570a_203496583355_200000187772 [0,0,0,0,0,1|2,0,0]=3 596 B13R2.369 Oc1cc2ccccc2cc1Br 271570a_203496583355_200010169544 [0,0,0,0,0,1|3,0,0]=4 597 B13R2.369 Oc1cc2ccccc2cc1Cl 271570a_203496583355_100010152806 [0,0,0,0,0,1|3,0,0]=4 598 B13R2.369 Oc1cc2ccccc2cc1O 271570a_203496583355_100009817189 [0,0,0,0,0,1|3,0,0]=4 599 B13R2.369 Oc1cc2ccccc2nc1Cl 271570a_203496583355_100010220712 [0,0,0,0,0,1|3,0,0]=4 600 B13R2.369 Oc1cc2ccccc2nc1F 271570a_203496583355_100011158909 [0,0,0,0,0,1|3,0,0]=4 601 B13R2.369 Oc1cc2ccccc2nc1O 271570a_203496583355_200000100762 [0,0,0,0,0,1|3,0,0]=4 602 B13R2.369 Oc1cc2ccccc2nc1O 271570a_203496583355_200009820883 [0,0,0,0,0,1|3,0,0]=4 603 B13R2.369 Oc1nc2ccccc2cc1Br 271570a_203496583355_100010072790 [0,0,0,0,0,1|3,0,0]=4 604 B10R1.15 CC(S[13CH3])c1ccccc1 62a_100000230085_200025704644 [1,0,1,0,0,0|1,0,1]=4 605 B10R1.15 CC(S[13CH3])c1ccccc1 62a_200025704644_100000230085 [1,0,1,0,0,0|1,0,1]=4 606 B10R1.15 CCC(=O)c1ccccc1 1458a_100000185807_100000210202 [1,0,1,0,0,0|1,0,1]=4 607 B10R1.15 CCN(C)c1ccccc1 2230a_100000210012_100000210202 [1,0,1,0,0,0|1,0,1]=4 608 B10R1.15 CCN(C)c1ccccc1 2230a_100000210013_200000210301 [1,0,1,0,0,0|1,0,1]=4 609 B10R1.15 CCN(C)c1ccccc1 269982a_100000210012_100000204670 [1,0,1,0,0,0|1,0,1]=4 610 B10R1.15 CCN(C)c1ccccc1 269982a_100000210013_200000210301 [1,0,1,0,0,0|1,0,1]=4 611 B10R1.15 CCN(C)c1ccccc1 34a_100000210012_100000210202 [1,0,1,0,0,0|1,0,1]=4 612 B10R1.15 CCN(C)c1ccccc1 34a_100000210013_200000210301 [1,0,1,0,0,0|1,0,1]=4 613 B10R1.15 CCN([13CH3])c1ccccc1 2230a_100000210013_200025704644 [1,0,1,0,0,0|1,0,1]=4 614 B10R1.15 CCN([13CH3])c1ccccc1 269982a_100000210013_200025704644 [1,0,1,0,0,0|1,0,1]=4 615 B10R1.15 CCN([13CH3])c1ccccc1 34a_100000210013_200025704644 [1,0,1,0,0,0|1,0,1]=4 616 B10R1.15 CNC(=O)c1ccccc1 11a_106832991635_100000185807 [1,0,1,0,0,0|2,0,0]=4 617 B10R1.15 CNC(=O)c1ccccc1 1626a_100102657272_100000185807 [1,0,1,0,0,0|2,0,0]=4 618 B10R1.15 CNC(=O)c1ccccc1 240690a_100102657272_100000185807 [1,0,1,0,0,0|2,0,0]=4 619 B10R1.15 CNC(=O)c1ccccc1 527a_100102657272_100000185807 [1,0,1,0,0,0|2,0,0]=4 620 B10R1.15 CNC(C)c1ccccc1 2230a_106832991635_100000230085 [1,0,1,0,0,0|1,0,1]=4 621 B10R1.15 CNC(C)c1ccccc1 269862a_106832991636_100000185851 [1,0,1,0,0,0|1,0,1]=4 622 B10R1.15 CNC(C)c1ccccc1 34a_100102657272_100000211855 [1,0,1,0,0,0|1,0,1]=4 623 B10R1.15 CNC(C)c1ccccc1 7a_106832991635_100000230085 [1,0,1,0,0,0|1,0,1]=4 624 B10R1.15 CN[C@H](C)c1ccccc1 2230a_100000751104_200000210301 [1,0,1,0,0,0|1,0,1]=4 625 B10R1.15 COC(C)c1ccccc1 34a_100138415774_100000211855 [1,0,1,0,0,0|1,0,1]=4 626 B10R1.15 CO[C@H](C)c1ccccc1 34a_100000761318_200000210301 [1,0,1,0,0,0|1,0,1]=4 627 B10R1.15 CO[C@H](C)c1ccccc1 7a_100000761318_200000210301 [1,0,1,0,0,0|1,0,1]=4 628 B10R1.15 CSC(C)c1ccccc1 62a_100000230085_200000210301 [1,0,1,0,0,0|1,0,1]=4 629 B10R1.15 CSC(C)c1ccccc1 62a_200000210301_100000230085 [1,0,1,0,0,0|1,0,1]=4 630 B10R1.15 C[C@@H](N[13CH3])c1ccccc1 2230a_100000751104_200025704644 [1,0,1,0,0,0|1,0,1]=4 631 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 34a_100000761318_200025704644 [1,0,1,0,0,0|1,0,1]=4 632 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 7a_100000761318_200025704644 [1,0,1,0,0,0|1,0,1]=4 633 B10R1.18 CC(=Cc1ccccc1)C 271570a_100102525489_100000210277 [1,0,1,0,0,0|1,0,0]=3 634 B10R1.18 CC(=Cc1ccccn1)C 271570a_100102525489_100011216584 [1,0,1,0,0,0|2,0,0]=4 635 B10R1.18 CC(=Cc1cccnc1)C 271570a_100102525489_100000752921 [1,0,1,0,0,0|2,0,0]=4 636 B10R1.18 CC(=Cc1ccncc1)C 271570a_100102525489_100000035832 [1,0,1,0,0,0|2,0,0]=4 637 B10R1.18 CC(=O)Cc1ccccc1 1458a_100000070787_100015291786 [1,0,1,0,0,0|0,0,2]=4 638 B10R1.18 CC(=O)Nc1ccccc1 11a_100000106764_100015343762 [1,0,1,0,0,0|1,0,1]=4 639 B10R1.18 CC(=O)Nc1ccccc1 1626a_100000106764_100015343762 [1,0,1,0,0,0|1,0,1]=4 640 B10R1.18 CC(=O)Nc1ccccc1 22a_100000106764_100000070787 [1,0,1,0,0,0|1,0,1]=4 641 B10R1.18 CC(=O)Nc1ccccc1 527a_100000106764_100103153847 [1,0,1,0,0,0|1,0,1]=4 642 B10R1.18 CC(C)Nc1ccccc1 34a_100000106764_100000210206 [1,0,1,0,0,0|1,0,1]=4 643 B10R1.18 CC(C)Oc1ccccc1 34a_100000210340_100000210206 [1,0,1,0,0,0|0,0,1]=3 644 B10R1.18 CC(C)Oc1ccccc1 7a_100000210340_100000210206 [1,0,1,0,0,0|0,0,1]=3 645 B10R1.18 CC(C)Oc1cccnc1 34a_100000210849_100000210206 [1,0,1,0,0,0|1,0,1]=4 646 B10R1.18 CC(C)Oc1cccnc1 7a_100000210849_100000210206 [1,0,1,0,0,0|1,0,1]=4 647 B10R1.18 CC(C)Oc1ccncc1 34a_100000212176_100000210206 [1,0,1,0,0,0|1,0,1]=4 648 B10R1.18 CC(C)Sc1ccccc1 62a_100000210206_100000041952 [1,0,1,0,0,0|0,1,1]=4 649 B10R1.18 CC(C)Sc1ccccc1 62a_100000719477_100000210206 [1,0,1,0,0,0|0,1,1]=4 650 B10R1.18 CN(C)Cc1ccccc1 2230a_100000186898_200000210301 [1,0,1,0,0,0|2,0,0]=4 651 B10R1.18 CN(C)Cc1ccccc1 2230a_100102631434_100015291786 [1,0,1,0,0,0|2,0,0]=4 652 B10R1.18 CN(C)Cc1ccccc1 269982a_100000186898_200000210301 [1,0,1,0,0,0|2,0,0]=4 653 B10R1.18 CN(C)Cc1ccccc1 269982a_100102631434_100000211182 [1,0,1,0,0,0|2,0,0]=4 654 B10R1.18 CN(C)Cc1ccccc1 270004a_100102631434_100015611070 [1,0,1,0,0,0|2,0,0]=4 655 B10R1.18 CN([13CH3])Cc1ccccc1 2230a_100000186898_200025704644 [1,0,1,0,0,0|2,0,0]=4 656 B10R1.18 CN([13CH3])Cc1ccccc1 269982a_100000186898_200025704644 [1,0,1,0,0,0|2,0,0]=4 657 B10R1.17 C=CCOc1ccccc1 34a_100000210340_100015514636 [1,0,1,0,0,0|0,0,2]=4 658 B10R1.17 C=CCOc1ccccc1 7a_100000210340_100015514636 [1,0,1,0,0,0|0,0,2]=4 659 B10R1.17 CC=NNc1ccccc1 4a_100015195140_200000210099 [1,0,1,0,0,0|2,0,0]=4 660 B10R1.17 CCCOc1ccccc1 34a_100000210340_100000210303 [1,0,1,0,0,0|0,0,2]=4 661 B10R1.17 CCCOc1ccccc1 7a_100000210340_100000210303 [1,0,1,0,0,0|0,0,2]=4 662 B10R1.17 CSCOc1ccccc1 34a_100000210340_100011218213 [1,0,1,0,0,0|1,0,1]=4 663 B10R1.17 O=CCOc1ccccc1 34a_100000210340_200009817547 [1,0,1,0,0,0|1,0,1]=4 664 B10R1.17 O=CCOc1ccccc1 7a_100000210340_200015260668 [1,0,1,0,0,0|1,0,1]=4 665 B10R1.4 C=C=Cc1ccccc1O 271570a_100015277604_100000739446 [1,0,1,0,0,0|0,0,2]=4 666 B10R1.4 C=CCc1ccccc1O 271570a_203496583355_100009828059 [1,0,1,0,0,0|0,0,2]=4 667 B10R1.4 CC=Cc1c[nH]ccc1=O 271570a_100016259895_100009998708 [1,0,1,0,0,0|1,0,1]=4 668 B10R1.4 CC=Cc1c[nH]ccc1=S 271570a_100016259895_200012280681 [1,0,1,0,0,0|1,1,0]=4 669 B10R1.4 CC=Cc1ccc[nH]c1=O 271570a_100016259895_100000050042 [1,0,1,0,0,0|1,0,1]=4 670 B10R1.4 CC=Cc1cccc[n+]1C 271570a_100016259895_100000212160 [1,0,1,0,0,0|2,0,0]=4 671 B10R1.4 CC=Cc1cccc[n+]1[O-] 271570a_100016259895_200000042595 [1,0,1,0,0,0|1,0,1]=4 672 B10R1.4 CC=Cc1ccccc1Br 271570a_100016259895_100000695589 [1,0,1,0,0,0|1,0,0]=3 673 B10R1.4 CC=Cc1ccccc1C 271570a_100016259895_100000210755 [1,0,1,0,0,0|1,0,0]=3 674 B10R1.4 CC=Cc1ccccc1Cl 271570a_100016259895_100000764095 [1,0,1,0,0,0|1,0,0]=3 675 B10R1.4 CC=Cc1ccccc1F 271570a_100016259895_100011215700 [1,0,1,0,0,0|1,0,0]=3 676 B10R1.4 CC=Cc1ccccc1N 271570a_100016259895_100000210017 [1,0,1,0,0,0|1,0,0]=3 677 B10R1.4 CC=Cc1ccccc1O 271570a_100016259895_100000739446 [1,0,1,0,0,0|0,0,0]=2 678 B10R1.4 CC=Cc1cccnc1Br 271570a_100016259895_100010202626 [1,0,1,0,0,0|2,0,0]=4 679 B10R1.4 CC=Cc1cccnc1C 271570a_100016259895_100000751574 [1,0,1,0,0,0|2,0,0]=4 680 B10R1.4 CC=Cc1cccnc1Cl 271570a_100016259895_100000036424 [1,0,1,0,0,0|2,0,0]=4 681 B10R1.4 CC=Cc1cccnc1F 271570a_100016259895_100009816115 [1,0,1,0,0,0|2,0,0]=4 682 B10R1.4 CC=Cc1cccnc1N 271570a_100016259895_100000045569 [1,0,1,0,0,0|2,0,0]=4 683 B10R1.4 CC=Cc1ccncc1Br 271570a_100016259895_100000726257 [1,0,1,0,0,0|2,0,0]=4 684 B10R1.4 CC=Cc1ccncc1C 271570a_100016259895_100015191297 [1,0,1,0,0,0|2,0,0]=4 685 B10R1.4 CC=Cc1ccncc1Cl 271570a_100016259895_100000708259 [1,0,1,0,0,0|2,0,0]=4 686 B10R1.4 CC=Cc1ccncc1F 271570a_100016259895_100000047030 [1,0,1,0,0,0|2,0,0]=4 687 B10R1.4 CC=Cc1ccncc1N 271570a_100016259895_100009815883 [1,0,1,0,0,0|2,0,0]=4 688 B10R1.4 CC=Cc1ccncc1O 271570a_100016259895_100009817591 [1,0,1,0,0,0|1,0,0]=3 689 B10R1.4 CC=Cc1cnccc1Br 271570a_100016259895_100010138639 [1,0,1,0,0,0|2,0,0]=4 690 B10R1.4 CC=Cc1cnccc1C 271570a_100016259895_100000761580 [1,0,1,0,0,0|2,0,0]=4 691 B10R1.4 CC=Cc1cnccc1Cl 271570a_100016259895_100009995489 [1,0,1,0,0,0|2,0,0]=4 692 B10R1.4 CC=Cc1cnccc1F 271570a_100016259895_100009820683 [1,0,1,0,0,0|2,0,0]=4 693 B10R1.4 CC=Cc1cnccc1N 271570a_100016259895_100000047001 [1,0,1,0,0,0|2,0,0]=4 694 B10R1.4 CC=Cc1cncnc1O 271570a_100016259895_100000751107 [1,0,1,0,0,0|2,0,0]=4 695 B10R1.4 CC=Cc1ncccc1Br 271570a_100016259895_100000696092 [1,0,1,0,0,0|2,0,0]=4 696 B10R1.4 CC=Cc1ncccc1C 271570a_100016259895_100000751373 [1,0,1,0,0,0|2,0,0]=4 697 B10R1.4 CC=Cc1ncccc1Cl 271570a_100016259895_100011356963 [1,0,1,0,0,0|2,0,0]=4 698 B10R1.4 CC=Cc1ncccc1F 271570a_100016259895_100000685392 [1,0,1,0,0,0|2,0,0]=4 699 B10R1.4 CC=Cc1ncccc1N 271570a_100016259895_100000688686 [1,0,1,0,0,0|2,0,0]=4 700 B10R1.4 CC=Cc1ncccc1O 271570a_100016259895_100000034122 [1,0,1,0,0,0|1,0,0]=3 701 B10R1.4 CCNc1ccccc1C 34a_100015192222_100000210202 [1,0,1,0,0,0|1,0,1]=4 702 B10R1.4 CCNc1ccccc1O 271570a_203496583355_114873767003 [1,0,1,0,0,0|1,0,1]=4 703 B10R1.4 CCNc1ccccc1O 34a_100000185747_100000210202 [1,0,1,0,0,0|1,0,1]=4 704 B10R1.4 CCOc1ccccc1Br 34a_100000181306_100000210202 [1,0,1,0,0,0|1,0,1]=4 705 B10R1.4 CCOc1ccccc1Br 7a_100000181306_100000210202 [1,0,1,0,0,0|1,0,1]=4 706 B10R1.4 CCOc1ccccc1C 34a_100000210338_100000210202 [1,0,1,0,0,0|0,0,1]=3 707 B10R1.4 CCOc1ccccc1C 7a_100000210338_100000210202 [1,0,1,0,0,0|0,0,1]=3 708 B10R1.4 CCOc1ccccc1Cl 34a_100000210172_100000210202 [1,0,1,0,0,0|1,0,1]=4 709 B10R1.4 CCOc1ccccc1Cl 7a_100000210172_100000210202 [1,0,1,0,0,0|1,0,1]=4 710 B10R1.4 CCOc1ccccc1F 34a_100000210171_100000210202 [1,0,1,0,0,0|1,0,1]=4 711 B10R1.4 CCOc1ccccc1F 7a_100000210171_100000210202 [1,0,1,0,0,0|1,0,1]=4 712 B10R1.4 CCOc1ccccc1I 34a_100000739446_100000210202 [1,0,1,0,0,0|1,0,1]=4 713 B10R1.4 CCOc1ccccc1I 7a_100000739446_100000210202 [1,0,1,0,0,0|1,0,1]=4 714 B10R1.4 CCOc1ccccc1N 34a_100000185747_100000210202 [1,0,1,0,0,0|1,0,1]=4 715 B10R1.4 CCOc1ccccc1N 7a_100000185747_100000210202 [1,0,1,0,0,0|1,0,1]=4 716 B10R1.4 CCOc1ccccc1O 271570a_203496583355_100000230754 [1,0,1,0,0,0|1,0,1]=4 717 B10R1.4 CCOc1cccnc1C 34a_100000745507_100000210202 [1,0,1,0,0,0|1,0,1]=4 718 B10R1.4 CCOc1cccnc1C 7a_100000745507_100000210202 [1,0,1,0,0,0|1,0,1]=4 719 B10R1.4 CCOc1ccncc1C 34a_100000694293_100000210202 [1,0,1,0,0,0|1,0,1]=4 720 B10R1.4 CCOc1cnccc1C 34a_100011997053_100000210202 [1,0,1,0,0,0|1,0,1]=4 721 B10R1.4 CCOc1cnccc1C 7a_100011997053_100000210202 [1,0,1,0,0,0|1,0,1]=4 722 B10R1.4 CCSc1ccccc1C 62a_100000210202_100000210755 [1,0,1,0,0,0|0,1,1]=4 723 B10R1.4 CCSc1ccccc1C 62a_100000210755_100000210202 [1,0,1,0,0,0|0,1,1]=4 724 B10R1.4 CCSc1ccccc1O 271570a_203496583355_100000230856 [1,0,1,0,0,0|1,0,1]=4 725 B10R1.4 CCSc1ccccc1O 62a_100000210202_100000739446 [1,0,1,0,0,0|1,0,1]=4 726 B10R1.4 CCSc1ccccc1O 62a_100000739446_100000210202 [1,0,1,0,0,0|1,0,1]=4 727 B10R1.4 CNCc1ccccc1C 207a_100102657272_100000211143 [1,0,1,0,0,0|2,0,0]=4 728 B10R1.4 CNCc1ccccc1C 2230a_106832991635_100000211839 [1,0,1,0,0,0|2,0,0]=4 729 B10R1.4 CNCc1ccccc1C 270004a_106832991635_100000211143 [1,0,1,0,0,0|2,0,0]=4 730 B10R1.4 CNCc1ccccc1C 34a_100000174972_200000210301 [1,0,1,0,0,0|2,0,0]=4 731 B10R1.4 CNCc1ccccc1C 34a_100102657272_100000211839 [1,0,1,0,0,0|2,0,0]=4 732 B10R1.4 CNCc1ccccc1C 7a_106832991635_100000211839 [1,0,1,0,0,0|2,0,0]=4 733 B10R1.4 CNCc1ccccc1O 271570a_203496583355_100000184654 [1,0,1,0,0,0|1,0,1]=4 734 B10R1.4 CNCc1ccccc1O 34a_100000185550_200000210301 [1,0,1,0,0,0|1,0,1]=4 735 B10R1.4 COCc1ccccc1C 34a_100000698903_200000210301 [1,0,1,0,0,0|2,0,0]=4 736 B10R1.4 COCc1ccccc1C 34a_100138415774_100000211839 [1,0,1,0,0,0|2,0,0]=4 737 B10R1.4 COCc1ccccc1C 7a_100000698903_200000210301 [1,0,1,0,0,0|2,0,0]=4 738 B10R1.4 COCc1ccccc1O 271570a_203496583355_100011493684 [1,0,1,0,0,0|1,0,1]=4 739 B10R1.4 CSCc1ccccc1C 62a_100000211839_200000210301 [1,0,1,0,0,0|2,0,0]=4 740 B10R1.4 CSCc1ccccc1C 62a_200000210301_100000211839 [1,0,1,0,0,0|2,0,0]=4 741 B10R1.4 CSCc1ccccc1O 271570a_203496583355_100000148299 [1,0,1,0,0,0|1,0,1]=4 742 B10R1.4 Cc1ccccc1CN[13CH3] 34a_100000174972_200025704644 [1,0,1,0,0,0|2,0,0]=4 743 B10R1.4 Cc1ccccc1CO[13CH3] 34a_100000698903_200025704644 [1,0,1,0,0,0|2,0,0]=4 744 B10R1.4 Cc1ccccc1CO[13CH3] 7a_100000698903_200025704644 [1,0,1,0,0,0|2,0,0]=4 745 B10R1.4 Cc1ccccc1CS[13CH3] 62a_100000211839_200025704644 [1,0,1,0,0,0|2,0,0]=4 746 B10R1.4 Cc1ccccc1CS[13CH3] 62a_200025704644_100000211839 [1,0,1,0,0,0|2,0,0]=4 747 B10R1.4 Cc1ccccc1OCF 34a_100000210338_100015361967 [1,0,1,0,0,0|1,0,1]=4 748 B10R1.4 Cc1ccccc1OCF 7a_100000210338_100015361967 [1,0,1,0,0,0|1,0,1]=4 749 B10R1.4 [13CH3]NCc1ccccc1O 34a_100000185550_200025704644 [1,0,1,0,0,0|1,0,1]=4 750 B10R1.20 C#Cc1ccccc1OC 34a_200011470546_200000210301 [1,0,1,0,0,0|0,0,2]=4 751 B10R1.20 C#Cc1ccccc1OC 7a_200011470546_200000210301 [1,0,1,0,0,0|0,0,2]=4 752 B10R1.20 C#Cc1ccccc1O[13CH3] 34a_200011470546_200025704644 [1,0,1,0,0,0|0,0,2]=4 753 B10R1.20 C#Cc1ccccc1O[13CH3] 7a_200011470546_200025704644 [1,0,1,0,0,0|0,0,2]=4 754 B10R1.20 C=Cc1ccccc1C=O 271570a_100011290941_100000211189 [1,0,1,0,0,0|1,0,1]=4 755 B10R1.20 C=Cc1ccccc1CC 271570a_100011290941_100011215823 [1,0,1,0,0,0|0,0,2]=4 756 B10R1.20 C=Cc1ccccc1NC 271570a_100011290941_100020606079 [1,0,1,0,0,0|1,0,1]=4 757 B10R1.20 C=Cc1ccccc1NC 34a_100012022501_200000210301 [1,0,1,0,0,0|1,0,1]=4 758 B10R1.20 C=Cc1ccccc1N[13CH3] 34a_100012022501_200025704644 [1,0,1,0,0,0|1,0,1]=4 759 B10R1.20 C=Cc1ccccc1OC 271570a_100011290941_100000174000 [1,0,1,0,0,0|0,0,1]=3 760 B10R1.20 C=Cc1ccccc1SC 271570a_100011290941_100011217816 [1,0,1,0,0,0|0,1,1]=4 761 B10R1.20 C=Cc1ccccc1SC 62a_100011218376_200000210301 [1,0,1,0,0,0|0,1,1]=4 762 B10R1.20 C=Cc1ccccc1SC 62a_200000210301_100011218376 [1,0,1,0,0,0|0,1,1]=4 763 B10R1.20 C=Cc1ccccc1S[13CH3] 62a_100011218376_200025704644 [1,0,1,0,0,0|0,1,1]=4 764 B10R1.20 C=Cc1ccccc1S[13CH3] 62a_200025704644_100011218376 [1,0,1,0,0,0|0,1,1]=4 765 B10R1.20 C=Cc1cccnc1OC 271570a_100011290941_100000047025 [1,0,1,0,0,0|1,0,1]=4 766 B10R1.20 C=Cc1ccncc1OC 271570a_100011290941_100016988167 [1,0,1,0,0,0|1,0,1]=4 767 B10R1.20 C=Cc1cnccc1OC 271570a_100011290941_100011997281 [1,0,1,0,0,0|1,0,1]=4 768 B10R1.20 C=Cc1ncccc1OC 271570a_100011290941_100000690851 [1,0,1,0,0,0|1,0,1]=4 769 B10R1.20 CCc1ccccc1NC 2230a_100000212081_200000210301 [1,0,1,0,0,0|1,0,1]=4 770 B10R1.20 CCc1ccccc1NC 34a_100000212081_200000210301 [1,0,1,0,0,0|1,0,1]=4 771 B10R1.20 CCc1ccccc1NC 7a_100000212081_200000210301 [1,0,1,0,0,0|1,0,1]=4 772 B10R1.20 CCc1ccccc1N[13CH3] 2230a_100000212081_200025704644 [1,0,1,0,0,0|1,0,1]=4 773 B10R1.20 CCc1ccccc1N[13CH3] 34a_100000212081_200025704644 [1,0,1,0,0,0|1,0,1]=4 774 B10R1.20 CCc1ccccc1N[13CH3] 7a_100000212081_200025704644 [1,0,1,0,0,0|1,0,1]=4 775 B10R1.20 CCc1ccccc1OC 34a_100000210936_200000210301 [1,0,1,0,0,0|0,0,1]=3 776 B10R1.20 CCc1ccccc1OC 7a_100000210936_200000210301 [1,0,1,0,0,0|0,0,1]=3 777 B10R1.20 CCc1ccccc1O[13CH3] 34a_100000210936_200025704644 [1,0,1,0,0,0|0,0,1]=3 778 B10R1.20 CCc1ccccc1O[13CH3] 7a_100000210936_200025704644 [1,0,1,0,0,0|0,0,1]=3 779 B10R1.20 CCc1ccccc1SC 62a_100011215823_200000210301 [1,0,1,0,0,0|0,1,1]=4 780 B10R1.20 CCc1ccccc1SC 62a_200000210301_100011215823 [1,0,1,0,0,0|0,1,1]=4 781 B10R1.20 CCc1ccccc1S[13CH3] 62a_100011215823_200025704644 [1,0,1,0,0,0|0,1,1]=4 782 B10R1.20 CCc1ccccc1S[13CH3] 62a_200025704644_100011215823 [1,0,1,0,0,0|0,1,1]=4 783 B10R1.20 CNc1ccccc1OC 34a_100000033821_200000210301 [1,0,1,0,0,0|1,0,0]=3 784 B10R1.20 CNc1ccccc1OC 34a_100000210025_200000210301 [1,0,1,0,0,0|1,0,0]=3 785 B10R1.20 CNc1ccccc1O[13CH3] 34a_100000033821_200025704644 [1,0,1,0,0,0|1,0,0]=3 786 B10R1.20 CNc1ccccc1SC 34a_100000211160_200000210301 [1,0,1,0,0,0|1,1,0]=4 787 B10R1.20 CNc1ccccc1SC 62a_100020606079_200000210301 [1,0,1,0,0,0|1,1,0]=4 788 B10R1.20 CNc1ccccc1SC 62a_200000210301_100020606079 [1,0,1,0,0,0|1,1,0]=4 789 B10R1.20 CNc1ccccc1S[13CH3] 62a_100020606079_200025704644 [1,0,1,0,0,0|1,1,0]=4 790 B10R1.20 CNc1ccccc1S[13CH3] 62a_200025704644_100020606079 [1,0,1,0,0,0|1,1,0]=4 791 B10R1.20 COc1ccccc1C#N 34a_100000211048_200000210301 [1,0,1,0,0,0|1,0,1]=4 792 B10R1.20 COc1ccccc1C#N 7a_100000211048_200000210301 [1,0,1,0,0,0|1,0,1]=4 793 B10R1.20 COc1ccccc1CN 34a_100000185550_200000210301 [1,0,1,0,0,0|1,0,1]=4 794 B10R1.20 COc1ccccc1CO 34a_100011216872_200000210301 [1,0,1,0,0,0|1,0,1]=4 795 B10R1.20 COc1ccccc1N[13CH3] 34a_100000210025_200025704644 [1,0,1,0,0,0|1,0,0]=3 796 B10R1.20 COc1ccccc1OC 34a_100000210385_200000210301 [1,0,1,0,0,0|1,0,0]=3 797 B10R1.20 COc1ccccc1O[13CH3] 34a_100000210385_200025704644 [1,0,1,0,0,0|1,0,0]=3 798 B10R1.20 COc1ccccc1SC 34a_100011216402_200000210301 [1,0,1,0,0,0|1,0,0]=3 799 B10R1.20 COc1ccccc1SC 62a_100000210334_200000210301 [1,0,1,0,0,0|1,0,0]=3 800 B10R1.20 COc1ccccc1SC 62a_200000210301_100000210334 [1,0,1,0,0,0|1,0,0]=3 801 B10R1.20 COc1ccccc1S[13CH3] 62a_100000210334_200025704644 [1,0,1,0,0,0|1,0,0]=3 802 B10R1.20 COc1ccccc1S[13CH3] 62a_200025704644_100000210334 [1,0,1,0,0,0|1,0,0]=3 803 B10R1.20 COc1cccnc1OC 34a_100000698397_200000210301 [1,0,1,0,0,0|2,0,0]=4 804 B10R1.20 COc1cccnc1OC 34a_100025773188_200000210301 [1,0,1,0,0,0|2,0,0]=4 805 B10R1.20 COc1cccnc1OC 7a_100000698397_200000210301 [1,0,1,0,0,0|2,0,0]=4 806 B10R1.20 COc1cccnc1O[13CH3] 34a_100025773188_200025704644 [1,0,1,0,0,0|2,0,0]=4 807 B10R1.20 COc1cccnc1SC 62a_100000767102_200000210301 [1,0,1,0,0,0|2,0,0]=4 808 B10R1.20 COc1cccnc1SC 62a_200000210301_100000690851 [1,0,1,0,0,0|2,0,0]=4 809 B10R1.20 COc1cccnc1S[13CH3] 62a_100000767102_200025704644 [1,0,1,0,0,0|2,0,0]=4 810 B10R1.20 COc1cccnc1S[13CH3] 62a_200025704644_100000690851 [1,0,1,0,0,0|2,0,0]=4 811 B10R1.20 COc1ccncc1OC 34a_100000101186_200000210301 [1,0,1,0,0,0|2,0,0]=4 812 B10R1.20 COc1ccncc1O[13CH3] 34a_100000101186_200025704644 [1,0,1,0,0,0|2,0,0]=4 813 B10R1.20 COc1ccncc1SC 62a_100011997281_200000210301 [1,0,1,0,0,0|2,0,0]=4 814 B10R1.20 COc1ccncc1SC 62a_200000210301_100011997281 [1,0,1,0,0,0|2,0,0]=4 815 B10R1.20 COc1ccncc1S[13CH3] 62a_100011997281_200025704644 [1,0,1,0,0,0|2,0,0]=4 816 B10R1.20 COc1ccncc1S[13CH3] 62a_200025704644_100011997281 [1,0,1,0,0,0|2,0,0]=4 817 B10R1.20 COc1cnccc1SC 62a_100016988167_200000210301 [1,0,1,0,0,0|2,0,0]=4 818 B10R1.20 COc1cnccc1SC 62a_200000210301_100016988167 [1,0,1,0,0,0|2,0,0]=4 819 B10R1.20 COc1cnccc1S[13CH3] 62a_100016988167_200025704644 [1,0,1,0,0,0|2,0,0]=4 820 B10R1.20 COc1cnccc1S[13CH3] 62a_200025704644_100016988167 [1,0,1,0,0,0|2,0,0]=4 821 B10R1.20 COc1ncccc1O[13CH3] 34a_100000698397_200025704644 [1,0,1,0,0,0|2,0,0]=4 822 B10R1.20 COc1ncccc1O[13CH3] 7a_100000698397_200025704644 [1,0,1,0,0,0|2,0,0]=4 823 B10R1.20 COc1ncccc1SC 62a_100000047025_200000210301 [1,0,1,0,0,0|2,0,0]=4 824 B10R1.20 COc1ncccc1SC 62a_200000210301_100000047025 [1,0,1,0,0,0|2,0,0]=4 825 B10R1.20 COc1ncccc1S[13CH3] 62a_100000047025_200025704644 [1,0,1,0,0,0|2,0,0]=4 826 B10R1.20 COc1ncccc1S[13CH3] 62a_200025704644_100000047025 [1,0,1,0,0,0|2,0,0]=4 827 B10R1.20 CSc1ccccc1C=O 62a_100000210073_200000210301 [1,0,1,0,0,0|1,1,0]=4 828 B10R1.20 CSc1ccccc1C=O 62a_200000210301_100000210073 [1,0,1,0,0,0|1,1,0]=4 829 B10R1.20 CSc1ccccc1N[13CH3] 34a_100000211160_200025704644 [1,0,1,0,0,0|1,1,0]=4 830 B10R1.20 CSc1ccccc1O[13CH3] 34a_100011216402_200025704644 [1,0,1,0,0,0|1,0,0]=3 831 B10R1.20 CSc1ccccc1SC 62a_100011217816_200000210301 [1,0,1,0,0,0|1,1,0]=4 832 B10R1.20 CSc1ccccc1SC 62a_200000210301_100011217816 [1,0,1,0,0,0|1,1,0]=4 833 B10R1.20 CSc1ccccc1S[13CH3] 62a_100011217816_200025704644 [1,0,1,0,0,0|1,1,0]=4 834 B10R1.20 CSc1ccccc1S[13CH3] 62a_200025704644_100011217816 [1,0,1,0,0,0|1,1,0]=4 835 B10R1.20 [13CH3]Oc1ccccc1C#N 34a_100000211048_200025704644 [1,0,1,0,0,0|1,0,1]=4 836 B10R1.20 [13CH3]Oc1ccccc1C#N 7a_100000211048_200025704644 [1,0,1,0,0,0|1,0,1]=4 837 B10R1.20 [13CH3]Oc1ccccc1CN 34a_100000185550_200025704644 [1,0,1,0,0,0|1,0,1]=4 838 B10R1.20 [13CH3]Oc1ccccc1CO 34a_100011216872_200025704644 [1,0,1,0,0,0|1,0,1]=4 839 B10R1.20 [13CH3]Sc1ccccc1C=O 62a_100000210073_200025704644 [1,0,1,0,0,0|1,1,0]=4 840 B10R1.20 [13CH3]Sc1ccccc1C=O 62a_200025704644_100000210073 [1,0,1,0,0,0|1,1,0]=4 841 B10R1.94 C=C=Cc1csc(c1C)C 271570a_100015277604_100009820295 [1,0,1,0,0,0|0,1,1]=4 842 B10R1.94 CC=Cc1csc(c1C)C 271570a_100016259895_100009820295 [1,0,1,0,0,0|0,1,1]=4 843 B10R1.131 C=C=Cc1cc(c(s1)C)C 271570a_100015277604_100009850898 [1,0,1,0,0,0|0,1,1]=4 844 B10R1.131 CC=Cc1cc(c(s1)C)C 271570a_100016259895_100009850898 [1,0,1,0,0,0|0,1,1]=4 845 B10R1.61 C=C(C)c1c[nH]ccc1=O 271570a_100000694244_100009998708 [1,0,1,0,0,0|1,0,1]=4 846 B10R1.61 C=C(C)c1c[nH]ccc1=S 271570a_100000694244_200012280681 [1,0,1,0,0,0|1,1,0]=4 847 B10R1.61 C=C(C)c1ccc[nH]c1=O 271570a_100000694244_100000050042 [1,0,1,0,0,0|1,0,1]=4 848 B10R1.61 C=C(C)c1cccc[n+]1C 271570a_100000694244_100000212160 [1,0,1,0,0,0|2,0,0]=4 849 B10R1.61 C=C(C)c1cccc[n+]1[O-] 271570a_100000694244_200000042595 [1,0,1,0,0,0|1,0,1]=4 850 B10R1.61 C=C(C)c1ccccc1Br 271570a_100000694244_100000695589 [1,0,1,0,0,0|1,0,0]=3 851 B10R1.61 C=C(C)c1ccccc1C 271570a_100000694244_100000210755 [1,0,1,0,0,0|1,0,0]=3 852 B10R1.61 C=C(C)c1ccccc1Cl 271570a_100000694244_100000764095 [1,0,1,0,0,0|1,0,0]=3 853 B10R1.61 C=C(C)c1ccccc1F 271570a_100000694244_100011215700 [1,0,1,0,0,0|1,0,0]=3 854 B10R1.61 C=C(C)c1ccccc1N 271570a_100000694244_100000210017 [1,0,1,0,0,0|1,0,0]=3 855 B10R1.61 C=C(C)c1ccccc1O 271570a_100000694244_100000739446 [1,0,1,0,0,0|0,0,0]=2 856 B10R1.61 C=C(C)c1cccnc1Br 271570a_100000694244_100010202626 [1,0,1,0,0,0|2,0,0]=4 857 B10R1.61 C=C(C)c1cccnc1C 271570a_100000694244_100000751574 [1,0,1,0,0,0|2,0,0]=4 858 B10R1.61 C=C(C)c1cccnc1Cl 271570a_100000694244_100000036424 [1,0,1,0,0,0|2,0,0]=4 859 B10R1.61 C=C(C)c1cccnc1F 271570a_100000694244_100009816115 [1,0,1,0,0,0|2,0,0]=4 860 B10R1.61 C=C(C)c1cccnc1N 271570a_100000694244_100000045569 [1,0,1,0,0,0|2,0,0]=4 861 B10R1.61 C=C(C)c1ccncc1Br 271570a_100000694244_100000726257 [1,0,1,0,0,0|2,0,0]=4 862 B10R1.61 C=C(C)c1ccncc1C 271570a_100000694244_100015191297 [1,0,1,0,0,0|2,0,0]=4 863 B10R1.61 C=C(C)c1ccncc1Cl 271570a_100000694244_100000708259 [1,0,1,0,0,0|2,0,0]=4 864 B10R1.61 C=C(C)c1ccncc1F 271570a_100000694244_100000047030 [1,0,1,0,0,0|2,0,0]=4 865 B10R1.61 C=C(C)c1ccncc1N 271570a_100000694244_100009815883 [1,0,1,0,0,0|2,0,0]=4 866 B10R1.61 C=C(C)c1ccncc1O 271570a_100000694244_100009817591 [1,0,1,0,0,0|1,0,0]=3 867 B10R1.61 C=C(C)c1cnccc1Br 271570a_100000694244_100010138639 [1,0,1,0,0,0|2,0,0]=4 868 B10R1.61 C=C(C)c1cnccc1C 271570a_100000694244_100000761580 [1,0,1,0,0,0|2,0,0]=4 869 B10R1.61 C=C(C)c1cnccc1Cl 271570a_100000694244_100009995489 [1,0,1,0,0,0|2,0,0]=4 870 B10R1.61 C=C(C)c1cnccc1F 271570a_100000694244_100009820683 [1,0,1,0,0,0|2,0,0]=4 871 B10R1.61 C=C(C)c1cnccc1N 271570a_100000694244_100000047001 [1,0,1,0,0,0|2,0,0]=4 872 B10R1.61 C=C(C)c1cncnc1O 271570a_100000694244_100000751107 [1,0,1,0,0,0|2,0,0]=4 873 B10R1.61 C=C(C)c1ncccc1Br 271570a_100000694244_100000696092 [1,0,1,0,0,0|2,0,0]=4 874 B10R1.61 C=C(C)c1ncccc1C 271570a_100000694244_100000751373 [1,0,1,0,0,0|2,0,0]=4 875 B10R1.61 C=C(C)c1ncccc1Cl 271570a_100000694244_100011356963 [1,0,1,0,0,0|2,0,0]=4 876 B10R1.61 C=C(C)c1ncccc1F 271570a_100000694244_100000685392 [1,0,1,0,0,0|2,0,0]=4 877 B10R1.61 C=C(C)c1ncccc1N 271570a_100000694244_100000688686 [1,0,1,0,0,0|2,0,0]=4 878 B10R1.61 C=C(C)c1ncccc1O 271570a_100000694244_100000034122 [1,0,1,0,0,0|1,0,0]=3 879 B10R1.61 CC(=O)c1ccccc1Br 1458a_100000188424_200000210301 [1,0,1,0,0,0|2,0,0]=4 880 B10R1.61 CC(=O)c1ccccc1C 1458a_100000212026_200000210301 [1,0,1,0,0,0|2,0,0]=4 881 B10R1.61 CC(=O)c1ccccc1Cl 1458a_100000185844_200000210301 [1,0,1,0,0,0|2,0,0]=4 882 B10R1.61 CC(=O)c1ccccc1F 1458a_100000188656_200000210301 [1,0,1,0,0,0|2,0,0]=4 883 B10R1.61 CC(=O)c1ccccc1I 1458a_100000187884_200000210301 [1,0,1,0,0,0|2,0,0]=4 884 B10R1.61 CC(=O)c1ccccc1O 1458a_100015234032_200000210301 [1,0,1,0,0,0|1,0,0]=3 885 B10R1.61 CC(=O)c1ccccc1O 271570a_203496583355_100000751169 [1,0,1,0,0,0|1,0,0]=3 886 B10R1.61 CC(=O)c1ccccc1[O-] 1458a_100009911694_200000210301 [1,0,1,0,0,0|1,0,1]=4 887 B10R1.61 CC(=O)c1cccnc1O 271570a_203496583355_100000753718 [1,0,1,0,0,0|2,0,0]=4 888 B10R1.61 CC(=O)c1ccncc1O 271570a_203496583355_100009993184 [1,0,1,0,0,0|2,0,0]=4 889 B10R1.61 CC(=O)c1cnccc1O 271570a_203496583355_100160469449 [1,0,1,0,0,0|2,0,0]=4 890 B10R1.61 CC(=O)c1ncccc1O 271570a_203496583355_100012348690 [1,0,1,0,0,0|2,0,0]=4 891 B10R1.61 CC(C)c1ccccc1O 271570a_203496583355_100011218076 [1,0,1,0,0,0|0,0,1]=3 892 B10R1.61 CC(C)c1cccnc1O 271570a_203496583355_200010382935 [1,0,1,0,0,0|1,0,1]=4 893 B10R1.61 CC(N)c1ccccc1O 271570a_203496583355_100000181357 [1,0,1,0,0,0|1,0,1]=4 894 B10R1.61 CC(O)c1ccccc1O 271570a_203496583355_100000702211 [1,0,1,0,0,0|1,0,1]=4 895 B10R1.61 CN(C)c1ccccc1Br 2230a_100020606079_200000210301 [1,0,1,0,0,0|2,0,0]=4 896 B10R1.61 CN(C)c1ccccc1Br 269982a_100020606079_200000210301 [1,0,1,0,0,0|2,0,0]=4 897 B10R1.61 CN(C)c1ccccc1Br 34a_100020606079_200000210301 [1,0,1,0,0,0|2,0,0]=4 898 B10R1.61 CN(C)c1ccccc1Cl 2230a_100000219374_200000210301 [1,0,1,0,0,0|2,0,0]=4 899 B10R1.61 CN(C)c1ccccc1Cl 269982a_100000219374_200000210301 [1,0,1,0,0,0|2,0,0]=4 900 B10R1.61 CN(C)c1ccccc1Cl 34a_100000219374_200000210301 [1,0,1,0,0,0|2,0,0]=4 901 B10R1.61 CN(C)c1ccccc1F 2230a_100000220357_200000210301 [1,0,1,0,0,0|2,0,0]=4 902 B10R1.61 CN(C)c1ccccc1F 269982a_100000220357_200000210301 [1,0,1,0,0,0|2,0,0]=4 903 B10R1.61 CN(C)c1ccccc1F 34a_100000220357_200000210301 [1,0,1,0,0,0|2,0,0]=4 904 B10R1.61 CN(C)c1ccccc1F 38a_100000220357_200000210301 [1,0,1,0,0,0|2,0,0]=4 905 B10R1.61 CN(C)c1ccccc1O 269982a_100000033821_200000210301 [1,0,1,0,0,0|1,0,0]=3 906 B10R1.61 CN(C)c1ccccc1O 271570a_203496583355_100011290883 [1,0,1,0,0,0|1,0,0]=3 907 B10R1.61 CN(C)c1ccncc1O 271570a_203496583355_100012355995 [1,0,1,0,0,0|2,0,0]=4 908 B10R1.61 CN(C)c1ncccc1O 271570a_203496583355_100011465059 [1,0,1,0,0,0|2,0,0]=4 909 B10R1.61 CN([13CH3])c1ccccc1Br 2230a_100020606079_200025704644 [1,0,1,0,0,0|2,0,0]=4 910 B10R1.61 CN([13CH3])c1ccccc1Br 269982a_100020606079_200025704644 [1,0,1,0,0,0|2,0,0]=4 911 B10R1.61 CN([13CH3])c1ccccc1Br 34a_100020606079_200025704644 [1,0,1,0,0,0|2,0,0]=4 912 B10R1.61 CN([13CH3])c1ccccc1Cl 2230a_100000219374_200025704644 [1,0,1,0,0,0|2,0,0]=4 913 B10R1.61 CN([13CH3])c1ccccc1Cl 269982a_100000219374_200025704644 [1,0,1,0,0,0|2,0,0]=4 914 B10R1.61 CN([13CH3])c1ccccc1Cl 34a_100000219374_200025704644 [1,0,1,0,0,0|2,0,0]=4 915 B10R1.61 CN([13CH3])c1ccccc1F 2230a_100000220357_200025704644 [1,0,1,0,0,0|2,0,0]=4 916 B10R1.61 CN([13CH3])c1ccccc1F 269982a_100000220357_200025704644 [1,0,1,0,0,0|2,0,0]=4 917 B10R1.61 CN([13CH3])c1ccccc1F 34a_100000220357_200025704644 [1,0,1,0,0,0|2,0,0]=4 918 B10R1.61 CN([13CH3])c1ccccc1F 38a_100000220357_200025704644 [1,0,1,0,0,0|2,0,0]=4 919 B10R1.61 CN([13CH3])c1ccccc1O 269982a_100000033821_200025704644 [1,0,1,0,0,0|1,0,0]=3 920 B10R1.61 CS(=O)c1ccccc1O 271570a_203496583355_100000734199 [1,0,1,0,0,0|2,0,0]=4 921 B10R1.61 Cc1ccccc1C(=O)[13CH3] 1458a_100000212026_200025704644 [1,0,1,0,0,0|2,0,0]=4 922 B10R1.61 Cc1ccccc1N(C)C 2230a_100000219699_200000210301 [1,0,1,0,0,0|2,0,0]=4 923 B10R1.61 Cc1ccccc1N(C)C 269982a_100000219699_200000210301 [1,0,1,0,0,0|2,0,0]=4 924 B10R1.61 Cc1ccccc1N(C)C 34a_100000219699_200000210301 [1,0,1,0,0,0|2,0,0]=4 925 B10R1.61 Cc1ccccc1N(C)[13CH3] 2230a_100000219699_200025704644 [1,0,1,0,0,0|2,0,0]=4 926 B10R1.61 Cc1ccccc1N(C)[13CH3] 269982a_100000219699_200025704644 [1,0,1,0,0,0|2,0,0]=4 927 B10R1.61 Cc1ccccc1N(C)[13CH3] 34a_100000219699_200025704644 [1,0,1,0,0,0|2,0,0]=4 928 B10R1.61 NC(=O)c1ccccc1O 271570a_203496583355_100000162227 [1,0,1,0,0,0|2,0,0]=4 929 B10R1.61 [13CH3]C(=O)c1ccccc1Br 1458a_100000188424_200025704644 [1,0,1,0,0,0|2,0,0]=4 930 B10R1.61 [13CH3]C(=O)c1ccccc1Cl 1458a_100000185844_200025704644 [1,0,1,0,0,0|2,0,0]=4 931 B10R1.61 [13CH3]C(=O)c1ccccc1F 1458a_100000188656_200025704644 [1,0,1,0,0,0|2,0,0]=4 932 B10R1.61 [13CH3]C(=O)c1ccccc1I 1458a_100000187884_200025704644 [1,0,1,0,0,0|2,0,0]=4 933 B10R1.61 [13CH3]C(=O)c1ccccc1O 1458a_100015234032_200025704644 [1,0,1,0,0,0|1,0,0]=3 934 B10R1.61 [13CH3]C(=O)c1ccccc1[O-] 1458a_100009911694_200025704644 [1,0,1,0,0,0|1,0,1]=4 935 B10R1.32 C=Cc1cc(sc1C=O)C 271570a_100011290941_100011361552 [1,0,1,0,0,0|1,1,0]=4 936 B12R1.20 CC(=C(C)c1cc[n+](cc1)[O-])C 271570a_200000049429_100000039755 [0,1,1,0,0,0|2,0,0]=4 937 B12R1.20 CC(=C(C)c1ccc(=O)[nH]c1)C 271570a_200000049429_100000212171 [0,1,1,0,0,0|2,0,0]=4 938 B12R1.20 CC(=C(C)c1ccc(cc1)Br)C 271570a_200000049429_100000752885 [0,1,1,0,0,0|1,0,0]=3 939 B12R1.20 CC(=C(C)c1ccc(cc1)C)C 271570a_200000049429_100000186775 [0,1,1,0,0,0|1,0,0]=3 940 B12R1.20 CC(=C(C)c1ccc(cc1)Cl)C 271570a_200000049429_100000755918 [0,1,1,0,0,0|1,0,0]=3 941 B12R1.20 CC(=C(C)c1ccc(cc1)F)C 271570a_200000049429_100000211213 [0,1,1,0,0,0|1,0,0]=3 942 B12R1.20 CC(=C(C)c1ccc(cc1)N)C 271570a_200000049429_100000185761 [0,1,1,0,0,0|1,0,0]=3 943 B12R1.20 CC(=C(C)c1ccc(cc1)O)C 271570a_200000049429_100000185759 [0,1,1,0,0,0|1,0,0]=3 944 B12R1.20 CC(=C(C)c1ccc(cn1)Br)C 271570a_200000049429_100000686858 [0,1,1,0,0,0|2,0,0]=4 945 B12R1.20 CC(=C(C)c1ccc(cn1)C)C 271570a_200000049429_100000754016 [0,1,1,0,0,0|2,0,0]=4 946 B12R1.20 CC(=C(C)c1ccc(cn1)Cl)C 271570a_200000049429_100011356976 [0,1,1,0,0,0|2,0,0]=4 947 B12R1.20 CC(=C(C)c1ccc(cn1)F)C 271570a_200000049429_100000744514 [0,1,1,0,0,0|2,0,0]=4 948 B12R1.20 CC(=C(C)c1ccc(cn1)N)C 271570a_200000049429_100000744251 [0,1,1,0,0,0|2,0,0]=4 949 B12R1.20 CC(=C(C)c1ccc(cn1)O)C 271570a_200000049429_100000685995 [0,1,1,0,0,0|2,0,0]=4 950 B12R1.20 CC(=C(C)c1ccc(nc1)Br)C 271570a_200000049429_100009814638 [0,1,1,0,0,0|2,0,0]=4 951 B12R1.20 CC(=C(C)c1ccc(nc1)C)C 271570a_200000049429_100000751577 [0,1,1,0,0,0|2,0,0]=4 952 B12R1.20 CC(=C(C)c1ccc(nc1)Cl)C 271570a_200000049429_100000034144 [0,1,1,0,0,0|2,0,0]=4 953 B12R1.20 CC(=C(C)c1ccc(nc1)F)C 271570a_200000049429_100000748661 [0,1,1,0,0,0|2,0,0]=4 954 B12R1.20 CC(=C(C)c1ccc(nc1)N)C 271570a_200000049429_100000187370 [0,1,1,0,0,0|2,0,0]=4 955 B12R1.20 CC(=O)C(C)c1ccc(cc1)Br 1458a_100000070787_100000755118 [0,1,1,0,0,0|0,0,2]=4 956 B12R1.20 CC(=O)C(C)c1ccc(cc1)C 1458a_100000070787_100011261388 [0,1,1,0,0,0|0,0,2]=4 957 B12R1.20 CC(=O)C(C)c1ccc(cc1)C 1458a_100000751627_200000210301 [0,1,1,0,0,0|0,0,2]=4 958 B12R1.20 CC(=O)C(C)c1ccc(cc1)Cl 1458a_100000070787_100000684792 [0,1,1,0,0,0|0,0,2]=4 959 B12R1.20 CC(=O)C(C)c1ccc(cc1)Cl 1458a_100011216001_200000210301 [0,1,1,0,0,0|0,0,2]=4 960 B12R1.20 CC(=O)C(C)c1ccc(cc1)F 1458a_100000070787_100000743420 [0,1,1,0,0,0|0,0,2]=4 961 B12R1.20 CC(=O)C(C)c1ccc(cc1)F 1458a_100011435297_200000210301 [0,1,1,0,0,0|0,0,2]=4 962 B12R1.20 CC(=O)C(C)c1ccc(cc1)O 1458a_100000031422_200000210301 [0,1,1,0,0,0|0,0,2]=4 963 B12R1.20 CC(=O)N(C)c1ccc(cc1)Br 11a_100000219623_100015343762 [0,1,1,0,0,0|1,0,1]=4 964 B12R1.20 CC(=O)N(C)c1ccc(cc1)Br 1626a_100000219623_100015343762 [0,1,1,0,0,0|1,0,1]=4 965 B12R1.20 CC(=O)N(C)c1ccc(cc1)Br 22a_100000219623_100000070787 [0,1,1,0,0,0|1,0,1]=4 966 B12R1.20 CC(=O)N(C)c1ccc(cc1)C 11a_100000219977_100015343762 [0,1,1,0,0,0|1,0,1]=4 967 B12R1.20 CC(=O)N(C)c1ccc(cc1)C 1626a_100000219977_100015343762 [0,1,1,0,0,0|1,0,1]=4 968 B12R1.20 CC(=O)N(C)c1ccc(cc1)C 22a_100000219977_100000070787 [0,1,1,0,0,0|1,0,1]=4 969 B12R1.20 CC(=O)N(C)c1ccc(cc1)Cl 11a_100020629279_100015343762 [0,1,1,0,0,0|1,0,1]=4 970 B12R1.20 CC(=O)N(C)c1ccc(cc1)Cl 1626a_100020629279_100015343762 [0,1,1,0,0,0|1,0,1]=4 971 B12R1.20 CC(=O)N(C)c1ccc(cc1)Cl 22a_100020629279_100000070787 [0,1,1,0,0,0|1,0,1]=4 972 B12R1.20 CC(=O)N(C)c1ccc(cc1)F 11a_100000219829_100015343762 [0,1,1,0,0,0|1,0,1]=4 973 B12R1.20 CC(=O)N(C)c1ccc(cc1)F 1626a_100000219829_100015343762 [0,1,1,0,0,0|1,0,1]=4 974 B12R1.20 CC(=O)N(C)c1ccc(cc1)F 22a_100000219829_100000070787 [0,1,1,0,0,0|1,0,1]=4 975 B12R1.20 CC(=O)N(C)c1ccc(cc1)I 11a_100000743151_100015343762 [0,1,1,0,0,0|1,0,1]=4 976 B12R1.20 CC(=O)N(C)c1ccc(cc1)I 1626a_100000743151_100015343762 [0,1,1,0,0,0|1,0,1]=4 977 B12R1.20 CC(=O)N(C)c1ccc(cc1)I 22a_100000743151_100000070787 [0,1,1,0,0,0|1,0,1]=4 978 B12R1.20 CC(=O)N(C)c1ccc(cc1)O 22a_100000182112_100000070787 [0,1,1,0,0,0|1,0,1]=4 979 B12R1.20 CC(=O)N(C)c1ccc(cc1)O 271570a_203496583355_200009816415 [0,1,1,0,0,0|1,0,1]=4 980 B12R1.20 CC(=O)N(C)c1ccc(cc1)O 527a_100000182112_100103153847 [0,1,1,0,0,0|1,0,1]=4 981 B12R1.20 CC(C(=O)[13CH3])c1ccc(cc1)Cl 1458a_100011216001_200025704644 [0,1,1,0,0,0|0,0,2]=4 982 B12R1.20 CC(C(=O)[13CH3])c1ccc(cc1)F 1458a_100011435297_200025704644 [0,1,1,0,0,0|0,0,2]=4 983 B12R1.20 CC(C(=O)[13CH3])c1ccc(cc1)O 1458a_100000031422_200025704644 [0,1,1,0,0,0|0,0,2]=4 984 B12R1.20 Cc1ccc(cc1)C(C)C(=O)[13CH3] 1458a_100000751627_200025704644 [0,1,1,0,0,0|0,0,2]=4 985 B12R1.34 C=C(C(=O)CC)c1ccccc1 1458a_100000065200_100000210202 [0,1,1,0,0,0|0,0,2]=4 986 B12R1.34 C=C(C(=O)CF)c1ccccc1 1458a_100000065200_100015361967 [0,1,1,0,0,0|0,0,2]=4 987 B12R1.34 C=C(C(=O)NC)c1ccccc1 1626a_100102657272_100000065200 [0,1,1,0,0,0|0,0,2]=4 988 B12R1.34 CC(C(=O)CO)c1ccccc1 1458a_100000210174_100000230085 [0,1,1,0,0,0|0,0,2]=4 989 B12R1.34 CC(CO)N(C)c1ccccc1 2230a_100000210012_100012180447 [0,1,1,0,0,0|1,0,1]=4 990 B12R1.34 CC(CO)N(C)c1ccccc1 34a_100000210012_100012180447 [0,1,1,0,0,0|1,0,1]=4 991 B12R1.34 CCC(=O)C(C)c1ccccc1 1458a_100000210414_100000230085 [0,1,1,0,0,0|0,0,2]=4 992 B12R1.34 CCC(=O)N(C)c1ccccc1 11a_100000210012_100000210414 [0,1,1,0,0,0|1,0,1]=4 993 B12R1.34 CCC(=O)N(C)c1ccccc1 1626a_100000210012_100000210414 [0,1,1,0,0,0|1,0,1]=4 994 B12R1.34 CCC(=O)N(C)c1ccccc1 22a_100000210012_100000210414 [0,1,1,0,0,0|1,0,1]=4 995 B12R1.34 CCC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_100000210202 [0,1,1,0,0,0|0,0,2]=4 996 B12R1.34 CN(C(=O)CO)c1ccccc1 22a_100000210012_100000210174 [0,1,1,0,0,0|1,0,1]=4 997 B12R1.34 CNC(=O)N(C)c1ccccc1 512a_106832991638_100000210012 [0,1,1,0,0,0|1,0,1]=4 998 B12R1.34 CNC(=O)[C@@H](C)c1ccccc1 11a_106832991635_100000751047 [0,1,1,0,0,0|0,0,2]=4 999 B12R1.34 CNC(=O)[C@@H](C)c1ccccc1 1626a_100102657272_100000751047 [0,1,1,0,0,0|0,0,2]=4 1000 B12R1.34 CNC(=O)[C@@H](C)c1ccccc1 240690a_100102657272_100000751047 [0,1,1,0,0,0|0,0,2]=4 1001 B12R1.34 CNC(=O)[C@@H](C)c1ccccc1 527a_100102657272_100000751047 [0,1,1,0,0,0|0,0,2]=4 1002 B12R1.34 COC(C)N(C)c1ccccc1 269982a_100000210012_100009879195 [0,1,1,0,0,0|1,0,1]=4 1003 B12R1.34 C[C@H](C(=O)CF)c1ccccc1 1458a_100000751047_100015361967 [0,1,1,0,0,0|0,0,2]=4 1004 B12R1.34 C[C@H](CO)N(C)c1ccccc1 269982a_100000210012_100016084084 [0,1,1,0,0,0|1,0,1]=4 1005 B12R1.124 CC(=C(C)c1c[nH]ccc1=O)C 271570a_200000049429_100009998708 [0,1,1,0,0,0|2,0,0]=4 1006 B12R1.124 CC(=C(C)c1c[nH]ccc1=S)C 271570a_200000049429_200012280681 [0,1,1,0,0,0|2,0,0]=4 1007 B12R1.124 CC(=C(C)c1ccc[nH]c1=O)C 271570a_200000049429_100000050042 [0,1,1,0,0,0|2,0,0]=4 1008 B12R1.124 CC(=C(C)c1cccc[n+]1C)C 271570a_200000049429_100000212160 [0,1,1,0,0,0|2,0,0]=4 1009 B12R1.124 CC(=C(C)c1cccc[n+]1[O-])C 271570a_200000049429_200000042595 [0,1,1,0,0,0|2,0,0]=4 1010 B12R1.124 CC(=C(C)c1ccccc1Br)C 271570a_200000049429_100000695589 [0,1,1,0,0,0|1,0,0]=3 1011 B12R1.124 CC(=C(C)c1ccccc1C)C 271570a_200000049429_100000210755 [0,1,1,0,0,0|1,0,0]=3 1012 B12R1.124 CC(=C(C)c1ccccc1Cl)C 271570a_200000049429_100000764095 [0,1,1,0,0,0|1,0,0]=3 1013 B12R1.124 CC(=C(C)c1ccccc1F)C 271570a_200000049429_100011215700 [0,1,1,0,0,0|1,0,0]=3 1014 B12R1.124 CC(=C(C)c1ccccc1N)C 271570a_200000049429_100000210017 [0,1,1,0,0,0|1,0,0]=3 1015 B12R1.124 CC(=C(C)c1ccccc1O)C 271570a_200000049429_100000739446 [0,1,1,0,0,0|1,0,0]=3 1016 B12R1.124 CC(=C(C)c1cccnc1Br)C 271570a_200000049429_100010202626 [0,1,1,0,0,0|2,0,0]=4 1017 B12R1.124 CC(=C(C)c1cccnc1C)C 271570a_200000049429_100000751574 [0,1,1,0,0,0|2,0,0]=4 1018 B12R1.124 CC(=C(C)c1cccnc1Cl)C 271570a_200000049429_100000036424 [0,1,1,0,0,0|2,0,0]=4 1019 B12R1.124 CC(=C(C)c1cccnc1F)C 271570a_200000049429_100009816115 [0,1,1,0,0,0|2,0,0]=4 1020 B12R1.124 CC(=C(C)c1cccnc1N)C 271570a_200000049429_100000045569 [0,1,1,0,0,0|2,0,0]=4 1021 B12R1.124 CC(=C(C)c1ccncc1Br)C 271570a_200000049429_100000726257 [0,1,1,0,0,0|2,0,0]=4 1022 B12R1.124 CC(=C(C)c1ccncc1C)C 271570a_200000049429_100015191297 [0,1,1,0,0,0|2,0,0]=4 1023 B12R1.124 CC(=C(C)c1ccncc1Cl)C 271570a_200000049429_100000708259 [0,1,1,0,0,0|2,0,0]=4 1024 B12R1.124 CC(=C(C)c1ccncc1F)C 271570a_200000049429_100000047030 [0,1,1,0,0,0|2,0,0]=4 1025 B12R1.124 CC(=C(C)c1ccncc1N)C 271570a_200000049429_100009815883 [0,1,1,0,0,0|2,0,0]=4 1026 B12R1.124 CC(=C(C)c1ccncc1O)C 271570a_200000049429_100009817591 [0,1,1,0,0,0|2,0,0]=4 1027 B12R1.124 CC(=C(C)c1cnccc1Br)C 271570a_200000049429_100010138639 [0,1,1,0,0,0|2,0,0]=4 1028 B12R1.124 CC(=C(C)c1cnccc1C)C 271570a_200000049429_100000761580 [0,1,1,0,0,0|2,0,0]=4 1029 B12R1.124 CC(=C(C)c1cnccc1Cl)C 271570a_200000049429_100009995489 [0,1,1,0,0,0|2,0,0]=4 1030 B12R1.124 CC(=C(C)c1cnccc1F)C 271570a_200000049429_100009820683 [0,1,1,0,0,0|2,0,0]=4 1031 B12R1.124 CC(=C(C)c1cnccc1N)C 271570a_200000049429_100000047001 [0,1,1,0,0,0|2,0,0]=4 1032 B12R1.124 CC(=C(C)c1ncccc1Br)C 271570a_200000049429_100000696092 [0,1,1,0,0,0|2,0,0]=4 1033 B12R1.124 CC(=C(C)c1ncccc1C)C 271570a_200000049429_100000751373 [0,1,1,0,0,0|2,0,0]=4 1034 B12R1.124 CC(=C(C)c1ncccc1Cl)C 271570a_200000049429_100011356963 [0,1,1,0,0,0|2,0,0]=4 1035 B12R1.124 CC(=C(C)c1ncccc1F)C 271570a_200000049429_100000685392 [0,1,1,0,0,0|2,0,0]=4 1036 B12R1.124 CC(=C(C)c1ncccc1N)C 271570a_200000049429_100000688686 [0,1,1,0,0,0|2,0,0]=4 1037 B12R1.124 CC(=C(C)c1ncccc1O)C 271570a_200000049429_100000034122 [0,1,1,0,0,0|2,0,0]=4 1038 B12R1.124 CC(=O)C(C)c1ccccc1Br 1458a_100012359601_200000210301 [0,1,1,0,0,0|0,0,2]=4 1039 B12R1.124 CC(=O)C(C)c1ccccc1Cl 1458a_100000070787_100000181259 [0,1,1,0,0,0|0,0,2]=4 1040 B12R1.124 CC(=O)C(C)c1ccccc1Cl 1458a_100011667492_200000210301 [0,1,1,0,0,0|0,0,2]=4 1041 B12R1.124 CC(=O)C(C)c1ccccc1F 1458a_100000070787_200000741388 [0,1,1,0,0,0|0,0,2]=4 1042 B12R1.124 CC(=O)N(C)c1ccccc1Br 11a_100020606079_100015343762 [0,1,1,0,0,0|1,0,1]=4 1043 B12R1.124 CC(=O)N(C)c1ccccc1Br 1626a_100020606079_100015343762 [0,1,1,0,0,0|1,0,1]=4 1044 B12R1.124 CC(=O)N(C)c1ccccc1C 11a_100000219699_100015343762 [0,1,1,0,0,0|1,0,1]=4 1045 B12R1.124 CC(=O)N(C)c1ccccc1C 1626a_100000219699_100015343762 [0,1,1,0,0,0|1,0,1]=4 1046 B12R1.124 CC(=O)N(C)c1ccccc1C 22a_100000219699_100000070787 [0,1,1,0,0,0|1,0,1]=4 1047 B12R1.124 CC(=O)N(C)c1ccccc1Cl 11a_100000219374_100015343762 [0,1,1,0,0,0|1,0,1]=4 1048 B12R1.124 CC(=O)N(C)c1ccccc1Cl 1626a_100000219374_100015343762 [0,1,1,0,0,0|1,0,1]=4 1049 B12R1.124 CC(=O)N(C)c1ccccc1F 11a_100000220357_100015343762 [0,1,1,0,0,0|1,0,1]=4 1050 B12R1.124 CC(=O)N(C)c1ccccc1F 1626a_100000220357_100015343762 [0,1,1,0,0,0|1,0,1]=4 1051 B12R1.124 CC(=O)N(C)c1ccccc1F 22a_100000220357_100000070787 [0,1,1,0,0,0|1,0,1]=4 1052 B12R1.124 CC(=O)N(C)c1ccccc1O 22a_100000033821_100000070787 [0,1,1,0,0,0|1,0,1]=4 1053 B12R1.124 CC(=O)N(C)c1ccccc1O 527a_100000033821_100103153847 [0,1,1,0,0,0|1,0,1]=4 1054 B12R1.124 CC(C(=O)[13CH3])c1ccccc1Br 1458a_100012359601_200025704644 [0,1,1,0,0,0|0,0,2]=4 1055 B12R1.124 CC(C(=O)[13CH3])c1ccccc1Cl 1458a_100011667492_200025704644 [0,1,1,0,0,0|0,0,2]=4 1056 B12R1.225 CC(=C(C)c1cc(ccn1)C)C 271570a_200000049429_100000750283 [0,1,1,0,0,0|2,0,0]=4 1057 B12R1.225 CC(=C(C)c1cc(ccn1)Cl)C 271570a_200000049429_100010167805 [0,1,1,0,0,0|2,0,0]=4 1058 B12R1.225 CC(=C(C)c1cc(ccn1)F)C 271570a_200000049429_100009817058 [0,1,1,0,0,0|2,0,0]=4 1059 B12R1.225 CC(=C(C)c1cc(ccn1)N)C 271570a_200000049429_100009814236 [0,1,1,0,0,0|2,0,0]=4 1060 B12R1.225 CC(=C(C)c1cc(ccn1)O)C 271570a_200000049429_100000762945 [0,1,1,0,0,0|2,0,0]=4 1061 B12R1.225 CC(=C(C)c1cc[nH]c(=O)c1)C 271570a_200000049429_100009816521 [0,1,1,0,0,0|2,0,0]=4 1062 B12R1.225 CC(=C(C)c1ccc[n+](c1)C)C 271570a_200000049429_100009996589 [0,1,1,0,0,0|2,0,0]=4 1063 B12R1.225 CC(=C(C)c1ccc[n+](c1)[O-])C 271570a_200000049429_100009815978 [0,1,1,0,0,0|2,0,0]=4 1064 B12R1.225 CC(=C(C)c1cccc(=O)[nH]1)C 271570a_200000049429_100000761760 [0,1,1,0,0,0|2,0,0]=4 1065 B12R1.225 CC(=C(C)c1cccc(c1)Br)C 271570a_200000049429_100000691529 [0,1,1,0,0,0|1,0,0]=3 1066 B12R1.225 CC(=C(C)c1cccc(c1)C)C 271570a_200000049429_100011215228 [0,1,1,0,0,0|1,0,0]=3 1067 B12R1.225 CC(=C(C)c1cccc(c1)Cl)C 271570a_200000049429_100000699651 [0,1,1,0,0,0|1,0,0]=3 1068 B12R1.225 CC(=C(C)c1cccc(c1)F)C 271570a_200000049429_100000685547 [0,1,1,0,0,0|1,0,0]=3 1069 B12R1.225 CC(=C(C)c1cccc(c1)N)C 271570a_200000049429_100000210019 [0,1,1,0,0,0|1,0,0]=3 1070 B12R1.225 CC(=C(C)c1cccc(c1)O)C 271570a_200000049429_100000211634 [0,1,1,0,0,0|1,0,0]=3 1071 B12R1.225 CC(=C(C)c1cccc(c1)[S])C 271570a_200000049429_114929384022 [0,1,1,0,0,0|1,0,0]=3 1072 B12R1.225 CC(=C(C)c1cccc(n1)Br)C 271570a_200000049429_100000684672 [0,1,1,0,0,0|2,0,0]=4 1073 B12R1.225 CC(=C(C)c1cccc(n1)C)C 271570a_200000049429_100000742759 [0,1,1,0,0,0|2,0,0]=4 1074 B12R1.225 CC(=C(C)c1cccc(n1)F)C 271570a_200000049429_100009815982 [0,1,1,0,0,0|2,0,0]=4 1075 B12R1.225 CC(=C(C)c1cccc(n1)N)C 271570a_200000049429_100000740741 [0,1,1,0,0,0|2,0,0]=4 1076 B12R1.225 CC(=C(C)c1ccnc(c1)Br)C 271570a_200000049429_100009814637 [0,1,1,0,0,0|2,0,0]=4 1077 B12R1.225 CC(=C(C)c1ccnc(c1)C)C 271570a_200000049429_100000758586 [0,1,1,0,0,0|2,0,0]=4 1078 B12R1.225 CC(=C(C)c1ccnc(c1)Cl)C 271570a_200000049429_100000035001 [0,1,1,0,0,0|2,0,0]=4 1079 B12R1.225 CC(=C(C)c1ccnc(c1)F)C 271570a_200000049429_100009816116 [0,1,1,0,0,0|2,0,0]=4 1080 B12R1.225 CC(=C(C)c1ccnc(c1)N)C 271570a_200000049429_100000744379 [0,1,1,0,0,0|2,0,0]=4 1081 B12R1.225 CC(=C(C)c1cncc(c1)Br)C 271570a_200000049429_100000728054 [0,1,1,0,0,0|2,0,0]=4 1082 B12R1.225 CC(=C(C)c1cncc(c1)C)C 271570a_200000049429_100000760492 [0,1,1,0,0,0|2,0,0]=4 1083 B12R1.225 CC(=C(C)c1cncc(c1)Cl)C 271570a_200000049429_100000049639 [0,1,1,0,0,0|2,0,0]=4 1084 B12R1.225 CC(=C(C)c1cncc(c1)F)C 271570a_200000049429_100000744099 [0,1,1,0,0,0|2,0,0]=4 1085 B12R1.225 CC(=C(C)c1cncc(c1)N)C 271570a_200000049429_100000687067 [0,1,1,0,0,0|2,0,0]=4 1086 B12R1.225 CC(=C(C)c1cncc(c1)O)C 271570a_200000049429_100000754920 [0,1,1,0,0,0|2,0,0]=4 1087 B12R1.225 CC(=O)C(C)c1cccc(c1)Br 1458a_100000722698_200000210301 [0,1,1,0,0,0|0,0,2]=4 1088 B12R1.225 CC(=O)C(C)c1cccc(c1)Cl 1458a_100000762818_200000210301 [0,1,1,0,0,0|0,0,2]=4 1089 B12R1.225 CC(=O)C(C)c1cccc(c1)F 1458a_100000762896_200000210301 [0,1,1,0,0,0|0,0,2]=4 1090 B12R1.225 CC(=O)N(C)c1cccc(c1)Br 11a_100000219648_100015343762 [0,1,1,0,0,0|1,0,1]=4 1091 B12R1.225 CC(=O)N(C)c1cccc(c1)Br 1626a_100000219648_100015343762 [0,1,1,0,0,0|1,0,1]=4 1092 B12R1.225 CC(=O)N(C)c1cccc(c1)Br 22a_100000219648_100000070787 [0,1,1,0,0,0|1,0,1]=4 1093 B12R1.225 CC(=O)N(C)c1cccc(c1)Br 527a_100000219648_100103153847 [0,1,1,0,0,0|1,0,1]=4 1094 B12R1.225 CC(=O)N(C)c1cccc(c1)C 11a_100000219674_100015343762 [0,1,1,0,0,0|1,0,1]=4 1095 B12R1.225 CC(=O)N(C)c1cccc(c1)C 1626a_100000219674_100015343762 [0,1,1,0,0,0|1,0,1]=4 1096 B12R1.225 CC(=O)N(C)c1cccc(c1)C 22a_100000219674_100000070787 [0,1,1,0,0,0|1,0,1]=4 1097 B12R1.225 CC(=O)N(C)c1cccc(c1)Cl 11a_100000220044_100015343762 [0,1,1,0,0,0|1,0,1]=4 1098 B12R1.225 CC(=O)N(C)c1cccc(c1)Cl 1626a_100000220044_100015343762 [0,1,1,0,0,0|1,0,1]=4 1099 B12R1.225 CC(=O)N(C)c1cccc(c1)Cl 22a_100000220044_100000070787 [0,1,1,0,0,0|1,0,1]=4 1100 B12R1.225 CC(=O)N(C)c1cccc(c1)F 11a_100020633736_100015343762 [0,1,1,0,0,0|1,0,1]=4 1101 B12R1.225 CC(=O)N(C)c1cccc(c1)F 1626a_100020633736_100015343762 [0,1,1,0,0,0|1,0,1]=4 1102 B12R1.225 CC(=O)N(C)c1cccc(c1)F 22a_100020633736_100000070787 [0,1,1,0,0,0|1,0,1]=4 1103 B12R1.225 CC(=O)N(C)c1cccc(c1)I 11a_100000221217_100015343762 [0,1,1,0,0,0|1,0,1]=4 1104 B12R1.225 CC(=O)N(C)c1cccc(c1)I 1626a_100000221217_100015343762 [0,1,1,0,0,0|1,0,1]=4 1105 B12R1.225 CC(=O)N(C)c1cccc(c1)I 22a_100000221217_100000070787 [0,1,1,0,0,0|1,0,1]=4 1106 B12R1.225 CC(=O)N(C)c1cccc(c1)O 527a_100000756613_100103153847 [0,1,1,0,0,0|1,0,1]=4 1107 B12R1.225 CC(=O)[C@H](C)c1cccc(c1)C 1458a_200009911544_200000210301 [0,1,1,0,0,0|0,0,2]=4 1108 B12R1.225 CC(C(=O)[13CH3])c1cccc(c1)Br 1458a_100000722698_200025704644 [0,1,1,0,0,0|0,0,2]=4 1109 B12R1.225 CC(C(=O)[13CH3])c1cccc(c1)Cl 1458a_100000762818_200025704644 [0,1,1,0,0,0|0,0,2]=4 1110 B12R1.225 CC(C(=O)[13CH3])c1cccc(c1)F 1458a_100000762896_200025704644 [0,1,1,0,0,0|0,0,2]=4 1111 B12R1.225 Cc1cccc(c1)[C@@H](C)C(=O)[13CH3] 1458a_200009911544_200025704644 [0,1,1,0,0,0|0,0,2]=4 1112 B12R1.253 CC(=O)C(C)(C)c1ccccc1 1458a_100000070787_100000034625 [0,1,1,0,0,0|0,0,2]=4 1113 B12R1.253 CC(=O)C(C)(C)c1ccccc1 1458a_100000211857_200000210301 [0,1,1,0,0,0|0,0,2]=4 1114 B12R1.253 CC(=O)[C@](C)(O)c1ccccc1 1458a_100000753667_200000210301 [0,1,1,0,0,0|0,0,2]=4 1115 B12R1.253 CC(C)(C(=O)[13CH3])c1ccccc1 1458a_100000211857_200025704644 [0,1,1,0,0,0|0,0,2]=4 1116 B12R1.253 C[C@](O)(C(=O)[13CH3])c1ccccc1 1458a_100000753667_200025704644 [0,1,1,0,0,0|0,0,2]=4 1117 B12R1.478 C=C(C)C(OC)c1ccccc1 34a_200011216824_200000210301 [0,1,1,0,0,0|1,0,1]=4 1118 B12R1.478 C=C(C)C(OC)c1ccccc1 7a_200011216824_200000210301 [0,1,1,0,0,0|1,0,1]=4 1119 B12R1.478 C=C(C)C(O[13CH3])c1ccccc1 34a_200011216824_200025704644 [0,1,1,0,0,0|1,0,1]=4 1120 B12R1.478 C=C(C)C(O[13CH3])c1ccccc1 7a_200011216824_200025704644 [0,1,1,0,0,0|1,0,1]=4 1121 B12R1.478 CC(=O)C(CO)c1ccccc1 1458a_100011218805_200000210301 [0,1,1,0,0,0|0,0,2]=4 1122 B12R1.478 CC(=O)C(S[13CH3])c1ccccc1 62a_100009888967_200025704644 [0,1,1,0,0,0|0,0,2]=4 1123 B12R1.478 CC(=O)C(S[13CH3])c1ccccc1 62a_200025704644_100009888967 [0,1,1,0,0,0|0,0,2]=4 1124 B12R1.478 CCC(C(=O)C)c1ccccc1 1458a_100000211302_200000210301 [0,1,1,0,0,0|0,0,2]=4 1125 B12R1.478 CCC(C(=O)[13CH3])c1ccccc1 1458a_100000211302_200025704644 [0,1,1,0,0,0|0,0,2]=4 1126 B12R1.478 CCN(C(=O)C)c1ccccc1 11a_100000210013_100015343762 [0,1,1,0,0,0|1,0,1]=4 1127 B12R1.478 CCN(C(=O)C)c1ccccc1 1626a_100000210013_100015343762 [0,1,1,0,0,0|1,0,1]=4 1128 B12R1.478 CCN(C(=O)C)c1ccccc1 22a_100000210013_100000070787 [0,1,1,0,0,0|1,0,1]=4 1129 B12R1.478 CNC(C(=O)C)c1ccccc1 2230a_106832991635_100009888967 [0,1,1,0,0,0|0,0,2]=4 1130 B12R1.478 CNC(C(=O)C)c1ccccc1 7a_106832991635_100009888967 [0,1,1,0,0,0|0,0,2]=4 1131 B12R1.478 CNC(C(=O)O)c1ccccc1 269956a_100000230147_200000210301 [0,1,1,0,0,0|1,0,1]=4 1132 B12R1.478 CN[C@@H](c1ccccc1)[C@H](C)O 2230a_100134616770_200000210301 [0,1,1,0,0,0|0,0,2]=4 1133 B12R1.478 CO[C@@H](C(=O)C)c1ccccc1 1458a_100000698336_200000210301 [0,1,1,0,0,0|0,0,2]=4 1134 B12R1.478 CO[C@@H](C(=O)[13CH3])c1ccccc1 1458a_100000698336_200025704644 [0,1,1,0,0,0|0,0,2]=4 1135 B12R1.478 CSC(C(=O)C)c1ccccc1 62a_100009888967_200000210301 [0,1,1,0,0,0|0,0,2]=4 1136 B12R1.478 CSC(C(=O)C)c1ccccc1 62a_200000210301_100009888967 [0,1,1,0,0,0|0,0,2]=4 1137 B12R1.478 C[C@H](O)[C@@H](N[13CH3])c1ccccc1 2230a_100134616770_200025704644 [0,1,1,0,0,0|0,0,2]=4 1138 B12R1.478 [13CH3]C(=O)C(CO)c1ccccc1 1458a_100011218805_200025704644 [0,1,1,0,0,0|0,0,2]=4 1139 B12R1.478 [13CH3]NC(C(=O)O)c1ccccc1 269956a_100000230147_200025704644 [0,1,1,0,0,0|1,0,1]=4 1140 B12R1.32 C/C(=C\c1ccccc1)/CO[13CH3] 34a_200025717232_200025704644 [0,1,1,0,0,0|1,0,1]=4 1141 B12R1.32 C/C(=C\c1ccccc1)/CO[13CH3] 7a_200025717232_200025704644 [0,1,1,0,0,0|1,0,1]=4 1142 B12R1.32 CC(CCO)Oc1ccccc1 34a_100000210340_100009893172 [0,1,1,0,0,0|0,0,2]=4 1143 B12R1.32 CC(CCO)Oc1ccccc1 7a_100000210340_100009893172 [0,1,1,0,0,0|0,0,2]=4 1144 B12R1.32 CC(CN[13CH3])Oc1ccccc1 2230a_100000755676_200025704644 [0,1,1,0,0,0|0,0,2]=4 1145 B12R1.32 CC(CN[13CH3])Oc1ccccc1 34a_100000755676_200025704644 [0,1,1,0,0,0|0,0,2]=4 1146 B12R1.32 CC(CO[13CH3])Oc1ccccc1 34a_200000036796_200025704644 [0,1,1,0,0,0|0,0,2]=4 1147 B12R1.32 CC(CO[13CH3])Oc1ccccc1 7a_200000036796_200025704644 [0,1,1,0,0,0|0,0,2]=4 1148 B12R1.32 CC=CC(=O)Cc1ccccc1 1458a_100000210699_100015291786 [0,1,1,0,0,0|2,0,0]=4 1149 B12R1.32 CC=CC(=O)Nc1ccccc1 11a_100000106764_100000210699 [0,1,1,0,0,0|2,0,0]=4 1150 B12R1.32 CC=CC(=O)Nc1ccccc1 1626a_100000106764_100000210699 [0,1,1,0,0,0|2,0,0]=4 1151 B12R1.32 CC=CC(=O)Nc1ccccc1 22a_100000106764_100000210699 [0,1,1,0,0,0|2,0,0]=4 1152 B12R1.32 CCCC(C)Oc1ccccc1 34a_100000210340_100000766640 [0,1,1,0,0,0|0,0,2]=4 1153 B12R1.32 CCCC(C)Oc1ccccc1 7a_100000210340_100000766640 [0,1,1,0,0,0|0,0,2]=4 1154 B12R1.32 CNCC(=O)Oc1ccccc1 2230a_106832991635_100009813826 [0,1,1,0,0,0|1,0,1]=4 1155 B12R1.32 CNCC(=O)Oc1ccccc1 34a_100102657272_100009813826 [0,1,1,0,0,0|1,0,1]=4 1156 B12R1.32 CNCC(=O)Oc1ccccc1 7a_106832991635_100009813826 [0,1,1,0,0,0|1,0,1]=4 1157 B12R1.32 CNCC(C)Oc1ccccc1 2230a_100000755676_200000210301 [0,1,1,0,0,0|0,0,2]=4 1158 B12R1.32 CNCC(C)Oc1ccccc1 34a_100000755676_200000210301 [0,1,1,0,0,0|0,0,2]=4 1159 B12R1.32 COC/C(=C/c1ccccc1)/C 34a_200025717232_200000210301 [0,1,1,0,0,0|1,0,1]=4 1160 B12R1.32 COC/C(=C/c1ccccc1)/C 7a_200025717232_200000210301 [0,1,1,0,0,0|1,0,1]=4 1161 B12R1.32 COCC(=O)Oc1ccccc1 34a_100138415774_100009813826 [0,1,1,0,0,0|1,0,1]=4 1162 B12R1.32 COCC(C)Oc1ccccc1 34a_100000210340_100000765312 [0,1,1,0,0,0|0,0,2]=4 1163 B12R1.32 COCC(C)Oc1ccccc1 34a_200000036796_200000210301 [0,1,1,0,0,0|0,0,2]=4 1164 B12R1.32 COCC(C)Oc1ccccc1 7a_100000210340_100000765312 [0,1,1,0,0,0|0,0,2]=4 1165 B12R1.32 COCC(C)Oc1ccccc1 7a_200000036796_200000210301 [0,1,1,0,0,0|0,0,2]=4 1166 B12R1.32 CSCC(=O)Oc1ccccc1 62a_100009813826_200000210301 [0,1,1,0,0,0|1,0,1]=4 1167 B12R1.32 CSCC(=O)Oc1ccccc1 62a_200000210301_100009813826 [0,1,1,0,0,0|1,0,1]=4 1168 B12R1.32 [13CH3]SCC(=O)Oc1ccccc1 62a_100009813826_200025704644 [0,1,1,0,0,0|1,0,1]=4 1169 B12R1.32 [13CH3]SCC(=O)Oc1ccccc1 62a_200025704644_100009813826 [0,1,1,0,0,0|1,0,1]=4 1170 B12R1.43 C/C(=C\c1ccccc1)/C(=O)[13CH3] 1458a_100016990649_200025704644 [0,1,1,0,0,0|1,0,0]=3 1171 B12R1.43 C/C(=C\c1ccccn1)/C(=O)[13CH3] 1458a_100025712827_200025704644 [0,1,1,0,0,0|2,0,0]=4 1172 B12R1.43 C=C(C)C(=O)Cc1ccccc1 1458a_100000185857_100015291786 [0,1,1,0,0,0|2,0,0]=4 1173 B12R1.43 C=C(C)C(=O)Nc1ccccc1 11a_100000106764_100000185857 [0,1,1,0,0,0|2,0,0]=4 1174 B12R1.43 C=C(C)C(=O)Nc1ccccc1 1626a_100000106764_100000185857 [0,1,1,0,0,0|2,0,0]=4 1175 B12R1.43 C=C(C)C(=O)Nc1ccccc1 22a_100000106764_100000185857 [0,1,1,0,0,0|2,0,0]=4 1176 B12R1.43 CC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_200000210301 [0,1,1,0,0,0|1,0,0]=3 1177 B12R1.43 CC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_200000210301 [0,1,1,0,0,0|2,0,0]=4 1178 B12R1.43 CC(=O)/C(=C/c1ccccn1)/C 1458a_100025712827_200000210301 [0,1,1,0,0,0|2,0,0]=4 1179 B12R1.43 CC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_200000210301 [0,1,1,0,0,0|2,0,0]=4 1180 B12R1.43 CC(=O)C(=O)Nc1ccccc1 1458a_100000738435_200000210301 [0,1,1,0,0,0|2,0,0]=4 1181 B12R1.43 CC(=O)C(C)Cc1ccccc1 1458a_100000070787_200011218536 [0,1,1,0,0,0|1,0,1]=4 1182 B12R1.43 CC(=O)C(C)Cc1ccccc1 1458a_100000754839_200000210301 [0,1,1,0,0,0|1,0,1]=4 1183 B12R1.43 CC(=O)C(C)Oc1ccccc1 1458a_100000188414_200000210301 [0,1,1,0,0,0|0,0,1]=3 1184 B12R1.43 CC(=O)C(C)Oc1ccccc1 7a_100000210340_100000179758 [0,1,1,0,0,0|0,0,1]=3 1185 B12R1.43 CC(=O)C(C)Oc1cccnc1 7a_100000210849_100000179758 [0,1,1,0,0,0|1,0,1]=4 1186 B12R1.43 CC(=O)C(C)Sc1ccccc1 1458a_100000199063_200000210301 [0,1,1,0,0,0|0,1,1]=4 1187 B12R1.43 CC(=O)C(C)Sc1ccccc1 62a_100000719477_100009814033 [0,1,1,0,0,0|0,1,1]=4 1188 B12R1.43 CC(=O)C(C)Sc1ccccc1 62a_100009814033_100000041952 [0,1,1,0,0,0|0,1,1]=4 1189 B12R1.43 CC(=O)N(C)Cc1ccccc1 11a_100000186898_100015343762 [0,1,1,0,0,0|2,0,0]=4 1190 B12R1.43 CC(=O)N(C)Cc1ccccc1 1626a_100000186898_100015343762 [0,1,1,0,0,0|2,0,0]=4 1191 B12R1.43 CC(=O)N(C)Cc1ccccc1 240690a_100000186898_100015343762 [0,1,1,0,0,0|2,0,0]=4 1192 B12R1.43 CC(=O)N(C)Cc1ccccc1 527a_100000186898_100103153847 [0,1,1,0,0,0|2,0,0]=4 1193 B12R1.43 CC(Cc1ccccc1)C(=O)[13CH3] 1458a_100000754839_200025704644 [0,1,1,0,0,0|1,0,1]=4 1194 B12R1.43 CC(Oc1ccccc1)C(=O)N 34a_100000210340_100000702099 [0,1,1,0,0,0|1,0,1]=4 1195 B12R1.43 CC(Oc1ccccc1)C(=O)N 7a_100000210340_100000702099 [0,1,1,0,0,0|1,0,1]=4 1196 B12R1.43 CC(Oc1ccccc1)C(=O)[13CH3] 1458a_100000188414_200025704644 [0,1,1,0,0,0|0,0,1]=3 1197 B12R1.43 CC(Sc1ccccc1)C(=O)[13CH3] 1458a_100000199063_200025704644 [0,1,1,0,0,0|0,1,1]=4 1198 B12R1.43 [13CH3]C(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_200025704644 [0,1,1,0,0,0|2,0,0]=4 1199 B12R1.43 [13CH3]C(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_200025704644 [0,1,1,0,0,0|2,0,0]=4 1200 B12R1.43 [13CH3]C(=O)C(=O)Nc1ccccc1 1458a_100000738435_200025704644 [0,1,1,0,0,0|2,0,0]=4 1201 B12R1.49 CCC(=O)Oc1ccc(cc1)O 271570a_203496583355_200009811598 [0,1,1,0,0,0|1,0,1]=4 1202 B12R1.49 CCC(C)Oc1ccc(cc1)Br 34a_100000185759_100011215416 [0,1,1,0,0,0|0,0,2]=4 1203 B12R1.49 CCC(C)Oc1ccc(cc1)Br 7a_100000185759_100000758301 [0,1,1,0,0,0|0,0,2]=4 1204 B12R1.49 CCC(C)Oc1ccc(cc1)C 34a_100000210336_100011215416 [0,1,1,0,0,0|0,0,2]=4 1205 B12R1.49 CCC(C)Oc1ccc(cc1)C 7a_100000210336_100000758301 [0,1,1,0,0,0|0,0,2]=4 1206 B12R1.49 CCC(C)Oc1ccc(cc1)Cl 34a_100000210216_100011215416 [0,1,1,0,0,0|0,0,2]=4 1207 B12R1.49 CCC(C)Oc1ccc(cc1)Cl 7a_100000210216_100000758301 [0,1,1,0,0,0|0,0,2]=4 1208 B12R1.49 CCC(C)Oc1ccc(cc1)F 34a_100000210339_100011215416 [0,1,1,0,0,0|0,0,2]=4 1209 B12R1.49 CCC(C)Oc1ccc(cc1)I 34a_100000212066_100011215416 [0,1,1,0,0,0|0,0,2]=4 1210 B12R1.49 CCC(C)Oc1ccc(cc1)I 7a_100000212066_100000758301 [0,1,1,0,0,0|0,0,2]=4 1211 B12R1.49 CCC(C)Oc1ccc(cc1)N 34a_100000185829_100011215416 [0,1,1,0,0,0|0,0,2]=4 1212 B12R1.50 CCC(C)Oc1cccc(c1)Br 34a_100000210342_100011215416 [0,1,1,0,0,0|0,0,2]=4 1213 B12R1.50 CCC(C)Oc1cccc(c1)Br 7a_100000210342_100000758301 [0,1,1,0,0,0|0,0,2]=4 1214 B12R1.50 CCC(C)Oc1cccc(c1)C 34a_100000210337_100011215416 [0,1,1,0,0,0|0,0,2]=4 1215 B12R1.50 CCC(C)Oc1cccc(c1)C 7a_100000210337_100000758301 [0,1,1,0,0,0|0,0,2]=4 1216 B12R1.50 CCC(C)Oc1cccc(c1)Cl 34a_100000210295_100011215416 [0,1,1,0,0,0|0,0,2]=4 1217 B12R1.50 CCC(C)Oc1cccc(c1)Cl 7a_100000210295_100000758301 [0,1,1,0,0,0|0,0,2]=4 1218 B12R1.50 CCC(C)Oc1cccc(c1)F 34a_100000210426_100011215416 [0,1,1,0,0,0|0,0,2]=4 1219 B12R1.50 CCC(C)Oc1cccc(c1)F 7a_100000210426_100000758301 [0,1,1,0,0,0|0,0,2]=4 1220 B12R1.50 CCC(C)Oc1cccc(c1)I 34a_100000211634_100011215416 [0,1,1,0,0,0|0,0,2]=4 1221 B12R1.50 CCC(C)Oc1cccc(c1)I 7a_100000211634_100000758301 [0,1,1,0,0,0|0,0,2]=4 1222 B12R1.50 CCC(C)Oc1cccc(c1)N 34a_100000210217_100011215416 [0,1,1,0,0,0|0,0,2]=4 1223 B12R1.50 CCC(C)Oc1cccc(c1)O 271570a_203496583355_200011236628 [0,1,1,0,0,0|0,0,2]=4 1224 B12R1.118 CCC(CC)Oc1ccccc1 7a_100000210340_100000210505 [0,1,1,0,0,0|0,0,2]=4 1225 B12R1.194 CCC(C)(C)Oc1ccccc1 7a_100000210340_100000210677 [0,1,1,0,0,0|0,0,2]=4 1226 B12R1.371 CCC(C)Oc1ccccc1Br 34a_100000181306_100011215416 [0,1,1,0,0,0|0,0,2]=4 1227 B12R1.371 CCC(C)Oc1ccccc1Br 7a_100000181306_100000758301 [0,1,1,0,0,0|0,0,2]=4 1228 B12R1.371 CCC(C)Oc1ccccc1C 34a_100000210338_100011215416 [0,1,1,0,0,0|0,0,2]=4 1229 B12R1.371 CCC(C)Oc1ccccc1C 7a_100000210338_100000758301 [0,1,1,0,0,0|0,0,2]=4 1230 B12R1.371 CCC(C)Oc1ccccc1Cl 34a_100000210172_100011215416 [0,1,1,0,0,0|0,0,2]=4 1231 B12R1.371 CCC(C)Oc1ccccc1Cl 7a_100000210172_100000758301 [0,1,1,0,0,0|0,0,2]=4 1232 B12R1.371 CCC(C)Oc1ccccc1F 34a_100000210171_100011215416 [0,1,1,0,0,0|0,0,2]=4 1233 B12R1.371 CCC(C)Oc1ccccc1F 7a_100000210171_100000758301 [0,1,1,0,0,0|0,0,2]=4 1234 B12R1.371 CCC(C)Oc1ccccc1I 34a_100000739446_100011215416 [0,1,1,0,0,0|0,0,2]=4 1235 B12R1.371 CCC(C)Oc1ccccc1I 7a_100000739446_100000758301 [0,1,1,0,0,0|0,0,2]=4 1236 B12R1.371 CCC(C)Oc1ccccc1N 34a_100000185747_100011215416 [0,1,1,0,0,0|0,0,2]=4 1237 B12R1.371 CCC(C)Oc1ccccc1N 7a_100000185747_100000758301 [0,1,1,0,0,0|0,0,2]=4 1238 B12R1.75 C=Cc1ccccc1CC(=O)C 271570a_100011290941_100011350739 [0,1,1,0,0,0|1,0,1]=4 1239 B12R1.75 C=Cc1ccccc1NC(=O)C 11a_100012022501_100015343762 [0,1,1,0,0,0|1,0,1]=4 1240 B12R1.75 C=Cc1ccccc1NC(=O)C 1626a_100012022501_100015343762 [0,1,1,0,0,0|1,0,1]=4 1241 B12R1.75 C=Cc1ccccc1NC(=O)C 22a_100012022501_100000070787 [0,1,1,0,0,0|1,0,1]=4 1242 B12R1.75 C=Cc1ccccc1NC(=O)C 271570a_100011290941_100000153524 [0,1,1,0,0,0|1,0,1]=4 1243 B12R1.75 C=Cc1ccccc1OC(=O)C 271570a_100011290941_100000051690 [0,1,1,0,0,0|0,0,1]=3 1244 B12R1.75 C=Cc1ccccc1OC(C)C 271570a_100011290941_100000173919 [0,1,1,0,0,0|0,0,2]=4 1245 B12R1.75 C=Cc1ncccc1OC(=O)C 271570a_100011290941_200009815371 [0,1,1,0,0,0|1,0,1]=4 1246 B12R1.75 CC(=Cc1ccccc1C=O)C 271570a_100102525489_100000211189 [0,1,1,0,0,0|2,0,0]=4 1247 B12R1.75 CC(=O)Cc1ccccc1C=O 1458a_100000070787_200009853537 [0,1,1,0,0,0|2,0,0]=4 1248 B12R1.75 CC(=O)Cc1ccccc1S[13CH3] 62a_100011350739_200025704644 [0,1,1,0,0,0|2,0,0]=4 1249 B12R1.75 CC(=O)Cc1ccccc1S[13CH3] 62a_200025704644_100011350739 [0,1,1,0,0,0|2,0,0]=4 1250 B12R1.75 CC(=O)Nc1ccccc1N[13CH3] 34a_100011193560_200025704644 [0,1,1,0,0,0|2,0,0]=4 1251 B12R1.75 CC(=O)Nc1ccccc1O[13CH3] 34a_100000185124_200025704644 [0,1,1,0,0,0|2,0,0]=4 1252 B12R1.75 CC(=O)Nc1ccccc1O[13CH3] 7a_100000185124_200025704644 [0,1,1,0,0,0|2,0,0]=4 1253 B12R1.75 CC(=O)Nc1ccccc1S[13CH3] 62a_200025704644_100000153524 [0,1,1,0,0,0|2,0,0]=4 1254 B12R1.75 CC(=O)Oc1ccccc1S[13CH3] 62a_100000051690_200025704644 [0,1,1,0,0,0|1,0,0]=3 1255 B12R1.75 CC(=O)Oc1ccccc1S[13CH3] 62a_200025704644_100000051690 [0,1,1,0,0,0|1,0,0]=3 1256 B12R1.75 CC(=O)Oc1cccnc1S[13CH3] 62a_200009815371_200025704644 [0,1,1,0,0,0|2,0,0]=4 1257 B12R1.75 CC(=O)Oc1cccnc1S[13CH3] 62a_200025704644_200009815371 [0,1,1,0,0,0|2,0,0]=4 1258 B12R1.75 CC(C)Oc1ccccc1N[13CH3] 2230a_100000739276_200025704644 [0,1,1,0,0,0|1,0,1]=4 1259 B12R1.75 CC(C)Oc1ccccc1N[13CH3] 34a_100000739276_200025704644 [0,1,1,0,0,0|1,0,1]=4 1260 B12R1.75 CC(C)Oc1ccccc1O[13CH3] 34a_100011218612_200025704644 [0,1,1,0,0,0|1,0,1]=4 1261 B12R1.75 CC(C)Oc1ccccc1O[13CH3] 7a_100011218612_200025704644 [0,1,1,0,0,0|1,0,1]=4 1262 B12R1.75 CC(C)Oc1ccccc1S[13CH3] 62a_100000173919_200025704644 [0,1,1,0,0,0|1,0,1]=4 1263 B12R1.75 CC(C)Oc1ccccc1S[13CH3] 62a_200025704644_100000173919 [0,1,1,0,0,0|1,0,1]=4 1264 B12R1.75 CCc1ccccc1C=C(C)C 271570a_100102525489_100011215823 [0,1,1,0,0,0|1,0,1]=4 1265 B12R1.75 CCc1ccccc1NC(=O)C 11a_100000212081_100015343762 [0,1,1,0,0,0|1,0,1]=4 1266 B12R1.75 CCc1ccccc1NC(=O)C 1626a_100000212081_100015343762 [0,1,1,0,0,0|1,0,1]=4 1267 B12R1.75 CCc1ccccc1NC(=O)C 22a_100000212081_100000070787 [0,1,1,0,0,0|1,0,1]=4 1268 B12R1.75 CCc1ccccc1NC(=O)C 527a_100000212081_100103153847 [0,1,1,0,0,0|1,0,1]=4 1269 B12R1.75 CCc1ccccc1OC(C)C 34a_100000210936_100000210206 [0,1,1,0,0,0|0,0,2]=4 1270 B12R1.75 CCc1ccccc1OC(C)C 7a_100000210936_100000210206 [0,1,1,0,0,0|0,0,2]=4 1271 B12R1.75 CNc1ccccc1C=C(C)C 271570a_100102525489_100020606079 [0,1,1,0,0,0|2,0,0]=4 1272 B12R1.75 CNc1ccccc1NC(=O)C 34a_100011193560_200000210301 [0,1,1,0,0,0|2,0,0]=4 1273 B12R1.75 CNc1ccccc1OC(C)C 2230a_100000739276_200000210301 [0,1,1,0,0,0|1,0,1]=4 1274 B12R1.75 CNc1ccccc1OC(C)C 34a_100000033821_100000210206 [0,1,1,0,0,0|1,0,1]=4 1275 B12R1.75 CNc1ccccc1OC(C)C 34a_100000739276_200000210301 [0,1,1,0,0,0|1,0,1]=4 1276 B12R1.75 COc1ccccc1C=C(C)C 271570a_100102525489_100000174000 [0,1,1,0,0,0|2,0,0]=4 1277 B12R1.75 COc1ccccc1CC(=O)C 1458a_100000070787_100000210004 [0,1,1,0,0,0|2,0,0]=4 1278 B12R1.75 COc1ccccc1CC(=O)C 1458a_100000211604_200000210301 [0,1,1,0,0,0|2,0,0]=4 1279 B12R1.75 COc1ccccc1CC(=O)[13CH3] 1458a_100000211604_200025704644 [0,1,1,0,0,0|2,0,0]=4 1280 B12R1.75 COc1ccccc1NC(=O)C 11a_100000210025_100015343762 [0,1,1,0,0,0|2,0,0]=4 1281 B12R1.75 COc1ccccc1NC(=O)C 1626a_100000210025_100015343762 [0,1,1,0,0,0|2,0,0]=4 1282 B12R1.75 COc1ccccc1NC(=O)C 22a_100000210025_100000070787 [0,1,1,0,0,0|2,0,0]=4 1283 B12R1.75 COc1ccccc1NC(=O)C 34a_100000185124_200000210301 [0,1,1,0,0,0|2,0,0]=4 1284 B12R1.75 COc1ccccc1NC(=O)C 527a_100000210025_100103153847 [0,1,1,0,0,0|2,0,0]=4 1285 B12R1.75 COc1ccccc1NC(=O)C 7a_100000185124_200000210301 [0,1,1,0,0,0|2,0,0]=4 1286 B12R1.75 COc1ccccc1OC(C)C 34a_100000210385_100000210206 [0,1,1,0,0,0|1,0,1]=4 1287 B12R1.75 COc1ccccc1OC(C)C 34a_100011218612_200000210301 [0,1,1,0,0,0|1,0,1]=4 1288 B12R1.75 COc1ccccc1OC(C)C 7a_100011218612_200000210301 [0,1,1,0,0,0|1,0,1]=4 1289 B12R1.75 CSc1ccccc1C=C(C)C 271570a_100102525489_100011217816 [0,1,1,0,0,0|2,0,0]=4 1290 B12R1.75 CSc1ccccc1CC(=O)C 1458a_100000070787_100000699184 [0,1,1,0,0,0|2,0,0]=4 1291 B12R1.75 CSc1ccccc1CC(=O)C 62a_100011350739_200000210301 [0,1,1,0,0,0|2,0,0]=4 1292 B12R1.75 CSc1ccccc1CC(=O)C 62a_200000210301_100011350739 [0,1,1,0,0,0|2,0,0]=4 1293 B12R1.75 CSc1ccccc1NC(=O)C 11a_100000211160_100015343762 [0,1,1,0,0,0|2,0,0]=4 1294 B12R1.75 CSc1ccccc1NC(=O)C 22a_100000211160_100000070787 [0,1,1,0,0,0|2,0,0]=4 1295 B12R1.75 CSc1ccccc1NC(=O)C 62a_200000210301_100000153524 [0,1,1,0,0,0|2,0,0]=4 1296 B12R1.75 CSc1ccccc1OC(=O)C 62a_100000051690_200000210301 [0,1,1,0,0,0|1,0,0]=3 1297 B12R1.75 CSc1ccccc1OC(=O)C 62a_200000210301_100000051690 [0,1,1,0,0,0|1,0,0]=3 1298 B12R1.75 CSc1ccccc1OC(C)C 34a_100011216402_100000210206 [0,1,1,0,0,0|1,0,1]=4 1299 B12R1.75 CSc1ccccc1OC(C)C 62a_100000173919_200000210301 [0,1,1,0,0,0|1,0,1]=4 1300 B12R1.75 CSc1ccccc1OC(C)C 62a_200000210301_100000173919 [0,1,1,0,0,0|1,0,1]=4 1301 B12R1.75 CSc1ncccc1OC(=O)C 62a_200000210301_200009815371 [0,1,1,0,0,0|2,0,0]=4 1302 B12R1.75 CSc1ncccc1OC(=O)C 62a_200009815371_200000210301 [0,1,1,0,0,0|2,0,0]=4 1303 B12R1.112 C=Cc1cc(ccc1OCC)C 271570a_100011290941_200000230997 [0,1,1,0,0,0|0,0,2]=4 1304 B12R1.112 C=Cc1cc(ccc1OCC)F 271570a_100011290941_100000171695 [0,1,1,0,0,0|0,0,2]=4 1305 B12R1.112 CC=Cc1ccc(cc1C=O)Br 271570a_100016259895_100010185651 [0,1,1,0,0,0|2,0,0]=4 1306 B12R1.112 CC=Cc1ccc(cc1C=O)C 271570a_100016259895_100011551863 [0,1,1,0,0,0|2,0,0]=4 1307 B12R1.112 CC=Cc1ccc(cc1C=O)Cl 271570a_100016259895_100010254386 [0,1,1,0,0,0|2,0,0]=4 1308 B12R1.112 CC=Cc1ccc(cc1C=O)F 271570a_100016259895_100011218309 [0,1,1,0,0,0|2,0,0]=4 1309 B12R1.112 CC=Cc1ccc(cc1C=O)O 271570a_100016259895_100000690577 [0,1,1,0,0,0|2,0,0]=4 1310 B12R1.112 CC=Cc1ccc(cc1CC)Br 271570a_100016259895_100011216195 [0,1,1,0,0,0|1,0,1]=4 1311 B12R1.112 CC=Cc1ccc(cc1CC)N 271570a_100016259895_100010109747 [0,1,1,0,0,0|1,0,1]=4 1312 B12R1.112 CC=Cc1ccc(cc1NC)F 271570a_100016259895_100020633008 [0,1,1,0,0,0|2,0,0]=4 1313 B12R1.112 CC=Cc1ccc(cc1OC)Br 271570a_100016259895_100010245111 [0,1,1,0,0,0|2,0,0]=4 1314 B12R1.112 CC=Cc1ccc(cc1OC)C 271570a_100016259895_100010200004 [0,1,1,0,0,0|2,0,0]=4 1315 B12R1.112 CC=Cc1ccc(cc1OC)Cl 271570a_100016259895_100000050115 [0,1,1,0,0,0|2,0,0]=4 1316 B12R1.112 CC=Cc1ccc(cc1OC)F 271570a_100016259895_100000757151 [0,1,1,0,0,0|2,0,0]=4 1317 B12R1.112 CC=Cc1ccc(cc1OC)N 271570a_100016259895_100000765947 [0,1,1,0,0,0|2,0,0]=4 1318 B12R1.112 CC=Cc1ccc(cc1OC)O 271570a_100016259895_100011827694 [0,1,1,0,0,0|2,0,0]=4 1319 B12R1.112 CC=Cc1ccc(cc1SC)C 271570a_100016259895_200010709736 [0,1,1,0,0,0|2,0,0]=4 1320 B12R1.112 CCOc1ccc(cc1C=O)O 271570a_203496583355_100000170027 [0,1,1,0,0,0|1,0,1]=4 1321 B12R1.112 CCOc1ccc(cc1CC)Br 34a_100012338938_100000210202 [0,1,1,0,0,0|0,0,2]=4 1322 B12R1.112 CCOc1ccc(cc1CC)Br 7a_100012338938_100000210202 [0,1,1,0,0,0|0,0,2]=4 1323 B12R1.112 CCOc1ccc(cc1CC)C 34a_100009844793_100000210202 [0,1,1,0,0,0|0,0,2]=4 1324 B12R1.112 CCOc1ccc(cc1CC)C 7a_100009844793_100000210202 [0,1,1,0,0,0|0,0,2]=4 1325 B12R1.112 CCOc1ccc(cc1CC)F 34a_200000035566_100000210202 [0,1,1,0,0,0|0,0,2]=4 1326 B12R1.112 CCOc1ccc(cc1CC)F 7a_200000035566_100000210202 [0,1,1,0,0,0|0,0,2]=4 1327 B12R1.112 CCOc1ccc(cc1CC)O 271570a_203496583355_200010070707 [0,1,1,0,0,0|0,0,2]=4 1328 B12R1.112 CCOc1ccc(cc1NC)Br 2230a_100000751366_200000210301 [0,1,1,0,0,0|1,0,1]=4 1329 B12R1.112 CCOc1ccc(cc1NC)Br 34a_100000751366_200000210301 [0,1,1,0,0,0|1,0,1]=4 1330 B12R1.112 CCOc1ccc(cc1NC)C 2230a_100011202655_200000210301 [0,1,1,0,0,0|1,0,1]=4 1331 B12R1.112 CCOc1ccc(cc1NC)C 34a_100011202655_200000210301 [0,1,1,0,0,0|1,0,1]=4 1332 B12R1.112 CCOc1ccc(cc1NC)Cl 2230a_100000742605_200000210301 [0,1,1,0,0,0|1,0,1]=4 1333 B12R1.112 CCOc1ccc(cc1NC)Cl 34a_100000742605_200000210301 [0,1,1,0,0,0|1,0,1]=4 1334 B12R1.112 CCOc1ccc(cc1N[13CH3])Br 2230a_100000751366_200025704644 [0,1,1,0,0,0|1,0,1]=4 1335 B12R1.112 CCOc1ccc(cc1N[13CH3])Br 34a_100000751366_200025704644 [0,1,1,0,0,0|1,0,1]=4 1336 B12R1.112 CCOc1ccc(cc1N[13CH3])C 2230a_100011202655_200025704644 [0,1,1,0,0,0|1,0,1]=4 1337 B12R1.112 CCOc1ccc(cc1N[13CH3])C 34a_100011202655_200025704644 [0,1,1,0,0,0|1,0,1]=4 1338 B12R1.112 CCOc1ccc(cc1N[13CH3])Cl 2230a_100000742605_200025704644 [0,1,1,0,0,0|1,0,1]=4 1339 B12R1.112 CCOc1ccc(cc1N[13CH3])Cl 34a_100000742605_200025704644 [0,1,1,0,0,0|1,0,1]=4 1340 B12R1.112 CCOc1ccc(cc1OC)Br 34a_100000694246_100000210202 [0,1,1,0,0,0|1,0,1]=4 1341 B12R1.112 CCOc1ccc(cc1OC)Br 7a_100000694246_100000210202 [0,1,1,0,0,0|1,0,1]=4 1342 B12R1.112 CCOc1ccc(cc1OC)C 34a_100000186466_100000210202 [0,1,1,0,0,0|1,0,1]=4 1343 B12R1.112 CCOc1ccc(cc1OC)Cl 34a_100000033002_100000210202 [0,1,1,0,0,0|1,0,1]=4 1344 B12R1.112 CCOc1ccc(cc1OC)F 34a_100000036057_100000210202 [0,1,1,0,0,0|1,0,1]=4 1345 B12R1.112 CCOc1ccc(cc1OC)F 7a_100000036057_100000210202 [0,1,1,0,0,0|1,0,1]=4 1346 B12R1.112 CCOc1ccc(cc1OC)I 34a_100000049635_100000210202 [0,1,1,0,0,0|1,0,1]=4 1347 B12R1.112 CCOc1ccc(cc1OC)N 34a_100000726020_100000210202 [0,1,1,0,0,0|1,0,1]=4 1348 B12R1.112 CCOc1ccc(cc1OC)O 271570a_203496583355_200012344064 [0,1,1,0,0,0|1,0,1]=4 1349 B12R1.112 CCOc1ccc(cc1SC)C 62a_200000210301_200000230997 [0,1,1,0,0,0|1,0,1]=4 1350 B12R1.112 CCOc1ccc(cc1SC)C 62a_200000230997_200000210301 [0,1,1,0,0,0|1,0,1]=4 1351 B12R1.112 CCOc1ccc(cc1SC)F 62a_100000171695_200000210301 [0,1,1,0,0,0|1,0,1]=4 1352 B12R1.112 CCOc1ccc(cc1SC)F 62a_200000210301_100000171695 [0,1,1,0,0,0|1,0,1]=4 1353 B12R1.112 CCOc1ccc(cc1S[13CH3])C 62a_200000230997_200025704644 [0,1,1,0,0,0|1,0,1]=4 1354 B12R1.112 CCOc1ccc(cc1S[13CH3])C 62a_200025704644_200000230997 [0,1,1,0,0,0|1,0,1]=4 1355 B12R1.112 CCOc1ccc(cc1S[13CH3])F 62a_100000171695_200025704644 [0,1,1,0,0,0|1,0,1]=4 1356 B12R1.112 CCOc1ccc(cc1S[13CH3])F 62a_200025704644_100000171695 [0,1,1,0,0,0|1,0,1]=4 1357 B12R1.121 C=CCOc1ccccc1CC 34a_100000210936_100015514636 [0,1,1,0,0,0|0,0,2]=4 1358 B12R1.121 C=CCOc1ccccc1CC 7a_100000210936_100015514636 [0,1,1,0,0,0|0,0,2]=4 1359 B12R1.121 C=CCOc1ccccc1NC 34a_100000033821_100015514636 [0,1,1,0,0,0|1,0,1]=4 1360 B12R1.121 C=CCOc1ccccc1OC 34a_100000210385_100015514636 [0,1,1,0,0,0|1,0,1]=4 1361 B12R1.121 C=CCOc1ccccc1OC 34a_200011262142_200000210301 [0,1,1,0,0,0|1,0,1]=4 1362 B12R1.121 C=CCOc1ccccc1OC 7a_200011262142_200000210301 [0,1,1,0,0,0|1,0,1]=4 1363 B12R1.121 C=CCOc1ccccc1O[13CH3] 34a_200011262142_200025704644 [0,1,1,0,0,0|1,0,1]=4 1364 B12R1.121 C=CCOc1ccccc1O[13CH3] 7a_200011262142_200025704644 [0,1,1,0,0,0|1,0,1]=4 1365 B12R1.121 C=CCOc1ccccc1SC 34a_100011216402_100015514636 [0,1,1,0,0,0|1,0,1]=4 1366 B12R1.121 C=Cc1ccccc1COCC 271570a_100011290941_200011493690 [0,1,1,0,0,0|0,0,2]=4 1367 B12R1.121 C=Cc1ccccc1COCC 34a_200010883148_100000210202 [0,1,1,0,0,0|0,0,2]=4 1368 B12R1.121 C=Cc1ccccc1COCC 7a_200010883148_100000210202 [0,1,1,0,0,0|0,0,2]=4 1369 B12R1.121 C=Cc1ccccc1OCCC 271570a_100011290941_100000174042 [0,1,1,0,0,0|0,0,2]=4 1370 B12R1.121 C=Cc1ccccc1OCCN 271570a_100011290941_100000744007 [0,1,1,0,0,0|0,0,2]=4 1371 B12R1.121 C=Cc1ccccc1OCCO 271570a_100011290941_100000230753 [0,1,1,0,0,0|0,0,2]=4 1372 B12R1.121 C=Cc1ccccc1OCOC 271570a_100011290941_200000230759 [0,1,1,0,0,0|0,0,2]=4 1373 B12R1.121 CC=NNc1ccccc1CC 4a_100000737054_200000210099 [0,1,1,0,0,0|1,0,1]=4 1374 B12R1.121 CC=NNc1ccccc1OC 4a_100000751209_200000210099 [0,1,1,0,0,0|2,0,0]=4 1375 B12R1.121 CCCOc1ccccc1CC 34a_100000210936_100000210303 [0,1,1,0,0,0|0,0,2]=4 1376 B12R1.121 CCCOc1ccccc1CC 7a_100000210936_100000210303 [0,1,1,0,0,0|0,0,2]=4 1377 B12R1.121 CCCOc1ccccc1NC 27a_100102657272_100000174042 [0,1,1,0,0,0|1,0,1]=4 1378 B12R1.121 CCCOc1ccccc1NC 34a_100000033821_100000210303 [0,1,1,0,0,0|1,0,1]=4 1379 B12R1.121 CCCOc1ccccc1NC 34a_100000683936_200000210301 [0,1,1,0,0,0|1,0,1]=4 1380 B12R1.121 CCCOc1ccccc1N[13CH3] 34a_100000683936_200025704644 [0,1,1,0,0,0|1,0,1]=4 1381 B12R1.121 CCCOc1ccccc1OC 34a_100000180214_200000210301 [0,1,1,0,0,0|1,0,1]=4 1382 B12R1.121 CCCOc1ccccc1OC 34a_100000210385_100000210303 [0,1,1,0,0,0|1,0,1]=4 1383 B12R1.121 CCCOc1ccccc1OC 7a_100000180214_200000210301 [0,1,1,0,0,0|1,0,1]=4 1384 B12R1.121 CCCOc1ccccc1O[13CH3] 34a_100000180214_200025704644 [0,1,1,0,0,0|1,0,1]=4 1385 B12R1.121 CCCOc1ccccc1O[13CH3] 7a_100000180214_200025704644 [0,1,1,0,0,0|1,0,1]=4 1386 B12R1.121 CCCOc1ccccc1SC 34a_100011216402_100000210303 [0,1,1,0,0,0|1,0,1]=4 1387 B12R1.121 CCCOc1ccccc1SC 62a_100000174042_200000210301 [0,1,1,0,0,0|1,0,1]=4 1388 B12R1.121 CCCOc1ccccc1SC 62a_200000210301_100000174042 [0,1,1,0,0,0|1,0,1]=4 1389 B12R1.121 CCCOc1ccccc1S[13CH3] 62a_100000174042_200025704644 [0,1,1,0,0,0|1,0,1]=4 1390 B12R1.121 CCCOc1ccccc1S[13CH3] 62a_200025704644_100000174042 [0,1,1,0,0,0|1,0,1]=4 1391 B12R1.121 CCOCc1ccccc1C=O 34a_100121572206_200009853537 [0,1,1,0,0,0|1,0,1]=4 1392 B12R1.121 CCOCc1ccccc1CC 34a_100011663872_100000210202 [0,1,1,0,0,0|0,0,2]=4 1393 B12R1.121 CCOCc1ccccc1CC 7a_100011663872_100000210202 [0,1,1,0,0,0|0,0,2]=4 1394 B12R1.121 CCOCc1ccccc1OC 34a_100000211301_100000210202 [0,1,1,0,0,0|1,0,1]=4 1395 B12R1.121 CCOCc1ccccc1OC 34a_100121572206_100000210004 [0,1,1,0,0,0|1,0,1]=4 1396 B12R1.121 CCOCc1ccccc1SC 34a_100000699167_100000210202 [0,1,1,0,0,0|1,0,1]=4 1397 B12R1.121 CCOCc1ccccc1SC 34a_100121572206_100000699184 [0,1,1,0,0,0|1,0,1]=4 1398 B12R1.121 CCOCc1ccccc1SC 62a_200000210301_200011493690 [0,1,1,0,0,0|1,0,1]=4 1399 B12R1.121 CCOCc1ccccc1SC 62a_200011493690_200000210301 [0,1,1,0,0,0|1,0,1]=4 1400 B12R1.121 CCOCc1ccccc1S[13CH3] 62a_200011493690_200025704644 [0,1,1,0,0,0|1,0,1]=4 1401 B12R1.121 CCOCc1ccccc1S[13CH3] 62a_200025704644_200011493690 [0,1,1,0,0,0|1,0,1]=4 1402 B12R1.121 CCc1ccccc1OCC=O 34a_100000210936_200009817547 [0,1,1,0,0,0|1,0,1]=4 1403 B12R1.121 CCc1ccccc1OCC=O 7a_100000210936_200015260668 [0,1,1,0,0,0|1,0,1]=4 1404 B12R1.121 CCc1ccccc1OCCF 34a_100000210936_100011217306 [0,1,1,0,0,0|0,0,2]=4 1405 B12R1.121 CCc1ccccc1OCCF 7a_100000210936_100011217306 [0,1,1,0,0,0|0,0,2]=4 1406 B12R1.121 CCc1ccccc1OCCO 34a_100000210936_100000211926 [0,1,1,0,0,0|0,0,2]=4 1407 B12R1.121 CCc1ccccc1OCCO 7a_100000210936_100000211926 [0,1,1,0,0,0|0,0,2]=4 1408 B12R1.121 CCc1ccccc1OCSC 34a_100000210936_100011218213 [0,1,1,0,0,0|0,0,2]=4 1409 B12R1.121 CNc1ccccc1OCC=O 34a_100000033821_200009817547 [0,1,1,0,0,0|2,0,0]=4 1410 B12R1.121 CNc1ccccc1OCCF 34a_100000033821_100011217306 [0,1,1,0,0,0|1,0,1]=4 1411 B12R1.121 CNc1ccccc1OCCF 34a_100012000959_200000210301 [0,1,1,0,0,0|1,0,1]=4 1412 B12R1.121 CNc1ccccc1OCCO 34a_100000033821_100000211926 [0,1,1,0,0,0|1,0,1]=4 1413 B12R1.121 CNc1ccccc1OCCO 34a_100132302172_200000210301 [0,1,1,0,0,0|1,0,1]=4 1414 B12R1.121 CNc1ccccc1OCSC 34a_100000033821_100011218213 [0,1,1,0,0,0|1,0,1]=4 1415 B12R1.121 COCOc1ccccc1SC 62a_200000210301_200000230759 [0,1,1,0,0,0|1,0,1]=4 1416 B12R1.121 COCOc1ccccc1SC 62a_200000230759_200000210301 [0,1,1,0,0,0|1,0,1]=4 1417 B12R1.121 COCOc1ccccc1S[13CH3] 62a_200000230759_200025704644 [0,1,1,0,0,0|1,0,1]=4 1418 B12R1.121 COCOc1ccccc1S[13CH3] 62a_200025704644_200000230759 [0,1,1,0,0,0|1,0,1]=4 1419 B12R1.121 COc1ccccc1OCC=O 34a_100000210385_200009817547 [0,1,1,0,0,0|2,0,0]=4 1420 B12R1.121 COc1ccccc1OCCF 34a_100000210385_100011217306 [0,1,1,0,0,0|1,0,1]=4 1421 B12R1.121 COc1ccccc1OCCO 34a_100000181789_200000210301 [0,1,1,0,0,0|1,0,1]=4 1422 B12R1.121 COc1ccccc1OCCO 34a_100000210385_100000211926 [0,1,1,0,0,0|1,0,1]=4 1423 B12R1.121 COc1ccccc1OCCO 7a_100000181789_200000210301 [0,1,1,0,0,0|1,0,1]=4 1424 B12R1.121 COc1ccccc1OCSC 34a_100000210385_100011218213 [0,1,1,0,0,0|1,0,1]=4 1425 B12R1.121 CSCOc1ccccc1SC 34a_100011216402_100011218213 [0,1,1,0,0,0|1,0,1]=4 1426 B12R1.121 CSc1ccccc1OCC=O 34a_100011216402_200009817547 [0,1,1,0,0,0|2,0,0]=4 1427 B12R1.121 CSc1ccccc1OCCF 34a_100011216402_100011217306 [0,1,1,0,0,0|1,0,1]=4 1428 B12R1.121 CSc1ccccc1OCCN 62a_100000744007_200000210301 [0,1,1,0,0,0|1,0,1]=4 1429 B12R1.121 CSc1ccccc1OCCN 62a_200000210301_100000744007 [0,1,1,0,0,0|1,0,1]=4 1430 B12R1.121 CSc1ccccc1OCCO 34a_100011216402_100000211926 [0,1,1,0,0,0|1,0,1]=4 1431 B12R1.121 CSc1ccccc1OCCO 62a_100000230753_200000210301 [0,1,1,0,0,0|1,0,1]=4 1432 B12R1.121 CSc1ccccc1OCCO 62a_200000210301_100000230753 [0,1,1,0,0,0|1,0,1]=4 1433 B12R1.121 [13CH3]Nc1ccccc1OCCF 34a_100012000959_200025704644 [0,1,1,0,0,0|1,0,1]=4 1434 B12R1.121 [13CH3]Nc1ccccc1OCCO 34a_100132302172_200025704644 [0,1,1,0,0,0|1,0,1]=4 1435 B12R1.121 [13CH3]Oc1ccccc1OCCO 34a_100000181789_200025704644 [0,1,1,0,0,0|1,0,1]=4 1436 B12R1.121 [13CH3]Oc1ccccc1OCCO 7a_100000181789_200025704644 [0,1,1,0,0,0|1,0,1]=4 1437 B12R1.121 [13CH3]Sc1ccccc1OCCN 62a_100000744007_200025704644 [0,1,1,0,0,0|1,0,1]=4 1438 B12R1.121 [13CH3]Sc1ccccc1OCCN 62a_200025704644_100000744007 [0,1,1,0,0,0|1,0,1]=4 1439 B12R1.121 [13CH3]Sc1ccccc1OCCO 62a_100000230753_200025704644 [0,1,1,0,0,0|1,0,1]=4 1440 B12R1.121 [13CH3]Sc1ccccc1OCCO 62a_200025704644_100000230753 [0,1,1,0,0,0|1,0,1]=4 1441 B12R1.169 C/C=C/c1ccccc1OCC 34a_200000189419_100000210202 [0,1,1,0,0,0|0,0,1]=3 1442 B12R1.169 C/C=C/c1ccccc1OCC 7a_200000189419_100000210202 [0,1,1,0,0,0|0,0,1]=3 1443 B12R1.169 C/C=C/c1ccccc1OCF 34a_200000189419_100015361967 [0,1,1,0,0,0|1,0,1]=4 1444 B12R1.169 C/C=C/c1ccccc1OCF 7a_200000189419_100015361967 [0,1,1,0,0,0|1,0,1]=4 1445 B12R1.169 C=C=Cc1ccccc1OCC 271570a_100015277604_100000230754 [0,1,1,0,0,0|0,0,2]=4 1446 B12R1.169 C=CCc1ccccc1C=CC 271570a_100016259895_100009828059 [0,1,1,0,0,0|1,0,1]=4 1447 B12R1.169 C=CCc1ccccc1OCC 34a_100000211836_100000210202 [0,1,1,0,0,0|0,0,2]=4 1448 B12R1.169 C=CCc1ccccc1OCC 7a_100000211836_100000210202 [0,1,1,0,0,0|0,0,2]=4 1449 B12R1.169 CC=Cc1ccccc1CCN 271570a_100016259895_100000747383 [0,1,1,0,0,0|1,0,1]=4 1450 B12R1.169 CC=Cc1ccccc1CCO 271570a_100016259895_100000731337 [0,1,1,0,0,0|1,0,1]=4 1451 B12R1.169 CC=Cc1ccccc1CNC 271570a_100016259895_100000184654 [0,1,1,0,0,0|1,0,1]=4 1452 B12R1.169 CC=Cc1ccccc1COC 271570a_100016259895_100011493684 [0,1,1,0,0,0|1,0,1]=4 1453 B12R1.169 CC=Cc1ccccc1CSC 271570a_100016259895_100000148299 [0,1,1,0,0,0|1,0,1]=4 1454 B12R1.169 CC=Cc1ccccc1NCC 271570a_100016259895_114873767003 [0,1,1,0,0,0|1,0,1]=4 1455 B12R1.169 CC=Cc1ccccc1OCC 271570a_100016259895_100000230754 [0,1,1,0,0,0|0,0,1]=3 1456 B12R1.169 CC=Cc1ccccc1SCC 271570a_100016259895_100000230856 [0,1,1,0,0,0|0,1,1]=4 1457 B12R1.169 CC=Cc1cccnc1OCC 271570a_100016259895_100011465154 [0,1,1,0,0,0|1,0,1]=4 1458 B12R1.169 CC=Cc1ncccc1OCC 271570a_100016259895_100011597540 [0,1,1,0,0,0|1,0,1]=4 1459 B12R1.169 CCCc1ccccc1OCC 34a_100011217252_100000210202 [0,1,1,0,0,0|0,0,2]=4 1460 B12R1.169 CCCc1ccccc1OCC 7a_100011217252_100000210202 [0,1,1,0,0,0|0,0,2]=4 1461 B12R1.169 CCNc1ccccc1OCC 34a_100000211218_100000210202 [0,1,1,0,0,0|0,0,2]=4 1462 B12R1.169 CCNc1ccccc1OCC 34a_103624766699_100000210202 [0,1,1,0,0,0|0,0,2]=4 1463 B12R1.169 CCNc1ccccc1OCC 7a_103624766699_100000210202 [0,1,1,0,0,0|0,0,2]=4 1464 B12R1.169 CCOc1ccccc1CCBr 34a_100000722297_100000210202 [0,1,1,0,0,0|0,0,2]=4 1465 B12R1.169 CCOc1ccccc1CCBr 7a_100000722297_100000210202 [0,1,1,0,0,0|0,0,2]=4 1466 B12R1.169 CCOc1ccccc1CCN 34a_100011207237_100000210202 [0,1,1,0,0,0|0,0,2]=4 1467 B12R1.169 CCOc1ccccc1CCO 34a_100000719421_100000210202 [0,1,1,0,0,0|0,0,2]=4 1468 B12R1.169 CCOc1ccccc1CCO 7a_100000719421_100000210202 [0,1,1,0,0,0|0,0,2]=4 1469 B12R1.169 CCOc1ccccc1CNC 207a_100102657272_100000169843 [0,1,1,0,0,0|0,0,2]=4 1470 B12R1.169 CCOc1ccccc1CNC 270004a_106832991635_100000169843 [0,1,1,0,0,0|0,0,2]=4 1471 B12R1.169 CCOc1ccccc1CNC 34a_100015189988_100000210202 [0,1,1,0,0,0|0,0,2]=4 1472 B12R1.169 CCOc1ccccc1COC 34a_100000708577_200000210301 [0,1,1,0,0,0|0,0,2]=4 1473 B12R1.169 CCOc1ccccc1COC 34a_100011488565_100000210202 [0,1,1,0,0,0|0,0,2]=4 1474 B12R1.169 CCOc1ccccc1COC 7a_100000708577_200000210301 [0,1,1,0,0,0|0,0,2]=4 1475 B12R1.169 CCOc1ccccc1COC 7a_100011488565_100000210202 [0,1,1,0,0,0|0,0,2]=4 1476 B12R1.169 CCOc1ccccc1CO[13CH3] 34a_100000708577_200025704644 [0,1,1,0,0,0|0,0,2]=4 1477 B12R1.169 CCOc1ccccc1CO[13CH3] 7a_100000708577_200025704644 [0,1,1,0,0,0|0,0,2]=4 1478 B12R1.169 CCOc1ccccc1NCF 34a_100000211218_100015361967 [0,1,1,0,0,0|1,0,1]=4 1479 B12R1.169 CCOc1ccccc1OCC 34a_100000211404_100000210202 [0,1,1,0,0,0|0,0,2]=4 1480 B12R1.169 CCOc1ccccc1OCC 7a_100000211404_100000210202 [0,1,1,0,0,0|0,0,2]=4 1481 B12R1.169 CCOc1ccccc1OCF 34a_100000211404_100015361967 [0,1,1,0,0,0|1,0,1]=4 1482 B12R1.169 CCOc1ccccc1OCF 7a_100000211404_100015361967 [0,1,1,0,0,0|1,0,1]=4 1483 B12R1.169 CCOc1ccccc1SCC 62a_100000210202_100000230754 [0,1,1,0,0,0|0,0,2]=4 1484 B12R1.169 CCOc1ccccc1SCC 62a_100000230754_100000210202 [0,1,1,0,0,0|0,0,2]=4 1485 B12R1.169 CCOc1ccccc1SCF 62a_100000230754_100015361967 [0,1,1,0,0,0|1,0,1]=4 1486 B12R1.169 CCOc1ccccc1SCF 62a_100015361967_100000230754 [0,1,1,0,0,0|1,0,1]=4 1487 B12R1.268 C=Cc1ccc(cc1OCC)C 271570a_100011290941_200010713166 [0,1,1,0,0,0|0,0,2]=4 1488 B12R1.268 C=Cc1ccc(cc1OCC)F 271570a_100011290941_200012340411 [0,1,1,0,0,0|0,0,2]=4 1489 B12R1.268 C=Cc1ccc(cc1OCC)N 271570a_100011290941_200016990551 [0,1,1,0,0,0|0,0,2]=4 1490 B12R1.268 CC=Cc1cc(ccc1C=O)Br 271570a_100016259895_100010146562 [0,1,1,0,0,0|2,0,0]=4 1491 B12R1.268 CC=Cc1cc(ccc1C=O)C 271570a_100016259895_100000692596 [0,1,1,0,0,0|2,0,0]=4 1492 B12R1.268 CC=Cc1cc(ccc1C=O)F 271570a_100016259895_100000752949 [0,1,1,0,0,0|2,0,0]=4 1493 B12R1.268 CC=Cc1cc(ccc1C=O)O 271570a_100016259895_100011236494 [0,1,1,0,0,0|2,0,0]=4 1494 B12R1.268 CC=Cc1cc(ccc1NC)C 271570a_100016259895_100000221369 [0,1,1,0,0,0|2,0,0]=4 1495 B12R1.268 CC=Cc1cc(ccc1NC)F 271570a_100016259895_100011246292 [0,1,1,0,0,0|2,0,0]=4 1496 B12R1.268 CC=Cc1cc(ccc1OC)Br 271570a_100016259895_100012351588 [0,1,1,0,0,0|2,0,0]=4 1497 B12R1.268 CC=Cc1cc(ccc1OC)C 271570a_100016259895_100000186399 [0,1,1,0,0,0|2,0,0]=4 1498 B12R1.268 CC=Cc1cc(ccc1OC)Cl 271570a_100016259895_100011215930 [0,1,1,0,0,0|2,0,0]=4 1499 B12R1.268 CC=Cc1cc(ccc1OC)F 271570a_100016259895_100000171694 [0,1,1,0,0,0|2,0,0]=4 1500 B12R1.268 CC=Cc1cc(ccc1OC)N 271570a_100016259895_100000187427 [0,1,1,0,0,0|2,0,0]=4 1501 B12R1.268 CC=Cc1cc(ccc1OC)O 271570a_100016259895_100010084122 [0,1,1,0,0,0|2,0,0]=4 1502 B12R1.268 CC=Cc1cc(ccc1SC)C 271570a_100016259895_200010201864 [0,1,1,0,0,0|2,0,0]=4 1503 B12R1.268 CC=Cc1cc(ccc1SC)F 271570a_100016259895_100009817003 [0,1,1,0,0,0|2,0,0]=4 1504 B12R1.268 CCOc1cc(ccc1NC)Br 2230a_100000688918_200000210301 [0,1,1,0,0,0|1,0,1]=4 1505 B12R1.268 CCOc1cc(ccc1NC)Br 34a_100000688918_200000210301 [0,1,1,0,0,0|1,0,1]=4 1506 B12R1.268 CCOc1cc(ccc1NC)C 2230a_100000742043_200000210301 [0,1,1,0,0,0|1,0,1]=4 1507 B12R1.268 CCOc1cc(ccc1NC)C 34a_100000742043_200000210301 [0,1,1,0,0,0|1,0,1]=4 1508 B12R1.268 CCOc1cc(ccc1NC)Cl 34a_100000687649_200000210301 [0,1,1,0,0,0|1,0,1]=4 1509 B12R1.268 CCOc1cc(ccc1NC)F 2230a_100000741351_200000210301 [0,1,1,0,0,0|1,0,1]=4 1510 B12R1.268 CCOc1cc(ccc1NC)F 34a_100000741351_200000210301 [0,1,1,0,0,0|1,0,1]=4 1511 B12R1.268 CCOc1cc(ccc1N[13CH3])Br 2230a_100000688918_200025704644 [0,1,1,0,0,0|1,0,1]=4 1512 B12R1.268 CCOc1cc(ccc1N[13CH3])Br 34a_100000688918_200025704644 [0,1,1,0,0,0|1,0,1]=4 1513 B12R1.268 CCOc1cc(ccc1N[13CH3])C 2230a_100000742043_200025704644 [0,1,1,0,0,0|1,0,1]=4 1514 B12R1.268 CCOc1cc(ccc1N[13CH3])C 34a_100000742043_200025704644 [0,1,1,0,0,0|1,0,1]=4 1515 B12R1.268 CCOc1cc(ccc1N[13CH3])Cl 34a_100000687649_200025704644 [0,1,1,0,0,0|1,0,1]=4 1516 B12R1.268 CCOc1cc(ccc1N[13CH3])F 2230a_100000741351_200025704644 [0,1,1,0,0,0|1,0,1]=4 1517 B12R1.268 CCOc1cc(ccc1N[13CH3])F 34a_100000741351_200025704644 [0,1,1,0,0,0|1,0,1]=4 1518 B12R1.268 CCOc1cc(ccc1OC)Br 34a_100009816560_100000210202 [0,1,1,0,0,0|1,0,1]=4 1519 B12R1.268 CCOc1cc(ccc1OC)Br 7a_100009816560_100000210202 [0,1,1,0,0,0|1,0,1]=4 1520 B12R1.268 CCOc1cc(ccc1OC)C 34a_100011216497_100000210202 [0,1,1,0,0,0|1,0,1]=4 1521 B12R1.268 CCOc1cc(ccc1OC)C 34a_200000034294_200000210301 [0,1,1,0,0,0|1,0,1]=4 1522 B12R1.268 CCOc1cc(ccc1OC)C 7a_100011216497_100000210202 [0,1,1,0,0,0|1,0,1]=4 1523 B12R1.268 CCOc1cc(ccc1OC)C 7a_200000034294_200000210301 [0,1,1,0,0,0|1,0,1]=4 1524 B12R1.268 CCOc1cc(ccc1OC)Cl 34a_100000101779_100000210202 [0,1,1,0,0,0|1,0,1]=4 1525 B12R1.268 CCOc1cc(ccc1OC)Cl 7a_100000101779_100000210202 [0,1,1,0,0,0|1,0,1]=4 1526 B12R1.268 CCOc1cc(ccc1OC)F 34a_100000034962_100000210202 [0,1,1,0,0,0|1,0,1]=4 1527 B12R1.268 CCOc1cc(ccc1OC)F 7a_100000034962_100000210202 [0,1,1,0,0,0|1,0,1]=4 1528 B12R1.268 CCOc1cc(ccc1OC)N 34a_100000211920_100000210202 [0,1,1,0,0,0|1,0,1]=4 1529 B12R1.268 CCOc1cc(ccc1OC)O 271570a_203496583355_200010219349 [0,1,1,0,0,0|1,0,1]=4 1530 B12R1.268 CCOc1cc(ccc1O[13CH3])C 34a_200000034294_200025704644 [0,1,1,0,0,0|1,0,1]=4 1531 B12R1.268 CCOc1cc(ccc1O[13CH3])C 7a_200000034294_200025704644 [0,1,1,0,0,0|1,0,1]=4 1532 B12R1.268 CCOc1cc(ccc1SC)C 62a_200000210301_200010713166 [0,1,1,0,0,0|1,0,1]=4 1533 B12R1.268 CCOc1cc(ccc1SC)C 62a_200010713166_200000210301 [0,1,1,0,0,0|1,0,1]=4 1534 B12R1.268 CCOc1cc(ccc1SC)F 62a_200000210301_200012340411 [0,1,1,0,0,0|1,0,1]=4 1535 B12R1.268 CCOc1cc(ccc1SC)F 62a_200012340411_200000210301 [0,1,1,0,0,0|1,0,1]=4 1536 B12R1.268 CCOc1cc(ccc1SC)N 62a_200000210301_200016990551 [0,1,1,0,0,0|1,0,1]=4 1537 B12R1.268 CCOc1cc(ccc1SC)N 62a_200016990551_200000210301 [0,1,1,0,0,0|1,0,1]=4 1538 B12R1.268 CCOc1cc(ccc1S[13CH3])C 62a_200010713166_200025704644 [0,1,1,0,0,0|1,0,1]=4 1539 B12R1.268 CCOc1cc(ccc1S[13CH3])C 62a_200025704644_200010713166 [0,1,1,0,0,0|1,0,1]=4 1540 B12R1.268 CCOc1cc(ccc1S[13CH3])F 62a_200012340411_200025704644 [0,1,1,0,0,0|1,0,1]=4 1541 B12R1.268 CCOc1cc(ccc1S[13CH3])F 62a_200025704644_200012340411 [0,1,1,0,0,0|1,0,1]=4 1542 B12R1.268 CCOc1cc(ccc1S[13CH3])N 62a_200016990551_200025704644 [0,1,1,0,0,0|1,0,1]=4 1543 B12R1.268 CCOc1cc(ccc1S[13CH3])N 62a_200025704644_200016990551 [0,1,1,0,0,0|1,0,1]=4 1544 B12R1.283 C=C(C)c1ccccc1CNC 271570a_100000694244_100000184654 [0,1,1,0,0,0|2,0,0]=4 1545 B12R1.283 C=C(C)c1ccccc1COC 271570a_100000694244_100011493684 [0,1,1,0,0,0|2,0,0]=4 1546 B12R1.283 C=C(C)c1ccccc1CSC 271570a_100000694244_100000148299 [0,1,1,0,0,0|2,0,0]=4 1547 B12R1.283 C=C(C)c1ccccc1NCC 271570a_100000694244_114873767003 [0,1,1,0,0,0|1,0,1]=4 1548 B12R1.283 C=C(C)c1ccccc1NCC 34a_100000037685_100000210202 [0,1,1,0,0,0|1,0,1]=4 1549 B12R1.283 C=C(C)c1ccccc1OCC 271570a_100000694244_100000230754 [0,1,1,0,0,0|0,0,1]=3 1550 B12R1.283 C=C(C)c1ccccc1SCC 271570a_100000694244_100000230856 [0,1,1,0,0,0|0,1,1]=4 1551 B12R1.283 C=C(C)c1cccnc1OCC 271570a_100000694244_100011465154 [0,1,1,0,0,0|1,0,1]=4 1552 B12R1.283 C=C(C)c1ncccc1OCC 271570a_100000694244_100011597540 [0,1,1,0,0,0|1,0,1]=4 1553 B12R1.283 C=CCc1ccccc1C(=C)C 271570a_100000694244_100009828059 [0,1,1,0,0,0|1,0,1]=4 1554 B12R1.283 CC=Cc1ccccc1C(=O)C 271570a_100016259895_100000751169 [0,1,1,0,0,0|1,0,0]=3 1555 B12R1.283 CC=Cc1ccccc1C(=O)N 271570a_100016259895_100000162227 [0,1,1,0,0,0|2,0,0]=4 1556 B12R1.283 CC=Cc1ccccc1C(C)C 271570a_100016259895_100011218076 [0,1,1,0,0,0|1,0,1]=4 1557 B12R1.283 CC=Cc1ccccc1C(C)N 271570a_100016259895_100000181357 [0,1,1,0,0,0|1,0,1]=4 1558 B12R1.283 CC=Cc1ccccc1C(C)O 271570a_100016259895_100000702211 [0,1,1,0,0,0|1,0,1]=4 1559 B12R1.283 CC=Cc1ccccc1N(C)C 271570a_100016259895_100011290883 [0,1,1,0,0,0|2,0,0]=4 1560 B12R1.283 CC=Cc1ccccc1S(=O)C 271570a_100016259895_100000734199 [0,1,1,0,0,0|2,0,0]=4 1561 B12R1.283 CC=Cc1cccnc1C(=O)C 271570a_100016259895_100012348690 [0,1,1,0,0,0|2,0,0]=4 1562 B12R1.283 CC=Cc1ccncc1C(=O)C 271570a_100016259895_100160469449 [0,1,1,0,0,0|2,0,0]=4 1563 B12R1.283 CC=Cc1cnccc1C(=O)C 271570a_100016259895_100009993184 [0,1,1,0,0,0|2,0,0]=4 1564 B12R1.283 CC=Cc1ncccc1C(=O)C 271570a_100016259895_100000753718 [0,1,1,0,0,0|2,0,0]=4 1565 B12R1.283 CCOc1ccccc1C(=O)C 1458a_100000211144_200000210301 [0,1,1,0,0,0|0,0,1]=3 1566 B12R1.283 CCOc1ccccc1C(=O)N 34a_100000192804_100000210202 [0,1,1,0,0,0|1,0,1]=4 1567 B12R1.283 CCOc1ccccc1C(=O)N 7a_100000192804_100000210202 [0,1,1,0,0,0|1,0,1]=4 1568 B12R1.283 CCOc1ccccc1C(=O)[13CH3] 1458a_100000211144_200025704644 [0,1,1,0,0,0|0,0,1]=3 1569 B12R1.283 CCOc1ccccc1C(=O)[O-] 7a_100015234032_100000210202 [0,1,1,0,0,0|1,0,1]=4 1570 B12R1.283 CCOc1ccccc1C(=S)N 7a_100000745089_100000210202 [0,1,1,0,0,0|1,0,1]=4 1571 B12R1.283 CCOc1ccccc1C(C)C 34a_100000211617_100000210202 [0,1,1,0,0,0|0,0,2]=4 1572 B12R1.283 CCOc1ccccc1C(C)C 7a_100000211617_100000210202 [0,1,1,0,0,0|0,0,2]=4 1573 B12R1.283 CCOc1ccccc1C(C)O 34a_200011232679_100000210202 [0,1,1,0,0,0|0,0,2]=4 1574 B12R1.283 CCOc1ccccc1C(C)O 7a_200011232679_100000210202 [0,1,1,0,0,0|0,0,2]=4 1575 B12R1.283 CCOc1ccccc1[C@@H](C)N 34a_100025703389_100000210202 [0,1,1,0,0,0|0,0,2]=4 1576 B12R1.283 CCOc1cccnc1C(=O)C 34a_100000087166_100000210202 [0,1,1,0,0,0|1,0,1]=4 1577 B12R1.283 CCOc1cccnc1C(=O)C 7a_100000087166_100000210202 [0,1,1,0,0,0|1,0,1]=4 1578 B12R1.283 CCOc1cnccc1C(=O)C 7a_100009872882_100000210202 [0,1,1,0,0,0|1,0,1]=4 1579 B12R1.283 CCSc1ccccc1C(=O)C 1458a_100000195471_200000210301 [0,1,1,0,0,0|0,1,1]=4 1580 B12R1.283 CCSc1ccccc1C(=O)C 62a_100000751169_100000210202 [0,1,1,0,0,0|0,1,1]=4 1581 B12R1.283 CCSc1ccccc1C(=O)[13CH3] 1458a_100000195471_200025704644 [0,1,1,0,0,0|0,1,1]=4 1582 B12R1.283 COCc1ccccc1C(=O)C 1458a_100000737999_200000210301 [0,1,1,0,0,0|2,0,0]=4 1583 B12R1.283 COCc1ccccc1C(=O)[13CH3] 1458a_100000737999_200025704644 [0,1,1,0,0,0|2,0,0]=4 1584 B12R1.542 CC=Cc1cccc(c1C=O)C 271570a_100016259895_100000041122 [0,1,1,0,0,0|2,0,0]=4 1585 B12R1.542 CC=Cc1cccc(c1C=O)Cl 271570a_100016259895_100010147682 [0,1,1,0,0,0|2,0,0]=4 1586 B12R1.542 CC=Cc1cccc(c1C=O)F 271570a_100016259895_100000210083 [0,1,1,0,0,0|2,0,0]=4 1587 B12R1.542 CC=Cc1cccc(c1C=O)N 271570a_100016259895_100010232536 [0,1,1,0,0,0|2,0,0]=4 1588 B12R1.542 CC=Cc1cccc(c1C=O)O 271570a_100016259895_100009814793 [0,1,1,0,0,0|2,0,0]=4 1589 B12R1.542 CC=Cc1cccc(c1NC)N 271570a_100016259895_100010510394 [0,1,1,0,0,0|2,0,0]=4 1590 B12R1.542 CC=Cc1cccc(c1OC)Br 271570a_100016259895_100010146560 [0,1,1,0,0,0|2,0,0]=4 1591 B12R1.542 CC=Cc1cccc(c1OC)C 271570a_100016259895_100010141385 [0,1,1,0,0,0|2,0,0]=4 1592 B12R1.542 CC=Cc1cccc(c1OC)Cl 271570a_100016259895_100010147678 [0,1,1,0,0,0|2,0,0]=4 1593 B12R1.542 CC=Cc1cccc(c1OC)F 271570a_100016259895_100009816759 [0,1,1,0,0,0|2,0,0]=4 1594 B12R1.542 CC=Cc1cccc(c1OC)N 271570a_100016259895_100011935253 [0,1,1,0,0,0|2,0,0]=4 1595 B12R1.542 CC=Cc1cccc(c1OC)O 271570a_100016259895_100010234590 [0,1,1,0,0,0|2,0,0]=4 1596 B12R1.542 CC=Cc1cccc(c1SC)F 271570a_100016259895_200010709249 [0,1,1,0,0,0|2,0,0]=4 1597 B12R1.542 CCOc1cccc(c1NC)Br 34a_200103155331_200000210301 [0,1,1,0,0,0|1,0,1]=4 1598 B12R1.542 CCOc1cccc(c1NC)Cl 34a_100012284057_200000210301 [0,1,1,0,0,0|1,0,1]=4 1599 B12R1.542 CCOc1cccc(c1N[13CH3])Br 34a_200103155331_200025704644 [0,1,1,0,0,0|1,0,1]=4 1600 B12R1.542 CCOc1cccc(c1N[13CH3])Cl 34a_100012284057_200025704644 [0,1,1,0,0,0|1,0,1]=4 1601 B12R1.542 CCOc1cccc(c1OC)Br 34a_100010234590_100000210202 [0,1,1,0,0,0|1,0,1]=4 1602 B12R1.542 CCOc1cccc(c1OC)Cl 34a_200009886253_100000210202 [0,1,1,0,0,0|1,0,1]=4 1603 B12R1.542 CCOc1cccc(c1OC)Cl 7a_200009886253_100000210202 [0,1,1,0,0,0|1,0,1]=4 1604 B12R1.542 CCOc1cccc(c1SC)C 34a_200000099257_100000210202 [0,1,1,0,0,0|1,0,1]=4 1605 B12R1.542 CCOc1cccc(c1SC)C 7a_200000099257_100000210202 [0,1,1,0,0,0|1,0,1]=4 1606 B12R1.1112 C=Cc1cccc(c1OCC)F 271570a_100011290941_100010232518 [0,1,1,0,0,0|0,0,2]=4 1607 B12R1.1112 CC=Cc1c(cccc1C=O)F 271570a_100016259895_100011998484 [0,1,1,0,0,0|2,0,0]=4 1608 B12R1.1112 CC=Cc1c(cccc1C=O)O 271570a_100016259895_100009816417 [0,1,1,0,0,0|2,0,0]=4 1609 B12R1.1112 CC=Cc1c(cccc1CC)C 271570a_100016259895_100000036235 [0,1,1,0,0,0|1,0,1]=4 1610 B12R1.1112 CC=Cc1c(cccc1OC)Br 271570a_100016259895_100010131421 [0,1,1,0,0,0|2,0,0]=4 1611 B12R1.1112 CC=Cc1c(cccc1OC)F 271570a_100016259895_100000041735 [0,1,1,0,0,0|2,0,0]=4 1612 B12R1.1112 CC=Cc1c(cccc1OC)N 271570a_100016259895_100000703447 [0,1,1,0,0,0|2,0,0]=4 1613 B12R1.1112 CC=Cc1c(cccc1OC)O 271570a_100016259895_100010202623 [0,1,1,0,0,0|2,0,0]=4 1614 B12R1.1112 CCOc1c(cccc1CC)Br 34a_200010001580_100000210202 [0,1,1,0,0,0|0,0,2]=4 1615 B12R1.1112 CCOc1c(cccc1CC)Br 7a_200010001580_100000210202 [0,1,1,0,0,0|0,0,2]=4 1616 B12R1.1112 CCOc1c(cccc1CC)C 34a_100000034007_100000210202 [0,1,1,0,0,0|0,0,2]=4 1617 B12R1.1112 CCOc1c(cccc1CC)C 7a_100000034007_100000210202 [0,1,1,0,0,0|0,0,2]=4 1618 B12R1.1112 CCOc1c(cccc1NC)Cl 2230a_100000744310_200000210301 [0,1,1,0,0,0|1,0,1]=4 1619 B12R1.1112 CCOc1c(cccc1NC)Cl 34a_100000744310_200000210301 [0,1,1,0,0,0|1,0,1]=4 1620 B12R1.1112 CCOc1c(cccc1N[13CH3])Cl 2230a_100000744310_200025704644 [0,1,1,0,0,0|1,0,1]=4 1621 B12R1.1112 CCOc1c(cccc1N[13CH3])Cl 34a_100000744310_200025704644 [0,1,1,0,0,0|1,0,1]=4 1622 B12R1.1112 CCOc1c(cccc1OC)Br 34a_100000686866_100000210202 [0,1,1,0,0,0|1,0,1]=4 1623 B12R1.1112 CCOc1c(cccc1OC)C 34a_100011219253_100000210202 [0,1,1,0,0,0|1,0,1]=4 1624 B12R1.1112 CCOc1c(cccc1OC)C 7a_100011219253_100000210202 [0,1,1,0,0,0|1,0,1]=4 1625 B12R1.1112 CCOc1c(cccc1OC)Cl 34a_100009851661_100000210202 [0,1,1,0,0,0|1,0,1]=4 1626 B12R1.1112 CCOc1c(cccc1OC)Cl 7a_100009851661_100000210202 [0,1,1,0,0,0|1,0,1]=4 1627 B12R1.1112 CCOc1c(cccc1OC)F 34a_100000036725_100000210202 [0,1,1,0,0,0|1,0,1]=4 1628 B12R1.1112 CCOc1c(cccc1OC)F 7a_100000036725_100000210202 [0,1,1,0,0,0|1,0,1]=4 1629 B12R1.1112 CCOc1c(cccc1OC)N 34a_100000123586_100000210202 [0,1,1,0,0,0|1,0,1]=4 1630 B12R1.1112 CCOc1c(cccc1SC)F 62a_100010232518_200000210301 [0,1,1,0,0,0|1,0,1]=4 1631 B12R1.1112 CCOc1c(cccc1SC)F 62a_200000210301_100010232518 [0,1,1,0,0,0|1,0,1]=4 1632 B12R1.1112 CCOc1c(cccc1S[13CH3])F 62a_100010232518_200025704644 [0,1,1,0,0,0|1,0,1]=4 1633 B12R1.1112 CCOc1c(cccc1S[13CH3])F 62a_200025704644_100010232518 [0,1,1,0,0,0|1,0,1]=4 1634 B12R1.24 CCC(=O)c1cccc(c1O)Br 1458a_100000752940_100000210202 [0,1,1,0,0,0|1,0,1]=4 1635 B12R1.24 CCC(=O)c1cccc(c1O)C 1458a_100000183896_100000210202 [0,1,1,0,0,0|1,0,1]=4 1636 B12R1.24 CCC(=O)c1cccc(c1O)Cl 1458a_100000742801_100000210202 [0,1,1,0,0,0|1,0,1]=4 1637 B12R1.24 CCC(=O)c1cccc(c1O)F 1458a_100011217230_100000210202 [0,1,1,0,0,0|1,0,1]=4 1638 B12R1.24 CCC(=O)c1cccc(c1O)O 1458a_100000690420_100000210202 [0,1,1,0,0,0|1,0,1]=4 1639 B12R1.24 CNC(=O)c1cccc(c1O)Br 240690a_100102657272_100000752940 [0,1,1,0,0,0|2,0,0]=4 1640 B12R1.24 CNC(=O)c1cccc(c1O)Br 527a_100102657272_100000752940 [0,1,1,0,0,0|2,0,0]=4 1641 B12R1.24 CNC(=O)c1cccc(c1O)C 240690a_100102657272_100000183896 [0,1,1,0,0,0|2,0,0]=4 1642 B12R1.24 CNC(=O)c1cccc(c1O)C 527a_100102657272_100000183896 [0,1,1,0,0,0|2,0,0]=4 1643 B12R1.24 CNC(=O)c1cccc(c1O)Cl 240690a_100102657272_100000742801 [0,1,1,0,0,0|2,0,0]=4 1644 B12R1.24 CNC(=O)c1cccc(c1O)Cl 527a_100102657272_100000742801 [0,1,1,0,0,0|2,0,0]=4 1645 B12R1.24 CNC(=O)c1cccc(c1O)F 240690a_100102657272_100011217230 [0,1,1,0,0,0|2,0,0]=4 1646 B12R1.24 CNC(=O)c1cccc(c1O)F 527a_100102657272_100011217230 [0,1,1,0,0,0|2,0,0]=4 1647 B12R1.24 CNC(=O)c1cccc(c1O)O 527a_100102657272_100000690420 [0,1,1,0,0,0|2,0,0]=4 1648 B12R1.24 CNC(C)c1cccc(c1O)Br 269862a_106832991636_100009815558 [0,1,1,0,0,0|1,0,1]=4 1649 B12R1.24 CNC(C)c1cccc(c1O)C 269862a_106832991636_100009847209 [0,1,1,0,0,0|1,0,1]=4 1650 B12R1.24 CNC(C)c1cccc(c1O)Cl 269862a_106832991636_100000043392 [0,1,1,0,0,0|1,0,1]=4 1651 B12R1.24 CNC(C)c1cccc(c1O)F 269862a_106832991636_100011246037 [0,1,1,0,0,0|1,0,1]=4 1652 B12R1.24 COC(=O)c1cccc(c1O)Br 271570a_203496583355_100010150843 [0,1,1,0,0,0|2,0,0]=4 1653 B12R1.24 COC(=O)c1cccc(c1O)C 271570a_203496583355_100012002529 [0,1,1,0,0,0|2,0,0]=4 1654 B12R1.24 COC(=O)c1cccc(c1O)F 271570a_203496583355_100012357630 [0,1,1,0,0,0|2,0,0]=4 1655 B12R1.24 COC(=O)c1cccc(c1O)N 271570a_203496583355_100000719424 [0,1,1,0,0,0|2,0,0]=4 1656 B12R1.24 COC(=O)c1cccc(c1O)O 271570a_203496583355_100009816214 [0,1,1,0,0,0|2,0,0]=4 1657 B12R1.24 COC(=O)c1cccc(c1O)O 271570a_203496583355_200010230364 [0,1,1,0,0,0|2,0,0]=4 1658 B12R1.243 CCN(CC)c1ccccc1O 269982a_103624766699_100000204670 [0,1,1,0,0,0|1,0,1]=4 1659 B12R1.243 CCN(CF)c1ccccc1O 269982a_103624766699_100015361967 [0,1,1,0,0,0|1,0,1]=4 1660 B12R1.243 COC(OC)c1ccccc1O 271570a_203496583355_100010185899 [0,1,1,0,0,0|1,0,1]=4 1661 B12R1.308 C=CCC(=O)c1ccccc1O 1458a_100015234032_100000210623 [0,1,1,0,0,0|1,0,1]=4 1662 B12R1.308 C=CCN(C)c1ccccc1O 269982a_100000033821_100000210623 [0,1,1,0,0,0|1,0,1]=4 1663 B12R1.308 CCCC(=O)c1ccccc1O 1458a_100015234032_100000210303 [0,1,1,0,0,0|1,0,1]=4 1664 B12R1.308 CCCN(C)c1ccccc1O 269982a_100000033821_100000210303 [0,1,1,0,0,0|1,0,1]=4 1665 B12R1.308 CCNC(=O)c1ccccc1O 240690a_100015525214_100015234032 [0,1,1,0,0,0|1,0,1]=4 1666 B12R1.308 CCNC(=O)c1ccccc1O 271570a_203496583355_200000155173 [0,1,1,0,0,0|1,0,1]=4 1667 B12R1.308 CCN[C@H](C)c1ccccc1O 2230a_100025703389_100000210202 [0,1,1,0,0,0|0,0,2]=4 1668 B12R1.308 CCOC(=O)c1ccccc1O 271570a_203496583355_100000169879 [0,1,1,0,0,0|1,0,1]=4 1669 B12R1.308 CN(CC=O)c1ccccc1O 269982a_100000033821_200015260668 [0,1,1,0,0,0|2,0,0]=4 1670 B12R1.308 CN(CCF)c1ccccc1O 269982a_100000033821_100011217306 [0,1,1,0,0,0|1,0,1]=4 1671 B12R1.308 CN(CCO)c1ccccc1O 269982a_100000033821_100000211926 [0,1,1,0,0,0|1,0,1]=4 1672 B12R1.308 CNCC(=O)c1ccccc1O 7a_106832991635_100000188908 [0,1,1,0,0,0|1,0,1]=4 1673 B12R1.308 CNNC(=O)c1ccccc1O 22a_100016993582_100015234032 [0,1,1,0,0,0|2,0,0]=4 1674 B12R1.308 COCN(C)c1ccccc1O 269982a_100000033821_100000766300 [0,1,1,0,0,0|1,0,1]=4 1675 B12R1.308 CSCC(=O)c1ccccc1O 62a_100000188908_200000210301 [0,1,1,0,0,0|1,0,1]=4 1676 B12R1.308 CSCC(=O)c1ccccc1O 62a_200000210301_100000188908 [0,1,1,0,0,0|1,0,1]=4 1677 B12R1.308 CSCN(C)c1ccccc1O 269982a_100000033821_100011218213 [0,1,1,0,0,0|1,0,1]=4 1678 B12R1.308 O=C(CCF)c1ccccc1O 1458a_100015234032_100011217306 [0,1,1,0,0,0|1,0,1]=4 1679 B12R1.308 O=C(CCO)c1ccccc1O 1458a_100015234032_100000211926 [0,1,1,0,0,0|1,0,1]=4 1680 B12R1.308 [13CH3]SCC(=O)c1ccccc1O 62a_100000188908_200025704644 [0,1,1,0,0,0|1,0,1]=4 1681 B12R1.308 [13CH3]SCC(=O)c1ccccc1O 62a_200025704644_100000188908 [0,1,1,0,0,0|1,0,1]=4 1682 B12R1.354 CCC(=O)c1cc(ccc1O)Br 1458a_100000212140_100000210202 [0,1,1,0,0,0|1,0,1]=4 1683 B12R1.354 CCC(=O)c1cc(ccc1O)C 1458a_100000229998_100000210202 [0,1,1,0,0,0|1,0,1]=4 1684 B12R1.354 CCC(=O)c1cc(ccc1O)Cl 1458a_100000212143_100000210202 [0,1,1,0,0,0|1,0,1]=4 1685 B12R1.354 CCC(=O)c1cc(ccc1O)F 1458a_100000742286_100000210202 [0,1,1,0,0,0|1,0,1]=4 1686 B12R1.354 CCC(=O)c1cc(ccc1O)I 1458a_100000212111_100000210202 [0,1,1,0,0,0|1,0,1]=4 1687 B12R1.354 CCC(=O)c1cc(ccc1O)O 1458a_100000758025_100000210202 [0,1,1,0,0,0|1,0,1]=4 1688 B12R1.354 CCC(=O)c1cc(ccc1O)O 271570a_203496583355_100000183607 [0,1,1,0,0,0|1,0,1]=4 1689 B12R1.354 CNC(=O)c1cc(ccc1O)Br 1626a_100102657272_100000212140 [0,1,1,0,0,0|2,0,0]=4 1690 B12R1.354 CNC(=O)c1cc(ccc1O)Br 240690a_100102657272_100000212140 [0,1,1,0,0,0|2,0,0]=4 1691 B12R1.354 CNC(=O)c1cc(ccc1O)Br 527a_100102657272_100000212140 [0,1,1,0,0,0|2,0,0]=4 1692 B12R1.354 CNC(=O)c1cc(ccc1O)C 240690a_100102657272_100000229998 [0,1,1,0,0,0|2,0,0]=4 1693 B12R1.354 CNC(=O)c1cc(ccc1O)C 527a_100102657272_100000229998 [0,1,1,0,0,0|2,0,0]=4 1694 B12R1.354 CNC(=O)c1cc(ccc1O)Cl 11a_106832991635_100000212143 [0,1,1,0,0,0|2,0,0]=4 1695 B12R1.354 CNC(=O)c1cc(ccc1O)Cl 1626a_100102657272_100000212143 [0,1,1,0,0,0|2,0,0]=4 1696 B12R1.354 CNC(=O)c1cc(ccc1O)Cl 240690a_100102657272_100000212143 [0,1,1,0,0,0|2,0,0]=4 1697 B12R1.354 CNC(=O)c1cc(ccc1O)Cl 271570a_203496583355_200011279454 [0,1,1,0,0,0|2,0,0]=4 1698 B12R1.354 CNC(=O)c1cc(ccc1O)Cl 527a_100102657272_100000212143 [0,1,1,0,0,0|2,0,0]=4 1699 B12R1.354 CNC(=O)c1cc(ccc1O)F 240690a_100102657272_100000742286 [0,1,1,0,0,0|2,0,0]=4 1700 B12R1.354 CNC(=O)c1cc(ccc1O)F 271570a_203496583355_200000206232 [0,1,1,0,0,0|2,0,0]=4 1701 B12R1.354 CNC(=O)c1cc(ccc1O)F 527a_100102657272_100000742286 [0,1,1,0,0,0|2,0,0]=4 1702 B12R1.354 CNC(=O)c1cc(ccc1O)I 240690a_100102657272_100000212111 [0,1,1,0,0,0|2,0,0]=4 1703 B12R1.354 CNC(=O)c1cc(ccc1O)I 527a_100102657272_100000212111 [0,1,1,0,0,0|2,0,0]=4 1704 B12R1.354 CNC(C)c1cc(ccc1O)Br 269862a_106832991636_100000212127 [0,1,1,0,0,0|1,0,1]=4 1705 B12R1.354 CNC(C)c1cc(ccc1O)C 269862a_106832991636_100000195442 [0,1,1,0,0,0|1,0,1]=4 1706 B12R1.354 CNC(C)c1cc(ccc1O)Cl 269862a_106832991636_100000185566 [0,1,1,0,0,0|1,0,1]=4 1707 B12R1.354 CNC(C)c1cc(ccc1O)F 269862a_106832991636_100000182812 [0,1,1,0,0,0|1,0,1]=4 1708 B12R1.354 CNC(C)c1cc(ccc1O)I 269862a_106832991636_100010712555 [0,1,1,0,0,0|1,0,1]=4 1709 B12R1.354 CN[C@@H](C)c1cc(ccc1O)F 2230a_100160469477_200000210301 [0,1,1,0,0,0|1,0,1]=4 1710 B12R1.354 CN[C@@H](C)c1cc(ccc1O)F 34a_100160469477_200000210301 [0,1,1,0,0,0|1,0,1]=4 1711 B12R1.354 CN[C@H](C)c1cc(ccc1O)Cl 2230a_100011853016_200000210301 [0,1,1,0,0,0|1,0,1]=4 1712 B12R1.354 CN[C@H](C)c1cc(ccc1O)Cl 34a_100011853016_200000210301 [0,1,1,0,0,0|1,0,1]=4 1713 B12R1.354 COC(=O)c1cc(ccc1O)Br 271570a_203496583355_100000148213 [0,1,1,0,0,0|2,0,0]=4 1714 B12R1.354 COC(=O)c1cc(ccc1O)C 271570a_203496583355_100012339458 [0,1,1,0,0,0|2,0,0]=4 1715 B12R1.354 COC(=O)c1cc(ccc1O)Cl 271570a_203496583355_100011294804 [0,1,1,0,0,0|2,0,0]=4 1716 B12R1.354 COC(=O)c1cc(ccc1O)F 271570a_203496583355_100000205820 [0,1,1,0,0,0|2,0,0]=4 1717 B12R1.354 COC(=O)c1cc(ccc1O)N 271570a_203496583355_100000696289 [0,1,1,0,0,0|2,0,0]=4 1718 B12R1.354 COC(=O)c1cc(ccc1O)O 271570a_203496583355_100000149868 [0,1,1,0,0,0|2,0,0]=4 1719 B12R1.354 COC(=O)c1cc(ccc1O)O 271570a_203496583355_100010230369 [0,1,1,0,0,0|2,0,0]=4 1720 B12R1.354 C[C@@H](N[13CH3])c1cc(ccc1O)Cl 2230a_100011853016_200025704644 [0,1,1,0,0,0|1,0,1]=4 1721 B12R1.354 C[C@@H](N[13CH3])c1cc(ccc1O)Cl 34a_100011853016_200025704644 [0,1,1,0,0,0|1,0,1]=4 1722 B12R1.354 C[C@H](N[13CH3])c1cc(ccc1O)F 2230a_100160469477_200025704644 [0,1,1,0,0,0|1,0,1]=4 1723 B12R1.354 C[C@H](N[13CH3])c1cc(ccc1O)F 34a_100160469477_200025704644 [0,1,1,0,0,0|1,0,1]=4 1724 B12R1.1703 CCC(=O)c1ccc(cc1O)Br 1458a_100000744433_100000210202 [0,1,1,0,0,0|1,0,1]=4 1725 B12R1.1703 CCC(=O)c1ccc(cc1O)C 1458a_100000212137_100000210202 [0,1,1,0,0,0|1,0,1]=4 1726 B12R1.1703 CCC(=O)c1ccc(cc1O)C 271570a_203496583355_200012349623 [0,1,1,0,0,0|1,0,1]=4 1727 B12R1.1703 CCC(=O)c1ccc(cc1O)Cl 1458a_100000188622_100000210202 [0,1,1,0,0,0|1,0,1]=4 1728 B12R1.1703 CCC(=O)c1ccc(cc1O)F 1458a_100000746061_100000210202 [0,1,1,0,0,0|1,0,1]=4 1729 B12R1.1703 CCC(=O)c1ccc(cc1O)I 1458a_100000091984_100000210202 [0,1,1,0,0,0|1,0,1]=4 1730 B12R1.1703 CCC(=O)c1ccc(cc1O)O 1458a_100000212172_100000210202 [0,1,1,0,0,0|1,0,1]=4 1731 B12R1.1703 CNC(=O)c1ccc(cc1O)Br 240690a_100102657272_100000744433 [0,1,1,0,0,0|2,0,0]=4 1732 B12R1.1703 CNC(=O)c1ccc(cc1O)Br 527a_100102657272_100000744433 [0,1,1,0,0,0|2,0,0]=4 1733 B12R1.1703 CNC(=O)c1ccc(cc1O)C 1626a_100102657272_100000212137 [0,1,1,0,0,0|2,0,0]=4 1734 B12R1.1703 CNC(=O)c1ccc(cc1O)C 240690a_100102657272_100000212137 [0,1,1,0,0,0|2,0,0]=4 1735 B12R1.1703 CNC(=O)c1ccc(cc1O)C 527a_100102657272_100000212137 [0,1,1,0,0,0|2,0,0]=4 1736 B12R1.1703 CNC(=O)c1ccc(cc1O)Cl 11a_106832991635_100000188622 [0,1,1,0,0,0|2,0,0]=4 1737 B12R1.1703 CNC(=O)c1ccc(cc1O)Cl 240690a_100102657272_100000188622 [0,1,1,0,0,0|2,0,0]=4 1738 B12R1.1703 CNC(=O)c1ccc(cc1O)Cl 527a_100102657272_100000188622 [0,1,1,0,0,0|2,0,0]=4 1739 B12R1.1703 CNC(=O)c1ccc(cc1O)F 240690a_100102657272_100000746061 [0,1,1,0,0,0|2,0,0]=4 1740 B12R1.1703 CNC(=O)c1ccc(cc1O)F 271570a_203496583355_200000206206 [0,1,1,0,0,0|2,0,0]=4 1741 B12R1.1703 CNC(=O)c1ccc(cc1O)F 527a_100102657272_100000746061 [0,1,1,0,0,0|2,0,0]=4 1742 B12R1.1703 CNC(=O)c1ccc(cc1O)I 240690a_100102657272_100000091984 [0,1,1,0,0,0|2,0,0]=4 1743 B12R1.1703 CNC(=O)c1ccc(cc1O)I 527a_100102657272_100000091984 [0,1,1,0,0,0|2,0,0]=4 1744 B12R1.1703 CNC(C)c1ccc(cc1O)Br 269862a_106832991636_100000188348 [0,1,1,0,0,0|1,0,1]=4 1745 B12R1.1703 CNC(C)c1ccc(cc1O)C 269862a_106832991636_100000234885 [0,1,1,0,0,0|1,0,1]=4 1746 B12R1.1703 CNC(C)c1ccc(cc1O)Cl 269862a_106832991636_100000061402 [0,1,1,0,0,0|1,0,1]=4 1747 B12R1.1703 CNC(C)c1ccc(cc1O)F 269862a_106832991636_100011215782 [0,1,1,0,0,0|1,0,1]=4 1748 B12R1.1703 COC(=O)c1ccc(cc1O)Br 271570a_203496583355_100000701758 [0,1,1,0,0,0|2,0,0]=4 1749 B12R1.1703 COC(=O)c1ccc(cc1O)C 271570a_203496583355_100012340597 [0,1,1,0,0,0|2,0,0]=4 1750 B12R1.1703 COC(=O)c1ccc(cc1O)Cl 271570a_203496583355_100000047510 [0,1,1,0,0,0|2,0,0]=4 1751 B12R1.1703 COC(=O)c1ccc(cc1O)F 271570a_203496583355_100000204356 [0,1,1,0,0,0|2,0,0]=4 1752 B12R1.1703 COC(=O)c1ccc(cc1O)N 271570a_203496583355_100009998378 [0,1,1,0,0,0|2,0,0]=4 1753 B12R1.1703 COC(=O)c1ccc(cc1O)O 271570a_203496583355_100000062286 [0,1,1,0,0,0|2,0,0]=4 1754 B12R1.1703 COC(=O)c1ccc(cc1O)O 271570a_203496583355_100010150825 [0,1,1,0,0,0|2,0,0]=4 1755 B12R1.3441 CCC(=O)c1c(cccc1Br)O 1458a_100011935254_100000210202 [0,1,1,0,0,0|1,0,1]=4 1756 B12R1.3441 CCC(=O)c1c(cccc1Cl)O 1458a_100000745519_100000210202 [0,1,1,0,0,0|1,0,1]=4 1757 B12R1.3441 CCC(=O)c1c(cccc1F)O 1458a_100000763259_100000210202 [0,1,1,0,0,0|1,0,1]=4 1758 B12R1.3441 CCC(=O)c1c(cccc1O)C 1458a_100011934116_100000210202 [0,1,1,0,0,0|1,0,1]=4 1759 B12R1.3441 CCC(=O)c1c(cccc1O)O 1458a_100000755285_100000210202 [0,1,1,0,0,0|1,0,1]=4 1760 B12R1.3441 CNC(=O)c1c(cccc1Br)O 240690a_100102657272_100011935254 [0,1,1,0,0,0|2,0,0]=4 1761 B12R1.3441 CNC(=O)c1c(cccc1Br)O 527a_100102657272_100011935254 [0,1,1,0,0,0|2,0,0]=4 1762 B12R1.3441 CNC(=O)c1c(cccc1Cl)O 240690a_100102657272_100000745519 [0,1,1,0,0,0|2,0,0]=4 1763 B12R1.3441 CNC(=O)c1c(cccc1Cl)O 527a_100102657272_100000745519 [0,1,1,0,0,0|2,0,0]=4 1764 B12R1.3441 CNC(=O)c1c(cccc1F)O 271570a_203496583355_100012642803 [0,1,1,0,0,0|2,0,0]=4 1765 B12R1.3441 CNC(=O)c1c(cccc1F)O 527a_100102657272_100000763259 [0,1,1,0,0,0|2,0,0]=4 1766 B12R1.3441 CNC(=O)c1c(cccc1O)O 527a_100102657272_100000755285 [0,1,1,0,0,0|2,0,0]=4 1767 B12R1.3441 COC(=O)c1c(cccc1Br)O 271570a_203496583355_100010247157 [0,1,1,0,0,0|2,0,0]=4 1768 B12R1.3441 COC(=O)c1c(cccc1Cl)O 271570a_203496583355_100010150959 [0,1,1,0,0,0|2,0,0]=4 1769 B12R1.3441 COC(=O)c1c(cccc1F)O 271570a_203496583355_100000150693 [0,1,1,0,0,0|2,0,0]=4 1770 B12R1.3441 COC(=O)c1c(cccc1O)C 271570a_203496583355_100010204206 [0,1,1,0,0,0|2,0,0]=4 1771 B12R1.3441 COC(=O)c1c(cccc1O)N 271570a_203496583355_100010253892 [0,1,1,0,0,0|2,0,0]=4 1772 B12R2.1 C=Cc1coc2c1cccc2 271570a_100011290941_100009812202 [1,1,0,0,0,0|0,0,1]=3 1773 B12R2.1 C=Cc1coc2c1nccc2 271570a_100011290941_100009889148 [1,1,0,0,0,0|1,0,1]=4 1774 B12R2.1 C=Cc1csc2c1cccc2 271570a_100011290941_100009813928 [1,1,0,0,0,0|0,1,1]=4 1775 B12R2.1 CNC1COc2c1cccc2 2230a_100000747519_200000210301 [1,1,0,0,0,0|0,0,2]=4 1776 B12R2.1 COc1csc2c1cccc2 34a_100000077758_200000210301 [1,1,0,0,0,0|0,1,0]=3 1777 B12R2.1 COc1csc2c1cccc2 7a_100000077758_200000210301 [1,1,0,0,0,0|0,1,0]=3 1778 B12R2.1 CSc1c[nH]c2c1cccn2 62a_200000210301_100011934613 [1,1,0,0,0,0|2,0,0]=4 1779 B12R2.1 CSc1c[nH]c2c1ccnc2 62a_200000210301_100010232032 [1,1,0,0,0,0|2,0,0]=4 1780 B12R2.1 CSc1c[nH]c2c1cncc2 62a_200000210301_100000753697 [1,1,0,0,0,0|2,0,0]=4 1781 B12R2.1 CSc1c[nH]c2c1nccc2 62a_200000210301_100009817151 [1,1,0,0,0,0|2,0,0]=4 1782 B12R2.1 CSc1cnc2n1cccc2 62a_200000210301_100011219245 [1,1,0,0,0,0|2,0,0]=4 1783 B12R2.1 CSc1cnn2c1cccc2 62a_200000210301_100009817726 [1,1,0,0,0,0|2,0,0]=4 1784 B12R2.1 CSc1coc2c1cccc2 62a_200000210301_100009812202 [1,1,0,0,0,0|0,0,0]=2 1785 B12R2.1 CSc1coc2c1nccc2 62a_200000210301_100009889148 [1,1,0,0,0,0|1,0,0]=3 1786 B12R2.1 CSc1csc2c1cccc2 62a_200000210301_100009813928 [1,1,0,0,0,0|0,1,0]=3 1787 B12R2.1 CSc1csc2c1cccn2 62a_100009830249_200000210301 [1,1,0,0,0,0|1,1,0]=4 1788 B12R2.1 CSc1csc2c1cccn2 62a_200000210301_100009830249 [1,1,0,0,0,0|1,1,0]=4 1789 B12R2.1 CSc1csc2c1ccnc2 62a_100009817111_200000210301 [1,1,0,0,0,0|1,1,0]=4 1790 B12R2.1 CSc1csc2c1ccnc2 62a_200000210301_100009817111 [1,1,0,0,0,0|1,1,0]=4 1791 B12R2.1 CSc1csc2c1cncc2 62a_100010247091_200000210301 [1,1,0,0,0,0|1,1,0]=4 1792 B12R2.1 CSc1csc2c1cncc2 62a_200000210301_100010247091 [1,1,0,0,0,0|1,1,0]=4 1793 B12R2.1 CSc1csc2c1nccc2 62a_200000210301_100010247092 [1,1,0,0,0,0|1,1,0]=4 1794 B12R2.1 CSc1n[nH]c2c1cccc2 62a_200000210301_100000050141 [1,1,0,0,0,0|2,0,0]=4 1795 B12R2.1 CSc1noc2c1cccc2 62a_200000210301_200000703156 [1,1,0,0,0,0|1,0,0]=3 1796 B12R2.1 CSc1noc2c1cccc2 62a_200000703156_200000210301 [1,1,0,0,0,0|1,0,0]=3 1797 B12R2.1 [13CH3]NC1COc2c1cccc2 2230a_100000747519_200025704644 [1,1,0,0,0,0|0,0,2]=4 1798 B12R2.1 [13CH3]Oc1csc2c1cccc2 34a_100000077758_200025704644 [1,1,0,0,0,0|0,1,0]=3 1799 B12R2.1 [13CH3]Oc1csc2c1cccc2 7a_100000077758_200025704644 [1,1,0,0,0,0|0,1,0]=3 1800 B12R2.1 [13CH3]Sc1c[nH]c2c1cccn2 62a_200025704644_100011934613 [1,1,0,0,0,0|2,0,0]=4 1801 B12R2.1 [13CH3]Sc1c[nH]c2c1ccnc2 62a_200025704644_100010232032 [1,1,0,0,0,0|2,0,0]=4 1802 B12R2.1 [13CH3]Sc1c[nH]c2c1cncc2 62a_200025704644_100000753697 [1,1,0,0,0,0|2,0,0]=4 1803 B12R2.1 [13CH3]Sc1c[nH]c2c1nccc2 62a_200025704644_100009817151 [1,1,0,0,0,0|2,0,0]=4 1804 B12R2.1 [13CH3]Sc1cnc2n1cccc2 62a_200025704644_100011219245 [1,1,0,0,0,0|2,0,0]=4 1805 B12R2.1 [13CH3]Sc1cnn2c1cccc2 62a_200025704644_100009817726 [1,1,0,0,0,0|2,0,0]=4 1806 B12R2.1 [13CH3]Sc1coc2c1cccc2 62a_200025704644_100009812202 [1,1,0,0,0,0|0,0,0]=2 1807 B12R2.1 [13CH3]Sc1coc2c1nccc2 62a_200025704644_100009889148 [1,1,0,0,0,0|1,0,0]=3 1808 B12R2.1 [13CH3]Sc1csc2c1cccc2 62a_200025704644_100009813928 [1,1,0,0,0,0|0,1,0]=3 1809 B12R2.1 [13CH3]Sc1csc2c1cccn2 62a_100009830249_200025704644 [1,1,0,0,0,0|1,1,0]=4 1810 B12R2.1 [13CH3]Sc1csc2c1cccn2 62a_200025704644_100009830249 [1,1,0,0,0,0|1,1,0]=4 1811 B12R2.1 [13CH3]Sc1csc2c1ccnc2 62a_100009817111_200025704644 [1,1,0,0,0,0|1,1,0]=4 1812 B12R2.1 [13CH3]Sc1csc2c1ccnc2 62a_200025704644_100009817111 [1,1,0,0,0,0|1,1,0]=4 1813 B12R2.1 [13CH3]Sc1csc2c1cncc2 62a_100010247091_200025704644 [1,1,0,0,0,0|1,1,0]=4 1814 B12R2.1 [13CH3]Sc1csc2c1cncc2 62a_200025704644_100010247091 [1,1,0,0,0,0|1,1,0]=4 1815 B12R2.1 [13CH3]Sc1csc2c1nccc2 62a_200025704644_100010247092 [1,1,0,0,0,0|1,1,0]=4 1816 B12R2.1 [13CH3]Sc1n[nH]c2c1cccc2 62a_200025704644_100000050141 [1,1,0,0,0,0|2,0,0]=4 1817 B12R2.1 [13CH3]Sc1noc2c1cccc2 62a_200000703156_200025704644 [1,1,0,0,0,0|1,0,0]=3 1818 B12R2.1 [13CH3]Sc1noc2c1cccc2 62a_200025704644_200000703156 [1,1,0,0,0,0|1,0,0]=3 1819 B12R2.132 Cc1c[nH]c2c1cc(cc2)O 271570a_203496583355_100009816687 [1,1,0,0,0,0|1,0,0]=3 1820 B12R2.132 Cc1c[nH]c2c1cc(cn2)O 271570a_203496583355_100010202333 [1,1,0,0,0,0|2,0,0]=4 1821 B12R2.132 Cc1cnc2n1cc(cc2)O 271570a_203496583355_100012353388 [1,1,0,0,0,0|2,0,0]=4 1822 B12R2.132 Cc1coc2c1cc(cc2)O 271570a_203496583355_100000728893 [1,1,0,0,0,0|0,0,0]=2 1823 B12R2.132 Cc1csc2c1cc(cc2)O 271570a_203496583355_100009814196 [1,1,0,0,0,0|0,1,0]=3 1824 B12R2.132 Cc1n[nH]c2c1cc(cc2)O 271570a_203496583355_100102524909 [1,1,0,0,0,0|2,0,0]=4 1825 B12R2.132 Cc1noc2c1cc(cc2)O 271570a_203496583355_100010196875 [1,1,0,0,0,0|1,0,0]=3 1826 B12R2.132 Cn1ccc2c1cc(cc2)O 271570a_203496583355_100011934912 [1,1,0,0,0,0|2,0,0]=4 1827 B12R2.132 Cn1cnc2c1cc(cc2)O 271570a_203496583355_100000702186 [1,1,0,0,0,0|2,0,0]=4 1828 B12R2.132 Nc1ccc2scc(c2c1)O 271570a_203496583355_100011178648 [1,1,0,0,0,0|1,1,0]=4 1829 B12R2.132 Nc1noc2c1cc(cc2)O 271570a_203496583355_100012356444 [1,1,0,0,0,0|2,0,0]=4 1830 B12R2.132 O=C1COc2c1cc(cc2)O 271570a_203496583355_100000752586 [1,1,0,0,0,0|1,0,1]=4 1831 B12R2.132 O=c1[nH]oc2c1cc(cc2)O 271570a_203496583355_100000732257 [1,1,0,0,0,0|2,0,0]=4 1832 B12R2.196 Cc1c[nH]c2c1cccc2O 271570a_203496583355_100010186758 [1,1,0,0,0,0|1,0,0]=3 1833 B12R2.196 Cc1n[nH]c2c1cccc2O 271570a_203496583355_100010255084 [1,1,0,0,0,0|2,0,0]=4 1834 B12R2.196 Cn1ccc2c1cccc2O 271570a_203496583355_200011934935 [1,1,0,0,0,0|2,0,0]=4 1835 B12R2.196 Cn1cnc2c1cccc2O 271570a_203496583355_100000696766 [1,1,0,0,0,0|2,0,0]=4 1836 B12R2.196 Nc1noc2c1cccc2O 271570a_203496583355_100010069758 [1,1,0,0,0,0|2,0,0]=4 1837 B12R2.196 O=C1COc2c1cccc2O 271570a_203496583355_100011230590 [1,1,0,0,0,0|1,0,1]=4 1838 B12R2.203 Cc1c[nH]c2c1c(ccc2)O 271570a_203496583355_100010194227 [1,1,0,0,0,0|1,0,0]=3 1839 B12R2.203 Cc1c[nH]c2c1c(ccn2)O 271570a_203496583355_100009849662 [1,1,0,0,0,0|2,0,0]=4 1840 B12R2.203 Cc1n[nH]c2c1c(ccc2)O 271570a_203496583355_100010205804 [1,1,0,0,0,0|2,0,0]=4 1841 B12R2.203 Cn1ccc2c1c(ccc2)O 271570a_203496583355_100009817156 [1,1,0,0,0,0|2,0,0]=4 1842 B12R2.203 Cn1cnc2c1c(ccc2)O 271570a_203496583355_100010749505 [1,1,0,0,0,0|2,0,0]=4 1843 B12R2.203 Nc1nccc2c1c(co2)O 271570a_203496583355_200010135222 [1,1,0,0,0,0|2,0,0]=4 1844 B12R2.203 Nc1noc2c1c(ccc2)O 271570a_203496583355_100012361266 [1,1,0,0,0,0|2,0,0]=4 1845 B12R2.203 O=C1COc2c1c(ccc2)O 271570a_203496583355_100010205902 [1,1,0,0,0,0|1,0,1]=4 1846 B12R2.612 Cc1c[nH]c2c1ccc(c2)O 271570a_203496583355_100010209589 [1,1,0,0,0,0|1,0,0]=3 1847 B12R2.612 Cc1coc2c1ccc(c2)O 271570a_203496583355_100010775837 [1,1,0,0,0,0|0,0,0]=2 1848 B12R2.612 Cc1n[nH]c2c1ccc(c2)O 271570a_203496583355_100009816850 [1,1,0,0,0,0|2,0,0]=4 1849 B12R2.612 Cc1noc2c1ccc(c2)O 271570a_203496583355_100009815287 [1,1,0,0,0,0|1,0,0]=3 1850 B12R2.612 Cn1ccc2c1ccc(c2)O 271570a_203496583355_100011202928 [1,1,0,0,0,0|2,0,0]=4 1851 B12R2.612 Cn1cnc2c1ccc(c2)O 271570a_203496583355_100000718706 [1,1,0,0,0,0|2,0,0]=4 1852 B12R2.612 Nc1noc2c1ccc(c2)O 271570a_203496583355_100012356334 [1,1,0,0,0,0|2,0,0]=4 1853 B12R2.612 O=C1C=Cc2c1ccc(c2)O 271570a_203496583355_100010210589 [1,1,0,0,0,0|2,0,0]=4 1854 B12R2.612 O=C1COc2c1ccc(c2)O 271570a_203496583355_100000686717 [1,1,0,0,0,0|1,0,1]=4 1855 B12R2.612 Oc1ccc2c(noc2c1)O 271570a_203496583355_100000727085 [1,1,0,0,0,0|2,0,0]=4 1856 B12R2.32 C=Cc1cc2ccccc2[nH]1 271570a_100011290941_100010232065 [1,1,0,0,0,0|1,0,1]=4 1857 B12R2.32 C=Cc1cc2ccccc2o1 271570a_100011290941_100010159458 [1,1,0,0,0,0|0,0,1]=3 1858 B12R2.32 C=Cc1cc2ccccc2s1 271570a_100011290941_100009816949 [1,1,0,0,0,0|0,1,1]=4 1859 B12R2.32 CNc1nc2ccccc2[nH]1 27a_100102657272_100009814255 [1,1,0,0,0,0|2,0,0]=4 1860 B12R2.32 CNc1nc2ccccc2s1 27a_100102657272_100000751744 [1,1,0,0,0,0|1,1,0]=4 1861 B12R2.32 CSc1cc2ccccc2[nH]1 62a_200000210301_100010232065 [1,1,0,0,0,0|1,0,0]=3 1862 B12R2.32 CSc1cc2ccccc2o1 62a_200000210301_100010159458 [1,1,0,0,0,0|0,0,0]=2 1863 B12R2.32 CSc1cc2ccccc2s1 62a_200000210301_100009816949 [1,1,0,0,0,0|0,1,0]=3 1864 B12R2.32 CSc1cc2cccnc2[nH]1 62a_200000210301_100010079843 [1,1,0,0,0,0|2,0,0]=4 1865 B12R2.32 CSc1cn2ccccc2n1 62a_200000210301_100009819586 [1,1,0,0,0,0|2,0,0]=4 1866 B12R2.32 CSc1nc2ccccc2[nH]1 62a_200000210301_100009814255 [1,1,0,0,0,0|2,0,0]=4 1867 B12R2.32 CSc1nc2ccccc2s1 62a_200000210301_100000751744 [1,1,0,0,0,0|1,1,0]=4 1868 B12R2.32 [13CH3]Sc1cc2ccccc2[nH]1 62a_200025704644_100010232065 [1,1,0,0,0,0|1,0,0]=3 1869 B12R2.32 [13CH3]Sc1cc2ccccc2o1 62a_200025704644_100010159458 [1,1,0,0,0,0|0,0,0]=2 1870 B12R2.32 [13CH3]Sc1cc2ccccc2s1 62a_200025704644_100009816949 [1,1,0,0,0,0|0,1,0]=3 1871 B12R2.32 [13CH3]Sc1cc2cccnc2[nH]1 62a_200025704644_100010079843 [1,1,0,0,0,0|2,0,0]=4 1872 B12R2.32 [13CH3]Sc1cn2ccccc2n1 62a_200025704644_100009819586 [1,1,0,0,0,0|2,0,0]=4 1873 B12R2.32 [13CH3]Sc1nc2ccccc2[nH]1 62a_200025704644_100009814255 [1,1,0,0,0,0|2,0,0]=4 1874 B12R2.32 [13CH3]Sc1nc2ccccc2s1 62a_200025704644_100000751744 [1,1,0,0,0,0|1,1,0]=4 1875 B12R2.202 CC1=Cc2cccc(c2C1)O 271570a_203496583355_100010271545 [1,1,0,0,0,0|1,0,0]=3 1876 B12R2.202 Cc1cc2c(cccc2[nH]1)O 271570a_203496583355_100010143266 [1,1,0,0,0,0|1,0,0]=3 1877 B12R2.202 Cc1cc2c(ccnc2[nH]1)O 271570a_203496583355_100010202352 [1,1,0,0,0,0|2,0,0]=4 1878 B12R2.202 Cc1cn2c(cccc2n1)O 271570a_203496583355_100009817088 [1,1,0,0,0,0|2,0,0]=4 1879 B12R2.202 Cc1nc2c(cccc2[nH]1)O 271570a_203496583355_100012360556 [1,1,0,0,0,0|2,0,0]=4 1880 B12R2.202 Cc1nc2c(cccc2o1)O 271570a_203496583355_100010883239 [1,1,0,0,0,0|1,0,0]=3 1881 B12R2.202 Cc1nc2c(cccc2s1)O 271570a_203496583355_100010236672 [1,1,0,0,0,0|1,1,0]=4 1882 B12R2.202 Cc1nc2cccc(c2o1)O 271570a_203496583355_100010168998 [1,1,0,0,0,0|1,0,0]=3 1883 B12R2.202 Cc1nc2cccc(c2s1)O 271570a_203496583355_100010236699 [1,1,0,0,0,0|1,1,0]=4 1884 B12R2.202 Cc1nc2cncc(c2o1)O 271570a_203496583355_100010197357 [1,1,0,0,0,0|2,0,0]=4 1885 B12R2.202 Cn1cc2c(cccc2n1)O 271570a_203496583355_100009817162 [1,1,0,0,0,0|2,0,0]=4 1886 B12R2.202 Cn1cc2cccc(c2n1)O 271570a_203496583355_100009817170 [1,1,0,0,0,0|2,0,0]=4 1887 B12R2.202 Nc1cc2cccc(c2s1)O 271570a_203496583355_100010090802 [1,1,0,0,0,0|1,1,0]=4 1888 B12R2.202 Nc1nc2cccc(c2o1)O 271570a_203496583355_100012347120 [1,1,0,0,0,0|2,0,0]=4 1889 B12R2.202 O=c1[nH]c2cccc(c2o1)O 271570a_203496583355_100012360093 [1,1,0,0,0,0|2,0,0]=4 1890 B12R2.202 Oc1cc2cccc(c2[nH]1)Br 271570a_203496583355_100135389745 [1,1,0,0,0,0|2,0,0]=4 1891 B12R2.606 Cc1cc2cc(ccc2[nH]1)O 271570a_203496583355_100011214893 [1,1,0,0,0,0|1,0,0]=3 1892 B12R2.606 Cc1cc2cc(ccc2s1)O 271570a_203496583355_100000695401 [1,1,0,0,0,0|0,1,0]=3 1893 B12R2.606 Cc1cc2cc(cnc2[nH]1)O 271570a_203496583355_100010202332 [1,1,0,0,0,0|2,0,0]=4 1894 B12R2.606 Cc1cc2ccc(cc2[nH]1)O 271570a_203496583355_100010196937 [1,1,0,0,0,0|1,0,0]=3 1895 B12R2.606 Cc1cc2ncc(cc2[nH]1)O 271570a_203496583355_100010168555 [1,1,0,0,0,0|2,0,0]=4 1896 B12R2.606 Cc1cn2cc(ccc2n1)O 271570a_203496583355_100000194050 [1,1,0,0,0,0|2,0,0]=4 1897 B12R2.606 Cc1cn2ccc(cc2n1)O 271570a_203496583355_100000724326 [1,1,0,0,0,0|2,0,0]=4 1898 B12R2.606 Cc1nc2cc(ccc2[nH]1)O 271570a_203496583355_100011264012 [1,1,0,0,0,0|2,0,0]=4 1899 B12R2.606 Cc1nc2cc(ccc2o1)O 271570a_203496583355_100009816932 [1,1,0,0,0,0|1,0,0]=3 1900 B12R2.606 Cc1nc2cc(ccc2s1)O 271570a_203496583355_100009813953 [1,1,0,0,0,0|1,1,0]=4 1901 B12R2.606 Cc1nc2cc(cnc2o1)O 271570a_203496583355_100010178690 [1,1,0,0,0,0|2,0,0]=4 1902 B12R2.606 Cc1nc2ccc(cc2o1)O 271570a_203496583355_100010171164 [1,1,0,0,0,0|1,0,0]=3 1903 B12R2.606 Cc1nc2ccc(cc2s1)O 271570a_203496583355_100009813144 [1,1,0,0,0,0|1,1,0]=4 1904 B12R2.606 Cc1nc2ncc(cc2o1)O 271570a_203496583355_100010235748 [1,1,0,0,0,0|2,0,0]=4 1905 B12R2.606 Cn1cc2cc(ccc2n1)O 271570a_203496583355_100009817163 [1,1,0,0,0,0|2,0,0]=4 1906 B12R2.606 Cn1cc2ccc(cc2n1)O 271570a_203496583355_100009817169 [1,1,0,0,0,0|2,0,0]=4 1907 B12R2.606 Nc1nc2cc(ccc2o1)O 271570a_203496583355_100000737949 [1,1,0,0,0,0|2,0,0]=4 1908 B12R2.606 Nc1nc2ccc(cc2o1)O 271570a_203496583355_100010000678 [1,1,0,0,0,0|2,0,0]=4 1909 B12R2.606 O=c1[nH]c2cc(ccc2o1)O 271570a_203496583355_100000764829 [1,1,0,0,0,0|2,0,0]=4 1910 B12R2.606 O=c1[nH]c2ccc(cc2o1)O 271570a_203496583355_100000697996 [1,1,0,0,0,0|2,0,0]=4 1911 B12R2.606 Oc1cc2cc(ccc2[nH]1)Br 271570a_203496583355_100011012855 [1,1,0,0,0,0|2,0,0]=4 1912 B12R2.606 Oc1cc2cc(ccc2s1)Br 271570a_203496583355_200010198765 [1,1,0,0,0,0|1,1,0]=4 1913 B14R2.92 C=Cc1ccc2ccccc2c1C 271570a_100011290941_100010221197 [0,1,0,0,0,1|1,0,1]=4 1914 B14R2.92 C=Cc1coc2ccccc2c1=O 271570a_100011290941_100009813851 [0,1,0,0,0,1|1,0,1]=4 1915 B14R2.92 CNc1ccc2ccccc2c1Br 34a_100000705303_200000210301 [0,1,0,0,0,1|2,0,0]=4 1916 B14R2.92 CNc1ccc2ccccc2c1Cl 34a_100000075557_200000210301 [0,1,0,0,0,1|2,0,0]=4 1917 B14R2.92 CNc1ccc2ccccc2c1O 34a_100000007060_200000210301 [0,1,0,0,0,1|2,0,0]=4 1918 B14R2.92 COc1ccc2ccccc2c1Br 34a_100000183829_200000210301 [0,1,0,0,0,1|2,0,0]=4 1919 B14R2.92 COc1ccc2ccccc2c1Br 7a_100000183829_200000210301 [0,1,0,0,0,1|2,0,0]=4 1920 B14R2.92 COc1ccc2ccccc2c1C 34a_100009830054_200000210301 [0,1,0,0,0,1|1,0,0]=3 1921 B14R2.92 COc1ccc2ccccc2c1C 7a_100009830054_200000210301 [0,1,0,0,0,1|1,0,0]=3 1922 B14R2.92 COc1ccc2ccccc2c1Cl 34a_100000029778_200000210301 [0,1,0,0,0,1|2,0,0]=4 1923 B14R2.92 COc1ccc2ccccc2c1Cl 7a_100000029778_200000210301 [0,1,0,0,0,1|2,0,0]=4 1924 B14R2.92 COc1ccc2ccccc2c1I 34a_100000041551_200000210301 [0,1,0,0,0,1|2,0,0]=4 1925 B14R2.92 COc1ccc2ccccc2c1I 7a_100000041551_200000210301 [0,1,0,0,0,1|2,0,0]=4 1926 B14R2.92 COc1ccc2ccccc2c1N 34a_100000007056_200000210301 [0,1,0,0,0,1|2,0,0]=4 1927 B14R2.92 COc1ccc2ccccc2c1N 7a_100000007056_200000210301 [0,1,0,0,0,1|2,0,0]=4 1928 B14R2.92 COc1ccc2ccccc2c1O 271570a_203496583355_100000173347 [0,1,0,0,0,1|2,0,0]=4 1929 B14R2.92 CSc1c[nH]c2ccccc2c1=O 62a_200000210301_100012348052 [0,1,0,0,0,1|2,0,0]=4 1930 B14R2.92 CSc1ccc2ccccc2c1Br 62a_200000210301_200010089984 [0,1,0,0,0,1|2,0,0]=4 1931 B14R2.92 CSc1ccc2ccccc2c1Br 62a_200010089984_200000210301 [0,1,0,0,0,1|2,0,0]=4 1932 B14R2.92 CSc1ccc2ccccc2c1C 62a_100010221197_200000210301 [0,1,0,0,0,1|1,0,0]=3 1933 B14R2.92 CSc1ccc2ccccc2c1C 62a_200000210301_100010221197 [0,1,0,0,0,1|1,0,0]=3 1934 B14R2.92 CSc1ccc2ccccc2c1F 62a_100009832041_200000210301 [0,1,0,0,0,1|2,0,0]=4 1935 B14R2.92 CSc1ccc2ccccc2c1F 62a_200000210301_100009832041 [0,1,0,0,0,1|2,0,0]=4 1936 B14R2.92 CSc1ccc2ccccc2c1N 62a_100009817101_200000210301 [0,1,0,0,0,1|2,0,0]=4 1937 B14R2.92 CSc1ccc2ccccc2c1O 62a_200000210301_100009996032 [0,1,0,0,0,1|2,0,0]=4 1938 B14R2.92 CSc1ccc2cccnc2c1C 62a_200000210301_100010214467 [0,1,0,0,0,1|2,0,0]=4 1939 B14R2.92 CSc1ccc2ncccc2c1C 62a_200000210301_200010137439 [0,1,0,0,0,1|2,0,0]=4 1940 B14R2.92 CSc1ccc2ncccc2c1C 62a_200010137439_200000210301 [0,1,0,0,0,1|2,0,0]=4 1941 B14R2.92 CSc1cnc2ccccc2c1Cl 62a_200000210301_100012352519 [0,1,0,0,0,1|2,0,0]=4 1942 B14R2.92 CSc1cnc2ccccc2c1N 62a_100009995562_200000210301 [0,1,0,0,0,1|2,0,0]=4 1943 B14R2.92 CSc1cnc2ccccc2c1N 62a_200000210301_100009995562 [0,1,0,0,0,1|2,0,0]=4 1944 B14R2.92 CSc1coc2ccccc2c1=O 62a_200000210301_100009813851 [0,1,0,0,0,1|1,0,0]=3 1945 B14R2.92 CSc1ncc2ccccc2c1N 62a_100009995564_200000210301 [0,1,0,0,0,1|2,0,0]=4 1946 B14R2.92 CSc1ncc2ccccc2c1N 62a_200000210301_100000087573 [0,1,0,0,0,1|2,0,0]=4 1947 B14R2.92 CSc1nnc2ccccc2c1O 62a_200000210301_100000688347 [0,1,0,0,0,1|2,0,0]=4 1948 B14R2.92 Cc1c(ccc2c1cccc2)O[13CH3] 34a_100009830054_200025704644 [0,1,0,0,0,1|1,0,0]=3 1949 B14R2.92 Cc1c(ccc2c1cccc2)O[13CH3] 7a_100009830054_200025704644 [0,1,0,0,0,1|1,0,0]=3 1950 B14R2.92 Cc1c(ccc2c1cccc2)S[13CH3] 62a_100010221197_200025704644 [0,1,0,0,0,1|1,0,0]=3 1951 B14R2.92 Cc1c(ccc2c1cccc2)S[13CH3] 62a_200025704644_100010221197 [0,1,0,0,0,1|1,0,0]=3 1952 B14R2.92 Cc1c(ccc2c1cccn2)S[13CH3] 62a_200010137439_200025704644 [0,1,0,0,0,1|2,0,0]=4 1953 B14R2.92 Cc1c(ccc2c1cccn2)S[13CH3] 62a_200025704644_200010137439 [0,1,0,0,0,1|2,0,0]=4 1954 B14R2.92 Cc1c(ccc2c1nccc2)S[13CH3] 62a_200025704644_100010214467 [0,1,0,0,0,1|2,0,0]=4 1955 B14R2.92 [13CH3]Nc1ccc2ccccc2c1Br 34a_100000705303_200025704644 [0,1,0,0,0,1|2,0,0]=4 1956 B14R2.92 [13CH3]Nc1ccc2ccccc2c1Cl 34a_100000075557_200025704644 [0,1,0,0,0,1|2,0,0]=4 1957 B14R2.92 [13CH3]Nc1ccc2ccccc2c1O 34a_100000007060_200025704644 [0,1,0,0,0,1|2,0,0]=4 1958 B14R2.92 [13CH3]Oc1ccc2ccccc2c1Br 34a_100000183829_200025704644 [0,1,0,0,0,1|2,0,0]=4 1959 B14R2.92 [13CH3]Oc1ccc2ccccc2c1Br 7a_100000183829_200025704644 [0,1,0,0,0,1|2,0,0]=4 1960 B14R2.92 [13CH3]Oc1ccc2ccccc2c1Cl 34a_100000029778_200025704644 [0,1,0,0,0,1|2,0,0]=4 1961 B14R2.92 [13CH3]Oc1ccc2ccccc2c1Cl 7a_100000029778_200025704644 [0,1,0,0,0,1|2,0,0]=4 1962 B14R2.92 [13CH3]Oc1ccc2ccccc2c1I 34a_100000041551_200025704644 [0,1,0,0,0,1|2,0,0]=4 1963 B14R2.92 [13CH3]Oc1ccc2ccccc2c1I 7a_100000041551_200025704644 [0,1,0,0,0,1|2,0,0]=4 1964 B14R2.92 [13CH3]Oc1ccc2ccccc2c1N 34a_100000007056_200025704644 [0,1,0,0,0,1|2,0,0]=4 1965 B14R2.92 [13CH3]Oc1ccc2ccccc2c1N 7a_100000007056_200025704644 [0,1,0,0,0,1|2,0,0]=4 1966 B14R2.92 [13CH3]Sc1c[nH]c2ccccc2c1=O 62a_200025704644_100012348052 [0,1,0,0,0,1|2,0,0]=4 1967 B14R2.92 [13CH3]Sc1ccc2ccccc2c1Br 62a_200010089984_200025704644 [0,1,0,0,0,1|2,0,0]=4 1968 B14R2.92 [13CH3]Sc1ccc2ccccc2c1Br 62a_200025704644_200010089984 [0,1,0,0,0,1|2,0,0]=4 1969 B14R2.92 [13CH3]Sc1ccc2ccccc2c1F 62a_100009832041_200025704644 [0,1,0,0,0,1|2,0,0]=4 1970 B14R2.92 [13CH3]Sc1ccc2ccccc2c1F 62a_200025704644_100009832041 [0,1,0,0,0,1|2,0,0]=4 1971 B14R2.92 [13CH3]Sc1ccc2ccccc2c1N 62a_100009817101_200025704644 [0,1,0,0,0,1|2,0,0]=4 1972 B14R2.92 [13CH3]Sc1ccc2ccccc2c1O 62a_200025704644_100009996032 [0,1,0,0,0,1|2,0,0]=4 1973 B14R2.92 [13CH3]Sc1cnc2ccccc2c1Cl 62a_200025704644_100012352519 [0,1,0,0,0,1|2,0,0]=4 1974 B14R2.92 [13CH3]Sc1cnc2ccccc2c1N 62a_100009995562_200025704644 [0,1,0,0,0,1|2,0,0]=4 1975 B14R2.92 [13CH3]Sc1cnc2ccccc2c1N 62a_200025704644_100009995562 [0,1,0,0,0,1|2,0,0]=4 1976 B14R2.92 [13CH3]Sc1coc2ccccc2c1=O 62a_200025704644_100009813851 [0,1,0,0,0,1|1,0,0]=3 1977 B14R2.92 [13CH3]Sc1ncc2ccccc2c1N 62a_100009995564_200025704644 [0,1,0,0,0,1|2,0,0]=4 1978 B14R2.92 [13CH3]Sc1ncc2ccccc2c1N 62a_200025704644_100000087573 [0,1,0,0,0,1|2,0,0]=4 1979 B14R2.92 [13CH3]Sc1nnc2ccccc2c1O 62a_200025704644_100000688347 [0,1,0,0,0,1|2,0,0]=4 1980 B14R2.203 C=Cc1c(ccc2c1cccc2)C 271570a_100011290941_100000759710 [0,1,0,0,0,1|1,0,1]=4 1981 B14R2.203 C=Cc1c(cnc2c1cccc2)C 271570a_100011290941_100000092342 [0,1,0,0,0,1|1,0,1]=4 1982 B14R2.203 CNc1c(ccc2c1cccc2)Br 34a_100009817101_200000210301 [0,1,0,0,0,1|2,0,0]=4 1983 B14R2.203 CNc1c(ccc2c1cccc2)C 34a_100000688109_200000210301 [0,1,0,0,0,1|1,0,0]=3 1984 B14R2.203 CNc1c(ccc2c1cccc2)Cl 34a_200009860907_200000210301 [0,1,0,0,0,1|2,0,0]=4 1985 B14R2.203 CNc1c(ccc2c1cccc2)O 34a_100000007056_200000210301 [0,1,0,0,0,1|2,0,0]=4 1986 B14R2.203 CNc1c(ccc2c1cccn2)C 34a_100011933972_200000210301 [0,1,0,0,0,1|2,0,0]=4 1987 B14R2.203 CNc1c(ccc2c1nccc2)C 34a_100000065890_200000210301 [0,1,0,0,0,1|2,0,0]=4 1988 B14R2.203 CNc1c(cnc2c1cccc2)C 27a_100102657272_100000092342 [0,1,0,0,0,1|1,0,0]=3 1989 B14R2.203 COc1c(ccc2c1cccc2)Br 34a_100009996032_200000210301 [0,1,0,0,0,1|2,0,0]=4 1990 B14R2.203 COc1c(ccc2c1cccc2)Br 7a_100009996032_200000210301 [0,1,0,0,0,1|2,0,0]=4 1991 B14R2.203 COc1c(ccc2c1cccc2)C 34a_100000039261_200000210301 [0,1,0,0,0,1|1,0,0]=3 1992 B14R2.203 COc1c(ccc2c1cccc2)C 7a_100000039261_200000210301 [0,1,0,0,0,1|1,0,0]=3 1993 B14R2.203 COc1c(ccc2c1cccc2)N 34a_100000007060_200000210301 [0,1,0,0,0,1|2,0,0]=4 1994 B14R2.203 COc1c(ccc2c1cccc2)O 271570a_203496583355_100010089960 [0,1,0,0,0,1|2,0,0]=4 1995 B14R2.203 CSc1c(ccc2c1cccc2)Br 62a_100010090040_200000210301 [0,1,0,0,0,1|2,0,0]=4 1996 B14R2.203 CSc1c(ccc2c1cccc2)Br 62a_200000210301_100010090040 [0,1,0,0,0,1|2,0,0]=4 1997 B14R2.203 CSc1c(ccc2c1cccc2)C 62a_100000759710_200000210301 [0,1,0,0,0,1|1,0,0]=3 1998 B14R2.203 CSc1c(ccc2c1cccc2)C 62a_200000210301_100000759710 [0,1,0,0,0,1|1,0,0]=3 1999 B14R2.203 CSc1c(ccc2c1cccc2)N 62a_100000705303_200000210301 [0,1,0,0,0,1|2,0,0]=4 2000 B14R2.203 CSc1c(ccc2c1cccc2)N 62a_200000210301_100000705303 [0,1,0,0,0,1|2,0,0]=4 2001 B14R2.203 CSc1c(ccc2c1cccc2)O 62a_200000210301_100000183829 [0,1,0,0,0,1|2,0,0]=4 2002 B14R2.203 CSc1c(ccc2c1ccnc2)C 62a_100010204589_200000210301 [0,1,0,0,0,1|2,0,0]=4 2003 B14R2.203 CSc1c(ccc2c1ccnc2)C 62a_200000210301_100010204589 [0,1,0,0,0,1|2,0,0]=4 2004 B14R2.203 CSc1c(cnc2c1cccc2)Br 62a_200000210301_200010179490 [0,1,0,0,0,1|2,0,0]=4 2005 B14R2.203 CSc1c(cnc2c1cccc2)Br 62a_200010179490_200000210301 [0,1,0,0,0,1|2,0,0]=4 2006 B14R2.203 CSc1c(cnc2c1cccc2)C 62a_200000210301_100000092342 [0,1,0,0,0,1|1,0,0]=3 2007 B14R2.203 CSc1c(cnc2c1cccc2)N 62a_100009995561_200000210301 [0,1,0,0,0,1|2,0,0]=4 2008 B14R2.203 CSc1c(cnc2c1cccc2)N 62a_200000210301_100012243074 [0,1,0,0,0,1|2,0,0]=4 2009 B14R2.203 CSc1c(ncc2c1cccc2)N 62a_100009994184_200000210301 [0,1,0,0,0,1|2,0,0]=4 2010 B14R2.203 CSc1c(ncc2c1cccc2)N 62a_200000210301_100009994184 [0,1,0,0,0,1|2,0,0]=4 2011 B14R2.203 Cc1ccc2ccccc2c1N[13CH3] 34a_100000688109_200025704644 [0,1,0,0,0,1|1,0,0]=3 2012 B14R2.203 Cc1ccc2ccccc2c1O[13CH3] 34a_100000039261_200025704644 [0,1,0,0,0,1|1,0,0]=3 2013 B14R2.203 Cc1ccc2ccccc2c1O[13CH3] 7a_100000039261_200025704644 [0,1,0,0,0,1|1,0,0]=3 2014 B14R2.203 Cc1ccc2ccccc2c1S[13CH3] 62a_100000759710_200025704644 [0,1,0,0,0,1|1,0,0]=3 2015 B14R2.203 Cc1ccc2ccccc2c1S[13CH3] 62a_200025704644_100000759710 [0,1,0,0,0,1|1,0,0]=3 2016 B14R2.203 Cc1ccc2cccnc2c1N[13CH3] 34a_100000065890_200025704644 [0,1,0,0,0,1|2,0,0]=4 2017 B14R2.203 Cc1ccc2cnccc2c1S[13CH3] 62a_100010204589_200025704644 [0,1,0,0,0,1|2,0,0]=4 2018 B14R2.203 Cc1ccc2cnccc2c1S[13CH3] 62a_200025704644_100010204589 [0,1,0,0,0,1|2,0,0]=4 2019 B14R2.203 Cc1ccc2ncccc2c1N[13CH3] 34a_100011933972_200025704644 [0,1,0,0,0,1|2,0,0]=4 2020 B14R2.203 Cc1cnc2ccccc2c1S[13CH3] 62a_200025704644_100000092342 [0,1,0,0,0,1|1,0,0]=3 2021 B14R2.203 [13CH3]Nc1c(ccc2c1cccc2)Br 34a_100009817101_200025704644 [0,1,0,0,0,1|2,0,0]=4 2022 B14R2.203 [13CH3]Nc1c(ccc2c1cccc2)Cl 34a_200009860907_200025704644 [0,1,0,0,0,1|2,0,0]=4 2023 B14R2.203 [13CH3]Nc1c(ccc2c1cccc2)O 34a_100000007056_200025704644 [0,1,0,0,0,1|2,0,0]=4 2024 B14R2.203 [13CH3]Oc1c(ccc2c1cccc2)Br 34a_100009996032_200025704644 [0,1,0,0,0,1|2,0,0]=4 2025 B14R2.203 [13CH3]Oc1c(ccc2c1cccc2)Br 7a_100009996032_200025704644 [0,1,0,0,0,1|2,0,0]=4 2026 B14R2.203 [13CH3]Oc1c(ccc2c1cccc2)N 34a_100000007060_200025704644 [0,1,0,0,0,1|2,0,0]=4 2027 B14R2.203 [13CH3]Sc1c(ccc2c1cccc2)Br 62a_100010090040_200025704644 [0,1,0,0,0,1|2,0,0]=4 2028 B14R2.203 [13CH3]Sc1c(ccc2c1cccc2)Br 62a_200025704644_100010090040 [0,1,0,0,0,1|2,0,0]=4 2029 B14R2.203 [13CH3]Sc1c(ccc2c1cccc2)N 62a_100000705303_200025704644 [0,1,0,0,0,1|2,0,0]=4 2030 B14R2.203 [13CH3]Sc1c(ccc2c1cccc2)N 62a_200025704644_100000705303 [0,1,0,0,0,1|2,0,0]=4 2031 B14R2.203 [13CH3]Sc1c(ccc2c1cccc2)O 62a_200025704644_100000183829 [0,1,0,0,0,1|2,0,0]=4 2032 B14R2.203 [13CH3]Sc1c(cnc2c1cccc2)Br 62a_200010179490_200025704644 [0,1,0,0,0,1|2,0,0]=4 2033 B14R2.203 [13CH3]Sc1c(cnc2c1cccc2)Br 62a_200025704644_200010179490 [0,1,0,0,0,1|2,0,0]=4 2034 B14R2.203 [13CH3]Sc1c(cnc2c1cccc2)N 62a_100009995561_200025704644 [0,1,0,0,0,1|2,0,0]=4 2035 B14R2.203 [13CH3]Sc1c(cnc2c1cccc2)N 62a_200025704644_100012243074 [0,1,0,0,0,1|2,0,0]=4 2036 B14R2.203 [13CH3]Sc1c(ncc2c1cccc2)N 62a_100009994184_200025704644 [0,1,0,0,0,1|2,0,0]=4 2037 B14R2.203 [13CH3]Sc1c(ncc2c1cccc2)N 62a_200025704644_100009994184 [0,1,0,0,0,1|2,0,0]=4 2038 B14R2.4513 CN1C(=O)COc2c1cc(cc2)O 271570a_203496583355_100010196913 [0,1,0,0,0,1|2,0,0]=4 2039 B14R2.4513 Cc1ccc2occ(c(=O)c2c1)O 271570a_203496583355_200010005421 [0,1,0,0,0,1|2,0,0]=4 2040 B14R2.4513 O=c1c(coc2c1cc(cc2)Cl)O 271570a_203496583355_200010204847 [0,1,0,0,0,1|2,0,0]=4 2041 B14R2.4513 O=c1c(coc2c1cc(cc2)F)O 271570a_203496583355_200009813772 [0,1,0,0,0,1|2,0,0]=4 2042 B14R2.8038 Cc1ccc2c(ccnc2c1C)O 271570a_203496583355_100011310510 [0,1,0,0,0,1|2,0,0]=4 2043 B14R2.8188 Cc1c(c(nc2c1cccc2)O)O 271570a_203496583355_100009820873 [0,1,0,0,0,1|2,0,0]=4 2044 B14R2.29369 CN1C(=O)COc2c1ccc(c2)O 271570a_203496583355_100010240413 [0,1,0,0,0,1|2,0,0]=4 2045 B14R2.1019 C=Cc1cc(c2ccccc2n1)C 271570a_100011290941_100012354972 [0,1,0,0,0,1|1,0,1]=4 2046 B14R2.1019 C=Cc1nc(c2ccccc2n1)C 271570a_100011290941_100000046098 [0,1,0,0,0,1|1,0,1]=4 2047 B14R2.1019 CNc1cc(c2ccccc2c1)Br 34a_100010089974_200000210301 [0,1,0,0,0,1|2,0,0]=4 2048 B14R2.1019 CNc1cc(c2ccccc2c1)Br 7a_100010089974_200000210301 [0,1,0,0,0,1|2,0,0]=4 2049 B14R2.1019 CNc1cc(c2ccccc2n1)C 27a_100102657272_100000184993 [0,1,0,0,0,1|1,0,0]=3 2050 B14R2.1019 CNc1nc(c2ccccc2n1)C 27a_100102657272_100000046098 [0,1,0,0,0,1|1,0,0]=3 2051 B14R2.1019 CNc1nc(c2ccccc2n1)N 27a_100102657272_100000690328 [0,1,0,0,0,1|2,0,0]=4 2052 B14R2.1019 CNc1nc(c2ccccc2n1)O 271570a_203496583355_200020830163 [0,1,0,0,0,1|2,0,0]=4 2053 B14R2.1019 CNc1nc(c2ccccc2n1)O 27a_100102657272_100000187174 [0,1,0,0,0,1|2,0,0]=4 2054 B14R2.1019 COc1cc(c2ccccc2c1)Br 34a_100010001680_200000210301 [0,1,0,0,0,1|2,0,0]=4 2055 B14R2.1019 COc1cc(c2ccccc2c1)Br 7a_100010001680_200000210301 [0,1,0,0,0,1|2,0,0]=4 2056 B14R2.1019 COc1cc(c2ccccc2c1)O 271570a_203496583355_100010152498 [0,1,0,0,0,1|2,0,0]=4 2057 B14R2.1019 COc1cc(c2ccccc2n1)O 271570a_203496583355_100009887561 [0,1,0,0,0,1|2,0,0]=4 2058 B14R2.1019 CSc1cc(=O)c2ccccc2[nH]1 62a_200000210301_100000090176 [0,1,0,0,0,1|2,0,0]=4 2059 B14R2.1019 CSc1cc(c2ccccc2c1)N 62a_100010171453_200000210301 [0,1,0,0,0,1|2,0,0]=4 2060 B14R2.1019 CSc1cc(c2ccccc2c1)N 62a_200000210301_100010171453 [0,1,0,0,0,1|2,0,0]=4 2061 B14R2.1019 CSc1cc(c2ccccc2c1)O 62a_200000210301_100010089979 [0,1,0,0,0,1|2,0,0]=4 2062 B14R2.1019 CSc1cc(c2ccccc2n1)C 62a_100012354972_200000210301 [0,1,0,0,0,1|1,0,0]=3 2063 B14R2.1019 CSc1cc(c2ccccc2n1)C 62a_200000210301_100000184993 [0,1,0,0,0,1|1,0,0]=3 2064 B14R2.1019 CSc1cc(c2ccccc2n1)N 62a_100010197925_200000210301 [0,1,0,0,0,1|2,0,0]=4 2065 B14R2.1019 CSc1cc(c2ncccc2c1)C 62a_200000210301_100010130319 [0,1,0,0,0,1|2,0,0]=4 2066 B14R2.1019 CSc1cc2ccccc2c(=O)[nH]1 62a_200000210301_200015811170 [0,1,0,0,0,1|2,0,0]=4 2067 B14R2.1019 CSc1cc2ccccc2c(n1)N 62a_100009957331_200000210301 [0,1,0,0,0,1|2,0,0]=4 2068 B14R2.1019 CSc1cc2ccccc2c(n1)N 62a_200000210301_100009957331 [0,1,0,0,0,1|2,0,0]=4 2069 B14R2.1019 CSc1nc(c2ccccc2n1)C 62a_100000046098_200000210301 [0,1,0,0,0,1|1,0,0]=3 2070 B14R2.1019 CSc1nc(c2ccccc2n1)C 62a_200000210301_100000046098 [0,1,0,0,0,1|1,0,0]=3 2071 B14R2.1019 CSc1nc(c2ccccc2n1)N 62a_100000690328_200000210301 [0,1,0,0,0,1|2,0,0]=4 2072 B14R2.1019 CSc1nc(c2ccccc2n1)O 271570a_203496583355_100012352766 [0,1,0,0,0,1|2,0,0]=4 2073 B14R2.1019 CSc1nc(c2ccccc2n1)O 62a_200000210301_100000187174 [0,1,0,0,0,1|2,0,0]=4 2074 B14R2.1019 Cc1cc(cc2c1nccc2)S[13CH3] 62a_200025704644_100010130319 [0,1,0,0,0,1|2,0,0]=4 2075 B14R2.1019 Cc1cc(nc2c1cccc2)S[13CH3] 62a_100012354972_200025704644 [0,1,0,0,0,1|1,0,0]=3 2076 B14R2.1019 Cc1cc(nc2c1cccc2)S[13CH3] 62a_200025704644_100000184993 [0,1,0,0,0,1|1,0,0]=3 2077 B14R2.1019 Cc1nc(nc2c1cccc2)S[13CH3] 62a_100000046098_200025704644 [0,1,0,0,0,1|1,0,0]=3 2078 B14R2.1019 Cc1nc(nc2c1cccc2)S[13CH3] 62a_200025704644_100000046098 [0,1,0,0,0,1|1,0,0]=3 2079 B14R2.1019 [13CH3]Nc1cc(c2ccccc2c1)Br 34a_100010089974_200025704644 [0,1,0,0,0,1|2,0,0]=4 2080 B14R2.1019 [13CH3]Nc1cc(c2ccccc2c1)Br 7a_100010089974_200025704644 [0,1,0,0,0,1|2,0,0]=4 2081 B14R2.1019 [13CH3]Oc1cc(c2ccccc2c1)Br 34a_100010001680_200025704644 [0,1,0,0,0,1|2,0,0]=4 2082 B14R2.1019 [13CH3]Oc1cc(c2ccccc2c1)Br 7a_100010001680_200025704644 [0,1,0,0,0,1|2,0,0]=4 2083 B14R2.1019 [13CH3]Sc1cc(=O)c2ccccc2[nH]1 62a_200025704644_100000090176 [0,1,0,0,0,1|2,0,0]=4 2084 B14R2.1019 [13CH3]Sc1cc(c2ccccc2c1)N 62a_100010171453_200025704644 [0,1,0,0,0,1|2,0,0]=4 2085 B14R2.1019 [13CH3]Sc1cc(c2ccccc2c1)N 62a_200025704644_100010171453 [0,1,0,0,0,1|2,0,0]=4 2086 B14R2.1019 [13CH3]Sc1cc(c2ccccc2c1)O 62a_200025704644_100010089979 [0,1,0,0,0,1|2,0,0]=4 2087 B14R2.1019 [13CH3]Sc1cc(c2ccccc2n1)N 62a_100010197925_200025704644 [0,1,0,0,0,1|2,0,0]=4 2088 B14R2.1019 [13CH3]Sc1cc2ccccc2c(=O)[nH]1 62a_200025704644_200015811170 [0,1,0,0,0,1|2,0,0]=4 2089 B14R2.1019 [13CH3]Sc1cc2ccccc2c(n1)N 62a_100009957331_200025704644 [0,1,0,0,0,1|2,0,0]=4 2090 B14R2.1019 [13CH3]Sc1cc2ccccc2c(n1)N 62a_200025704644_100009957331 [0,1,0,0,0,1|2,0,0]=4 2091 B14R2.1019 [13CH3]Sc1nc(c2ccccc2n1)N 62a_100000690328_200025704644 [0,1,0,0,0,1|2,0,0]=4 2092 B14R2.1019 [13CH3]Sc1nc(c2ccccc2n1)O 62a_200025704644_100000187174 [0,1,0,0,0,1|2,0,0]=4 2093 B14R2.1146 C=Cc1cc(nc2c1cccc2)C 271570a_100011290941_100000764982 [0,1,0,0,0,1|1,0,1]=4 2094 B14R2.1146 C=Cc1nc(cc2c1cccc2)C 271570a_100011290941_100000698243 [0,1,0,0,0,1|1,0,1]=4 2095 B14R2.1146 C=Cc1nc(nc2c1cccc2)C 271570a_100011290941_100000230251 [0,1,0,0,0,1|1,0,1]=4 2096 B14R2.1146 CNc1cc(=O)[nH]c2c1cccc2 27a_100102657272_100000075698 [0,1,0,0,0,1|2,0,0]=4 2097 B14R2.1146 CNc1cc(cc2c1cccc2)Br 34a_100010171453_200000210301 [0,1,0,0,0,1|2,0,0]=4 2098 B14R2.1146 CNc1cc(nc2c1cccc2)C 27a_100102657272_100000735862 [0,1,0,0,0,1|1,0,0]=3 2099 B14R2.1146 CNc1cc(nc2c1cccn2)C 27a_100102657272_100009885123 [0,1,0,0,0,1|2,0,0]=4 2100 B14R2.1146 CNc1nc(cc2c1cccc2)C 27a_100102657272_100000698243 [0,1,0,0,0,1|1,0,0]=3 2101 B14R2.1146 CNc1nc(nc2c1cccc2)C 27a_100102657272_100000230251 [0,1,0,0,0,1|1,0,0]=3 2102 B14R2.1146 COc1cc(cc2c1cccc2)Br 34a_100010089979_200000210301 [0,1,0,0,0,1|2,0,0]=4 2103 B14R2.1146 COc1cc(cc2c1cccc2)Br 7a_100010089979_200000210301 [0,1,0,0,0,1|2,0,0]=4 2104 B14R2.1146 COc1cc(cc2c1nccc2)C 34a_100009888445_200000210301 [0,1,0,0,0,1|2,0,0]=4 2105 B14R2.1146 COc1cc(cc2c1nccc2)C 7a_100009888445_200000210301 [0,1,0,0,0,1|2,0,0]=4 2106 B14R2.1146 COc1cc(nc2c1cccc2)C 34a_100000698765_200000210301 [0,1,0,0,0,1|1,0,0]=3 2107 B14R2.1146 COc1cc(nc2c1cccc2)O 271570a_203496583355_200010892118 [0,1,0,0,0,1|2,0,0]=4 2108 B14R2.1146 CSc1cc(=O)[nH]c2c1cccc2 62a_200000210301_100000075698 [0,1,0,0,0,1|2,0,0]=4 2109 B14R2.1146 CSc1cc(cc2c1cccc2)N 62a_100010089974_200000210301 [0,1,0,0,0,1|2,0,0]=4 2110 B14R2.1146 CSc1cc(cc2c1cccc2)N 62a_200000210301_100010089974 [0,1,0,0,0,1|2,0,0]=4 2111 B14R2.1146 CSc1cc(cc2c1cccc2)O 62a_200000210301_100010001680 [0,1,0,0,0,1|2,0,0]=4 2112 B14R2.1146 CSc1cc(cc2c1nccc2)C 62a_200000210301_100010113427 [0,1,0,0,0,1|2,0,0]=4 2113 B14R2.1146 CSc1cc(nc2c1cccc2)C 62a_100000764982_200000210301 [0,1,0,0,0,1|1,0,0]=3 2114 B14R2.1146 CSc1cc(nc2c1cccc2)C 62a_200000210301_100000735862 [0,1,0,0,0,1|1,0,0]=3 2115 B14R2.1146 CSc1cc(nc2c1cccn2)C 62a_100009885123_200000210301 [0,1,0,0,0,1|2,0,0]=4 2116 B14R2.1146 CSc1cc(nc2c1cccn2)C 62a_200000210301_100009885123 [0,1,0,0,0,1|2,0,0]=4 2117 B14R2.1146 CSc1nc(cc2c1cccc2)C 62a_200000210301_100000698243 [0,1,0,0,0,1|1,0,0]=3 2118 B14R2.1146 CSc1nc(cc2c1cccc2)N 62a_100009814382_200000210301 [0,1,0,0,0,1|2,0,0]=4 2119 B14R2.1146 CSc1nc(cc2c1cccc2)N 62a_200000210301_100009814382 [0,1,0,0,0,1|2,0,0]=4 2120 B14R2.1146 CSc1nc(nc2c1cccc2)C 62a_100000230251_200000210301 [0,1,0,0,0,1|1,0,0]=3 2121 B14R2.1146 CSc1nc(nc2c1cccc2)C 62a_200000210301_100000230251 [0,1,0,0,0,1|1,0,0]=3 2122 B14R2.1146 Cc1cc(c2ccccc2n1)O[13CH3] 34a_100000698765_200025704644 [0,1,0,0,0,1|1,0,0]=3 2123 B14R2.1146 Cc1cc(c2ccccc2n1)S[13CH3] 62a_100000764982_200025704644 [0,1,0,0,0,1|1,0,0]=3 2124 B14R2.1146 Cc1cc(c2ccccc2n1)S[13CH3] 62a_200025704644_100000735862 [0,1,0,0,0,1|1,0,0]=3 2125 B14R2.1146 Cc1cc(c2cccnc2n1)S[13CH3] 62a_100009885123_200025704644 [0,1,0,0,0,1|2,0,0]=4 2126 B14R2.1146 Cc1cc(c2cccnc2n1)S[13CH3] 62a_200025704644_100009885123 [0,1,0,0,0,1|2,0,0]=4 2127 B14R2.1146 Cc1cc(c2ncccc2c1)O[13CH3] 34a_100009888445_200025704644 [0,1,0,0,0,1|2,0,0]=4 2128 B14R2.1146 Cc1cc(c2ncccc2c1)O[13CH3] 7a_100009888445_200025704644 [0,1,0,0,0,1|2,0,0]=4 2129 B14R2.1146 Cc1cc(c2ncccc2c1)S[13CH3] 62a_200025704644_100010113427 [0,1,0,0,0,1|2,0,0]=4 2130 B14R2.1146 Cc1cc2ccccc2c(n1)S[13CH3] 62a_200025704644_100000698243 [0,1,0,0,0,1|1,0,0]=3 2131 B14R2.1146 Cc1nc(c2ccccc2n1)S[13CH3] 62a_100000230251_200025704644 [0,1,0,0,0,1|1,0,0]=3 2132 B14R2.1146 Cc1nc(c2ccccc2n1)S[13CH3] 62a_200025704644_100000230251 [0,1,0,0,0,1|1,0,0]=3 2133 B14R2.1146 [13CH3]Nc1cc(cc2c1cccc2)Br 34a_100010171453_200025704644 [0,1,0,0,0,1|2,0,0]=4 2134 B14R2.1146 [13CH3]Oc1cc(cc2c1cccc2)Br 34a_100010089979_200025704644 [0,1,0,0,0,1|2,0,0]=4 2135 B14R2.1146 [13CH3]Oc1cc(cc2c1cccc2)Br 7a_100010089979_200025704644 [0,1,0,0,0,1|2,0,0]=4 2136 B14R2.1146 [13CH3]Sc1cc(=O)[nH]c2c1cccc2 62a_200025704644_100000075698 [0,1,0,0,0,1|2,0,0]=4 2137 B14R2.1146 [13CH3]Sc1cc(cc2c1cccc2)N 62a_100010089974_200025704644 [0,1,0,0,0,1|2,0,0]=4 2138 B14R2.1146 [13CH3]Sc1cc(cc2c1cccc2)N 62a_200025704644_100010089974 [0,1,0,0,0,1|2,0,0]=4 2139 B14R2.1146 [13CH3]Sc1cc(cc2c1cccc2)O 62a_200025704644_100010001680 [0,1,0,0,0,1|2,0,0]=4 2140 B14R2.1146 [13CH3]Sc1nc(cc2c1cccc2)N 62a_100009814382_200025704644 [0,1,0,0,0,1|2,0,0]=4 2141 B14R2.1146 [13CH3]Sc1nc(cc2c1cccc2)N 62a_200025704644_100009814382 [0,1,0,0,0,1|2,0,0]=4 2142 B14R2.8045 Cc1cc(c2cccc(c2n1)C)O 271570a_203496583355_100000757406 [0,1,0,0,0,1|2,0,0]=4 2143 B14R2.8045 Cc1cc(c2cccc(c2n1)F)O 271570a_203496583355_100000689329 [0,1,0,0,0,1|2,0,0]=4 2144 B14R2.8045 Cc1cc(c2cccc(c2n1)O)O 271570a_203496583355_200011333620 [0,1,0,0,0,1|2,0,0]=4 2145 B14R2.8045 Cc1cc(c2nccc(c2c1)O)C 271570a_203496583355_100011310474 [0,1,0,0,0,1|2,0,0]=4 2146 B14R2.8045 Cc1cc(nc2c1cccc2C)O 271570a_203496583355_100000008058 [0,1,0,0,0,1|2,0,0]=4 2147 B14R2.8235 Cc1cc(=O)[nH]c2c1cc(cc2)O 271570a_203496583355_100009820897 [0,1,0,0,0,1|2,0,0]=4 2148 B14R2.8235 Cc1cc(=O)c2cc(ccc2[nH]1)O 271570a_203496583355_100011333642 [0,1,0,0,0,1|2,0,0]=4 2149 B14R2.8235 Cc1cc(c2cc(ccc2n1)F)O 271570a_203496583355_100000689691 [0,1,0,0,0,1|2,0,0]=4 2150 B14R2.8235 Cc1cc(c2cc(ccc2n1)O)N 271570a_203496583355_100000238323 [0,1,0,0,0,1|2,0,0]=4 2151 B14R2.8235 Cc1cc(c2nc(ccc2c1)O)C 271570a_203496583355_200012017542 [0,1,0,0,0,1|2,0,0]=4 2152 B14R2.8235 Cc1cc(nc2c1cc(cc2)F)O 271570a_203496583355_200000079853 [0,1,0,0,0,1|2,0,0]=4 2153 B14R2.8235 Cc1ccc2nc(cc(c2c1)O)C 271570a_203496583355_100011333704 [0,1,0,0,0,1|2,0,0]=4 2154 B14R2.8235 Cc1ccc2nc(nc(c2c1)O)C 271570a_203496583355_100013022803 [0,1,0,0,0,1|2,0,0]=4 2155 B14R2.8235 Cc1nc(c2cc(ccc2n1)F)O 271570a_203496583355_100012002098 [0,1,0,0,0,1|2,0,0]=4 2156 B14R2.8235 Cc1nc2ccc(cc2c(=O)[nH]1)O 271570a_203496583355_100000741707 [0,1,0,0,0,1|2,0,0]=4 2157 B14R2.8235 Cc1nc2ccc(cc2c(=O)o1)O 271570a_203496583355_200009814615 [0,1,0,0,0,1|2,0,0]=4 2158 B14R2.8235 O=c1[nH]c(=O)c2cc(ccc2o1)O 271570a_203496583355_200000725568 [0,1,0,0,0,1|2,0,0]=4 2159 B14R2.8235 O=c1cc(c2cc(ccc2o1)O)O 271570a_203496583355_100009814091 [0,1,0,0,0,1|2,0,0]=4 2160 B14R2.28480 Cc1nc(c2c(cccc2n1)C)O 271570a_203496583355_200012002097 [0,1,0,0,0,1|2,0,0]=4 2161 B14R2.28480 Cc1nc(c2c(cccc2n1)O)O 271570a_203496583355_200010988834 [0,1,0,0,0,1|2,0,0]=4 2162 B14R2.28480 Cc1nc2cccc(c2c(=O)o1)O 271570a_203496583355_200010128068 [0,1,0,0,0,1|2,0,0]=4 2163 B14R2.29365 Cc1cc(c2ccc(cc2n1)F)O 271570a_203496583355_100011290880 [0,1,0,0,0,1|2,0,0]=4 2164 B14R2.29365 Cc1cc(c2ccc(nc2n1)O)C 271570a_203496583355_200000075399 [0,1,0,0,0,1|2,0,0]=4 2165 B14R2.29365 Cc1cc(nc2c1ccc(c2)N)O 271570a_203496583355_100000103534 [0,1,0,0,0,1|2,0,0]=4 2166 B14R2.29365 Cc1cc2cc(ccc2c(=O)[nH]1)O 271570a_203496583355_100010883700 [0,1,0,0,0,1|2,0,0]=4 2167 B14R2.29365 Cc1ccc2c(nc(nc2c1)C)O 271570a_203496583355_200010384746 [0,1,0,0,0,1|2,0,0]=4 2168 B14R2.29365 Cc1nc(c2ccc(cc2n1)F)O 271570a_203496583355_100012003523 [0,1,0,0,0,1|2,0,0]=4 2169 B14R2.29365 Cc1nc2cc(ccc2c(=O)[nH]1)O 271570a_203496583355_100012357626 [0,1,0,0,0,1|2,0,0]=4 2170 B14R2.29365 O=c1cc(c2ccc(cc2o1)O)O 271570a_203496583355_100010062223 [0,1,0,0,0,1|2,0,0]=4 2171 B14R2.1128 C=Cc1cc2ccccc2oc1=O 271570a_100011290941_200000187772 [0,1,0,0,0,1|1,0,1]=4 2172 B14R2.1128 C=Cc1nc2ccccc2cc1C 271570a_100011290941_100000751756 [0,1,0,0,0,1|1,0,1]=4 2173 B14R2.1128 C=Cc1nc2ccccc2nc1C 271570a_100011290941_100000185947 [0,1,0,0,0,1|1,0,1]=4 2174 B14R2.1128 CCc1cc2ccccc2nc1O 271570a_203496583355_100011829826 [0,1,0,0,0,1|2,0,0]=4 2175 B14R2.1128 CNc1cc2ccccc2cc1Br 34a_100009991566_200000210301 [0,1,0,0,0,1|2,0,0]=4 2176 B14R2.1128 CNc1cc2ccccc2cc1Br 7a_100009991566_200000210301 [0,1,0,0,0,1|2,0,0]=4 2177 B14R2.1128 CNc1nc2ccccc2cc1C 27a_100102657272_100000751756 [0,1,0,0,0,1|1,0,0]=3 2178 B14R2.1128 CNc1nc2ccccc2nc1C 27a_100102657272_100000185947 [0,1,0,0,0,1|1,0,0]=3 2179 B14R2.1128 CNc1nc2ccccc2nc1N 27a_100102657272_100000009970 [0,1,0,0,0,1|2,0,0]=4 2180 B14R2.1128 CNc1nc2ncccc2cc1C 27a_100102657272_100009877248 [0,1,0,0,0,1|2,0,0]=4 2181 B14R2.1128 COc1cc2ccccc2cc1Br 34a_100009817189_200000210301 [0,1,0,0,0,1|2,0,0]=4 2182 B14R2.1128 COc1cc2ccccc2cc1Br 7a_100009817189_200000210301 [0,1,0,0,0,1|2,0,0]=4 2183 B14R2.1128 COc1cc2ccccc2cc1C 34a_100000091601_200000210301 [0,1,0,0,0,1|1,0,0]=3 2184 B14R2.1128 COc1cc2ccccc2cc1C 7a_100000091601_200000210301 [0,1,0,0,0,1|1,0,0]=3 2185 B14R2.1128 COc1cc2ccccc2cc1N 34a_106744474703_200000210301 [0,1,0,0,0,1|2,0,0]=4 2186 B14R2.1128 COc1cc2ccccc2cc1N 7a_106744474703_200000210301 [0,1,0,0,0,1|2,0,0]=4 2187 B14R2.1128 COc1cc2ccccc2cc1O 271570a_203496583355_100009817100 [0,1,0,0,0,1|2,0,0]=4 2188 B14R2.1128 COc1cc2ccccc2nc1C 34a_200000079175_200000210301 [0,1,0,0,0,1|1,0,0]=3 2189 B14R2.1128 COc1cc2ccccc2nc1C 7a_200000079175_200000210301 [0,1,0,0,0,1|1,0,0]=3 2190 B14R2.1128 COc1cc2ccccc2nc1Cl 34a_200000100762_200000210301 [0,1,0,0,0,1|2,0,0]=4 2191 B14R2.1128 COc1cc2ccccc2nc1Cl 7a_200000100762_200000210301 [0,1,0,0,0,1|2,0,0]=4 2192 B14R2.1128 COc1cc2ccccc2oc1=O 7a_100000061252_200000210301 [0,1,0,0,0,1|1,0,0]=3 2193 B14R2.1128 COc1nc2ccccc2cc1O 271570a_203496583355_100009820890 [0,1,0,0,0,1|2,0,0]=4 2194 B14R2.1128 COc1nc2ccccc2nc1O 271570a_203496583355_100000085300 [0,1,0,0,0,1|2,0,0]=4 2195 B14R2.1128 CSc1cc2ccccc2cc1Br 62a_200000210301_200010169544 [0,1,0,0,0,1|2,0,0]=4 2196 B14R2.1128 CSc1cc2ccccc2cc1Br 62a_200010169544_200000210301 [0,1,0,0,0,1|2,0,0]=4 2197 B14R2.1128 CSc1cc2ccccc2cc1Cl 62a_100010152806_200000210301 [0,1,0,0,0,1|2,0,0]=4 2198 B14R2.1128 CSc1cc2ccccc2cc1Cl 62a_200000210301_100010152806 [0,1,0,0,0,1|2,0,0]=4 2199 B14R2.1128 CSc1cc2ccccc2cc1N 62a_100009991566_200000210301 [0,1,0,0,0,1|2,0,0]=4 2200 B14R2.1128 CSc1cc2ccccc2cc1N 62a_200000210301_100009991566 [0,1,0,0,0,1|2,0,0]=4 2201 B14R2.1128 CSc1cc2ccccc2cc1O 62a_200000210301_100009817189 [0,1,0,0,0,1|2,0,0]=4 2202 B14R2.1128 CSc1cc2ccccc2nc1Cl 62a_200000210301_100010220712 [0,1,0,0,0,1|2,0,0]=4 2203 B14R2.1128 CSc1cc2ccccc2nc1F 62a_100011158909_200000210301 [0,1,0,0,0,1|2,0,0]=4 2204 B14R2.1128 CSc1cc2ccccc2nc1F 62a_200000210301_100011158909 [0,1,0,0,0,1|2,0,0]=4 2205 B14R2.1128 CSc1cc2ccccc2nc1N 62a_100010135404_200000210301 [0,1,0,0,0,1|2,0,0]=4 2206 B14R2.1128 CSc1cc2ccccc2nc1O 62a_200000210301_200009820883 [0,1,0,0,0,1|2,0,0]=4 2207 B14R2.1128 CSc1cc2ccccc2oc1=O 62a_200000210301_200000187772 [0,1,0,0,0,1|1,0,0]=3 2208 B14R2.1128 CSc1cc2cccnc2cc1C 62a_100010137429_200000210301 [0,1,0,0,0,1|2,0,0]=4 2209 B14R2.1128 CSc1cc2cccnc2cc1C 62a_200000210301_100010137429 [0,1,0,0,0,1|2,0,0]=4 2210 B14R2.1128 CSc1nc2ccccc2cc1Br 62a_100010072790_200000210301 [0,1,0,0,0,1|2,0,0]=4 2211 B14R2.1128 CSc1nc2ccccc2cc1Br 62a_200000210301_100010072790 [0,1,0,0,0,1|2,0,0]=4 2212 B14R2.1128 CSc1nc2ccccc2cc1C 62a_200000210301_100000751756 [0,1,0,0,0,1|1,0,0]=3 2213 B14R2.1128 CSc1nc2ccccc2cc1O 62a_200000210301_200000100762 [0,1,0,0,0,1|2,0,0]=4 2214 B14R2.1128 CSc1nc2ccccc2nc1C 62a_100000757254_200000210301 [0,1,0,0,0,1|1,0,0]=3 2215 B14R2.1128 CSc1nc2ccccc2nc1C 62a_200000210301_100000185947 [0,1,0,0,0,1|1,0,0]=3 2216 B14R2.1128 CSc1nc2ncccc2cc1C 62a_200000210301_100009877248 [0,1,0,0,0,1|2,0,0]=4 2217 B14R2.1128 Cc1cc2ccccc2cc1O[13CH3] 34a_100000091601_200025704644 [0,1,0,0,0,1|1,0,0]=3 2218 B14R2.1128 Cc1cc2ccccc2cc1O[13CH3] 7a_100000091601_200025704644 [0,1,0,0,0,1|1,0,0]=3 2219 B14R2.1128 Cc1cc2ccccc2nc1S[13CH3] 62a_200025704644_100000751756 [0,1,0,0,0,1|1,0,0]=3 2220 B14R2.1128 Cc1cc2cccnc2nc1S[13CH3] 62a_200025704644_100009877248 [0,1,0,0,0,1|2,0,0]=4 2221 B14R2.1128 Cc1cc2ncccc2cc1S[13CH3] 62a_100010137429_200025704644 [0,1,0,0,0,1|2,0,0]=4 2222 B14R2.1128 Cc1cc2ncccc2cc1S[13CH3] 62a_200025704644_100010137429 [0,1,0,0,0,1|2,0,0]=4 2223 B14R2.1128 Cc1nc2ccccc2cc1O[13CH3] 34a_200000079175_200025704644 [0,1,0,0,0,1|1,0,0]=3 2224 B14R2.1128 Cc1nc2ccccc2cc1O[13CH3] 7a_200000079175_200025704644 [0,1,0,0,0,1|1,0,0]=3 2225 B14R2.1128 Cc1nc2ccccc2nc1S[13CH3] 62a_100000757254_200025704644 [0,1,0,0,0,1|1,0,0]=3 2226 B14R2.1128 Cc1nc2ccccc2nc1S[13CH3] 62a_200025704644_100000185947 [0,1,0,0,0,1|1,0,0]=3 2227 B14R2.1128 OCc1cc2ccccc2nc1O 271570a_203496583355_100000754719 [0,1,0,0,0,1|2,0,0]=4 2228 B14R2.1128 [13CH3]Nc1cc2ccccc2cc1Br 34a_100009991566_200025704644 [0,1,0,0,0,1|2,0,0]=4 2229 B14R2.1128 [13CH3]Nc1cc2ccccc2cc1Br 7a_100009991566_200025704644 [0,1,0,0,0,1|2,0,0]=4 2230 B14R2.1128 [13CH3]Oc1cc2ccccc2cc1Br 34a_100009817189_200025704644 [0,1,0,0,0,1|2,0,0]=4 2231 B14R2.1128 [13CH3]Oc1cc2ccccc2cc1Br 7a_100009817189_200025704644 [0,1,0,0,0,1|2,0,0]=4 2232 B14R2.1128 [13CH3]Oc1cc2ccccc2cc1N 34a_106744474703_200025704644 [0,1,0,0,0,1|2,0,0]=4 2233 B14R2.1128 [13CH3]Oc1cc2ccccc2cc1N 7a_106744474703_200025704644 [0,1,0,0,0,1|2,0,0]=4 2234 B14R2.1128 [13CH3]Oc1cc2ccccc2nc1Cl 34a_200000100762_200025704644 [0,1,0,0,0,1|2,0,0]=4 2235 B14R2.1128 [13CH3]Oc1cc2ccccc2nc1Cl 7a_200000100762_200025704644 [0,1,0,0,0,1|2,0,0]=4 2236 B14R2.1128 [13CH3]Oc1cc2ccccc2oc1=O 7a_100000061252_200025704644 [0,1,0,0,0,1|1,0,0]=3 2237 B14R2.1128 [13CH3]Sc1cc2ccccc2cc1Br 62a_200010169544_200025704644 [0,1,0,0,0,1|2,0,0]=4 2238 B14R2.1128 [13CH3]Sc1cc2ccccc2cc1Br 62a_200025704644_200010169544 [0,1,0,0,0,1|2,0,0]=4 2239 B14R2.1128 [13CH3]Sc1cc2ccccc2cc1Cl 62a_100010152806_200025704644 [0,1,0,0,0,1|2,0,0]=4 2240 B14R2.1128 [13CH3]Sc1cc2ccccc2cc1Cl 62a_200025704644_100010152806 [0,1,0,0,0,1|2,0,0]=4 2241 B14R2.1128 [13CH3]Sc1cc2ccccc2cc1N 62a_100009991566_200025704644 [0,1,0,0,0,1|2,0,0]=4 2242 B14R2.1128 [13CH3]Sc1cc2ccccc2cc1N 62a_200025704644_100009991566 [0,1,0,0,0,1|2,0,0]=4 2243 B14R2.1128 [13CH3]Sc1cc2ccccc2cc1O 62a_200025704644_100009817189 [0,1,0,0,0,1|2,0,0]=4 2244 B14R2.1128 [13CH3]Sc1cc2ccccc2nc1Cl 62a_200025704644_100010220712 [0,1,0,0,0,1|2,0,0]=4 2245 B14R2.1128 [13CH3]Sc1cc2ccccc2nc1F 62a_100011158909_200025704644 [0,1,0,0,0,1|2,0,0]=4 2246 B14R2.1128 [13CH3]Sc1cc2ccccc2nc1F 62a_200025704644_100011158909 [0,1,0,0,0,1|2,0,0]=4 2247 B14R2.1128 [13CH3]Sc1cc2ccccc2nc1N 62a_100010135404_200025704644 [0,1,0,0,0,1|2,0,0]=4 2248 B14R2.1128 [13CH3]Sc1cc2ccccc2nc1O 62a_200025704644_200009820883 [0,1,0,0,0,1|2,0,0]=4 2249 B14R2.1128 [13CH3]Sc1cc2ccccc2oc1=O 62a_200025704644_200000187772 [0,1,0,0,0,1|1,0,0]=3 2250 B14R2.1128 [13CH3]Sc1nc2ccccc2cc1Br 62a_100010072790_200025704644 [0,1,0,0,0,1|2,0,0]=4 2251 B14R2.1128 [13CH3]Sc1nc2ccccc2cc1Br 62a_200025704644_100010072790 [0,1,0,0,0,1|2,0,0]=4 2252 B14R2.1128 [13CH3]Sc1nc2ccccc2cc1O 62a_200025704644_200000100762 [0,1,0,0,0,1|2,0,0]=4 2253 B14R2.8239 CC1Oc2ccc(cc2NC1=O)O 271570a_203496583355_100000745501 [0,1,0,0,0,1|1,0,1]=4 2254 B14R2.8239 CN1Cc2cc(ccc2OC1=O)O 271570a_203496583355_100015193643 [0,1,0,0,0,1|2,0,0]=4 2255 B14R2.8239 Cc1cc2cc(ccc2nc1N)O 271570a_203496583355_100011830096 [0,1,0,0,0,1|2,0,0]=4 2256 B14R2.28472 Cc1nc2ccnc(c2nc1C)O 271570a_203496583355_200000029173 [0,1,0,0,0,1|2,0,0]=4 2257 B14R2.44 C=C=Cc1sc2ccccc2c1C 271570a_100015277604_200010198769 [0,2,0,0,0,0|0,1,1]=4 2258 B14R2.44 CC=Cc1nc2ccccc2n1C 271570a_100016259895_200000239431 [0,2,0,0,0,0|2,0,0]=4 2259 B14R2.44 CC=Cc1sc2ccccc2c1C 271570a_100016259895_200010198769 [0,2,0,0,0,0|0,1,0]=3 2260 B14R2.44 CCNc1nc2ccccc2n1C 27a_100015525214_200000239431 [0,2,0,0,0,0|2,0,0]=4 2261 B14R2.44 CCOc1cc2ccccc2n1C 34a_100000066695_100000210202 [0,2,0,0,0,0|2,0,0]=4 2262 B14R2.44 CCSc1nc2ccccc2n1C 62a_100000210202_200000239431 [0,2,0,0,0,0|2,0,0]=4 2263 B14R2.44 CCSc1nc2ccccc2n1C 62a_200000239431_100000210202 [0,2,0,0,0,0|2,0,0]=4 2264 B14R2.44 CCSc1sc2ccccc2c1Br 62a_100000210202_100015504031 [0,2,0,0,0,0|1,1,0]=4 2265 B14R2.44 CCSc1sc2ccccc2c1Br 62a_100015504031_100000210202 [0,2,0,0,0,0|1,1,0]=4 2266 B14R2.44 CCSc1sc2ccccc2c1C 62a_100000210202_200010198769 [0,2,0,0,0,0|0,1,0]=3 2267 B14R2.44 CNCc1[nH]c2ccccc2c1C 270004a_106832991635_100000066550 [0,2,0,0,0,0|1,0,0]=3 2268 B14R2.44 CNCc1[nH]c2ccccc2c1Cl 270004a_106832991635_100000050720 [0,2,0,0,0,0|2,0,0]=4 2269 B14R2.44 CNCc1cc2ccccc2n1C 270004a_106832991635_100000033373 [0,2,0,0,0,0|2,0,0]=4 2270 B14R2.44 CNCc1nc2ccccc2n1C 207a_100102657272_100000188960 [0,2,0,0,0,0|2,0,0]=4 2271 B14R2.44 CNCc1nc2ccccc2n1C 2230a_106832991635_100000748711 [0,2,0,0,0,0|2,0,0]=4 2272 B14R2.44 CNCc1nc2ccccc2n1C 270004a_106832991635_100000188960 [0,2,0,0,0,0|2,0,0]=4 2273 B14R2.44 CNCc1nc2ccccc2n1C 34a_100102657272_100000748711 [0,2,0,0,0,0|2,0,0]=4 2274 B14R2.44 CNCc1nc2ccccc2n1C 7a_106832991635_100000748711 [0,2,0,0,0,0|2,0,0]=4 2275 B14R2.44 CNCc1oc2ccccc2c1C 207a_100102657272_100000077534 [0,2,0,0,0,0|0,0,0]=2 2276 B14R2.44 CNCc1oc2ccccc2c1C 2230a_100153394726_200000210301 [0,2,0,0,0,0|0,0,0]=2 2277 B14R2.44 CNCc1oc2ccccc2c1C 270004a_106832991635_100000077534 [0,2,0,0,0,0|0,0,0]=2 2278 B14R2.44 CNCc1oc2ccccc2c1C 34a_100153394726_200000210301 [0,2,0,0,0,0|0,0,0]=2 2279 B14R2.44 CNCc1sc2ccccc2c1Br 207a_100102657272_100009816528 [0,2,0,0,0,0|1,1,0]=4 2280 B14R2.44 CNCc1sc2ccccc2c1C 207a_100102657272_100000038699 [0,2,0,0,0,0|0,1,0]=3 2281 B14R2.44 CNCc1sc2ccccc2c1C 270004a_106832991635_100000038699 [0,2,0,0,0,0|0,1,0]=3 2282 B14R2.44 CNCc1sc2ccccc2c1Cl 207a_100102657272_100000017830 [0,2,0,0,0,0|1,1,0]=4 2283 B14R2.44 CNCc1sc2ccccc2c1Cl 2230a_106832991635_100000021718 [0,2,0,0,0,0|1,1,0]=4 2284 B14R2.44 CNCc1sc2ccccc2c1Cl 2230a_200015185765_200000210301 [0,2,0,0,0,0|1,1,0]=4 2285 B14R2.44 CNCc1sc2ccccc2c1Cl 270004a_106832991635_100000017830 [0,2,0,0,0,0|1,1,0]=4 2286 B14R2.44 CNCc1sc2ccccc2c1Cl 34a_100102657272_100000021718 [0,2,0,0,0,0|1,1,0]=4 2287 B14R2.44 CNCc1sc2ccccc2c1Cl 7a_106832991635_100000021718 [0,2,0,0,0,0|1,1,0]=4 2288 B14R2.44 COCc1cc2ccccc2n1C 34a_100000081300_200000210301 [0,2,0,0,0,0|2,0,0]=4 2289 B14R2.44 COCc1nc2ccccc2n1C 34a_100138415774_100000748711 [0,2,0,0,0,0|2,0,0]=4 2290 B14R2.44 COCc1sc2ccccc2c1Cl 34a_100138415774_100000021718 [0,2,0,0,0,0|1,1,0]=4 2291 B14R2.44 CSCc1nc2ccccc2n1C 62a_100000748711_200000210301 [0,2,0,0,0,0|2,0,0]=4 2292 B14R2.44 CSCc1sc2ccccc2c1Cl 62a_200000210301_100000021718 [0,2,0,0,0,0|1,1,0]=4 2293 B14R2.44 Cc1c(oc2c1cccc2)CN[13CH3] 2230a_100153394726_200025704644 [0,2,0,0,0,0|0,0,0]=2 2294 B14R2.44 Cc1c(oc2c1cccc2)CN[13CH3] 34a_100153394726_200025704644 [0,2,0,0,0,0|0,0,0]=2 2295 B14R2.44 Cc1c(sc2c1cccc2)SCF 62a_100015361967_200010198769 [0,2,0,0,0,0|0,1,0]=3 2296 B14R2.44 Cn1c(cc2c1cccc2)CO[13CH3] 34a_100000081300_200025704644 [0,2,0,0,0,0|2,0,0]=4 2297 B14R2.44 Cn1c(cc2c1cccc2)OCF 34a_100000066695_100015361967 [0,2,0,0,0,0|2,0,0]=4 2298 B14R2.44 Cn1c(nc2c1cccc2)CS[13CH3] 62a_100000748711_200025704644 [0,2,0,0,0,0|2,0,0]=4 2299 B14R2.44 Cn1c(nc2c1cccc2)SCF 62a_100015361967_200000239431 [0,2,0,0,0,0|2,0,0]=4 2300 B14R2.44 Cn1c(nc2c1cccc2)SCF 62a_200000239431_100015361967 [0,2,0,0,0,0|2,0,0]=4 2301 B14R2.44 FCSc1sc2ccccc2c1Br 62a_100015361967_100015504031 [0,2,0,0,0,0|1,1,0]=4 2302 B14R2.44 FCSc1sc2ccccc2c1Br 62a_100015504031_100015361967 [0,2,0,0,0,0|1,1,0]=4 2303 B14R2.44 [13CH3]NCc1sc2ccccc2c1Cl 2230a_200015185765_200025704644 [0,2,0,0,0,0|1,1,0]=4 2304 B14R2.44 [13CH3]SCc1sc2ccccc2c1Cl 62a_200025704644_100000021718 [0,2,0,0,0,0|1,1,0]=4 2305 B14R2.450 C=C(C)c1nc2ccccc2n1C 271570a_100000694244_200000239431 [0,2,0,0,0,0|2,0,0]=4 2306 B14R2.450 C=C(C)c1sc2ccccc2c1C 271570a_100000694244_200010198769 [0,2,0,0,0,0|0,1,0]=3 2307 B14R2.450 CC(=O)C1=C(c2ccccc2C1)C 1458a_200000242466_200000210301 [0,2,0,0,0,0|1,0,0]=3 2308 B14R2.450 CC1=C(Cc2c1cccc2)C(=O)[13CH3] 1458a_200000242466_200025704644 [0,2,0,0,0,0|1,0,0]=3 2309 B14R2.450 CN(C)c1nc2ccccc2n1C 27a_100102631434_200000239431 [0,2,0,0,0,0|2,0,0]=4 2310 B14R2.1060 CSC1Oc2ccc(cc2C1=O)Br 62a_200000210301_100011071988 [0,2,0,0,0,0|1,0,1]=4 2311 B14R2.1060 [13CH3]SC1Oc2ccc(cc2C1=O)Br 62a_200025704644_100011071988 [0,2,0,0,0,0|1,0,1]=4 2312 B14R2.517 C=C=Cc1c(oc2c1cccc2)C 271570a_100015277604_200010236113 [0,2,0,0,0,0|0,0,1]=3 2313 B14R2.517 C=C=Cc1c(sc2c1cccc2)C 271570a_100015277604_100010002616 [0,2,0,0,0,0|0,1,1]=4 2314 B14R2.517 CC=Cc1c(nc2n1cccc2)C 271570a_100016259895_100009816614 [0,2,0,0,0,0|2,0,0]=4 2315 B14R2.517 CC=Cc1c(oc2c1cccc2)C 271570a_100016259895_200010236113 [0,2,0,0,0,0|0,0,0]=2 2316 B14R2.517 CC=Cc1c(sc2c1cccc2)C 271570a_100016259895_100010002616 [0,2,0,0,0,0|0,1,0]=3 2317 B14R2.517 CC=Cc1c2ccccc2nn1C 271570a_100016259895_100010163699 [0,2,0,0,0,0|2,0,0]=4 2318 B14R2.517 CCSc1c([nH]c2c1cccn2)C 62a_100000210202_100010174266 [0,2,0,0,0,0|2,0,0]=4 2319 B14R2.517 CCSc1c(nc2n1cccc2)C 62a_100000210202_100000762796 [0,2,0,0,0,0|2,0,0]=4 2320 B14R2.517 CCSc1c(nc2n1cccc2)C 62a_100000762796_100000210202 [0,2,0,0,0,0|2,0,0]=4 2321 B14R2.517 CCSc1c(oc2c1cccc2)C 62a_100000210202_200010236113 [0,2,0,0,0,0|0,0,0]=2 2322 B14R2.517 CCSc1c(sc2c1cccc2)C 62a_100000210202_100010002616 [0,2,0,0,0,0|0,1,0]=3 2323 B14R2.517 CCSc1c(sc2c1cccc2)C 62a_100010002616_100000210202 [0,2,0,0,0,0|0,1,0]=3 2324 B14R2.517 CCSc1c2ccccc2nn1C 62a_100000210202_100010163699 [0,2,0,0,0,0|2,0,0]=4 2325 B14R2.517 CCSc1c2ccccc2nn1C 62a_100010163699_100000210202 [0,2,0,0,0,0|2,0,0]=4 2326 B14R2.517 CNCc1c(nc2n1cccc2)C 207a_100102657272_100000182234 [0,2,0,0,0,0|2,0,0]=4 2327 B14R2.517 CNCc1c(sc2c1cccc2)C 207a_100102657272_100000066825 [0,2,0,0,0,0|0,1,0]=3 2328 B14R2.517 CNCc1c(sc2c1cccc2)C 270004a_106832991635_100000066825 [0,2,0,0,0,0|0,1,0]=3 2329 B14R2.517 CNCc1c2ccccc2nn1C 207a_100102657272_100000066482 [0,2,0,0,0,0|2,0,0]=4 2330 B14R2.517 CNCc1c2ccccc2nn1C 270004a_106832991635_100000066482 [0,2,0,0,0,0|2,0,0]=4 2331 B14R2.517 COCc1c2ccccc2nn1C 34a_100000068557_200000210301 [0,2,0,0,0,0|2,0,0]=4 2332 B14R2.517 Cc1[nH]c2ncccc2c1SCF 62a_100015361967_100010174266 [0,2,0,0,0,0|2,0,0]=4 2333 B14R2.517 Cc1nc2ccccn2c1SCF 62a_100000762796_100015361967 [0,2,0,0,0,0|2,0,0]=4 2334 B14R2.517 Cc1nc2ccccn2c1SCF 62a_100015361967_100000762796 [0,2,0,0,0,0|2,0,0]=4 2335 B14R2.517 Cc1oc2ccccc2c1SCF 62a_100015361967_200010236113 [0,2,0,0,0,0|0,0,0]=2 2336 B14R2.517 Cc1sc2ccccc2c1SCF 62a_100010002616_100015361967 [0,2,0,0,0,0|0,1,0]=3 2337 B14R2.517 Cc1sc2ccccc2c1SCF 62a_100015361967_100010002616 [0,2,0,0,0,0|0,1,0]=3 2338 B14R2.517 Cn1nc2ccccc2c1CO[13CH3] 34a_100000068557_200025704644 [0,2,0,0,0,0|2,0,0]=4 2339 B14R2.517 Cn1nc2ccccc2c1SCF 62a_100010163699_100015361967 [0,2,0,0,0,0|2,0,0]=4 2340 B14R2.517 Cn1nc2ccccc2c1SCF 62a_100015361967_100010163699 [0,2,0,0,0,0|2,0,0]=4 2341 B14R2.642 C=C(C)c1c(nc2n1cccc2)C 271570a_100000694244_100009816614 [0,2,0,0,0,0|2,0,0]=4 2342 B14R2.642 C=C(C)c1c(oc2c1cccc2)C 271570a_100000694244_200010236113 [0,2,0,0,0,0|0,0,0]=2 2343 B14R2.642 C=C(C)c1c(sc2c1cccc2)C 271570a_100000694244_100010002616 [0,2,0,0,0,0|0,1,0]=3 2344 B14R2.642 C=C(C)c1c2ccccc2nn1C 271570a_100000694244_100010163699 [0,2,0,0,0,0|2,0,0]=4 2345 B14R2.4507 CC1=Nc2ccc(cc2C1(C)C)O 271570a_203496583355_100010185730 [0,2,0,0,0,0|1,0,1]=4 2346 B14R2.3274 C=Cc1ccc2[nH]c(c(c2c1)C)C 271570a_100011290941_100012262263 [0,2,0,0,0,0|1,0,0]=3 2347 B14R2.3274 C=Cc1ccc2nc(n(c2c1)C)C 271570a_100011290941_200010218347 [0,2,0,0,0,0|2,0,0]=4 2348 B14R2.3274 C=Cc1ccc2nn(c(c2c1)C)C 271570a_100011290941_100009817121 [0,2,0,0,0,0|2,0,0]=4 2349 B14R2.3274 CSc1ccc2[nH]c(c(c2c1)C)C 62a_200000210301_100012262263 [0,2,0,0,0,0|1,0,0]=3 2350 B14R2.3274 CSc1ccc2nc(n(c2c1)C)C 62a_200000210301_200010218347 [0,2,0,0,0,0|2,0,0]=4 2351 B14R2.3274 CSc1ccc2nc(n(c2c1)C)C 62a_200010218347_200000210301 [0,2,0,0,0,0|2,0,0]=4 2352 B14R2.3274 CSc1ccc2nn(c(c2c1)C)C 62a_100009817121_200000210301 [0,2,0,0,0,0|2,0,0]=4 2353 B14R2.3274 CSc1ccc2nn(c(c2c1)C)C 62a_200000210301_100009817121 [0,2,0,0,0,0|2,0,0]=4 2354 B14R2.3274 Cc1[nH]c2ccc(cc2c1C)S[13CH3] 62a_200025704644_100012262263 [0,2,0,0,0,0|1,0,0]=3 2355 B14R2.3274 Cc1c2cc(ccc2nn1C)S[13CH3] 62a_100009817121_200025704644 [0,2,0,0,0,0|2,0,0]=4 2356 B14R2.3274 Cc1c2cc(ccc2nn1C)S[13CH3] 62a_200025704644_100009817121 [0,2,0,0,0,0|2,0,0]=4 2357 B14R2.3274 Cc1nc2ccc(cc2n1C)S[13CH3] 62a_200010218347_200025704644 [0,2,0,0,0,0|2,0,0]=4 2358 B14R2.3274 Cc1nc2ccc(cc2n1C)S[13CH3] 62a_200025704644_200010218347 [0,2,0,0,0,0|2,0,0]=4 2359 B14R2.11645 C=Cc1cccc2c1nn(c2C)C 271570a_100011290941_100010255105 [0,2,0,0,0,0|2,0,0]=4 2360 B14R2.11645 CNc1cccc2c1nn(c2C)C 2230a_100015463634_200000210301 [0,2,0,0,0,0|2,0,0]=4 2361 B14R2.11645 CNc1cccc2c1nn(c2C)C 34a_100015463634_200000210301 [0,2,0,0,0,0|2,0,0]=4 2362 B14R2.11645 CSc1cccc2c1nn(c2C)C 62a_100010255105_200000210301 [0,2,0,0,0,0|2,0,0]=4 2363 B14R2.11645 CSc1cccc2c1nn(c2C)C 62a_200000210301_100010255105 [0,2,0,0,0,0|2,0,0]=4 2364 B14R2.11645 Cc1c2cccc(c2nn1C)N[13CH3] 2230a_100015463634_200025704644 [0,2,0,0,0,0|2,0,0]=4 2365 B14R2.11645 Cc1c2cccc(c2nn1C)N[13CH3] 34a_100015463634_200025704644 [0,2,0,0,0,0|2,0,0]=4 2366 B14R2.11645 Cc1c2cccc(c2nn1C)S[13CH3] 62a_100010255105_200025704644 [0,2,0,0,0,0|2,0,0]=4 2367 B14R2.11645 Cc1c2cccc(c2nn1C)S[13CH3] 62a_200025704644_100010255105 [0,2,0,0,0,0|2,0,0]=4 2368 B14R2.11690 C=Cc1ccnc2c1c(c([nH]2)C)C 271570a_100011290941_206744597382 [0,2,0,0,0,0|2,0,0]=4 2369 B14R2.11690 CSc1ccnc2c1c(c([nH]2)C)C 62a_200000210301_206744597382 [0,2,0,0,0,0|2,0,0]=4 2370 B14R2.11690 Cc1[nH]c2nccc(c2c1C)S[13CH3] 62a_200025704644_206744597382 [0,2,0,0,0,0|2,0,0]=4 2371 B14R2.1815 C=Cc1ccc2c(c1)nc(n2C)C 271570a_100011290941_100000729442 [0,2,0,0,0,0|2,0,0]=4 2372 B14R2.1815 C=Cc1ccc2c(c1)oc(=O)n2C 271570a_100011290941_100000753874 [0,2,0,0,0,0|2,0,0]=4 2373 B14R2.1815 C=Cc1ccc2c(n(nc2c1)C)C 271570a_100011290941_100010247116 [0,2,0,0,0,0|2,0,0]=4 2374 B14R2.1815 CNc1ccc2c(c1)nc(n2C)C 34a_100000186680_200000210301 [0,2,0,0,0,0|2,0,0]=4 2375 B14R2.1815 CNc1ccc2c(n(nc2c1)C)C 34a_100000092031_200000210301 [0,2,0,0,0,0|2,0,0]=4 2376 B14R2.1815 COc1ccc2c(c1)cc(n2C)C 34a_100000079728_200000210301 [0,2,0,0,0,0|2,0,0]=4 2377 B14R2.1815 COc1ccc2c(c1)cc(n2C)C 7a_100000079728_200000210301 [0,2,0,0,0,0|2,0,0]=4 2378 B14R2.1815 CSc1ccc2c(c1)nc(n2C)C 62a_100000729442_200000210301 [0,2,0,0,0,0|2,0,0]=4 2379 B14R2.1815 CSc1ccc2c(c1)nc(n2C)C 62a_200000210301_100000729442 [0,2,0,0,0,0|2,0,0]=4 2380 B14R2.1815 CSc1ccc2c(n(nc2c1)C)C 62a_100010247116_200000210301 [0,2,0,0,0,0|2,0,0]=4 2381 B14R2.1815 CSc1ccc2c(n(nc2c1)C)C 62a_200000210301_100010247116 [0,2,0,0,0,0|2,0,0]=4 2382 B14R2.1815 Cc1c2ccc(cc2nn1C)N[13CH3] 34a_100000092031_200025704644 [0,2,0,0,0,0|2,0,0]=4 2383 B14R2.1815 Cc1c2ccc(cc2nn1C)S[13CH3] 62a_100010247116_200025704644 [0,2,0,0,0,0|2,0,0]=4 2384 B14R2.1815 Cc1c2ccc(cc2nn1C)S[13CH3] 62a_200025704644_100010247116 [0,2,0,0,0,0|2,0,0]=4 2385 B14R2.1815 Cc1cc2cc(ccc2n1C)O[13CH3] 34a_100000079728_200025704644 [0,2,0,0,0,0|2,0,0]=4 2386 B14R2.1815 Cc1cc2cc(ccc2n1C)O[13CH3] 7a_100000079728_200025704644 [0,2,0,0,0,0|2,0,0]=4 2387 B14R2.1815 Cc1nc2cc(ccc2n1C)N[13CH3] 34a_100000186680_200025704644 [0,2,0,0,0,0|2,0,0]=4 2388 B14R2.1815 Cc1nc2cc(ccc2n1C)S[13CH3] 62a_100000729442_200025704644 [0,2,0,0,0,0|2,0,0]=4 2389 B14R2.1815 Cc1nc2cc(ccc2n1C)S[13CH3] 62a_200025704644_100000729442 [0,2,0,0,0,0|2,0,0]=4 2390 B12R2.3190 CC(=O)C1Cc2c1cccc2 1458a_200000238571_200000210301 [0,0,1,1,0,0|0,0,2]=4 2391 B12R2.3190 [13CH3]C(=O)C1Cc2c1cccc2 1458a_200000238571_200025704644 [0,0,1,1,0,0|0,0,2]=4 2392 B12R2.2058 c1ccc(cc1)OC2CCC2 34a_100000210340_100000749161 [0,0,1,1,0,0|0,0,2]=4 2393 B12R2.315 C=Cc1cccc2c1OCC2 271570a_100011290941_100009818991 [0,0,1,1,0,0|0,0,2]=4 2394 B12R2.315 C=Cc1cccc2c1occ2 271570a_100011290941_100011935138 [0,0,1,1,0,0|0,0,2]=4 2395 B12R2.315 C=Cc1cccc2c1ocn2 271570a_100011290941_100000728214 [0,0,1,1,0,0|1,0,1]=4 2396 B12R2.315 CNc1cccc2c1OCC2 2230a_100000102157_200000210301 [0,0,1,1,0,0|1,0,1]=4 2397 B12R2.315 CNc1cccc2c1OCC2 34a_100000102157_200000210301 [0,0,1,1,0,0|1,0,1]=4 2398 B12R2.315 CSc1cccc2c1OCC2 62a_100009818991_200000210301 [0,0,1,1,0,0|1,0,1]=4 2399 B12R2.315 CSc1cccc2c1OCC2 62a_200000210301_100009818991 [0,0,1,1,0,0|1,0,1]=4 2400 B12R2.315 CSc1cccc2c1occ2 62a_200000210301_100011935138 [0,0,1,1,0,0|1,0,1]=4 2401 B12R2.315 CSc1cccc2c1ocn2 62a_200000210301_100000728214 [0,0,1,1,0,0|2,0,0]=4 2402 B12R2.315 [13CH3]Nc1cccc2c1OCC2 2230a_100000102157_200025704644 [0,0,1,1,0,0|1,0,1]=4 2403 B12R2.315 [13CH3]Nc1cccc2c1OCC2 34a_100000102157_200025704644 [0,0,1,1,0,0|1,0,1]=4 2404 B12R2.315 [13CH3]Sc1cccc2c1OCC2 62a_100009818991_200025704644 [0,0,1,1,0,0|1,0,1]=4 2405 B12R2.315 [13CH3]Sc1cccc2c1OCC2 62a_200025704644_100009818991 [0,0,1,1,0,0|1,0,1]=4 2406 B12R2.315 [13CH3]Sc1cccc2c1occ2 62a_200025704644_100011935138 [0,0,1,1,0,0|1,0,1]=4 2407 B12R2.315 [13CH3]Sc1cccc2c1ocn2 62a_200025704644_100000728214 [0,0,1,1,0,0|2,0,0]=4 2408 B10R1.23 CC(=C(C)c1ccco1)C 271570a_200000049429_100009814098 [0,0,1,0,1,0|2,0,0]=4 2409 B10R1.23 CC(=C(C)c1cccs1)C 271570a_200000049429_100011215356 [0,0,1,0,1,0|2,0,0]=4 2410 B10R1.23 CC(=C(C)c1ccoc1)C 271570a_200000049429_100011215275 [0,0,1,0,1,0|2,0,0]=4 2411 B10R1.23 CC(=C(C)c1ccsc1)C 271570a_200000049429_100000738268 [0,0,1,0,1,0|2,0,0]=4 2412 B12R1.107 C=C(C)CC(=O)c1ccccc1 1458a_100000185807_100000748629 [0,0,1,0,0,1|2,0,0]=4 2413 B12R1.107 C=C(C)CN(C)c1ccccc1 2230a_100000210012_100000748629 [0,0,1,0,0,1|2,0,0]=4 2414 B12R1.107 C=C(C)CN(C)c1ccccc1 269982a_100000210012_100000748629 [0,0,1,0,0,1|2,0,0]=4 2415 B12R1.107 C=C(C)CN(C)c1ccccc1 34a_100000210012_100000748629 [0,0,1,0,0,1|2,0,0]=4 2416 B12R1.107 CC(=CC(=O)[13CH3])c1ccccc1 1458a_100000743005_200025704644 [0,0,1,0,0,1|0,0,1]=3 2417 B12R1.107 CC(=O)C=C(C)c1ccccc1 1458a_100000743005_200000210301 [0,0,1,0,0,1|0,0,1]=3 2418 B12R1.107 CC(=O)CC(=O)c1ccccc1 1458a_100000070787_100000211460 [0,0,1,0,0,1|1,0,1]=4 2419 B12R1.107 CC(=O)CC(C)c1ccccc1 1458a_100000070787_100000756946 [0,0,1,0,0,1|0,0,2]=4 2420 B12R1.107 CC(=O)CC(C)c1ccccc1 1458a_100000183687_200000210301 [0,0,1,0,0,1|0,0,2]=4 2421 B12R1.107 CC(=O)CN(C)c1ccccc1 1458a_100000745425_200000210301 [0,0,1,0,0,1|1,0,1]=4 2422 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 11a_100000751104_100015343762 [0,0,1,0,0,1|0,0,2]=4 2423 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 1626a_100000751104_100015343762 [0,0,1,0,0,1|0,0,2]=4 2424 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 240690a_100000751104_100015343762 [0,0,1,0,0,1|0,0,2]=4 2425 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 527a_100000751104_100103153847 [0,0,1,0,0,1|0,0,2]=4 2426 B12R1.107 CC(CC(=O)[13CH3])c1ccccc1 1458a_100000183687_200025704644 [0,0,1,0,0,1|0,0,2]=4 2427 B12R1.107 CC(O)CC(=O)c1ccccc1 1458a_100000185807_100011218427 [0,0,1,0,0,1|1,0,1]=4 2428 B12R1.107 CC(O)CN(C)c1ccccc1 2230a_100000210012_100011218427 [0,0,1,0,0,1|1,0,1]=4 2429 B12R1.107 CC(O)CN(C)c1ccccc1 269982a_100000210012_100011218427 [0,0,1,0,0,1|1,0,1]=4 2430 B12R1.107 CC(O)CN(C)c1ccccc1 34a_100000210012_100011218427 [0,0,1,0,0,1|1,0,1]=4 2431 B12R1.107 CN(CC(=O)O)c1ccccc1 269956a_100000212060_200000210301 [0,0,1,0,0,1|2,0,0]=4 2432 B12R1.107 CN(CC(=O)[13CH3])c1ccccc1 1458a_100000745425_200025704644 [0,0,1,0,0,1|1,0,1]=4 2433 B12R1.107 C[C@@H](O)CN(C)c1ccccc1 2230a_100000210012_100009817552 [0,0,1,0,0,1|1,0,1]=4 2434 B12R1.107 C[C@@H](O)CN(C)c1ccccc1 269982a_100000210012_100009817552 [0,0,1,0,0,1|1,0,1]=4 2435 B12R1.107 C[C@@H](O)CN(C)c1ccccc1 34a_100000210012_100009817552 [0,0,1,0,0,1|1,0,1]=4 2436 B12R1.107 [13CH3]N(CC(=O)O)c1ccccc1 269956a_100000212060_200025704644 [0,0,1,0,0,1|2,0,0]=4 2437 B12R1.27 C=CC(=NNc1ccccc1)C 4a_100015195140_200015361842 [0,0,1,0,0,1|1,0,1]=4 2438 B12R1.27 C=CC(C)OCc1ccccc1 34a_100000695699_100015291786 [0,0,1,0,0,1|0,0,2]=4 2439 B12R1.27 CC(COc1ccccc1)N[13CH3] 2230a_100000746794_200025704644 [0,0,1,0,0,1|1,0,1]=4 2440 B12R1.27 CC(COc1ccccc1)N[13CH3] 34a_100000746794_200025704644 [0,0,1,0,0,1|1,0,1]=4 2441 B12R1.27 CC(COc1ccccc1)O[13CH3] 34a_100000210911_200025704644 [0,0,1,0,0,1|1,0,1]=4 2442 B12R1.27 CC(COc1ccccc1)O[13CH3] 7a_100000210911_200025704644 [0,0,1,0,0,1|1,0,1]=4 2443 B12R1.27 CCC(=O)COc1ccccc1 1458a_100000186222_100000210202 [0,0,1,0,0,1|1,0,1]=4 2444 B12R1.27 CCC(=O)COc1ccccc1 7a_100000210340_100000747405 [0,0,1,0,0,1|1,0,1]=4 2445 B12R1.27 CCC(C)COc1ccccc1 34a_100000210340_100000748023 [0,0,1,0,0,1|0,0,2]=4 2446 B12R1.27 CCC(C)COc1ccccc1 7a_100000210340_100000748023 [0,0,1,0,0,1|0,0,2]=4 2447 B12R1.27 CCC(C)OCc1ccccc1 34a_100000210790_100011215416 [0,0,1,0,0,1|0,0,2]=4 2448 B12R1.27 CCC(C)OCc1ccccc1 7a_100000210228_100000211182 [0,0,1,0,0,1|0,0,2]=4 2449 B12R1.27 CCC(C)OCc1ccccc1 7a_100000210790_100000758301 [0,0,1,0,0,1|0,0,2]=4 2450 B12R1.27 CC[C@H](C)COc1ccccc1 34a_100000210340_100009816398 [0,0,1,0,0,1|0,0,2]=4 2451 B12R1.27 CC[C@H](C)COc1ccccc1 7a_100000210340_100009816398 [0,0,1,0,0,1|0,0,2]=4 2452 B12R1.27 CNC(=O)COc1ccccc1 11a_106832991635_100000186222 [0,0,1,0,0,1|2,0,0]=4 2453 B12R1.27 CNC(=O)COc1ccccc1 1626a_100102657272_100000186222 [0,0,1,0,0,1|2,0,0]=4 2454 B12R1.27 CNC(=O)COc1ccccc1 240690a_100102657272_100000186222 [0,0,1,0,0,1|2,0,0]=4 2455 B12R1.27 CNC(=O)COc1ccccc1 34a_100000210340_100000183359 [0,0,1,0,0,1|2,0,0]=4 2456 B12R1.27 CNC(=O)COc1ccccc1 527a_100102657272_100000186222 [0,0,1,0,0,1|2,0,0]=4 2457 B12R1.27 CNC(=O)COc1ccccc1 7a_100000210340_100000183359 [0,0,1,0,0,1|2,0,0]=4 2458 B12R1.27 CNC(C)COc1ccccc1 2230a_100000746794_200000210301 [0,0,1,0,0,1|1,0,1]=4 2459 B12R1.27 CNC(C)COc1ccccc1 270004a_106832991635_100000150576 [0,0,1,0,0,1|1,0,1]=4 2460 B12R1.27 CNC(C)COc1ccccc1 34a_100000746794_200000210301 [0,0,1,0,0,1|1,0,1]=4 2461 B12R1.27 COC(=O)COc1ccccc1 34a_100000210340_100000747449 [0,0,1,0,0,1|2,0,0]=4 2462 B12R1.27 COC(=O)COc1ccccc1 7a_100000210340_100000747449 [0,0,1,0,0,1|2,0,0]=4 2463 B12R1.27 COC(C)COc1ccccc1 34a_100000210911_200000210301 [0,0,1,0,0,1|1,0,1]=4 2464 B12R1.27 COC(C)COc1ccccc1 7a_100000210911_200000210301 [0,0,1,0,0,1|1,0,1]=4 2465 B12R1.448 C=Cc1cc(c(cc1C=O)C)C 271570a_100011290941_100010184403 [0,0,1,0,0,1|2,0,0]=4