0 B12R2.18 Cc1c(sc2c1cccc2)O 271570a_203496583355_200010198769 [0,0,0,0,0,0|2,0,1]=3 1 B12R2.18 Cc1nc2ccccn2c1O 271570a_203496583355_100009816614 [0,0,0,0,0,0|2,0,2]=4 2 B12R2.18 Cc1oc2ccccc2c1O 271570a_203496583355_200010236113 [0,0,0,0,0,0|2,0,1]=3 3 B12R2.18 Cc1sc2ccccc2c1O 271570a_203496583355_100010002616 [0,0,0,0,0,0|2,0,1]=3 4 B12R2.18 Cn1c(nc2c1cccc2)O 271570a_203496583355_200000239431 [0,0,0,0,0,0|2,0,2]=4 5 B12R2.18 Cn1nc2ccccc2c1O 271570a_203496583355_100010163699 [0,0,0,0,0,0|2,0,2]=4 6 B11R2.1 Oc1c[nH]c2c1cccn2 271570a_203496583355_100011934613 [1,0,0,0,0,0|1,0,1]=3 7 B11R2.1 Oc1c[nH]c2c1ccnc2 271570a_203496583355_100010232032 [1,0,0,0,0,0|1,0,1]=3 8 B11R2.1 Oc1c[nH]c2c1cncc2 271570a_203496583355_100011934843 [1,0,0,0,0,0|1,0,1]=3 9 B11R2.1 Oc1c[nH]c2c1cncn2 271570a_203496583355_100009817560 [1,0,0,0,0,0|2,0,1]=4 10 B11R2.1 Oc1c[nH]c2c1nccc2 271570a_203496583355_100009817151 [1,0,0,0,0,0|1,0,1]=3 11 B11R2.1 Oc1cnc2n1cccc2 271570a_203496583355_100011219245 [1,0,0,0,0,0|1,0,2]=4 12 B11R2.1 Oc1cnn2c1cccc2 271570a_203496583355_100009817726 [1,0,0,0,0,0|1,0,2]=4 13 B11R2.1 Oc1coc2c1cccc2 271570a_203496583355_100009812202 [1,0,0,0,0,0|1,0,1]=3 14 B11R2.1 Oc1coc2c1nccc2 271570a_203496583355_100009889148 [1,0,0,0,0,0|2,0,1]=4 15 B11R2.1 Oc1csc2c1cccc2 271570a_203496583355_100009813928 [1,0,0,0,0,0|1,0,1]=3 16 B11R2.1 Oc1csc2c1cccn2 271570a_203496583355_100009830249 [1,0,0,0,0,0|2,0,1]=4 17 B11R2.1 Oc1csc2c1ccnc2 271570a_203496583355_100009817111 [1,0,0,0,0,0|2,0,1]=4 18 B11R2.1 Oc1csc2c1cncc2 271570a_203496583355_100010247091 [1,0,0,0,0,0|2,0,1]=4 19 B11R2.1 Oc1csc2c1nccc2 271570a_203496583355_100010247092 [1,0,0,0,0,0|2,0,1]=4 20 B11R2.1 Oc1n[nH]c2c1cccc2 271570a_203496583355_100000050141 [1,0,0,0,0,0|1,0,1]=3 21 B11R2.1 Oc1n[nH]c2c1cccn2 271570a_203496583355_100009888962 [1,0,0,0,0,0|2,0,1]=4 22 B11R2.1 Oc1n[nH]c2c1ccnc2 271570a_203496583355_100010244369 [1,0,0,0,0,0|2,0,1]=4 23 B11R2.1 Oc1n[nH]c2c1cncc2 271570a_203496583355_100010724670 [1,0,0,0,0,0|2,0,1]=4 24 B11R2.1 Oc1n[nH]c2c1nccc2 271570a_203496583355_100009817118 [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|0,0,1]=2 26 B11R2.10 Oc1cc2ccccc2o1 271570a_203496583355_100010159458 [1,0,0,0,0,0|1,0,1]=3 27 B11R2.10 Oc1cc2ccccc2s1 271570a_203496583355_100009816949 [1,0,0,0,0,0|1,0,1]=3 28 B11R2.10 Oc1cc2cccnc2[nH]1 271570a_203496583355_100010079843 [1,0,0,0,0,0|1,0,1]=3 29 B11R2.10 Oc1cn2ccccc2n1 271570a_203496583355_100009819586 [1,0,0,0,0,0|1,0,2]=4 30 B11R2.10 Oc1nc2ccccc2[nH]1 271570a_203496583355_100009814255 [1,0,0,0,0,0|1,0,1]=3 31 B11R2.10 Oc1nc2ccccc2s1 271570a_203496583355_100000751744 [1,0,0,0,0,0|1,0,2]=4 32 B13R2.45 C=Cc1sc2ccccc2c1C 271570a_100011290941_200010198769 [0,1,0,0,0,0|3,0,0]=4 33 B13R2.45 CSC1Cc2ccccc2C1=O 62a_100011218503_200000210301 [0,1,0,0,0,0|1,1,1]=4 34 B13R2.45 CSC1Cc2ccccc2C1=O 62a_200000210301_100011218503 [0,1,0,0,0,0|1,1,1]=4 35 B13R2.45 CSc1sc2ccccc2c1Br 62a_100015504031_200000210301 [0,1,0,0,0,0|2,1,0]=4 36 B13R2.45 CSc1sc2ccccc2c1Br 62a_200000210301_100015504031 [0,1,0,0,0,0|2,1,0]=4 37 B13R2.45 CSc1sc2ccccc2c1C 62a_200000210301_200010198769 [0,1,0,0,0,0|2,1,0]=4 38 B13R2.45 Cc1c(sc2c1cccc2)S[13CH3] 62a_200025704644_200010198769 [0,1,0,0,0,0|2,1,0]=4 39 B13R2.45 O=Cc1sc2ccccc2c1O 271570a_203496583355_100009816528 [0,1,0,0,0,0|1,0,1]=3 40 B13R2.45 [13CH3]SC1Cc2ccccc2C1=O 62a_100011218503_200025704644 [0,1,0,0,0,0|1,1,1]=4 41 B13R2.45 [13CH3]SC1Cc2ccccc2C1=O 62a_200025704644_100011218503 [0,1,0,0,0,0|1,1,1]=4 42 B13R2.45 [13CH3]Sc1sc2ccccc2c1Br 62a_100015504031_200025704644 [0,1,0,0,0,0|2,1,0]=4 43 B13R2.45 [13CH3]Sc1sc2ccccc2c1Br 62a_200025704644_100015504031 [0,1,0,0,0,0|2,1,0]=4 44 B13R2.135 C=Cc1c(oc2c1cccc2)C 271570a_100011290941_200010236113 [0,1,0,0,0,0|3,0,0]=4 45 B13R2.135 C=Cc1c(sc2c1cccc2)C 271570a_100011290941_100010002616 [0,1,0,0,0,0|3,0,0]=4 46 B13R2.135 CSC1C(=O)Nc2c1cccc2 62a_200000210301_200009996675 [0,1,0,0,0,0|0,1,1]=3 47 B13R2.135 CSc1c([nH]c2c1cccn2)C 62a_200000210301_100010174266 [0,1,0,0,0,0|2,1,0]=4 48 B13R2.135 CSc1c(oc2c1cccc2)C 62a_200000210301_200010236113 [0,1,0,0,0,0|2,1,0]=4 49 B13R2.135 CSc1c(sc2c1cccc2)C 62a_100010002616_200000210301 [0,1,0,0,0,0|2,1,0]=4 50 B13R2.135 CSc1c(sc2c1cccc2)C 62a_200000210301_100010002616 [0,1,0,0,0,0|2,1,0]=4 51 B13R2.135 Cc1[nH]c2ncccc2c1S[13CH3] 62a_200025704644_100010174266 [0,1,0,0,0,0|2,1,0]=4 52 B13R2.135 Cc1oc2ccccc2c1S[13CH3] 62a_200025704644_200010236113 [0,1,0,0,0,0|2,1,0]=4 53 B13R2.135 Cc1sc2ccccc2c1S[13CH3] 62a_100010002616_200025704644 [0,1,0,0,0,0|2,1,0]=4 54 B13R2.135 Cc1sc2ccccc2c1S[13CH3] 62a_200025704644_100010002616 [0,1,0,0,0,0|2,1,0]=4 55 B13R2.135 [13CH3]SC1C(=O)Nc2c1cccc2 62a_200025704644_200009996675 [0,1,0,0,0,0|0,1,1]=3 56 B13R2.3028 CC1C(=O)Nc2c1cc(cc2)O 271570a_203496583355_100010251565 [0,1,0,0,0,0|1,0,1]=3 57 B13R2.3028 CC1Cc2ccc(cc2C1=O)O 271570a_203496583355_100000694082 [0,1,0,0,0,0|2,0,1]=4 58 B13R2.3028 CN1C(=O)Cc2c1cc(cc2)O 271570a_203496583355_100010285470 [0,1,0,0,0,0|3,0,0]=4 59 B13R2.3028 CN1Cc2ccc(cc2C1=O)O 271570a_203496583355_100010125600 [0,1,0,0,0,0|3,0,0]=4 60 B13R2.3028 Cc1[nH]c2ccc(cc2c1C)O 271570a_203496583355_100012262263 [0,1,0,0,0,0|2,0,0]=3 61 B13R2.3028 Cn1c(=O)[nH]c2c1cc(cc2)O 271570a_203496583355_100010393459 [0,1,0,0,0,0|2,0,0]=3 62 B13R2.3028 O=C1Nc2ccc(cc2C1=O)O 271570a_203496583355_100000024671 [0,1,0,0,0,0|0,0,0]=1 63 B13R2.3028 O=C1Nc2ncc(cc2C1=O)O 271570a_203496583355_100010174890 [0,1,0,0,0,0|1,0,0]=2 64 B13R2.4825 CC1Cc2c(cccc2C1=O)O 271570a_203496583355_200012356775 [0,1,0,0,0,0|2,0,1]=4 65 B13R2.4825 CN1Cc2c(cccc2C1=O)O 271570a_203496583355_100009817108 [0,1,0,0,0,0|3,0,0]=4 66 B13R2.4825 O=C1Nc2c(cccc2C1=O)O 271570a_203496583355_100000183292 [0,1,0,0,0,0|0,0,0]=1 67 B13R2.4856 CN1C(=O)Cc2c1c(ccc2)O 271570a_203496583355_100010870571 [0,1,0,0,0,0|3,0,0]=4 68 B13R2.4856 Cc1[nH]c2nccc(c2c1C)O 271570a_203496583355_206744597382 [0,1,0,0,0,0|3,0,0]=4 69 B13R2.4856 Cn1c(=O)[nH]c2c1c(ccc2)O 271570a_203496583355_100010994120 [0,1,0,0,0,0|2,0,0]=3 70 B13R2.4856 O=C1Nc2cccc(c2C1=O)O 271570a_203496583355_100000697038 [0,1,0,0,0,0|0,0,0]=1 71 B13R2.5190 CC1C(=O)Nc2c1ccc(c2)O 271570a_203496583355_100010201481 [0,1,0,0,0,0|1,0,1]=3 72 B13R2.5190 CC1Cc2cc(ccc2C1=O)O 271570a_203496583355_100010169280 [0,1,0,0,0,0|2,0,1]=4 73 B13R2.5190 CN1C(=O)Cc2c1ccc(c2)O 271570a_203496583355_100000183948 [0,1,0,0,0,0|3,0,0]=4 74 B13R2.5190 CN1Cc2cc(ccc2C1=O)O 271570a_203496583355_100010161043 [0,1,0,0,0,0|3,0,0]=4 75 B13R2.5190 Cn1c(=O)oc2c1ccc(c2)O 271570a_203496583355_100000753874 [0,1,0,0,0,0|3,0,0]=4 76 B13R2.5190 O=C1Nc2cc(ccc2C1=O)O 271570a_203496583355_100000239657 [0,1,0,0,0,0|0,0,0]=1 77 B11R1.36 C=C(C(=O)C)c1ccccc1 1458a_100000065200_200000210301 [0,0,1,0,0,0|2,0,0]=3 78 B11R1.36 C=C(C(=O)[13CH3])c1ccccc1 1458a_100000065200_200025704644 [0,0,1,0,0,0|2,0,0]=3 79 B11R1.36 CC(=C(C)c1ccccc1)C 271570a_200000049429_100000210277 [0,0,1,0,0,0|3,0,0]=4 80 B11R1.36 CC(=O)C(C)c1ccccc1 1458a_100000070787_100000230085 [0,0,1,0,0,0|2,0,1]=4 81 B11R1.36 CC(=O)C(F)c1ccccc1 1458a_100000698975_200000210301 [0,0,1,0,0,0|2,0,1]=4 82 B11R1.36 CC(=O)N(C)c1ccccc1 11a_100000210012_100015343762 [0,0,1,0,0,0|3,0,0]=4 83 B11R1.36 CC(=O)N(C)c1ccccc1 1626a_100000210012_100015343762 [0,0,1,0,0,0|3,0,0]=4 84 B11R1.36 CC(=O)N(C)c1ccccc1 22a_100000210012_100000070787 [0,0,1,0,0,0|3,0,0]=4 85 B11R1.36 CC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_200000210301 [0,0,1,0,0,0|2,0,1]=4 86 B11R1.36 CC(=O)[C@H](O)c1ccccc1 1458a_100000684486_200000210301 [0,0,1,0,0,0|1,0,2]=4 87 B11R1.36 CC(C)C(=O)c1ccccc1 1458a_100000185807_100000210206 [0,0,1,0,0,0|2,0,1]=4 88 B11R1.36 CN(C)C(=O)c1ccccc1 11a_100102631434_100000185807 [0,0,1,0,0,0|3,0,0]=4 89 B11R1.36 CN(C)C(=O)c1ccccc1 1626a_100102631434_100000185807 [0,0,1,0,0,0|3,0,0]=4 90 B11R1.36 CN(C)C(=O)c1ccccc1 240690a_100102631434_100000185807 [0,0,1,0,0,0|3,0,0]=4 91 B11R1.36 CN(C)C(=O)c1ccccc1 527a_100102631434_100000185807 [0,0,1,0,0,0|3,0,0]=4 92 B11R1.36 C[C@H](C(=O)[13CH3])c1ccccc1 1458a_100000751047_200025704644 [0,0,1,0,0,0|2,0,1]=4 93 B11R1.36 [13CH3]C(=O)C(F)c1ccccc1 1458a_100000698975_200025704644 [0,0,1,0,0,0|2,0,1]=4 94 B11R1.36 [13CH3]C(=O)[C@H](O)c1ccccc1 1458a_100000684486_200025704644 [0,0,1,0,0,0|1,0,2]=4 95 B11R1.40 C#CC(=O)Cc1ccccc1 1458a_100000211873_100015291786 [0,0,1,0,0,0|2,0,1]=4 96 B11R1.40 C=CC(=O)Cc1ccccc1 1458a_100000185746_100015291786 [0,0,1,0,0,0|2,0,0]=3 97 B11R1.40 C=CC(=O)Cc1ccccn1 1458a_100000185746_100000721315 [0,0,1,0,0,0|3,0,0]=4 98 B11R1.40 C=CC(=O)Cc1cccnc1 1458a_100000185746_100000733263 [0,0,1,0,0,0|3,0,0]=4 99 B11R1.40 C=CC(=O)Cc1ccncc1 1458a_100000185746_100000705612 [0,0,1,0,0,0|3,0,0]=4 100 B11R1.40 C=CC(=O)Nc1ccccc1 1626a_100000106764_100000185746 [0,0,1,0,0,0|1,0,0]=2 101 B11R1.40 C=CC(=O)Nc1ccccc1 22a_100000106764_100000185746 [0,0,1,0,0,0|1,0,0]=2 102 B11R1.40 CCC(=O)Cc1ccccc1 1458a_100000210414_100015291786 [0,0,1,0,0,0|2,0,1]=4 103 B11R1.40 CCC(=O)Nc1ccccc1 11a_100000106764_100000210414 [0,0,1,0,0,0|1,0,1]=3 104 B11R1.40 CCC(=O)Nc1ccccc1 1626a_100000106764_100000210414 [0,0,1,0,0,0|1,0,1]=3 105 B11R1.40 CCC(=O)Nc1ccccc1 22a_100000106764_100000210414 [0,0,1,0,0,0|1,0,1]=3 106 B11R1.40 CCC(=O)Nc1ccccc1 527a_100000106764_100000210414 [0,0,1,0,0,0|1,0,1]=3 107 B11R1.40 CNC(=O)Nc1ccccc1 2430a_100000106764_100102657272 [0,0,1,0,0,0|2,0,0]=3 108 B11R1.40 O=C(CO)Cc1ccccc1 1458a_100000210174_100015291786 [0,0,1,0,0,0|1,0,2]=4 109 B11R1.40 O=C(CO)Nc1ccccc1 22a_100000106764_100000210174 [0,0,1,0,0,0|0,0,2]=3 110 B11R1.40 O=C(CO)Nc1ccccc1 527a_100000106764_100000210174 [0,0,1,0,0,0|0,0,2]=3 111 B11R1.41 C=C=Cc1ccccc1C=O 271570a_100015277604_100000211189 [0,0,1,0,0,0|2,0,1]=4 112 B11R1.41 C=CCc1ccccc1C=C 271570a_100011290941_100009828059 [0,0,1,0,0,0|3,0,0]=4 113 B11R1.41 C=Cc1ccccc1NCC 271570a_100011290941_114873767003 [0,0,1,0,0,0|2,0,1]=4 114 B11R1.41 C=Cc1ccccc1NCC 34a_100012022501_100000210202 [0,0,1,0,0,0|2,0,1]=4 115 B11R1.41 C=Cc1ccccc1NCF 34a_100012022501_100015361967 [0,0,1,0,0,0|2,0,1]=4 116 B11R1.41 CC=Cc1ccccc1C=O 271570a_100016259895_100000211189 [0,0,1,0,0,0|2,0,0]=3 117 B11R1.41 CC=Cc1cccnc1C=O 271570a_100016259895_100011934733 [0,0,1,0,0,0|3,0,0]=4 118 B11R1.41 CC=Cc1ccncc1C=O 271570a_100016259895_100000050567 [0,0,1,0,0,0|3,0,0]=4 119 B11R1.41 CC=Cc1cnccc1C=O 271570a_100016259895_100011934409 [0,0,1,0,0,0|3,0,0]=4 120 B11R1.41 CC=Cc1ncccc1C=O 271570a_100016259895_100009816751 [0,0,1,0,0,0|3,0,0]=4 121 B11R1.41 CCSc1ccccc1C=O 62a_100000210073_100000210202 [0,0,1,0,0,0|2,0,1]=4 122 B11R1.41 CCSc1ccccc1C=O 62a_100000210202_100000210073 [0,0,1,0,0,0|2,0,1]=4 123 B11R1.41 CNCc1ccccc1C=O 2230a_106832991635_200009853537 [0,0,1,0,0,0|3,0,0]=4 124 B11R1.41 CNCc1ccccc1C=O 34a_100102657272_200009853537 [0,0,1,0,0,0|3,0,0]=4 125 B11R1.41 CNCc1ccccc1C=O 7a_106832991635_200009853537 [0,0,1,0,0,0|3,0,0]=4 126 B11R1.41 COCc1ccccc1C=O 34a_100138415774_200009853537 [0,0,1,0,0,0|3,0,0]=4 127 B11R1.41 CSCc1ccccc1C=O 62a_200000210301_200009853537 [0,0,1,0,0,0|3,0,0]=4 128 B11R1.41 CSCc1ccccc1C=O 62a_200009853537_200000210301 [0,0,1,0,0,0|3,0,0]=4 129 B11R1.41 CSc1ccccc1NC=O 62a_200000210301_200020615051 [0,0,1,0,0,0|2,0,0]=3 130 B11R1.41 CSc1ccccc1NC=O 62a_200020615051_200000210301 [0,0,1,0,0,0|2,0,0]=3 131 B11R1.41 O=Cc1ccccc1SCF 62a_100000210073_100015361967 [0,0,1,0,0,0|2,0,1]=4 132 B11R1.41 O=Cc1ccccc1SCF 62a_100015361967_100000210073 [0,0,1,0,0,0|2,0,1]=4 133 B11R1.41 [13CH3]SCc1ccccc1C=O 62a_200009853537_200025704644 [0,0,1,0,0,0|3,0,0]=4 134 B11R1.41 [13CH3]SCc1ccccc1C=O 62a_200025704644_200009853537 [0,0,1,0,0,0|3,0,0]=4 135 B11R1.41 [13CH3]Sc1ccccc1NC=O 62a_200020615051_200025704644 [0,0,1,0,0,0|2,0,0]=3 136 B11R1.41 [13CH3]Sc1ccccc1NC=O 62a_200025704644_200020615051 [0,0,1,0,0,0|2,0,0]=3 137 B11R1.222 CCC(=O)c1ccccc1Br 1458a_100000188424_100000210202 [0,0,1,0,0,0|2,0,1]=4 138 B11R1.222 CCC(=O)c1ccccc1C 1458a_100000212026_100000210202 [0,0,1,0,0,0|2,0,1]=4 139 B11R1.222 CCC(=O)c1ccccc1Cl 1458a_100000185844_100000210202 [0,0,1,0,0,0|2,0,1]=4 140 B11R1.222 CCC(=O)c1ccccc1F 1458a_100000188656_100000210202 [0,0,1,0,0,0|2,0,1]=4 141 B11R1.222 CCC(=O)c1ccccc1I 1458a_100000187884_100000210202 [0,0,1,0,0,0|2,0,1]=4 142 B11R1.222 CCC(=O)c1ccccc1O 1458a_100015234032_100000210202 [0,0,1,0,0,0|2,0,1]=4 143 B11R1.222 CCC(=O)c1ccccc1[O-] 1458a_100009911694_100000210202 [0,0,1,0,0,0|2,0,1]=4 144 B11R1.222 CNC(=O)c1ccccc1Br 11a_106832991635_100000188424 [0,0,1,0,0,0|3,0,0]=4 145 B11R1.222 CNC(=O)c1ccccc1Br 1626a_100102657272_100000188424 [0,0,1,0,0,0|3,0,0]=4 146 B11R1.222 CNC(=O)c1ccccc1Br 240690a_100102657272_100000188424 [0,0,1,0,0,0|3,0,0]=4 147 B11R1.222 CNC(=O)c1ccccc1Br 527a_100102657272_100000188424 [0,0,1,0,0,0|3,0,0]=4 148 B11R1.222 CNC(=O)c1ccccc1C 11a_106832991635_100000212026 [0,0,1,0,0,0|3,0,0]=4 149 B11R1.222 CNC(=O)c1ccccc1C 1626a_100102657272_100000212026 [0,0,1,0,0,0|3,0,0]=4 150 B11R1.222 CNC(=O)c1ccccc1C 240690a_100102657272_100000212026 [0,0,1,0,0,0|3,0,0]=4 151 B11R1.222 CNC(=O)c1ccccc1C 527a_100102657272_100000212026 [0,0,1,0,0,0|3,0,0]=4 152 B11R1.222 CNC(=O)c1ccccc1Cl 11a_106832991635_100000185844 [0,0,1,0,0,0|3,0,0]=4 153 B11R1.222 CNC(=O)c1ccccc1Cl 1626a_100102657272_100000185844 [0,0,1,0,0,0|3,0,0]=4 154 B11R1.222 CNC(=O)c1ccccc1Cl 240690a_100102657272_100000185844 [0,0,1,0,0,0|3,0,0]=4 155 B11R1.222 CNC(=O)c1ccccc1Cl 527a_100102657272_100000185844 [0,0,1,0,0,0|3,0,0]=4 156 B11R1.222 CNC(=O)c1ccccc1F 11a_106832991635_100000188656 [0,0,1,0,0,0|3,0,0]=4 157 B11R1.222 CNC(=O)c1ccccc1F 1626a_100102657272_100000188656 [0,0,1,0,0,0|3,0,0]=4 158 B11R1.222 CNC(=O)c1ccccc1F 240690a_100102657272_100000188656 [0,0,1,0,0,0|3,0,0]=4 159 B11R1.222 CNC(=O)c1ccccc1F 527a_100102657272_100000188656 [0,0,1,0,0,0|3,0,0]=4 160 B11R1.222 CNC(=O)c1ccccc1I 11a_106832991635_100000187884 [0,0,1,0,0,0|3,0,0]=4 161 B11R1.222 CNC(=O)c1ccccc1I 1626a_100102657272_100000187884 [0,0,1,0,0,0|3,0,0]=4 162 B11R1.222 CNC(=O)c1ccccc1I 240690a_100102657272_100000187884 [0,0,1,0,0,0|3,0,0]=4 163 B11R1.222 CNC(=O)c1ccccc1I 527a_100102657272_100000187884 [0,0,1,0,0,0|3,0,0]=4 164 B11R1.222 CNC(=O)c1ccccc1O 240690a_100102657272_100015234032 [0,0,1,0,0,0|3,0,0]=4 165 B11R1.222 CNC(=O)c1ccccc1O 271570a_203496583355_100000155073 [0,0,1,0,0,0|3,0,0]=4 166 B11R1.222 CNC(=O)c1ccccc1[O-] 1626a_100102657272_100009911694 [0,0,1,0,0,0|3,0,0]=4 167 B11R1.222 CNC(=O)c1ccccc1[O-] 240690a_100102657272_100009911694 [0,0,1,0,0,0|3,0,0]=4 168 B11R1.222 CNC(=O)c1ccccc1[O-] 527a_100102657272_100009911694 [0,0,1,0,0,0|3,0,0]=4 169 B11R1.222 COC(=O)c1ccccc1O 271570a_203496583355_100000148710 [0,0,1,0,0,0|3,0,0]=4 170 B11R1.222 Cc1ccccc1C(=O)CF 1458a_100000212026_100015361967 [0,0,1,0,0,0|2,0,1]=4 171 B11R1.222 NNC(=O)c1ccccc1O 271570a_203496583355_100000190081 [0,0,1,0,0,0|3,0,0]=4 172 B11R1.222 O=C(CF)c1ccccc1Br 1458a_100000188424_100015361967 [0,0,1,0,0,0|2,0,1]=4 173 B11R1.222 O=C(CF)c1ccccc1Cl 1458a_100000185844_100015361967 [0,0,1,0,0,0|2,0,1]=4 174 B11R1.222 O=C(CF)c1ccccc1F 1458a_100000188656_100015361967 [0,0,1,0,0,0|2,0,1]=4 175 B11R1.222 O=C(CF)c1ccccc1I 1458a_100000187884_100015361967 [0,0,1,0,0,0|2,0,1]=4 176 B11R1.222 O=C(CF)c1ccccc1O 1458a_100015234032_100015361967 [0,0,1,0,0,0|2,0,1]=4 177 B11R1.222 O=C(CF)c1ccccc1[O-] 1458a_100009911694_100015361967 [0,0,1,0,0,0|2,0,1]=4 178 B13R2.32 Cc1c(ccc2c1cccc2)O 271570a_203496583355_100010221197 [0,0,0,0,0,1|2,0,1]=4 179 B13R2.32 Cc1ccc2ccccc2c1O 271570a_203496583355_100000759710 [0,0,0,0,0,1|2,0,1]=4 180 B13R2.32 Cc1cnc2ccccc2c1O 271570a_203496583355_100000092342 [0,0,0,0,0,1|1,0,2]=4 181 B13R2.32 Nc1c(ccc2c1cccc2)O 271570a_203496583355_100009817101 [0,0,0,0,0,1|2,0,1]=4 182 B13R2.32 Nc1c(cnc2c1cccc2)O 271570a_203496583355_100009995562 [0,0,0,0,0,1|1,0,2]=4 183 B13R2.32 Nc1c(ncc2c1cccc2)O 271570a_203496583355_100000087573 [0,0,0,0,0,1|1,0,2]=4 184 B13R2.32 Nc1ccc2ccccc2c1O 271570a_203496583355_100000705303 [0,0,0,0,0,1|2,0,1]=4 185 B13R2.32 Nc1cnc2ccccc2c1O 271570a_203496583355_100012243074 [0,0,0,0,0,1|1,0,2]=4 186 B13R2.32 Nc1ncc2ccccc2c1O 271570a_203496583355_100009994184 [0,0,0,0,0,1|1,0,2]=4 187 B13R2.32 O=c1c(c[nH]c2c1cccc2)O 271570a_203496583355_100012339567 [0,0,0,0,0,1|0,0,1]=2 188 B13R2.32 O=c1c(coc2c1cccc2)O 271570a_203496583355_100009813851 [0,0,0,0,0,1|1,0,1]=3 189 B13R2.32 Oc1c(ccc2c1cccc2)Br 271570a_203496583355_100010090040 [0,0,0,0,0,1|2,0,1]=4 190 B13R2.32 Oc1c(cnc2c1cccc2)Br 271570a_203496583355_200010179490 [0,0,0,0,0,1|1,0,2]=4 191 B13R2.32 Oc1ccc2ccccc2c1Br 271570a_203496583355_200010089984 [0,0,0,0,0,1|2,0,1]=4 192 B13R2.32 Oc1ccc2ccccc2c1F 271570a_203496583355_100009832041 [0,0,0,0,0,1|2,0,1]=4 193 B13R2.32 Oc1ccc2ccccc2c1O 271570a_203496583355_100000183829 [0,0,0,0,0,1|1,0,2]=4 194 B13R2.32 Oc1ccc2ccccc2c1O 271570a_203496583355_100009996032 [0,0,0,0,0,1|1,0,2]=4 195 B13R2.32 Oc1cnc2ccccc2c1Cl 271570a_203496583355_100012352519 [0,0,0,0,0,1|1,0,2]=4 196 B13R2.32 Oc1nnc2ccccc2c1O 271570a_203496583355_100000688347 [0,0,0,0,0,1|0,0,3]=4 197 B13R2.328 Cc1cc(c2ccccc2n1)O 271570a_203496583355_100000764982 [0,0,0,0,0,1|1,0,2]=4 198 B13R2.328 Cc1cc(nc2c1cccc2)O 271570a_203496583355_100012354972 [0,0,0,0,0,1|1,0,2]=4 199 B13R2.328 Cc1cc2ccccc2c(n1)O 271570a_203496583355_100000698243 [0,0,0,0,0,1|2,0,1]=4 200 B13R2.328 Cc1nc(c2ccccc2n1)O 271570a_203496583355_100000230251 [0,0,0,0,0,1|1,0,2]=4 201 B13R2.328 Cc1nc(nc2c1cccc2)O 271570a_203496583355_100000046098 [0,0,0,0,0,1|1,0,2]=4 202 B13R2.328 Nc1cc(c2ccccc2c1)O 271570a_203496583355_100010089974 [0,0,0,0,0,1|2,0,1]=4 203 B13R2.328 Nc1cc(cc2c1cccc2)O 271570a_203496583355_100010171453 [0,0,0,0,0,1|2,0,1]=4 204 B13R2.328 Nc1cc(nc2c1cccc2)O 271570a_203496583355_100010197925 [0,0,0,0,0,1|1,0,2]=4 205 B13R2.328 Nc1cc2ccccc2c(n1)O 271570a_203496583355_100009814382 [0,0,0,0,0,1|2,0,1]=4 206 B13R2.328 Nc1nc(cc2c1cccc2)O 271570a_203496583355_100009957331 [0,0,0,0,0,1|2,0,1]=4 207 B13R2.328 O=c1cc([nH]c2c1cccc2)O 271570a_203496583355_100000090176 [0,0,0,0,0,1|0,0,1]=2 208 B13R2.328 O=c1cc(c2ccccc2[nH]1)O 271570a_203496583355_100000075698 [0,0,0,0,0,1|0,0,1]=2 209 B13R2.328 O=c1cc(c2cccnc2[nH]1)O 271570a_203496583355_100010499609 [0,0,0,0,0,1|1,0,1]=3 210 B13R2.328 O=c1cc(nc2n1cccc2)O 271570a_203496583355_100000707704 [0,0,0,0,0,1|1,0,2]=4 211 B13R2.328 Oc1cc(c2ccccc2c1)O 271570a_203496583355_100010001680 [0,0,0,0,0,1|1,0,2]=4 212 B13R2.328 Oc1cc(c2ccccc2c1)O 271570a_203496583355_100010089979 [0,0,0,0,0,1|1,0,2]=4 213 B13R2.369 Cc1cc2ccccc2nc1O 271570a_203496583355_100000751756 [0,0,0,0,0,1|1,0,2]=4 214 B13R2.369 Cc1nc2ccccc2nc1O 271570a_203496583355_100000185947 [0,0,0,0,0,1|1,0,2]=4 215 B13R2.369 Nc1cc2ccccc2cc1O 271570a_203496583355_100009991566 [0,0,0,0,0,1|2,0,1]=4 216 B13R2.369 Nc1nc2ccccc2cc1O 271570a_203496583355_100010135404 [0,0,0,0,0,1|1,0,2]=4 217 B13R2.369 Nc1nc2ccccc2nc1O 271570a_203496583355_100000009970 [0,0,0,0,0,1|1,0,2]=4 218 B13R2.369 O=c1oc2ccccc2cc1O 271570a_203496583355_200000187772 [0,0,0,0,0,1|1,0,1]=3 219 B13R2.369 Oc1cc2ccccc2cc1Br 271570a_203496583355_200010169544 [0,0,0,0,0,1|2,0,1]=4 220 B13R2.369 Oc1cc2ccccc2cc1Cl 271570a_203496583355_100010152806 [0,0,0,0,0,1|2,0,1]=4 221 B13R2.369 Oc1cc2ccccc2cc1O 271570a_203496583355_100009817189 [0,0,0,0,0,1|1,0,2]=4 222 B13R2.369 Oc1cc2ccccc2nc1Cl 271570a_203496583355_100010220712 [0,0,0,0,0,1|1,0,2]=4 223 B13R2.369 Oc1cc2ccccc2nc1F 271570a_203496583355_100011158909 [0,0,0,0,0,1|1,0,2]=4 224 B13R2.369 Oc1cc2ccccc2nc1O 271570a_203496583355_200000100762 [0,0,0,0,0,1|0,0,3]=4 225 B13R2.369 Oc1cc2ccccc2nc1O 271570a_203496583355_200009820883 [0,0,0,0,0,1|0,0,3]=4 226 B13R2.369 Oc1nc2ccccc2cc1Br 271570a_203496583355_100010072790 [0,0,0,0,0,1|1,0,2]=4 227 B10R1.15 CCC(=O)c1ccccc1 1458a_100000185807_100000210202 [1,0,1,0,0,0|1,0,1]=4 228 B10R1.15 CNC(=O)c1ccccc1 11a_106832991635_100000185807 [1,0,1,0,0,0|2,0,0]=4 229 B10R1.15 CNC(=O)c1ccccc1 1626a_100102657272_100000185807 [1,0,1,0,0,0|2,0,0]=4 230 B10R1.15 CNC(=O)c1ccccc1 240690a_100102657272_100000185807 [1,0,1,0,0,0|2,0,0]=4 231 B10R1.15 CNC(=O)c1ccccc1 527a_100102657272_100000185807 [1,0,1,0,0,0|2,0,0]=4 232 B10R1.15 O=C(CF)c1ccccc1 1458a_100000185807_100015361967 [1,0,1,0,0,0|1,0,1]=4 233 B10R1.18 CC(=Cc1ccccc1)C 271570a_100102525489_100000210277 [1,0,1,0,0,0|2,0,0]=4 234 B10R1.18 CC(=O)Cc1ccccc1 1458a_100000070787_100015291786 [1,0,1,0,0,0|1,0,1]=4 235 B10R1.18 CC(=O)Nc1ccccc1 11a_100000106764_100015343762 [1,0,1,0,0,0|0,0,1]=3 236 B10R1.18 CC(=O)Nc1ccccc1 1626a_100000106764_100015343762 [1,0,1,0,0,0|0,0,1]=3 237 B10R1.18 CC(=O)Nc1ccccc1 22a_100000106764_100000070787 [1,0,1,0,0,0|0,0,1]=3 238 B10R1.18 CC(=O)Nc1ccccc1 527a_100000106764_100103153847 [1,0,1,0,0,0|0,0,1]=3 239 B10R1.17 C=CCNc1ccccc1 34a_100000106764_100015514636 [1,0,1,0,0,0|1,0,1]=4 240 B10R1.17 CC=NNc1ccccc1 4a_100015195140_200000210099 [1,0,1,0,0,0|2,0,0]=4 241 B10R1.17 O=CCNc1ccccc1 34a_100000106764_200009817547 [1,0,1,0,0,0|0,0,1]=3 242 B10R1.17 O=CCOc1ccccc1 34a_100000210340_200009817547 [1,0,1,0,0,0|1,0,1]=4 243 B10R1.17 O=CCOc1ccccc1 7a_100000210340_200015260668 [1,0,1,0,0,0|1,0,1]=4 244 B10R1.17 O=CCSc1ccccc1 62a_100000719477_200015260668 [1,0,1,0,0,0|1,0,1]=4 245 B10R1.17 O=CCSc1ccccc1 62a_200015260668_100000041952 [1,0,1,0,0,0|1,0,1]=4 246 B10R1.4 C=C=Cc1ccccc1N 271570a_100015277604_100000210017 [1,0,1,0,0,0|1,0,1]=4 247 B10R1.4 CC=Cc1ccccc1Br 271570a_100016259895_100000695589 [1,0,1,0,0,0|2,0,0]=4 248 B10R1.4 CC=Cc1ccccc1C 271570a_100016259895_100000210755 [1,0,1,0,0,0|2,0,0]=4 249 B10R1.4 CC=Cc1ccccc1Cl 271570a_100016259895_100000764095 [1,0,1,0,0,0|2,0,0]=4 250 B10R1.4 CC=Cc1ccccc1F 271570a_100016259895_100011215700 [1,0,1,0,0,0|2,0,0]=4 251 B10R1.4 CC=Cc1ccccc1N 271570a_100016259895_100000210017 [1,0,1,0,0,0|1,0,0]=3 252 B10R1.4 CC=Cc1ccccc1O 271570a_100016259895_100000739446 [1,0,1,0,0,0|2,0,0]=4 253 B10R1.4 CC=Cc1cccnc1N 271570a_100016259895_100000045569 [1,0,1,0,0,0|2,0,0]=4 254 B10R1.4 CC=Cc1ccncc1N 271570a_100016259895_100009815883 [1,0,1,0,0,0|2,0,0]=4 255 B10R1.4 CC=Cc1cnccc1N 271570a_100016259895_100000047001 [1,0,1,0,0,0|2,0,0]=4 256 B10R1.4 CC=Cc1ncccc1N 271570a_100016259895_100000688686 [1,0,1,0,0,0|2,0,0]=4 257 B10R1.20 C=Cc1ccccc1C=O 271570a_100011290941_100000211189 [1,0,1,0,0,0|1,0,0]=3 258 B10R1.20 C=Cc1ccccc1NC 271570a_100011290941_100020606079 [1,0,1,0,0,0|1,0,1]=4 259 B10R1.20 C=Cc1ccccc1NC 34a_100012022501_200000210301 [1,0,1,0,0,0|1,0,1]=4 260 B10R1.20 C=Cc1ccccc1NN 271570a_100011290941_100000241748 [1,0,1,0,0,0|2,0,0]=4 261 B10R1.20 C=Cc1ccccc1N[13CH3] 34a_100012022501_200025704644 [1,0,1,0,0,0|1,0,1]=4 262 B10R1.20 C=Cc1cccnc1C=O 271570a_100011290941_100011934733 [1,0,1,0,0,0|2,0,0]=4 263 B10R1.20 C=Cc1ccncc1C=O 271570a_100011290941_100000050567 [1,0,1,0,0,0|2,0,0]=4 264 B10R1.20 C=Cc1cnccc1C=O 271570a_100011290941_100011934409 [1,0,1,0,0,0|2,0,0]=4 265 B10R1.20 C=Cc1ncccc1C=O 271570a_100011290941_100009816751 [1,0,1,0,0,0|2,0,0]=4 266 B10R1.20 CSc1ccccc1C=O 62a_100000210073_200000210301 [1,0,1,0,0,0|1,0,1]=4 267 B10R1.20 CSc1ccccc1C=O 62a_200000210301_100000210073 [1,0,1,0,0,0|1,0,1]=4 268 B10R1.20 [13CH3]Sc1ccccc1C=O 62a_100000210073_200025704644 [1,0,1,0,0,0|1,0,1]=4 269 B10R1.20 [13CH3]Sc1ccccc1C=O 62a_200025704644_100000210073 [1,0,1,0,0,0|1,0,1]=4 270 B10R1.61 C=C(C)c1ccccc1Br 271570a_100000694244_100000695589 [1,0,1,0,0,0|2,0,0]=4 271 B10R1.61 C=C(C)c1ccccc1C 271570a_100000694244_100000210755 [1,0,1,0,0,0|2,0,0]=4 272 B10R1.61 C=C(C)c1ccccc1Cl 271570a_100000694244_100000764095 [1,0,1,0,0,0|2,0,0]=4 273 B10R1.61 C=C(C)c1ccccc1F 271570a_100000694244_100011215700 [1,0,1,0,0,0|2,0,0]=4 274 B10R1.61 C=C(C)c1ccccc1N 271570a_100000694244_100000210017 [1,0,1,0,0,0|1,0,0]=3 275 B10R1.61 C=C(C)c1ccccc1O 271570a_100000694244_100000739446 [1,0,1,0,0,0|2,0,0]=4 276 B10R1.61 C=C(C)c1cccnc1N 271570a_100000694244_100000045569 [1,0,1,0,0,0|2,0,0]=4 277 B10R1.61 C=C(C)c1ccncc1N 271570a_100000694244_100009815883 [1,0,1,0,0,0|2,0,0]=4 278 B10R1.61 C=C(C)c1cnccc1N 271570a_100000694244_100000047001 [1,0,1,0,0,0|2,0,0]=4 279 B10R1.61 C=C(C)c1ncccc1N 271570a_100000694244_100000688686 [1,0,1,0,0,0|2,0,0]=4 280 B10R1.61 CC(=O)c1ccccc1Br 1458a_100000188424_200000210301 [1,0,1,0,0,0|1,0,1]=4 281 B10R1.61 CC(=O)c1ccccc1C 1458a_100000212026_200000210301 [1,0,1,0,0,0|1,0,1]=4 282 B10R1.61 CC(=O)c1ccccc1Cl 1458a_100000185844_200000210301 [1,0,1,0,0,0|1,0,1]=4 283 B10R1.61 CC(=O)c1ccccc1F 1458a_100000188656_200000210301 [1,0,1,0,0,0|1,0,1]=4 284 B10R1.61 CC(=O)c1ccccc1I 1458a_100000187884_200000210301 [1,0,1,0,0,0|1,0,1]=4 285 B10R1.61 CC(=O)c1ccccc1O 1458a_100015234032_200000210301 [1,0,1,0,0,0|1,0,1]=4 286 B10R1.61 CC(=O)c1ccccc1O 271570a_203496583355_100000751169 [1,0,1,0,0,0|1,0,1]=4 287 B10R1.61 CC(=O)c1ccccc1[O-] 1458a_100009911694_200000210301 [1,0,1,0,0,0|1,0,1]=4 288 B10R1.61 Cc1ccccc1C(=O)[13CH3] 1458a_100000212026_200025704644 [1,0,1,0,0,0|1,0,1]=4 289 B10R1.61 NC(=O)c1ccccc1O 271570a_203496583355_100000162227 [1,0,1,0,0,0|2,0,0]=4 290 B10R1.61 [13CH3]C(=O)c1ccccc1Br 1458a_100000188424_200025704644 [1,0,1,0,0,0|1,0,1]=4 291 B10R1.61 [13CH3]C(=O)c1ccccc1Cl 1458a_100000185844_200025704644 [1,0,1,0,0,0|1,0,1]=4 292 B10R1.61 [13CH3]C(=O)c1ccccc1F 1458a_100000188656_200025704644 [1,0,1,0,0,0|1,0,1]=4 293 B10R1.61 [13CH3]C(=O)c1ccccc1I 1458a_100000187884_200025704644 [1,0,1,0,0,0|1,0,1]=4 294 B10R1.61 [13CH3]C(=O)c1ccccc1O 1458a_100015234032_200025704644 [1,0,1,0,0,0|1,0,1]=4 295 B10R1.61 [13CH3]C(=O)c1ccccc1[O-] 1458a_100009911694_200025704644 [1,0,1,0,0,0|1,0,1]=4 296 B12R1.20 NC(=O)C(=O)c1ccc(cc1)O 271570a_203496583355_200009822167 [0,1,1,0,0,0|0,0,0]=2 297 B12R1.34 C=C(C(=O)CC)c1ccccc1 1458a_100000065200_100000210202 [0,1,1,0,0,0|2,0,0]=4 298 B12R1.34 C=C(C(=O)CF)c1ccccc1 1458a_100000065200_100015361967 [0,1,1,0,0,0|2,0,0]=4 299 B12R1.34 C=C(C(=O)NC)c1ccccc1 1626a_100102657272_100000065200 [0,1,1,0,0,0|1,0,0]=3 300 B12R1.34 CNC(=O)C(F)c1ccccc1 11a_106832991635_100000698975 [0,1,1,0,0,0|1,0,1]=4 301 B12R1.34 CNC(=O)C(F)c1ccccc1 1626a_100102657272_100000698975 [0,1,1,0,0,0|1,0,1]=4 302 B12R1.34 CNC(=O)C(F)c1ccccc1 240690a_100102657272_100000698975 [0,1,1,0,0,0|1,0,1]=4 303 B12R1.34 CNC(=O)C(F)c1ccccc1 527a_100102657272_100000698975 [0,1,1,0,0,0|1,0,1]=4 304 B12R1.34 CNC(=O)N(C)c1ccccc1 512a_106832991638_100000210012 [0,1,1,0,0,0|2,0,0]=4 305 B12R1.34 CNC(=O)[C@@H](C)c1ccccc1 11a_106832991635_100000751047 [0,1,1,0,0,0|1,0,1]=4 306 B12R1.34 CNC(=O)[C@@H](C)c1ccccc1 1626a_100102657272_100000751047 [0,1,1,0,0,0|1,0,1]=4 307 B12R1.34 CNC(=O)[C@@H](C)c1ccccc1 240690a_100102657272_100000751047 [0,1,1,0,0,0|1,0,1]=4 308 B12R1.34 CNC(=O)[C@@H](C)c1ccccc1 527a_100102657272_100000751047 [0,1,1,0,0,0|1,0,1]=4 309 B12R1.34 CNC(=O)[C@H](O)c1ccccc1 240690a_100102657272_100000684486 [0,1,1,0,0,0|0,0,2]=4 310 B12R1.34 CNC(C)C(=O)c1ccccc1 2230a_106832991635_100000239700 [0,1,1,0,0,0|1,0,1]=4 311 B12R1.34 CNC(C)C(=O)c1ccccc1 7a_106832991635_100000239700 [0,1,1,0,0,0|1,0,1]=4 312 B12R1.478 CNC(C(=O)N)c1ccccc1 2230a_106832991635_100000188848 [0,1,1,0,0,0|1,0,1]=4 313 B12R1.478 CNC(C(=O)N)c1ccccc1 7a_106832991635_100000188848 [0,1,1,0,0,0|1,0,1]=4 314 B12R1.478 CN[C@@H](C(=O)N)c1ccccc1 2230a_100011423151_200000210301 [0,1,1,0,0,0|1,0,1]=4 315 B12R1.478 COC(C(=O)N)c1ccccc1 34a_100011200849_200000210301 [0,1,1,0,0,0|0,0,2]=4 316 B12R1.478 COC(C(=O)N)c1ccccc1 7a_100011200849_200000210301 [0,1,1,0,0,0|0,0,2]=4 317 B12R1.478 CSC(C(=O)N)c1ccccc1 62a_100000188848_200000210301 [0,1,1,0,0,0|0,1,1]=4 318 B12R1.478 CSC(C(=O)N)c1ccccc1 62a_200000210301_100000188848 [0,1,1,0,0,0|0,1,1]=4 319 B12R1.478 [13CH3]N[C@@H](C(=O)N)c1ccccc1 2230a_100011423151_200025704644 [0,1,1,0,0,0|1,0,1]=4 320 B12R1.478 [13CH3]OC(C(=O)N)c1ccccc1 34a_100011200849_200025704644 [0,1,1,0,0,0|0,0,2]=4 321 B12R1.478 [13CH3]OC(C(=O)N)c1ccccc1 7a_100011200849_200025704644 [0,1,1,0,0,0|0,0,2]=4 322 B12R1.478 [13CH3]SC(C(=O)N)c1ccccc1 62a_100000188848_200025704644 [0,1,1,0,0,0|0,1,1]=4 323 B12R1.478 [13CH3]SC(C(=O)N)c1ccccc1 62a_200025704644_100000188848 [0,1,1,0,0,0|0,1,1]=4 324 B12R1.32 C#CCC(=O)Nc1ccccc1 1626a_100000106764_100011220946 [0,1,1,0,0,0|1,0,1]=4 325 B12R1.32 C#CCC(=O)Nc1ccccc1 527a_100000106764_100011220946 [0,1,1,0,0,0|1,0,1]=4 326 B12R1.32 C=CCC(=O)Cc1ccccc1 1458a_100000210193_100015291786 [0,1,1,0,0,0|2,0,0]=4 327 B12R1.32 C=CCC(=O)Nc1ccccc1 11a_100000106764_100000210193 [0,1,1,0,0,0|1,0,0]=3 328 B12R1.32 C=CCC(=O)Nc1ccccc1 1626a_100000106764_100000210193 [0,1,1,0,0,0|1,0,0]=3 329 B12R1.32 C=CCC(=O)Nc1ccccc1 22a_100000106764_100000210193 [0,1,1,0,0,0|1,0,0]=3 330 B12R1.32 C=CCC(=O)Nc1ccccc1 527a_100000106764_100000210193 [0,1,1,0,0,0|1,0,0]=3 331 B12R1.32 CC#CC(=O)Nc1ccccc1 22a_100000106764_100000763181 [0,1,1,0,0,0|1,0,1]=4 332 B12R1.32 CC=CC(=O)Cc1ccccc1 1458a_100000210699_100015291786 [0,1,1,0,0,0|2,0,0]=4 333 B12R1.32 CC=CC(=O)Nc1ccccc1 11a_100000106764_100000210699 [0,1,1,0,0,0|1,0,0]=3 334 B12R1.32 CC=CC(=O)Nc1ccccc1 1626a_100000106764_100000210699 [0,1,1,0,0,0|1,0,0]=3 335 B12R1.32 CC=CC(=O)Nc1ccccc1 22a_100000106764_100000210699 [0,1,1,0,0,0|1,0,0]=3 336 B12R1.32 CCCC(=O)Nc1ccccc1 11a_100000106764_100000211992 [0,1,1,0,0,0|1,0,1]=4 337 B12R1.32 CCCC(=O)Nc1ccccc1 1626a_100000106764_100000211992 [0,1,1,0,0,0|1,0,1]=4 338 B12R1.32 CCCC(=O)Nc1ccccc1 22a_100000106764_100000211992 [0,1,1,0,0,0|1,0,1]=4 339 B12R1.32 CCCC(=O)Nc1ccccc1 527a_100000106764_100000211992 [0,1,1,0,0,0|1,0,1]=4 340 B12R1.32 CCNC(=O)Nc1ccccc1 2430a_100000106764_100015525214 [0,1,1,0,0,0|1,0,1]=4 341 B12R1.32 CNCC(=O)Nc1ccccc1 2230a_106832991635_100000182850 [0,1,1,0,0,0|1,0,1]=4 342 B12R1.32 CNCC(=O)Nc1ccccc1 34a_100102657272_100000182850 [0,1,1,0,0,0|1,0,1]=4 343 B12R1.32 CNCC(=O)Nc1ccccc1 7a_106832991635_100000182850 [0,1,1,0,0,0|1,0,1]=4 344 B12R1.32 COCC(=O)Nc1ccccc1 11a_100000106764_100000210968 [0,1,1,0,0,0|0,0,2]=4 345 B12R1.32 COCC(=O)Nc1ccccc1 1626a_100000106764_100000210968 [0,1,1,0,0,0|0,0,2]=4 346 B12R1.32 COCC(=O)Nc1ccccc1 22a_100000106764_100000210968 [0,1,1,0,0,0|0,0,2]=4 347 B12R1.32 COCC(=O)Nc1ccccc1 34a_100000246334_200000210301 [0,1,1,0,0,0|0,0,2]=4 348 B12R1.32 COCC(=O)Nc1ccccc1 34a_100138415774_100000182850 [0,1,1,0,0,0|0,0,2]=4 349 B12R1.32 COCC(=O)Nc1ccccc1 527a_100000106764_100000210968 [0,1,1,0,0,0|0,0,2]=4 350 B12R1.32 CSCC(=O)Nc1ccccc1 11a_100000106764_100000184570 [0,1,1,0,0,0|0,1,1]=4 351 B12R1.32 CSCC(=O)Nc1ccccc1 1626a_100000106764_100000184570 [0,1,1,0,0,0|0,1,1]=4 352 B12R1.32 CSCC(=O)Nc1ccccc1 22a_100000106764_100000184570 [0,1,1,0,0,0|0,1,1]=4 353 B12R1.32 CSCC(=O)Nc1ccccc1 527a_100000106764_100000184570 [0,1,1,0,0,0|0,1,1]=4 354 B12R1.32 CSCC(=O)Nc1ccccc1 62a_100012148978_200000210301 [0,1,1,0,0,0|0,1,1]=4 355 B12R1.32 CSCC(=O)Nc1ccccc1 62a_200000210301_100000182850 [0,1,1,0,0,0|0,1,1]=4 356 B12R1.32 N#CCC(=O)Nc1ccccc1 1626a_100000106764_100051588842 [0,1,1,0,0,0|1,0,1]=4 357 B12R1.32 N#CCC(=O)Nc1ccccc1 22a_100000106764_100051588842 [0,1,1,0,0,0|1,0,1]=4 358 B12R1.32 O=C(C=CBr)Cc1ccccc1 1458a_100016273825_100015291786 [0,1,1,0,0,0|2,0,0]=4 359 B12R1.32 O=C(C=CBr)Nc1ccccc1 1626a_100000106764_100016273825 [0,1,1,0,0,0|1,0,0]=3 360 B12R1.32 O=C(C=CCl)Cc1ccccc1 1458a_200016279998_100015291786 [0,1,1,0,0,0|2,0,0]=4 361 B12R1.32 O=C(C=CCl)Nc1ccccc1 11a_100000106764_200016279998 [0,1,1,0,0,0|1,0,0]=3 362 B12R1.32 O=C(C=CCl)Nc1ccccc1 1626a_100000106764_200016279998 [0,1,1,0,0,0|1,0,0]=3 363 B12R1.32 O=C(C=CI)Cc1ccccc1 1458a_100016256311_100015291786 [0,1,1,0,0,0|2,0,0]=4 364 B12R1.32 O=C(C=CI)Nc1ccccc1 1626a_100000106764_100016256311 [0,1,1,0,0,0|1,0,0]=3 365 B12R1.32 O=C(CCO)Nc1ccccc1 22a_100000106764_100011216618 [0,1,1,0,0,0|0,0,2]=4 366 B12R1.32 [13CH3]OCC(=O)Nc1ccccc1 34a_100000246334_200025704644 [0,1,1,0,0,0|0,0,2]=4 367 B12R1.32 [13CH3]SCC(=O)Nc1ccccc1 62a_100012148978_200025704644 [0,1,1,0,0,0|0,1,1]=4 368 B12R1.32 [13CH3]SCC(=O)Nc1ccccc1 62a_200025704644_100000182850 [0,1,1,0,0,0|0,1,1]=4 369 B12R1.43 C/C(=C\c1ccccc1)/C(=O)[13CH3] 1458a_100016990649_200025704644 [0,1,1,0,0,0|2,0,0]=4 370 B12R1.43 C=C(Br)C(=O)Nc1ccccc1 11a_100000106764_100009813364 [0,1,1,0,0,0|1,0,0]=3 371 B12R1.43 C=C(Br)C(=O)Nc1ccccc1 1626a_100000106764_100009813364 [0,1,1,0,0,0|1,0,0]=3 372 B12R1.43 C=C(C)C(=O)Cc1ccccc1 1458a_100000185857_100015291786 [0,1,1,0,0,0|2,0,0]=4 373 B12R1.43 C=C(C)C(=O)Nc1ccccc1 11a_100000106764_100000185857 [0,1,1,0,0,0|1,0,0]=3 374 B12R1.43 C=C(C)C(=O)Nc1ccccc1 1626a_100000106764_100000185857 [0,1,1,0,0,0|1,0,0]=3 375 B12R1.43 C=C(C)C(=O)Nc1ccccc1 22a_100000106764_100000185857 [0,1,1,0,0,0|1,0,0]=3 376 B12R1.43 C=C(Cl)C(=O)Nc1ccccc1 11a_100000106764_100000039160 [0,1,1,0,0,0|1,0,0]=3 377 B12R1.43 C=C(Cl)C(=O)Nc1ccccc1 1626a_100000106764_100000039160 [0,1,1,0,0,0|1,0,0]=3 378 B12R1.43 C=C(Cl)C(=O)Nc1ccccc1 22a_100000106764_100000039160 [0,1,1,0,0,0|1,0,0]=3 379 B12R1.43 C=C(F)C(=O)Nc1ccccc1 11a_100000106764_100000036797 [0,1,1,0,0,0|1,0,0]=3 380 B12R1.43 C=C(F)C(=O)Nc1ccccc1 1626a_100000106764_100000036797 [0,1,1,0,0,0|1,0,0]=3 381 B12R1.43 C=C(F)C(=O)Nc1ccccc1 22a_100000106764_100000036797 [0,1,1,0,0,0|1,0,0]=3 382 B12R1.43 CC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_200000210301 [0,1,1,0,0,0|2,0,0]=4 383 B12R1.43 CC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_200000210301 [0,1,1,0,0,0|2,0,0]=4 384 B12R1.43 CC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_200000210301 [0,1,1,0,0,0|2,0,0]=4 385 B12R1.43 CC(=O)C(=O)Nc1ccccc1 1458a_100000738435_200000210301 [0,1,1,0,0,0|0,0,0]=2 386 B12R1.43 CC(C)C(=O)Nc1ccccc1 11a_100000106764_100000210198 [0,1,1,0,0,0|1,0,1]=4 387 B12R1.43 CC(C)C(=O)Nc1ccccc1 1626a_100000106764_100000210198 [0,1,1,0,0,0|1,0,1]=4 388 B12R1.43 CC(C)C(=O)Nc1ccccc1 22a_100000106764_100000210198 [0,1,1,0,0,0|1,0,1]=4 389 B12R1.43 CC(C)C(=O)Nc1ccccc1 527a_100000106764_100000210198 [0,1,1,0,0,0|1,0,1]=4 390 B12R1.43 CC(F)C(=O)Nc1ccccc1 11a_100000106764_100000062450 [0,1,1,0,0,0|1,0,1]=4 391 B12R1.43 CC(F)C(=O)Nc1ccccc1 1626a_100000106764_100000062450 [0,1,1,0,0,0|1,0,1]=4 392 B12R1.43 CC(F)C(=O)Nc1ccccc1 22a_100000106764_100000062450 [0,1,1,0,0,0|1,0,1]=4 393 B12R1.43 CC(F)C(=O)Nc1ccccc1 527a_100000106764_100000062450 [0,1,1,0,0,0|1,0,1]=4 394 B12R1.43 CC(Nc1ccccc1)C(=O)N 34a_100000106764_100000702099 [0,1,1,0,0,0|1,0,1]=4 395 B12R1.43 CN(C)C(=O)Nc1ccccc1 2430a_100000106764_100102631434 [0,1,1,0,0,0|2,0,0]=4 396 B12R1.43 C[C@@H](O)C(=O)Nc1ccccc1 22a_100000106764_100000717761 [0,1,1,0,0,0|0,0,2]=4 397 B12R1.43 C[C@H](O)C(=O)Nc1ccccc1 1626a_100000106764_217856618621 [0,1,1,0,0,0|0,0,2]=4 398 B12R1.43 C[C@H](O)C(=O)Nc1ccccc1 22a_100000106764_217856618621 [0,1,1,0,0,0|0,0,2]=4 399 B12R1.43 NC(=O)C(=O)Nc1ccccc1 22a_100000106764_100011215815 [0,1,1,0,0,0|0,0,0]=2 400 B12R1.43 NC(=O)C(F)Nc1ccccc1 34a_100000106764_100009813875 [0,1,1,0,0,0|1,0,1]=4 401 B12R1.43 O=C(Nc1ccccc1)C(F)F 11a_100000106764_100000210393 [0,1,1,0,0,0|1,0,1]=4 402 B12R1.43 O=C(Nc1ccccc1)C(F)F 1626a_100000106764_100000210393 [0,1,1,0,0,0|1,0,1]=4 403 B12R1.43 O=C(Nc1ccccc1)C(F)F 22a_100000106764_100000210393 [0,1,1,0,0,0|1,0,1]=4 404 B12R1.43 O=C(Nc1ccccc1)C(F)F 527a_100000106764_100000210393 [0,1,1,0,0,0|1,0,1]=4 405 B12R1.43 O=C(Nc1ccccc1)C(O)O 22a_100000106764_100000233687 [0,1,1,0,0,0|0,0,2]=4 406 B12R1.43 O=C([O-])C(F)Nc1ccccc1 34a_100000106764_100020610796 [0,1,1,0,0,0|1,0,1]=4 407 B12R1.43 [13CH3]C(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_200025704644 [0,1,1,0,0,0|2,0,0]=4 408 B12R1.43 [13CH3]C(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_200025704644 [0,1,1,0,0,0|2,0,0]=4 409 B12R1.43 [13CH3]C(=O)C(=O)Nc1ccccc1 1458a_100000738435_200025704644 [0,1,1,0,0,0|0,0,0]=2 410 B12R1.49 C=CC(=O)Cc1ccc(cc1)Br 1458a_100000185746_100000189115 [0,1,1,0,0,0|2,0,0]=4 411 B12R1.49 C=CC(=O)Cc1ccc(cc1)C 1458a_100000185746_100000210814 [0,1,1,0,0,0|2,0,0]=4 412 B12R1.49 C=CC(=O)Cc1ccc(cc1)Cl 1458a_100000185746_100000694040 [0,1,1,0,0,0|2,0,0]=4 413 B12R1.49 C=CC(=O)Cc1ccc(cc1)F 1458a_100000185746_100000198546 [0,1,1,0,0,0|2,0,0]=4 414 B12R1.49 C=CC(=O)Cc1ccc(cc1)I 1458a_100000185746_100000189116 [0,1,1,0,0,0|2,0,0]=4 415 B12R1.49 C=CC(=O)Nc1ccc(cc1)Br 1626a_100000210018_100000185746 [0,1,1,0,0,0|1,0,0]=3 416 B12R1.49 C=CC(=O)Nc1ccc(cc1)Br 22a_100000210018_100000185746 [0,1,1,0,0,0|1,0,0]=3 417 B12R1.49 C=CC(=O)Nc1ccc(cc1)C 1626a_100000124888_100000185746 [0,1,1,0,0,0|1,0,0]=3 418 B12R1.49 C=CC(=O)Nc1ccc(cc1)C 22a_100000124888_100000185746 [0,1,1,0,0,0|1,0,0]=3 419 B12R1.49 C=CC(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100000185746 [0,1,1,0,0,0|1,0,0]=3 420 B12R1.49 C=CC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000185746 [0,1,1,0,0,0|1,0,0]=3 421 B12R1.49 C=CC(=O)Nc1ccc(cc1)F 1626a_100000185862_100000185746 [0,1,1,0,0,0|1,0,0]=3 422 B12R1.49 C=CC(=O)Nc1ccc(cc1)F 22a_100000185862_100000185746 [0,1,1,0,0,0|1,0,0]=3 423 B12R1.49 C=CC(=O)Nc1ccc(cc1)I 1626a_100000185761_100000185746 [0,1,1,0,0,0|1,0,0]=3 424 B12R1.49 C=CC(=O)Nc1ccc(cc1)I 22a_100000185761_100000185746 [0,1,1,0,0,0|1,0,0]=3 425 B12R1.49 C=CC(=O)Nc1ccc(cc1)O 22a_100000185829_100000185746 [0,1,1,0,0,0|1,0,0]=3 426 B12R1.49 CCC(=O)Nc1ccc(cc1)Br 11a_100000210018_100000210414 [0,1,1,0,0,0|1,0,1]=4 427 B12R1.49 CCC(=O)Nc1ccc(cc1)Br 1626a_100000210018_100000210414 [0,1,1,0,0,0|1,0,1]=4 428 B12R1.49 CCC(=O)Nc1ccc(cc1)Br 22a_100000210018_100000210414 [0,1,1,0,0,0|1,0,1]=4 429 B12R1.49 CCC(=O)Nc1ccc(cc1)Br 527a_100000210018_100000210414 [0,1,1,0,0,0|1,0,1]=4 430 B12R1.49 CCC(=O)Nc1ccc(cc1)C 11a_100000124888_100000210414 [0,1,1,0,0,0|1,0,1]=4 431 B12R1.49 CCC(=O)Nc1ccc(cc1)C 1626a_100000124888_100000210414 [0,1,1,0,0,0|1,0,1]=4 432 B12R1.49 CCC(=O)Nc1ccc(cc1)C 22a_100000124888_100000210414 [0,1,1,0,0,0|1,0,1]=4 433 B12R1.49 CCC(=O)Nc1ccc(cc1)C 527a_100000124888_100000210414 [0,1,1,0,0,0|1,0,1]=4 434 B12R1.49 CCC(=O)Nc1ccc(cc1)Cl 11a_100000210052_100000210414 [0,1,1,0,0,0|1,0,1]=4 435 B12R1.49 CCC(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100000210414 [0,1,1,0,0,0|1,0,1]=4 436 B12R1.49 CCC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000210414 [0,1,1,0,0,0|1,0,1]=4 437 B12R1.49 CCC(=O)Nc1ccc(cc1)Cl 527a_100000210052_100000210414 [0,1,1,0,0,0|1,0,1]=4 438 B12R1.49 CCC(=O)Nc1ccc(cc1)F 11a_100000185862_100000210414 [0,1,1,0,0,0|1,0,1]=4 439 B12R1.49 CCC(=O)Nc1ccc(cc1)F 1626a_100000185862_100000210414 [0,1,1,0,0,0|1,0,1]=4 440 B12R1.49 CCC(=O)Nc1ccc(cc1)F 22a_100000185862_100000210414 [0,1,1,0,0,0|1,0,1]=4 441 B12R1.49 CCC(=O)Nc1ccc(cc1)F 527a_100000185862_100000210414 [0,1,1,0,0,0|1,0,1]=4 442 B12R1.49 CCC(=O)Nc1ccc(cc1)I 11a_100000185761_100000210414 [0,1,1,0,0,0|1,0,1]=4 443 B12R1.49 CCC(=O)Nc1ccc(cc1)I 1626a_100000185761_100000210414 [0,1,1,0,0,0|1,0,1]=4 444 B12R1.49 CCC(=O)Nc1ccc(cc1)I 22a_100000185761_100000210414 [0,1,1,0,0,0|1,0,1]=4 445 B12R1.49 CCC(=O)Nc1ccc(cc1)I 527a_100000185761_100000210414 [0,1,1,0,0,0|1,0,1]=4 446 B12R1.49 CCC(=O)Nc1ccc(cc1)O 22a_100000185829_100000210414 [0,1,1,0,0,0|1,0,1]=4 447 B12R1.49 CNC(=O)Nc1ccc(cc1)Br 2430a_100000210018_100102657272 [0,1,1,0,0,0|2,0,0]=4 448 B12R1.49 CNC(=O)Nc1ccc(cc1)C 2430a_100000124888_100102657272 [0,1,1,0,0,0|2,0,0]=4 449 B12R1.49 CNC(=O)Nc1ccc(cc1)Cl 2430a_100000210052_100102657272 [0,1,1,0,0,0|2,0,0]=4 450 B12R1.49 CNC(=O)Nc1ccc(cc1)F 2430a_100000185862_100102657272 [0,1,1,0,0,0|2,0,0]=4 451 B12R1.49 CNC(=O)Nc1ccc(cc1)I 2430a_100000185761_100102657272 [0,1,1,0,0,0|2,0,0]=4 452 B12R1.49 CNC(=O)Nc1ccc(cc1)O 2430a_100000185829_100102657272 [0,1,1,0,0,0|2,0,0]=4 453 B12R1.49 COC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000181880 [0,1,1,0,0,0|2,0,0]=4 454 B12R1.49 Cc1ccc(cc1)NC(=O)CO 22a_100000124888_100000210174 [0,1,1,0,0,0|0,0,2]=4 455 B12R1.49 Cc1ccc(cc1)NC(=O)CO 527a_100000124888_100000210174 [0,1,1,0,0,0|0,0,2]=4 456 B12R1.49 O=C(CO)Nc1ccc(cc1)Br 22a_100000210018_100000210174 [0,1,1,0,0,0|0,0,2]=4 457 B12R1.49 O=C(CO)Nc1ccc(cc1)Br 527a_100000210018_100000210174 [0,1,1,0,0,0|0,0,2]=4 458 B12R1.49 O=C(CO)Nc1ccc(cc1)Cl 22a_100000210052_100000210174 [0,1,1,0,0,0|0,0,2]=4 459 B12R1.49 O=C(CO)Nc1ccc(cc1)Cl 527a_100000210052_100000210174 [0,1,1,0,0,0|0,0,2]=4 460 B12R1.49 O=C(CO)Nc1ccc(cc1)F 22a_100000185862_100000210174 [0,1,1,0,0,0|0,0,2]=4 461 B12R1.49 O=C(CO)Nc1ccc(cc1)F 527a_100000185862_100000210174 [0,1,1,0,0,0|0,0,2]=4 462 B12R1.49 O=C(CO)Nc1ccc(cc1)I 22a_100000185761_100000210174 [0,1,1,0,0,0|0,0,2]=4 463 B12R1.49 O=C(CO)Nc1ccc(cc1)I 527a_100000185761_100000210174 [0,1,1,0,0,0|0,0,2]=4 464 B12R1.49 O=C(CO)Nc1ccc(cc1)O 22a_100000185829_100000210174 [0,1,1,0,0,0|0,0,2]=4 465 B12R1.50 C=CC(=O)Cc1cccc(c1)Br 1458a_100000185746_100000211773 [0,1,1,0,0,0|2,0,0]=4 466 B12R1.50 C=CC(=O)Cc1cccc(c1)C 1458a_100000185746_100000211840 [0,1,1,0,0,0|2,0,0]=4 467 B12R1.50 C=CC(=O)Cc1cccc(c1)Cl 1458a_100000185746_100000181238 [0,1,1,0,0,0|2,0,0]=4 468 B12R1.50 C=CC(=O)Cc1cccc(c1)F 1458a_100000185746_100000230114 [0,1,1,0,0,0|2,0,0]=4 469 B12R1.50 C=CC(=O)Cc1cccc(c1)I 1458a_100000185746_100011218688 [0,1,1,0,0,0|2,0,0]=4 470 B12R1.50 C=CC(=O)Cc1cccc(c1)O 1458a_100000185746_100011660834 [0,1,1,0,0,0|2,0,0]=4 471 B12R1.50 C=CC(=O)Nc1cccc(c1)Br 1626a_100000210019_100000185746 [0,1,1,0,0,0|1,0,0]=3 472 B12R1.50 C=CC(=O)Nc1cccc(c1)Br 22a_100000210019_100000185746 [0,1,1,0,0,0|1,0,0]=3 473 B12R1.50 C=CC(=O)Nc1cccc(c1)C 1626a_100000188690_100000185746 [0,1,1,0,0,0|1,0,0]=3 474 B12R1.50 C=CC(=O)Nc1cccc(c1)C 22a_100000188690_100000185746 [0,1,1,0,0,0|1,0,0]=3 475 B12R1.50 C=CC(=O)Nc1cccc(c1)Cl 1626a_100000185859_100000185746 [0,1,1,0,0,0|1,0,0]=3 476 B12R1.50 C=CC(=O)Nc1cccc(c1)Cl 22a_100000185859_100000185746 [0,1,1,0,0,0|1,0,0]=3 477 B12R1.50 C=CC(=O)Nc1cccc(c1)F 1626a_100000210047_100000185746 [0,1,1,0,0,0|1,0,0]=3 478 B12R1.50 C=CC(=O)Nc1cccc(c1)F 22a_100000210047_100000185746 [0,1,1,0,0,0|1,0,0]=3 479 B12R1.50 C=CC(=O)Nc1cccc(c1)I 1626a_100000211102_100000185746 [0,1,1,0,0,0|1,0,0]=3 480 B12R1.50 C=CC(=O)Nc1cccc(c1)I 22a_100000211102_100000185746 [0,1,1,0,0,0|1,0,0]=3 481 B12R1.50 C=CC(=O)Nc1cccc(c1)O 1626a_100000210217_100000185746 [0,1,1,0,0,0|1,0,0]=3 482 B12R1.50 C=CC(=O)Nc1cccc(c1)O 22a_100000210217_100000185746 [0,1,1,0,0,0|1,0,0]=3 483 B12R1.50 CCC(=O)Nc1cccc(c1)Br 11a_100000210019_100000210414 [0,1,1,0,0,0|1,0,1]=4 484 B12R1.50 CCC(=O)Nc1cccc(c1)Br 1626a_100000210019_100000210414 [0,1,1,0,0,0|1,0,1]=4 485 B12R1.50 CCC(=O)Nc1cccc(c1)Br 22a_100000210019_100000210414 [0,1,1,0,0,0|1,0,1]=4 486 B12R1.50 CCC(=O)Nc1cccc(c1)Br 527a_100000210019_100000210414 [0,1,1,0,0,0|1,0,1]=4 487 B12R1.50 CCC(=O)Nc1cccc(c1)C 11a_100000188690_100000210414 [0,1,1,0,0,0|1,0,1]=4 488 B12R1.50 CCC(=O)Nc1cccc(c1)C 1626a_100000188690_100000210414 [0,1,1,0,0,0|1,0,1]=4 489 B12R1.50 CCC(=O)Nc1cccc(c1)C 22a_100000188690_100000210414 [0,1,1,0,0,0|1,0,1]=4 490 B12R1.50 CCC(=O)Nc1cccc(c1)C 527a_100000188690_100000210414 [0,1,1,0,0,0|1,0,1]=4 491 B12R1.50 CCC(=O)Nc1cccc(c1)Cl 11a_100000185859_100000210414 [0,1,1,0,0,0|1,0,1]=4 492 B12R1.50 CCC(=O)Nc1cccc(c1)Cl 1626a_100000185859_100000210414 [0,1,1,0,0,0|1,0,1]=4 493 B12R1.50 CCC(=O)Nc1cccc(c1)Cl 22a_100000185859_100000210414 [0,1,1,0,0,0|1,0,1]=4 494 B12R1.50 CCC(=O)Nc1cccc(c1)F 11a_100000210047_100000210414 [0,1,1,0,0,0|1,0,1]=4 495 B12R1.50 CCC(=O)Nc1cccc(c1)F 1626a_100000210047_100000210414 [0,1,1,0,0,0|1,0,1]=4 496 B12R1.50 CCC(=O)Nc1cccc(c1)F 22a_100000210047_100000210414 [0,1,1,0,0,0|1,0,1]=4 497 B12R1.50 CCC(=O)Nc1cccc(c1)F 527a_100000210047_100000210414 [0,1,1,0,0,0|1,0,1]=4 498 B12R1.50 CCC(=O)Nc1cccc(c1)I 11a_100000211102_100000210414 [0,1,1,0,0,0|1,0,1]=4 499 B12R1.50 CCC(=O)Nc1cccc(c1)I 1626a_100000211102_100000210414 [0,1,1,0,0,0|1,0,1]=4 500 B12R1.50 CCC(=O)Nc1cccc(c1)I 22a_100000211102_100000210414 [0,1,1,0,0,0|1,0,1]=4 501 B12R1.50 CCC(=O)Nc1cccc(c1)I 527a_100000211102_100000210414 [0,1,1,0,0,0|1,0,1]=4 502 B12R1.50 CCC(=O)Nc1cccc(c1)O 1626a_100000210217_100000210414 [0,1,1,0,0,0|1,0,1]=4 503 B12R1.50 CCC(=O)Nc1cccc(c1)O 22a_100000210217_100000210414 [0,1,1,0,0,0|1,0,1]=4 504 B12R1.50 CCC(=O)Nc1cccc(c1)O 527a_100000210217_100000210414 [0,1,1,0,0,0|1,0,1]=4 505 B12R1.50 CNC(=O)Nc1cccc(c1)Br 2430a_100000210019_100102657272 [0,1,1,0,0,0|2,0,0]=4 506 B12R1.50 CNC(=O)Nc1cccc(c1)Br 512a_100000210019_100102657272 [0,1,1,0,0,0|2,0,0]=4 507 B12R1.50 CNC(=O)Nc1cccc(c1)C 2430a_100000188690_100102657272 [0,1,1,0,0,0|2,0,0]=4 508 B12R1.50 CNC(=O)Nc1cccc(c1)C 512a_100000188690_100102657272 [0,1,1,0,0,0|2,0,0]=4 509 B12R1.50 CNC(=O)Nc1cccc(c1)Cl 2430a_100000185859_100102657272 [0,1,1,0,0,0|2,0,0]=4 510 B12R1.50 CNC(=O)Nc1cccc(c1)F 2430a_100000210047_100102657272 [0,1,1,0,0,0|2,0,0]=4 511 B12R1.50 CNC(=O)Nc1cccc(c1)F 512a_100000210047_100102657272 [0,1,1,0,0,0|2,0,0]=4 512 B12R1.50 CNC(=O)Nc1cccc(c1)I 2430a_100000211102_100102657272 [0,1,1,0,0,0|2,0,0]=4 513 B12R1.50 CNC(=O)Nc1cccc(c1)I 512a_100000211102_100102657272 [0,1,1,0,0,0|2,0,0]=4 514 B12R1.50 CNC(=O)Nc1cccc(c1)O 2430a_100000210217_100102657272 [0,1,1,0,0,0|2,0,0]=4 515 B12R1.50 CNC(=O)Nc1cccc(c1)O 512a_100000210217_100102657272 [0,1,1,0,0,0|2,0,0]=4 516 B12R1.50 Cc1cccc(c1)NC(=O)CO 22a_100000188690_100000210174 [0,1,1,0,0,0|0,0,2]=4 517 B12R1.50 Cc1cccc(c1)NC(=O)CO 527a_100000188690_100000210174 [0,1,1,0,0,0|0,0,2]=4 518 B12R1.50 O=C(CO)Nc1cccc(c1)Br 22a_100000210019_100000210174 [0,1,1,0,0,0|0,0,2]=4 519 B12R1.50 O=C(CO)Nc1cccc(c1)Br 527a_100000210019_100000210174 [0,1,1,0,0,0|0,0,2]=4 520 B12R1.50 O=C(CO)Nc1cccc(c1)Cl 22a_100000185859_100000210174 [0,1,1,0,0,0|0,0,2]=4 521 B12R1.50 O=C(CO)Nc1cccc(c1)F 22a_100000210047_100000210174 [0,1,1,0,0,0|0,0,2]=4 522 B12R1.50 O=C(CO)Nc1cccc(c1)F 527a_100000210047_100000210174 [0,1,1,0,0,0|0,0,2]=4 523 B12R1.50 O=C(CO)Nc1cccc(c1)I 22a_100000211102_100000210174 [0,1,1,0,0,0|0,0,2]=4 524 B12R1.50 O=C(CO)Nc1cccc(c1)I 527a_100000211102_100000210174 [0,1,1,0,0,0|0,0,2]=4 525 B12R1.50 O=C(CO)Nc1cccc(c1)O 22a_100000210217_100000210174 [0,1,1,0,0,0|0,0,2]=4 526 B12R1.50 O=C(CO)Nc1cccc(c1)O 527a_100000210217_100000210174 [0,1,1,0,0,0|0,0,2]=4 527 B12R1.118 O=CC(C=O)Nc1ccccc1 34a_100000106764_100000736813 [0,1,1,0,0,0|0,0,1]=3 528 B12R1.118 O=CC(C=O)Oc1ccccc1 34a_100000210340_100000736813 [0,1,1,0,0,0|1,0,1]=4 529 B12R1.118 O=CC(C=O)Sc1ccccc1 62a_100000719477_100000736813 [0,1,1,0,0,0|1,0,1]=4 530 B12R1.118 O=CC(C=O)Sc1ccccc1 62a_100000736813_100000041952 [0,1,1,0,0,0|1,0,1]=4 531 B12R1.371 C=CC(=O)Cc1ccccc1Br 1458a_100000185746_100000184730 [0,1,1,0,0,0|2,0,0]=4 532 B12R1.371 C=CC(=O)Cc1ccccc1C 1458a_100000185746_100000211839 [0,1,1,0,0,0|2,0,0]=4 533 B12R1.371 C=CC(=O)Cc1ccccc1Cl 1458a_100000185746_100000187162 [0,1,1,0,0,0|2,0,0]=4 534 B12R1.371 C=CC(=O)Cc1ccccc1F 1458a_100000185746_100000187165 [0,1,1,0,0,0|2,0,0]=4 535 B12R1.371 C=CC(=O)Cc1ccccc1I 1458a_100000185746_100011216222 [0,1,1,0,0,0|2,0,0]=4 536 B12R1.371 C=CC(=O)Nc1ccccc1Br 1626a_100000210017_100000185746 [0,1,1,0,0,0|1,0,0]=3 537 B12R1.371 C=CC(=O)Nc1ccccc1C 1626a_100015192222_100000185746 [0,1,1,0,0,0|1,0,0]=3 538 B12R1.371 C=CC(=O)Nc1ccccc1C 22a_100015192222_100000185746 [0,1,1,0,0,0|1,0,0]=3 539 B12R1.371 C=CC(=O)Nc1ccccc1Cl 1626a_100000185783_100000185746 [0,1,1,0,0,0|1,0,0]=3 540 B12R1.371 C=CC(=O)Nc1ccccc1Cl 22a_100000185783_100000185746 [0,1,1,0,0,0|1,0,0]=3 541 B12R1.371 C=CC(=O)Nc1ccccc1F 1626a_100000210422_100000185746 [0,1,1,0,0,0|1,0,0]=3 542 B12R1.371 C=CC(=O)Nc1ccccc1F 22a_100000210422_100000185746 [0,1,1,0,0,0|1,0,0]=3 543 B12R1.371 C=CC(=O)Nc1ccccc1I 1626a_100000210053_100000185746 [0,1,1,0,0,0|1,0,0]=3 544 B12R1.371 C=CC(=O)Nc1ccccc1O 22a_100000185747_100000185746 [0,1,1,0,0,0|1,0,0]=3 545 B12R1.371 CCC(=O)Nc1ccccc1Br 11a_100000210017_100000210414 [0,1,1,0,0,0|1,0,1]=4 546 B12R1.371 CCC(=O)Nc1ccccc1Br 1626a_100000210017_100000210414 [0,1,1,0,0,0|1,0,1]=4 547 B12R1.371 CCC(=O)Nc1ccccc1C 11a_100015192222_100000210414 [0,1,1,0,0,0|1,0,1]=4 548 B12R1.371 CCC(=O)Nc1ccccc1C 1626a_100015192222_100000210414 [0,1,1,0,0,0|1,0,1]=4 549 B12R1.371 CCC(=O)Nc1ccccc1C 22a_100015192222_100000210414 [0,1,1,0,0,0|1,0,1]=4 550 B12R1.371 CCC(=O)Nc1ccccc1C 527a_100015192222_100000210414 [0,1,1,0,0,0|1,0,1]=4 551 B12R1.371 CCC(=O)Nc1ccccc1Cl 11a_100000185783_100000210414 [0,1,1,0,0,0|1,0,1]=4 552 B12R1.371 CCC(=O)Nc1ccccc1Cl 1626a_100000185783_100000210414 [0,1,1,0,0,0|1,0,1]=4 553 B12R1.371 CCC(=O)Nc1ccccc1Cl 22a_100000185783_100000210414 [0,1,1,0,0,0|1,0,1]=4 554 B12R1.371 CCC(=O)Nc1ccccc1Cl 527a_100000185783_100000210414 [0,1,1,0,0,0|1,0,1]=4 555 B12R1.371 CCC(=O)Nc1ccccc1F 11a_100000210422_100000210414 [0,1,1,0,0,0|1,0,1]=4 556 B12R1.371 CCC(=O)Nc1ccccc1F 1626a_100000210422_100000210414 [0,1,1,0,0,0|1,0,1]=4 557 B12R1.371 CCC(=O)Nc1ccccc1F 22a_100000210422_100000210414 [0,1,1,0,0,0|1,0,1]=4 558 B12R1.371 CCC(=O)Nc1ccccc1F 527a_100000210422_100000210414 [0,1,1,0,0,0|1,0,1]=4 559 B12R1.371 CCC(=O)Nc1ccccc1I 11a_100000210053_100000210414 [0,1,1,0,0,0|1,0,1]=4 560 B12R1.371 CCC(=O)Nc1ccccc1I 1626a_100000210053_100000210414 [0,1,1,0,0,0|1,0,1]=4 561 B12R1.371 CCC(=O)Nc1ccccc1O 22a_100000185747_100000210414 [0,1,1,0,0,0|1,0,1]=4 562 B12R1.371 CCC(=O)Nc1ccccc1O 271570a_203496583355_100000153536 [0,1,1,0,0,0|1,0,1]=4 563 B12R1.371 CCC(=O)Nc1ccccc1O 527a_100000185747_100000210414 [0,1,1,0,0,0|1,0,1]=4 564 B12R1.371 CNC(=O)Nc1ccccc1Br 2430a_100000210017_100102657272 [0,1,1,0,0,0|2,0,0]=4 565 B12R1.371 CNC(=O)Nc1ccccc1C 2430a_100015192222_100102657272 [0,1,1,0,0,0|2,0,0]=4 566 B12R1.371 CNC(=O)Nc1ccccc1Cl 2430a_100000185783_100102657272 [0,1,1,0,0,0|2,0,0]=4 567 B12R1.371 CNC(=O)Nc1ccccc1F 2430a_100000210422_100102657272 [0,1,1,0,0,0|2,0,0]=4 568 B12R1.371 CNC(=O)Nc1ccccc1I 2430a_100000210053_100102657272 [0,1,1,0,0,0|2,0,0]=4 569 B12R1.371 CNC(=O)Nc1ccccc1O 2430a_100000185747_100102657272 [0,1,1,0,0,0|2,0,0]=4 570 B12R1.371 COC(=O)Nc1ccccc1O 271570a_203496583355_100000216184 [0,1,1,0,0,0|2,0,0]=4 571 B12R1.371 Cc1ccccc1NC(=O)CO 22a_100015192222_100000210174 [0,1,1,0,0,0|0,0,2]=4 572 B12R1.371 Cc1ccccc1NC(=O)CO 527a_100015192222_100000210174 [0,1,1,0,0,0|0,0,2]=4 573 B12R1.371 O=C(CO)Nc1ccccc1Cl 22a_100000185783_100000210174 [0,1,1,0,0,0|0,0,2]=4 574 B12R1.371 O=C(CO)Nc1ccccc1Cl 527a_100000185783_100000210174 [0,1,1,0,0,0|0,0,2]=4 575 B12R1.371 O=C(CO)Nc1ccccc1F 22a_100000210422_100000210174 [0,1,1,0,0,0|0,0,2]=4 576 B12R1.371 O=C(CO)Nc1ccccc1F 527a_100000210422_100000210174 [0,1,1,0,0,0|0,0,2]=4 577 B12R1.371 O=C(CO)Nc1ccccc1O 22a_100000185747_100000210174 [0,1,1,0,0,0|0,0,2]=4 578 B12R1.371 O=C(CO)Nc1ccccc1O 527a_100000185747_100000210174 [0,1,1,0,0,0|0,0,2]=4 579 B12R1.75 C#Cc1ccccc1NC(=O)C 11a_100011470550_100015343762 [0,1,1,0,0,0|1,0,1]=4 580 B12R1.75 C#Cc1ccccc1NC(=O)C 1626a_100011470550_100015343762 [0,1,1,0,0,0|1,0,1]=4 581 B12R1.75 C#Cc1ccccc1NC(=O)C 22a_100011470550_100000070787 [0,1,1,0,0,0|1,0,1]=4 582 B12R1.75 C=Cc1ccccc1CC(=O)C 271570a_100011290941_100011350739 [0,1,1,0,0,0|2,0,0]=4 583 B12R1.75 C=Cc1ccccc1CC(=O)N 271570a_100011290941_200009814924 [0,1,1,0,0,0|2,0,0]=4 584 B12R1.75 C=Cc1ccccc1NC(=O)C 11a_100012022501_100015343762 [0,1,1,0,0,0|1,0,0]=3 585 B12R1.75 C=Cc1ccccc1NC(=O)C 1626a_100012022501_100015343762 [0,1,1,0,0,0|1,0,0]=3 586 B12R1.75 C=Cc1ccccc1NC(=O)C 22a_100012022501_100000070787 [0,1,1,0,0,0|1,0,0]=3 587 B12R1.75 C=Cc1ccccc1NC(=O)C 271570a_100011290941_100000153524 [0,1,1,0,0,0|1,0,0]=3 588 B12R1.75 C=Cc1ccccc1NC(=O)N 271570a_100011290941_100000742221 [0,1,1,0,0,0|1,0,0]=3 589 B12R1.75 C=Cc1ccccc1OC(=O)C 271570a_100011290941_100000051690 [0,1,1,0,0,0|2,0,0]=4 590 B12R1.75 C=Cc1cnccc1NC(=O)C 271570a_100011290941_100016132053 [0,1,1,0,0,0|2,0,0]=4 591 B12R1.75 CC(=Cc1ccccc1C=O)C 271570a_100102525489_100000211189 [0,1,1,0,0,0|2,0,0]=4 592 B12R1.75 CC(=O)Cc1ccccc1C=O 1458a_100000070787_200009853537 [0,1,1,0,0,0|1,0,0]=3 593 B12R1.75 CC(=O)Nc1ccccc1C#N 11a_100000211148_100015343762 [0,1,1,0,0,0|1,0,1]=4 594 B12R1.75 CC(=O)Nc1ccccc1C#N 1626a_100000211148_100015343762 [0,1,1,0,0,0|1,0,1]=4 595 B12R1.75 CC(=O)Nc1ccccc1CO 22a_100000212039_100000070787 [0,1,1,0,0,0|0,0,2]=4 596 B12R1.75 CC(=O)Nc1ccccc1N[13CH3] 34a_100011193560_200025704644 [0,1,1,0,0,0|2,0,0]=4 597 B12R1.75 CC(=O)Nc1ccccc1O[13CH3] 34a_100000185124_200025704644 [0,1,1,0,0,0|2,0,0]=4 598 B12R1.75 CC(=O)Nc1ccccc1O[13CH3] 7a_100000185124_200025704644 [0,1,1,0,0,0|2,0,0]=4 599 B12R1.75 CC(=O)Nc1ccccc1S[13CH3] 62a_200025704644_100000153524 [0,1,1,0,0,0|2,0,0]=4 600 B12R1.75 CCc1ccccc1NC(=O)C 11a_100000212081_100015343762 [0,1,1,0,0,0|1,0,1]=4 601 B12R1.75 CCc1ccccc1NC(=O)C 1626a_100000212081_100015343762 [0,1,1,0,0,0|1,0,1]=4 602 B12R1.75 CCc1ccccc1NC(=O)C 22a_100000212081_100000070787 [0,1,1,0,0,0|1,0,1]=4 603 B12R1.75 CCc1ccccc1NC(=O)C 527a_100000212081_100103153847 [0,1,1,0,0,0|1,0,1]=4 604 B12R1.75 CNc1ccccc1NC(=O)C 34a_100011193560_200000210301 [0,1,1,0,0,0|2,0,0]=4 605 B12R1.75 COc1ccccc1NC(=O)C 11a_100000210025_100015343762 [0,1,1,0,0,0|2,0,0]=4 606 B12R1.75 COc1ccccc1NC(=O)C 1626a_100000210025_100015343762 [0,1,1,0,0,0|2,0,0]=4 607 B12R1.75 COc1ccccc1NC(=O)C 22a_100000210025_100000070787 [0,1,1,0,0,0|2,0,0]=4 608 B12R1.75 COc1ccccc1NC(=O)C 34a_100000185124_200000210301 [0,1,1,0,0,0|2,0,0]=4 609 B12R1.75 COc1ccccc1NC(=O)C 527a_100000210025_100103153847 [0,1,1,0,0,0|2,0,0]=4 610 B12R1.75 COc1ccccc1NC(=O)C 7a_100000185124_200000210301 [0,1,1,0,0,0|2,0,0]=4 611 B12R1.75 CSc1ccccc1NC(=O)C 11a_100000211160_100015343762 [0,1,1,0,0,0|2,0,0]=4 612 B12R1.75 CSc1ccccc1NC(=O)C 22a_100000211160_100000070787 [0,1,1,0,0,0|2,0,0]=4 613 B12R1.75 CSc1ccccc1NC(=O)C 62a_200000210301_100000153524 [0,1,1,0,0,0|2,0,0]=4 614 B12R1.75 CSc1ccccc1NC(=O)N 62a_200000210301_100000742221 [0,1,1,0,0,0|2,0,0]=4 615 B12R1.75 [13CH3]Sc1ccccc1NC(=O)N 62a_200025704644_100000742221 [0,1,1,0,0,0|2,0,0]=4 616 B12R1.112 CC=Cc1ccc(cc1C=O)Br 271570a_100016259895_100010185651 [0,1,1,0,0,0|2,0,0]=4 617 B12R1.112 CC=Cc1ccc(cc1C=O)C 271570a_100016259895_100011551863 [0,1,1,0,0,0|2,0,0]=4 618 B12R1.112 CC=Cc1ccc(cc1C=O)Cl 271570a_100016259895_100010254386 [0,1,1,0,0,0|2,0,0]=4 619 B12R1.112 CC=Cc1ccc(cc1C=O)F 271570a_100016259895_100011218309 [0,1,1,0,0,0|2,0,0]=4 620 B12R1.112 CC=Cc1ccc(cc1C=O)O 271570a_100016259895_100000690577 [0,1,1,0,0,0|2,0,0]=4 621 B12R1.121 C#Cc1ccccc1NCC=O 34a_100011470550_200009817547 [0,1,1,0,0,0|1,0,1]=4 622 B12R1.121 C=CCNc1ccccc1C=C 34a_100012022501_100015514636 [0,1,1,0,0,0|2,0,0]=4 623 B12R1.121 C=CCSc1ccccc1C=O 62a_100000210073_100000210623 [0,1,1,0,0,0|2,0,0]=4 624 B12R1.121 C=CCSc1ccccc1C=O 62a_100000210623_100000210073 [0,1,1,0,0,0|2,0,0]=4 625 B12R1.121 C=Cc1ccccc1CCC=O 271570a_100011290941_100011713448 [0,1,1,0,0,0|2,0,0]=4 626 B12R1.121 C=Cc1ccccc1NCC=O 34a_100012022501_200009817547 [0,1,1,0,0,0|1,0,0]=3 627 B12R1.121 C=Cc1ccccc1SCC=O 62a_100011218376_200015260668 [0,1,1,0,0,0|2,0,0]=4 628 B12R1.121 C=Cc1ccccc1SCC=O 62a_200015260668_100011218376 [0,1,1,0,0,0|2,0,0]=4 629 B12R1.121 CCNCc1ccccc1C=O 2230a_100015525214_200009853537 [0,1,1,0,0,0|1,0,1]=4 630 B12R1.121 CCc1ccccc1NCC=O 2230a_100000212081_200015260668 [0,1,1,0,0,0|1,0,1]=4 631 B12R1.121 CCc1ccccc1NCC=O 34a_100000212081_200009817547 [0,1,1,0,0,0|1,0,1]=4 632 B12R1.121 CCc1ccccc1NCC=O 7a_100000212081_200015260668 [0,1,1,0,0,0|1,0,1]=4 633 B12R1.121 COc1ccccc1NCC=O 34a_100000210025_200009817547 [0,1,1,0,0,0|2,0,0]=4 634 B12R1.121 CSc1ccccc1NCC=O 34a_100000211160_200009817547 [0,1,1,0,0,0|2,0,0]=4 635 B12R1.121 N#Cc1ccccc1NCC=O 34a_100000211148_200009817547 [0,1,1,0,0,0|1,0,1]=4 636 B12R1.121 O=CCNc1ccccc1CO 34a_100000212039_200009817547 [0,1,1,0,0,0|0,0,2]=4 637 B12R1.121 O=CCSc1ccccc1C=O 62a_100000210073_200015260668 [0,1,1,0,0,0|1,0,0]=3 638 B12R1.121 O=CCSc1ccccc1C=O 62a_200015260668_100000210073 [0,1,1,0,0,0|1,0,0]=3 639 B12R1.121 O=CCSc1cccnc1C=O 62a_100011934733_200015260668 [0,1,1,0,0,0|2,0,0]=4 640 B12R1.121 O=CCSc1cccnc1C=O 62a_200015260668_100011934733 [0,1,1,0,0,0|2,0,0]=4 641 B12R1.121 O=CCSc1ccncc1C=O 62a_100000050567_200015260668 [0,1,1,0,0,0|2,0,0]=4 642 B12R1.121 O=CCSc1ccncc1C=O 62a_200015260668_100000050567 [0,1,1,0,0,0|2,0,0]=4 643 B12R1.121 O=CCSc1cnccc1C=O 62a_100011934409_200015260668 [0,1,1,0,0,0|2,0,0]=4 644 B12R1.121 O=CCSc1cnccc1C=O 62a_200015260668_100011934409 [0,1,1,0,0,0|2,0,0]=4 645 B12R1.121 O=CCSc1ncccc1C=O 62a_100009816751_200015260668 [0,1,1,0,0,0|2,0,0]=4 646 B12R1.121 O=CCSc1ncccc1C=O 62a_200015260668_100009816751 [0,1,1,0,0,0|2,0,0]=4 647 B12R1.169 CCSc1ccccc1NC=O 62a_100000210202_200020615051 [0,1,1,0,0,0|1,0,1]=4 648 B12R1.169 CCSc1ccccc1NC=O 62a_200020615051_100000210202 [0,1,1,0,0,0|1,0,1]=4 649 B12R1.169 O=CNc1ccccc1SCF 62a_100015361967_200020615051 [0,1,1,0,0,0|1,0,1]=4 650 B12R1.169 O=CNc1ccccc1SCF 62a_200020615051_100015361967 [0,1,1,0,0,0|1,0,1]=4 651 B12R1.268 CC=Cc1cc(ccc1C=O)Br 271570a_100016259895_100010146562 [0,1,1,0,0,0|2,0,0]=4 652 B12R1.268 CC=Cc1cc(ccc1C=O)C 271570a_100016259895_100000692596 [0,1,1,0,0,0|2,0,0]=4 653 B12R1.268 CC=Cc1cc(ccc1C=O)F 271570a_100016259895_100000752949 [0,1,1,0,0,0|2,0,0]=4 654 B12R1.268 CC=Cc1cc(ccc1C=O)O 271570a_100016259895_100011236494 [0,1,1,0,0,0|2,0,0]=4 655 B12R1.283 CC=Cc1ccccc1C(=O)C 271570a_100016259895_100000751169 [0,1,1,0,0,0|2,0,0]=4 656 B12R1.283 CC=Cc1ccccc1C(=O)N 271570a_100016259895_100000162227 [0,1,1,0,0,0|2,0,0]=4 657 B12R1.283 CCNc1ccccc1C(=O)N 34a_100000185089_100000210202 [0,1,1,0,0,0|1,0,1]=4 658 B12R1.283 NC(=O)c1ccccc1NCF 34a_100000185089_100015361967 [0,1,1,0,0,0|1,0,1]=4 659 B12R1.542 CC=Cc1cccc(c1C=O)C 271570a_100016259895_100000041122 [0,1,1,0,0,0|2,0,0]=4 660 B12R1.542 CC=Cc1cccc(c1C=O)Cl 271570a_100016259895_100010147682 [0,1,1,0,0,0|2,0,0]=4 661 B12R1.542 CC=Cc1cccc(c1C=O)F 271570a_100016259895_100000210083 [0,1,1,0,0,0|2,0,0]=4 662 B12R1.542 CC=Cc1cccc(c1C=O)N 271570a_100016259895_100010232536 [0,1,1,0,0,0|2,0,0]=4 663 B12R1.542 CC=Cc1cccc(c1C=O)O 271570a_100016259895_100009814793 [0,1,1,0,0,0|2,0,0]=4 664 B12R1.1112 CC=Cc1c(cccc1C=O)F 271570a_100016259895_100011998484 [0,1,1,0,0,0|2,0,0]=4 665 B12R1.1112 CC=Cc1c(cccc1C=O)O 271570a_100016259895_100009816417 [0,1,1,0,0,0|2,0,0]=4 666 B12R1.24 COC(=O)c1cccc(c1N)O 271570a_203496583355_100011356556 [0,1,1,0,0,0|2,0,0]=4 667 B12R1.308 C=CCC(=O)c1ccccc1Br 1458a_100000188424_100000210623 [0,1,1,0,0,0|2,0,0]=4 668 B12R1.308 C=CCC(=O)c1ccccc1C 1458a_100000212026_100000210623 [0,1,1,0,0,0|2,0,0]=4 669 B12R1.308 C=CCC(=O)c1ccccc1Cl 1458a_100000185844_100000210623 [0,1,1,0,0,0|2,0,0]=4 670 B12R1.308 C=CCC(=O)c1ccccc1F 1458a_100000188656_100000210623 [0,1,1,0,0,0|2,0,0]=4 671 B12R1.308 C=CCC(=O)c1ccccc1I 1458a_100000187884_100000210623 [0,1,1,0,0,0|2,0,0]=4 672 B12R1.308 C=CCC(=O)c1ccccc1O 1458a_100015234032_100000210623 [0,1,1,0,0,0|2,0,0]=4 673 B12R1.308 C=CCC(=O)c1ccccc1[O-] 1458a_100009911694_100000210623 [0,1,1,0,0,0|2,0,0]=4 674 B12R1.354 CNC(=O)c1cc(ccc1N)O 271570a_203496583355_100000690504 [0,1,1,0,0,0|2,0,0]=4 675 B12R1.354 COC(=O)c1cc(ccc1N)O 271570a_203496583355_100000212070 [0,1,1,0,0,0|2,0,0]=4 676 B12R1.1703 COC(=O)c1ccc(cc1N)O 271570a_203496583355_100011373473 [0,1,1,0,0,0|2,0,0]=4 677 B12R1.3441 COC(=O)c1c(cccc1O)N 271570a_203496583355_100010253892 [0,1,1,0,0,0|2,0,0]=4 678 B12R2.1 C=Cc1c[nH]c2c1cccn2 271570a_100011290941_100011934613 [1,1,0,0,0,0|2,0,0]=4 679 B12R2.1 C=Cc1c[nH]c2c1ccnc2 271570a_100011290941_100010232032 [1,1,0,0,0,0|2,0,0]=4 680 B12R2.1 C=Cc1c[nH]c2c1cncc2 271570a_100011290941_100011934843 [1,1,0,0,0,0|2,0,0]=4 681 B12R2.1 C=Cc1c[nH]c2c1nccc2 271570a_100011290941_100009817151 [1,1,0,0,0,0|2,0,0]=4 682 B12R2.1 C=Cc1coc2c1cccc2 271570a_100011290941_100009812202 [1,1,0,0,0,0|2,0,0]=4 683 B12R2.1 C=Cc1csc2c1cccc2 271570a_100011290941_100009813928 [1,1,0,0,0,0|2,0,0]=4 684 B12R2.1 C=Cc1n[nH]c2c1cccc2 271570a_100011290941_100000050141 [1,1,0,0,0,0|2,0,0]=4 685 B12R2.1 COc1csc2c1cccc2 34a_100000077758_200000210301 [1,1,0,0,0,0|1,0,1]=4 686 B12R2.1 COc1csc2c1cccc2 7a_100000077758_200000210301 [1,1,0,0,0,0|1,0,1]=4 687 B12R2.1 CSc1c[nH]c2c1cccn2 62a_200000210301_100011934613 [1,1,0,0,0,0|1,1,0]=4 688 B12R2.1 CSc1c[nH]c2c1ccnc2 62a_200000210301_100010232032 [1,1,0,0,0,0|1,1,0]=4 689 B12R2.1 CSc1c[nH]c2c1cncc2 62a_200000210301_100000753697 [1,1,0,0,0,0|1,1,0]=4 690 B12R2.1 CSc1c[nH]c2c1nccc2 62a_200000210301_100009817151 [1,1,0,0,0,0|1,1,0]=4 691 B12R2.1 CSc1coc2c1cccc2 62a_200000210301_100009812202 [1,1,0,0,0,0|1,1,0]=4 692 B12R2.1 CSc1csc2c1cccc2 62a_200000210301_100009813928 [1,1,0,0,0,0|1,1,0]=4 693 B12R2.1 CSc1n[nH]c2c1cccc2 62a_200000210301_100000050141 [1,1,0,0,0,0|1,1,0]=4 694 B12R2.1 [13CH3]Oc1csc2c1cccc2 34a_100000077758_200025704644 [1,1,0,0,0,0|1,0,1]=4 695 B12R2.1 [13CH3]Oc1csc2c1cccc2 7a_100000077758_200025704644 [1,1,0,0,0,0|1,0,1]=4 696 B12R2.1 [13CH3]Sc1c[nH]c2c1cccn2 62a_200025704644_100011934613 [1,1,0,0,0,0|1,1,0]=4 697 B12R2.1 [13CH3]Sc1c[nH]c2c1ccnc2 62a_200025704644_100010232032 [1,1,0,0,0,0|1,1,0]=4 698 B12R2.1 [13CH3]Sc1c[nH]c2c1cncc2 62a_200025704644_100000753697 [1,1,0,0,0,0|1,1,0]=4 699 B12R2.1 [13CH3]Sc1c[nH]c2c1nccc2 62a_200025704644_100009817151 [1,1,0,0,0,0|1,1,0]=4 700 B12R2.1 [13CH3]Sc1coc2c1cccc2 62a_200025704644_100009812202 [1,1,0,0,0,0|1,1,0]=4 701 B12R2.1 [13CH3]Sc1csc2c1cccc2 62a_200025704644_100009813928 [1,1,0,0,0,0|1,1,0]=4 702 B12R2.1 [13CH3]Sc1n[nH]c2c1cccc2 62a_200025704644_100000050141 [1,1,0,0,0,0|1,1,0]=4 703 B12R2.132 Cc1c[nH]c2c1cc(cc2)O 271570a_203496583355_100009816687 [1,1,0,0,0,0|1,0,0]=3 704 B12R2.132 Cc1c[nH]c2c1cc(cn2)O 271570a_203496583355_100010202333 [1,1,0,0,0,0|2,0,0]=4 705 B12R2.132 Cc1ccc2[nH]nc(c2c1)O 271570a_203496583355_100000123028 [1,1,0,0,0,0|1,0,1]=4 706 B12R2.132 Cc1cnc2[nH]cc(c2c1)O 271570a_203496583355_100010246215 [1,1,0,0,0,0|1,0,1]=4 707 B12R2.132 Cc1coc2c1cc(cc2)O 271570a_203496583355_100000728893 [1,1,0,0,0,0|2,0,0]=4 708 B12R2.132 Cc1csc2c1cc(cc2)O 271570a_203496583355_100009814196 [1,1,0,0,0,0|2,0,0]=4 709 B12R2.132 Cc1n[nH]c2c1cc(cc2)O 271570a_203496583355_100102524909 [1,1,0,0,0,0|2,0,0]=4 710 B12R2.132 Nc1c[nH]c2c1cc(cn2)O 271570a_203496583355_100010174843 [1,1,0,0,0,0|2,0,0]=4 711 B12R2.132 Nc1ccc2[nH]nc(c2c1)O 271570a_203496583355_100012353729 [1,1,0,0,0,0|1,0,1]=4 712 B12R2.132 Nc1ccc2scc(c2c1)O 271570a_203496583355_100011178648 [1,1,0,0,0,0|1,0,1]=4 713 B12R2.132 Nc1n[nH]c2c1cc(cc2)O 271570a_203496583355_100011934329 [1,1,0,0,0,0|2,0,0]=4 714 B12R2.132 O=C1CCc2c1cc(cc2)O 271570a_203496583355_100000759401 [1,1,0,0,0,0|1,0,1]=4 715 B12R2.132 O=C1COc2c1cc(cc2)O 271570a_203496583355_100000752586 [1,1,0,0,0,0|1,0,1]=4 716 B12R2.132 O=C1NCc2c1cc(cc2)O 271570a_203496583355_100010171230 [1,1,0,0,0,0|2,0,0]=4 717 B12R2.132 O=C1OCc2c1cc(cc2)O 271570a_203496583355_100000693025 [1,1,0,0,0,0|2,0,0]=4 718 B12R2.132 O=c1[nH][nH]c2c1cc(cc2)O 271570a_203496583355_100012353726 [1,1,0,0,0,0|1,0,0]=3 719 B12R2.132 O=c1[nH]oc2c1cc(cc2)O 271570a_203496583355_100000732257 [1,1,0,0,0,0|2,0,0]=4 720 B12R2.132 Oc1c[nH]c2c1cc(cn2)F 271570a_203496583355_100010168383 [1,1,0,0,0,0|1,0,1]=4 721 B12R2.132 Oc1ccc2[nH]nc(c2c1)Br 271570a_203496583355_200012353728 [1,1,0,0,0,0|2,0,0]=4 722 B12R2.132 Oc1n[nH]c2c1cc(cc2)Br 271570a_203496583355_100010186058 [1,1,0,0,0,0|1,0,1]=4 723 B12R2.132 Oc1n[nH]c2c1cc(cc2)Cl 271570a_203496583355_100010174404 [1,1,0,0,0,0|1,0,1]=4 724 B12R2.132 Oc1n[nH]c2c1cc(cc2)F 271570a_203496583355_100011934747 [1,1,0,0,0,0|1,0,1]=4 725 B12R2.196 Cc1c[nH]c2c1cccc2O 271570a_203496583355_100010186758 [1,1,0,0,0,0|1,0,0]=3 726 B12R2.196 Cc1cccc2c1[nH]nc2O 271570a_203496583355_100010186057 [1,1,0,0,0,0|1,0,1]=4 727 B12R2.196 Cc1n[nH]c2c1cccc2O 271570a_203496583355_100010255084 [1,1,0,0,0,0|2,0,0]=4 728 B12R2.196 Nc1cccc2c1[nH]nc2O 271570a_203496583355_100009888981 [1,1,0,0,0,0|1,0,1]=4 729 B12R2.196 Nc1n[nH]c2c1cccc2O 271570a_203496583355_100010069757 [1,1,0,0,0,0|2,0,0]=4 730 B12R2.196 O=C1CCc2c1cccc2O 271570a_203496583355_100000744605 [1,1,0,0,0,0|1,0,1]=4 731 B12R2.196 O=C1COc2c1cccc2O 271570a_203496583355_100011230590 [1,1,0,0,0,0|1,0,1]=4 732 B12R2.196 O=C1NCc2c1cccc2O 271570a_203496583355_100000688282 [1,1,0,0,0,0|2,0,0]=4 733 B12R2.196 O=C1OCc2c1cccc2O 271570a_203496583355_100010167076 [1,1,0,0,0,0|2,0,0]=4 734 B12R2.196 O=c1[nH][nH]c2c1cccc2O 271570a_203496583355_100012199144 [1,1,0,0,0,0|1,0,0]=3 735 B12R2.196 Oc1n[nH]c2c1cccc2Br 271570a_203496583355_100010197283 [1,1,0,0,0,0|1,0,1]=4 736 B12R2.196 Oc1n[nH]c2c1cccc2Cl 271570a_203496583355_100000050086 [1,1,0,0,0,0|1,0,1]=4 737 B12R2.196 Oc1n[nH]c2c1cccc2F 271570a_203496583355_100010231504 [1,1,0,0,0,0|1,0,1]=4 738 B12R2.196 Oc1n[nH]c2c1cccc2O 271570a_203496583355_200010988877 [1,1,0,0,0,0|1,0,1]=4 739 B12R2.203 Cc1c[nH]c2c1c(ccc2)O 271570a_203496583355_100010194227 [1,1,0,0,0,0|1,0,0]=3 740 B12R2.203 Cc1c[nH]c2c1c(ccn2)O 271570a_203496583355_100009849662 [1,1,0,0,0,0|2,0,0]=4 741 B12R2.203 Cc1cccc2c1c(n[nH]2)O 271570a_203496583355_100000049903 [1,1,0,0,0,0|1,0,1]=4 742 B12R2.203 Cc1n[nH]c2c1c(ccc2)O 271570a_203496583355_100010205804 [1,1,0,0,0,0|2,0,0]=4 743 B12R2.203 Nc1c[nH]c2c1c(ccn2)O 271570a_203496583355_100010212589 [1,1,0,0,0,0|2,0,0]=4 744 B12R2.203 Nc1cccc2c1c(n[nH]2)O 271570a_203496583355_100010186038 [1,1,0,0,0,0|1,0,1]=4 745 B12R2.203 Nc1n[nH]c2c1c(ccc2)O 271570a_203496583355_100000049960 [1,1,0,0,0,0|2,0,0]=4 746 B12R2.203 O=C1CCc2c1c(ccc2)O 271570a_203496583355_100009816781 [1,1,0,0,0,0|1,0,1]=4 747 B12R2.203 O=C1COc2c1c(ccc2)O 271570a_203496583355_100010205902 [1,1,0,0,0,0|1,0,1]=4 748 B12R2.203 O=C1NCc2c1c(ccc2)O 271570a_203496583355_100000724024 [1,1,0,0,0,0|2,0,0]=4 749 B12R2.203 O=C1OCc2c1c(ccc2)O 271570a_203496583355_100010132333 [1,1,0,0,0,0|2,0,0]=4 750 B12R2.203 O=c1[nH][nH]c2c1c(ccc2)O 271570a_203496583355_100010170957 [1,1,0,0,0,0|1,0,0]=3 751 B12R2.203 Oc1c[nH]c2c1c(ccn2)Br 271570a_203496583355_100010212587 [1,1,0,0,0,0|1,0,1]=4 752 B12R2.203 Oc1c[nH]c2c1c(ccn2)F 271570a_203496583355_100010168365 [1,1,0,0,0,0|1,0,1]=4 753 B12R2.203 Oc1c[nH]c2c1c(ncc2)O 271570a_203496583355_100010168626 [1,1,0,0,0,0|1,0,1]=4 754 B12R2.203 Oc1n[nH]c2c1c(ccc2)Br 271570a_203496583355_100010186043 [1,1,0,0,0,0|1,0,1]=4 755 B12R2.203 Oc1n[nH]c2c1c(ccc2)Cl 271570a_203496583355_100000049730 [1,1,0,0,0,0|1,0,1]=4 756 B12R2.203 Oc1n[nH]c2c1c(ccc2)F 271570a_203496583355_100000049989 [1,1,0,0,0,0|1,0,1]=4 757 B12R2.612 Cc1c[nH]c2c1ccc(c2)O 271570a_203496583355_100010209589 [1,1,0,0,0,0|1,0,0]=3 758 B12R2.612 Cc1ccc2c(n[nH]c2c1)O 271570a_203496583355_100000049534 [1,1,0,0,0,0|1,0,1]=4 759 B12R2.612 Cc1coc2c1ccc(c2)O 271570a_203496583355_100010775837 [1,1,0,0,0,0|2,0,0]=4 760 B12R2.612 Cc1n[nH]c2c1ccc(c2)O 271570a_203496583355_100009816850 [1,1,0,0,0,0|2,0,0]=4 761 B12R2.612 Nc1ccc2c(n[nH]c2c1)O 271570a_203496583355_100009816878 [1,1,0,0,0,0|1,0,1]=4 762 B12R2.612 Nc1n[nH]c2c1ccc(c2)O 271570a_203496583355_100011934401 [1,1,0,0,0,0|2,0,0]=4 763 B12R2.612 O=C1C=Cc2c1ccc(c2)O 271570a_203496583355_100010210589 [1,1,0,0,0,0|1,0,0]=3 764 B12R2.612 O=C1CCc2c1ccc(c2)O 271570a_203496583355_100000737041 [1,1,0,0,0,0|1,0,1]=4 765 B12R2.612 O=C1COc2c1ccc(c2)O 271570a_203496583355_100000686717 [1,1,0,0,0,0|1,0,1]=4 766 B12R2.612 O=C1NCc2c1ccc(c2)O 271570a_203496583355_100000692135 [1,1,0,0,0,0|2,0,0]=4 767 B12R2.612 O=C1OCc2c1ccc(c2)O 271570a_203496583355_100009816608 [1,1,0,0,0,0|2,0,0]=4 768 B12R2.612 O=c1[nH][nH]c2c1ccc(c2)O 271570a_203496583355_100012353722 [1,1,0,0,0,0|1,0,0]=3 769 B12R2.612 O=c1[nH][nH]c2c1cnc(c2)O 271570a_203496583355_100016039622 [1,1,0,0,0,0|2,0,0]=4 770 B12R2.612 Oc1n[nH]c2c1ccc(c2)Br 271570a_203496583355_100010186045 [1,1,0,0,0,0|1,0,1]=4 771 B12R2.612 Oc1n[nH]c2c1ccc(c2)Cl 271570a_203496583355_100000049627 [1,1,0,0,0,0|1,0,1]=4 772 B12R2.612 Oc1n[nH]c2c1ccc(c2)F 271570a_203496583355_100000049990 [1,1,0,0,0,0|1,0,1]=4 773 B12R2.2028 Cn1cc(c2c1nccc2)O 271570a_203496583355_100010205794 [1,1,0,0,0,0|1,0,1]=4 774 B12R2.2028 Cn1nc(c2c1cccc2)O 271570a_203496583355_100009817141 [1,1,0,0,0,0|1,0,1]=4 775 B12R2.32 C=Cc1cc2ccccc2[nH]1 271570a_100011290941_100010232065 [1,1,0,0,0,0|1,0,0]=3 776 B12R2.32 C=Cc1cc2ccccc2o1 271570a_100011290941_100010159458 [1,1,0,0,0,0|2,0,0]=4 777 B12R2.32 C=Cc1cc2ccccc2s1 271570a_100011290941_100009816949 [1,1,0,0,0,0|2,0,0]=4 778 B12R2.32 C=Cc1cc2cccnc2[nH]1 271570a_100011290941_100010079843 [1,1,0,0,0,0|2,0,0]=4 779 B12R2.32 C=Cc1nc2ccccc2[nH]1 271570a_100011290941_100009814255 [1,1,0,0,0,0|2,0,0]=4 780 B12R2.32 CNc1nc2ccccc2[nH]1 27a_100102657272_100009814255 [1,1,0,0,0,0|2,0,0]=4 781 B12R2.32 CSc1cc2ccccc2[nH]1 62a_200000210301_100010232065 [1,1,0,0,0,0|0,1,0]=3 782 B12R2.32 CSc1cc2ccccc2o1 62a_200000210301_100010159458 [1,1,0,0,0,0|1,1,0]=4 783 B12R2.32 CSc1cc2ccccc2s1 62a_200000210301_100009816949 [1,1,0,0,0,0|1,1,0]=4 784 B12R2.32 CSc1cc2cccnc2[nH]1 62a_200000210301_100010079843 [1,1,0,0,0,0|1,1,0]=4 785 B12R2.32 CSc1nc2ccccc2[nH]1 62a_200000210301_100009814255 [1,1,0,0,0,0|1,1,0]=4 786 B12R2.32 [13CH3]Sc1cc2ccccc2[nH]1 62a_200025704644_100010232065 [1,1,0,0,0,0|0,1,0]=3 787 B12R2.32 [13CH3]Sc1cc2ccccc2o1 62a_200025704644_100010159458 [1,1,0,0,0,0|1,1,0]=4 788 B12R2.32 [13CH3]Sc1cc2ccccc2s1 62a_200025704644_100009816949 [1,1,0,0,0,0|1,1,0]=4 789 B12R2.32 [13CH3]Sc1cc2cccnc2[nH]1 62a_200025704644_100010079843 [1,1,0,0,0,0|1,1,0]=4 790 B12R2.32 [13CH3]Sc1nc2ccccc2[nH]1 62a_200025704644_100009814255 [1,1,0,0,0,0|1,1,0]=4 791 B12R2.202 CC1=Cc2cccc(c2C1)O 271570a_203496583355_100010271545 [1,1,0,0,0,0|2,0,0]=4 792 B12R2.202 Cc1cc2c(cccc2[nH]1)O 271570a_203496583355_100010143266 [1,1,0,0,0,0|1,0,0]=3 793 B12R2.202 Cc1cc2c(ccnc2[nH]1)O 271570a_203496583355_100010202352 [1,1,0,0,0,0|2,0,0]=4 794 B12R2.202 Cc1nc2c(cccc2[nH]1)O 271570a_203496583355_100012360556 [1,1,0,0,0,0|2,0,0]=4 795 B12R2.202 Nc1cc2cccc(c2s1)O 271570a_203496583355_100010090802 [1,1,0,0,0,0|2,0,0]=4 796 B12R2.202 Nc1nc2c(cccc2[nH]1)O 271570a_203496583355_100012356985 [1,1,0,0,0,0|2,0,0]=4 797 B12R2.202 O=C1Cc2c(cccc2N1)O 271570a_203496583355_100009816812 [1,1,0,0,0,0|0,0,1]=3 798 B12R2.202 O=C1Cc2c(ccnc2N1)O 271570a_203496583355_100000104061 [1,1,0,0,0,0|1,0,1]=4 799 B12R2.202 O=C1Cc2cccc(c2C1)O 271570a_203496583355_100010205903 [1,1,0,0,0,0|1,0,1]=4 800 B12R2.202 O=C1Cc2cccc(c2N1)O 271570a_203496583355_100000767046 [1,1,0,0,0,0|0,0,1]=3 801 B12R2.202 O=c1[nH]c2cccc(c2o1)O 271570a_203496583355_100012360093 [1,1,0,0,0,0|1,0,0]=3 802 B12R2.202 O=c1[nH]c2nccc(c2[nH]1)O 271570a_203496583355_100009840862 [1,1,0,0,0,0|2,0,0]=4 803 B12R2.202 Oc1cc2c(ccnc2[nH]1)Cl 271570a_203496583355_100010234028 [1,1,0,0,0,0|1,0,1]=4 804 B12R2.202 Oc1cc2cccc(c2[nH]1)Br 271570a_203496583355_100135389745 [1,1,0,0,0,0|0,0,1]=3 805 B12R2.202 Oc1nc2c(cccc2[nH]1)O 271570a_203496583355_100012347640 [1,1,0,0,0,0|1,0,1]=4 806 B12R2.606 Cc1cc2cc(ccc2[nH]1)O 271570a_203496583355_100011214893 [1,1,0,0,0,0|1,0,0]=3 807 B12R2.606 Cc1cc2cc(ccc2s1)O 271570a_203496583355_100000695401 [1,1,0,0,0,0|2,0,0]=4 808 B12R2.606 Cc1cc2cc(cnc2[nH]1)O 271570a_203496583355_100010202332 [1,1,0,0,0,0|2,0,0]=4 809 B12R2.606 Cc1cc2ccc(cc2[nH]1)O 271570a_203496583355_100010196937 [1,1,0,0,0,0|1,0,0]=3 810 B12R2.606 Cc1cc2ncc(cc2[nH]1)O 271570a_203496583355_100010168555 [1,1,0,0,0,0|2,0,0]=4 811 B12R2.606 Cc1nc2cc(ccc2[nH]1)O 271570a_203496583355_100011264012 [1,1,0,0,0,0|2,0,0]=4 812 B12R2.606 Nc1nc2cc(ccc2[nH]1)O 271570a_203496583355_100000764686 [1,1,0,0,0,0|2,0,0]=4 813 B12R2.606 O=C1Cc2cc(ccc2N1)O 271570a_203496583355_100000754858 [1,1,0,0,0,0|0,0,1]=3 814 B12R2.606 O=C1Cc2cc(cnc2N1)O 271570a_203496583355_100010177629 [1,1,0,0,0,0|1,0,1]=4 815 B12R2.606 O=C1Cc2cc(ncc2N1)O 271570a_203496583355_100000104063 [1,1,0,0,0,0|1,0,1]=4 816 B12R2.606 O=C1Cc2ccc(cc2C1)O 271570a_203496583355_100010185598 [1,1,0,0,0,0|1,0,1]=4 817 B12R2.606 O=C1Cc2ccc(cc2N1)O 271570a_203496583355_100000760487 [1,1,0,0,0,0|0,0,1]=3 818 B12R2.606 O=C1Cc2ccc(nc2N1)O 271570a_203496583355_100000104062 [1,1,0,0,0,0|1,0,1]=4 819 B12R2.606 O=C1Cc2cnc(cc2N1)O 271570a_203496583355_100000089690 [1,1,0,0,0,0|1,0,1]=4 820 B12R2.606 O=C1Cc2nc(ccc2N1)O 271570a_203496583355_100000087150 [1,1,0,0,0,0|1,0,1]=4 821 B12R2.606 O=C1Cc2ncc(cc2N1)O 271570a_203496583355_100010168558 [1,1,0,0,0,0|1,0,1]=4 822 B12R2.606 O=c1[nH]c2cc(ccc2o1)O 271570a_203496583355_100000764829 [1,1,0,0,0,0|1,0,0]=3 823 B12R2.606 O=c1[nH]c2cc(ccc2s1)O 271570a_203496583355_100000239354 [1,1,0,0,0,0|1,0,0]=3 824 B12R2.606 O=c1[nH]c2ccc(cc2[nH]1)O 271570a_203496583355_100011221360 [1,1,0,0,0,0|1,0,0]=3 825 B12R2.606 O=c1[nH]c2ccc(cc2o1)O 271570a_203496583355_100000697996 [1,1,0,0,0,0|1,0,0]=3 826 B12R2.606 O=c1[nH]c2ccc(cc2s1)O 271570a_203496583355_100009813980 [1,1,0,0,0,0|1,0,0]=3 827 B12R2.606 O=c1[nH]c2ccc(nc2[nH]1)O 271570a_203496583355_100000084209 [1,1,0,0,0,0|2,0,0]=4 828 B12R2.606 O=c1[nH]c2ncc(cc2o1)O 271570a_203496583355_100000721845 [1,1,0,0,0,0|2,0,0]=4 829 B12R2.606 Oc1cc2cc(ccc2[nH]1)Br 271570a_203496583355_100011012855 [1,1,0,0,0,0|0,0,1]=3 830 B12R2.606 Oc1cc2cc(ccc2s1)Br 271570a_203496583355_200010198765 [1,1,0,0,0,0|1,0,1]=4 831 B14R2.92 C=Cc1c[nH]c2ccccc2c1=O 271570a_100011290941_100012339567 [0,1,0,0,0,1|1,0,0]=3 832 B14R2.92 C=Cc1coc2ccccc2c1=O 271570a_100011290941_100009813851 [0,1,0,0,0,1|2,0,0]=4 833 B14R2.92 CSc1c[nH]c2ccccc2c1=O 62a_200000210301_100012348052 [0,1,0,0,0,1|0,1,0]=3 834 B14R2.92 CSc1coc2ccccc2c1=O 62a_200000210301_100009813851 [0,1,0,0,0,1|1,1,0]=4 835 B14R2.92 O=Cc1ccc2ccccc2c1O 271570a_203496583355_100009813496 [0,1,0,0,0,1|1,0,1]=4 836 B14R2.92 [13CH3]Sc1c[nH]c2ccccc2c1=O 62a_200025704644_100012348052 [0,1,0,0,0,1|0,1,0]=3 837 B14R2.92 [13CH3]Sc1coc2ccccc2c1=O 62a_200025704644_100009813851 [0,1,0,0,0,1|1,1,0]=4 838 B14R2.203 O=Cc1c(ccc2c1cccc2)O 271570a_203496583355_100010090029 [0,1,0,0,0,1|1,0,1]=4 839 B14R2.4513 Cc1ccc2occ(c(=O)c2c1)O 271570a_203496583355_200010005421 [0,1,0,0,0,1|1,0,1]=4 840 B14R2.4513 O=c1c(c[nH]c2c1cc(cc2)Br)O 271570a_203496583355_100012348040 [0,1,0,0,0,1|0,0,1]=3 841 B14R2.4513 O=c1c(coc2c1cc(cc2)Cl)O 271570a_203496583355_200010204847 [0,1,0,0,0,1|1,0,1]=4 842 B14R2.4513 O=c1c(coc2c1cc(cc2)F)O 271570a_203496583355_200009813772 [0,1,0,0,0,1|1,0,1]=4 843 B14R2.8038 O=c1c(c[nH]c2c1cccc2F)O 271570a_203496583355_100012351745 [0,1,0,0,0,1|0,0,1]=3 844 B14R2.29369 O=C1C=Cc2cc(ccc2C1=O)O 271570a_203496583355_100009812793 [0,1,0,0,0,1|1,0,0]=3 845 B14R2.1019 C=Cc1cc(=O)c2ccccc2[nH]1 271570a_100011290941_100000090176 [0,1,0,0,0,1|1,0,0]=3 846 B14R2.1019 CSc1cc(=O)c2ccccc2[nH]1 62a_200000210301_100000090176 [0,1,0,0,0,1|0,1,0]=3 847 B14R2.1019 CSc1cc2ccccc2c(=O)[nH]1 62a_200000210301_200015811170 [0,1,0,0,0,1|1,1,0]=4 848 B14R2.1019 [13CH3]Sc1cc(=O)c2ccccc2[nH]1 62a_200025704644_100000090176 [0,1,0,0,0,1|0,1,0]=3 849 B14R2.1019 [13CH3]Sc1cc2ccccc2c(=O)[nH]1 62a_200025704644_200015811170 [0,1,0,0,0,1|1,1,0]=4 850 B14R2.1146 C=Cc1cc(=O)[nH]c2c1cccc2 271570a_100011290941_100000075698 [0,1,0,0,0,1|1,0,0]=3 851 B14R2.1146 C=Cc1cc(=O)[nH]c2c1cccn2 271570a_100011290941_100010499609 [0,1,0,0,0,1|2,0,0]=4 852 B14R2.1146 CNc1cc(=O)[nH]c2c1cccc2 27a_100102657272_100000075698 [0,1,0,0,0,1|1,0,0]=3 853 B14R2.1146 CNc1cc(=O)[nH]c2c1cccn2 27a_100102657272_100010499609 [0,1,0,0,0,1|2,0,0]=4 854 B14R2.1146 CSc1cc(=O)[nH]c2c1cccc2 62a_200000210301_100000075698 [0,1,0,0,0,1|0,1,0]=3 855 B14R2.1146 CSc1cc(=O)[nH]c2c1cccn2 62a_200000210301_100010499609 [0,1,0,0,0,1|1,1,0]=4 856 B14R2.1146 [13CH3]Sc1cc(=O)[nH]c2c1cccc2 62a_200025704644_100000075698 [0,1,0,0,0,1|0,1,0]=3 857 B14R2.1146 [13CH3]Sc1cc(=O)[nH]c2c1cccn2 62a_200025704644_100010499609 [0,1,0,0,0,1|1,1,0]=4 858 B14R2.8045 Nc1nc2c(cccc2c(=O)[nH]1)O 271570a_203496583355_100010142784 [0,1,0,0,0,1|1,0,1]=4 859 B14R2.8045 O=c1[nH]c(=O)c2cccc(c2[nH]1)O 271570a_203496583355_100012357391 [0,1,0,0,0,1|0,0,0]=2 860 B14R2.8045 O=c1[nH]c(=O)c2ccnc(c2[nH]1)O 271570a_203496583355_209893295357 [0,1,0,0,0,1|1,0,0]=3 861 B14R2.8045 O=c1[nH]c2c(cccc2c(=O)o1)O 271570a_203496583355_100000695655 [0,1,0,0,0,1|0,0,0]=2 862 B14R2.8045 O=c1cc(c2cccc(c2[nH]1)O)O 271570a_203496583355_200010201894 [0,1,0,0,0,1|0,0,1]=3 863 B14R2.8235 Cc1cc(=O)[nH]c2c1cc(cc2)O 271570a_203496583355_100009820897 [0,1,0,0,0,1|1,0,0]=3 864 B14R2.8235 Cc1cc(=O)c2cc(ccc2[nH]1)O 271570a_203496583355_100011333642 [0,1,0,0,0,1|1,0,0]=3 865 B14R2.8235 Cc1nc2ccc(cc2c(=O)[nH]1)O 271570a_203496583355_100000741707 [0,1,0,0,0,1|1,0,1]=4 866 B14R2.8235 Cc1nc2ccc(cc2c(=O)o1)O 271570a_203496583355_200009814615 [0,1,0,0,0,1|1,0,1]=4 867 B14R2.8235 Nc1nc2ccc(cc2c(=O)[nH]1)O 271570a_203496583355_100009815394 [0,1,0,0,0,1|1,0,1]=4 868 B14R2.8235 O=C1Cc2ccc(cc2C(=O)N1)O 271570a_203496583355_100010161110 [0,1,0,0,0,1|1,0,0]=3 869 B14R2.8235 O=c1[nH]c(=O)c2cc(ccc2[nH]1)O 271570a_203496583355_100011934062 [0,1,0,0,0,1|0,0,0]=2 870 B14R2.8235 O=c1[nH]c(=O)c2cc(ccc2o1)O 271570a_203496583355_200000725568 [0,1,0,0,0,1|1,0,0]=3 871 B14R2.8235 O=c1[nH]c2ccc(cc2c(=O)o1)O 271570a_203496583355_100000216498 [0,1,0,0,0,1|0,0,0]=2 872 B14R2.8235 O=c1cc(c2cc(ccc2[nH]1)O)O 271570a_203496583355_100000695641 [0,1,0,0,0,1|0,0,1]=3 873 B14R2.8235 O=c1cc(c2cc(ccc2o1)O)O 271570a_203496583355_100009814091 [0,1,0,0,0,1|1,0,1]=4 874 B14R2.28480 Cc1nc2cccc(c2c(=O)o1)O 271570a_203496583355_200010128068 [0,1,0,0,0,1|1,0,1]=4 875 B14R2.28480 O=c1[nH]c2cccc(c2c(=O)o1)O 271570a_203496583355_100010201677 [0,1,0,0,0,1|0,0,0]=2 876 B14R2.29365 Cc1cc2cc(ccc2c(=O)[nH]1)O 271570a_203496583355_100010883700 [0,1,0,0,0,1|2,0,0]=4 877 B14R2.29365 Cc1nc2cc(ccc2c(=O)[nH]1)O 271570a_203496583355_100012357626 [0,1,0,0,0,1|1,0,1]=4 878 B14R2.29365 Nc1nc(=O)c2ccc(cc2[nH]1)O 271570a_203496583355_100010077259 [0,1,0,0,0,1|1,0,0]=3 879 B14R2.29365 O=c1[nH]c(=O)c2ccc(cc2[nH]1)O 271570a_203496583355_100012351534 [0,1,0,0,0,1|0,0,0]=2 880 B14R2.29365 O=c1[nH]c(=O)c2ccc(nc2[nH]1)O 271570a_203496583355_100000117996 [0,1,0,0,0,1|1,0,0]=3 881 B14R2.29365 O=c1[nH]c2cc(ccc2c(=O)o1)O 271570a_203496583355_100000723304 [0,1,0,0,0,1|0,0,0]=2 882 B14R2.29365 O=c1cc(c2ccc(cc2o1)O)O 271570a_203496583355_100010062223 [0,1,0,0,0,1|1,0,1]=4 883 B14R2.1128 C=Cc1cc2ccccc2oc1=O 271570a_100011290941_200000187772 [0,1,0,0,0,1|2,0,0]=4 884 B14R2.1128 COc1cc2ccccc2oc1=O 7a_100000061252_200000210301 [0,1,0,0,0,1|1,0,1]=4 885 B14R2.1128 CSc1cc2ccccc2oc1=O 62a_200000210301_200000187772 [0,1,0,0,0,1|1,1,0]=4 886 B14R2.1128 O=Cc1cc2ccccc2nc1O 271570a_203496583355_100000183649 [0,1,0,0,0,1|0,0,2]=4 887 B14R2.1128 [13CH3]Oc1cc2ccccc2oc1=O 7a_100000061252_200025704644 [0,1,0,0,0,1|1,0,1]=4 888 B14R2.1128 [13CH3]Sc1cc2ccccc2oc1=O 62a_200025704644_200000187772 [0,1,0,0,0,1|1,1,0]=4 889 B14R2.8239 CC1Oc2ccc(cc2NC1=O)O 271570a_203496583355_100000745501 [0,1,0,0,0,1|1,0,1]=4 890 B14R2.8239 CN1Cc2cc(ccc2NC1=O)O 271570a_203496583355_100000188780 [0,1,0,0,0,1|2,0,0]=4 891 B14R2.8239 O=c1[nH]c2cc(cnc2[nH]c1=O)O 271570a_203496583355_100009812773 [0,1,0,0,0,1|1,0,0]=3 892 B14R2.8239 O=c1[nH]c2ccc(cc2[nH]c1=O)O 271570a_203496583355_100011221361 [0,1,0,0,0,1|0,0,0]=2 893 B14R2.28472 CN1Cc2c(cccc2NC1=O)O 271570a_203496583355_200010992586 [0,1,0,0,0,1|2,0,0]=4 894 B14R2.44 CNCc1[nH]c2ccccc2c1C 270004a_106832991635_100000066550 [0,2,0,0,0,0|2,0,0]=4 895 B14R2.44 CNCc1[nH]c2ccccc2c1Cl 270004a_106832991635_100000050720 [0,2,0,0,0,0|2,0,0]=4 896 B14R2.450 CC(=O)C1=C(c2ccccc2C1)C 1458a_200000242466_200000210301 [0,2,0,0,0,0|2,0,0]=4 897 B14R2.450 CC(=O)C1Cc2ccccc2C1=O 1458a_100000070787_100011218503 [0,2,0,0,0,0|1,0,1]=4 898 B14R2.450 CC1=C(Cc2c1cccc2)C(=O)[13CH3] 1458a_200000242466_200025704644 [0,2,0,0,0,0|2,0,0]=4 899 B14R2.1129 C=Cc1c(sc2c1cccc2)C=O 271570a_100011290941_100009816528 [0,2,0,0,0,0|2,0,0]=4 900 B14R2.517 CCSC1C(=O)Nc2c1cccc2 62a_100000210202_200009996675 [0,2,0,0,0,0|0,1,1]=4 901 B14R2.517 O=C1Nc2ccccc2C1SCF 62a_100015361967_200009996675 [0,2,0,0,0,0|0,1,1]=4 902 B14R2.642 CN(C)C1C(=O)Nc2c1cccc2 269982a_100102631434_200009996675 [0,2,0,0,0,0|1,0,1]=4 903 B14R2.17474 CC1(C(=O)Nc2c1cccc2)O[13CH3] 34a_100000695988_200025704644 [0,2,0,0,0,0|0,0,2]=4 904 B14R2.17474 COC1(C(=O)Nc2c1cccc2)C 34a_100000695988_200000210301 [0,2,0,0,0,0|0,0,2]=4 905 B14R2.19008 CCC1C(=O)Nc2c1cc(cc2)O 271570a_203496583355_200009816826 [0,2,0,0,0,0|1,0,1]=4 906 B14R2.19008 N#Cc1c([nH]c2c1cc(cc2)O)N 271570a_203496583355_100010257711 [0,2,0,0,0,0|2,0,0]=4 907 B14R2.4646 CC1(C(=O)Nc2c1ccc(c2)O)C 271570a_203496583355_100000686694 [0,2,0,0,0,0|1,0,1]=4 908 B14R2.645 O=C1Nc2cc(c(cc2C1=O)O)F 271570a_203496583355_100000738794 [0,2,0,0,0,0|0,0,0]=2 909 B14R2.3274 C=Cc1ccc2[nH]c(=O)n(c2c1)C 271570a_100011290941_100010393459 [0,2,0,0,0,0|2,0,0]=4 910 B14R2.3274 C=Cc1ccc2[nH]c(c(c2c1)C)C 271570a_100011290941_100012262263 [0,2,0,0,0,0|2,0,0]=4 911 B14R2.3274 C=Cc1ccc2c(c1)C(=O)C(=O)N2 271570a_100011290941_100000024671 [0,2,0,0,0,0|0,0,0]=2 912 B14R2.3274 C=Cc1ccc2c(c1)C(C(=O)N2)C 271570a_100011290941_100010251565 [0,2,0,0,0,0|1,0,1]=4 913 B14R2.3274 C=Cc1cnc2c(c1)C(=O)C(=O)N2 271570a_100011290941_100010174890 [0,2,0,0,0,0|1,0,0]=3 914 B14R2.3274 CC1C(=O)Nc2c1cc(cc2)S[13CH3] 62a_200025704644_100010251565 [0,2,0,0,0,0|1,0,1]=4 915 B14R2.3274 CSc1ccc2[nH]c(c(c2c1)C)C 62a_200000210301_100012262263 [0,2,0,0,0,0|2,0,0]=4 916 B14R2.3274 CSc1ccc2c(c1)C(=O)C(=O)N2 62a_100000024671_200000210301 [0,2,0,0,0,0|0,0,0]=2 917 B14R2.3274 CSc1ccc2c(c1)C(=O)C(=O)N2 62a_200000210301_100000024671 [0,2,0,0,0,0|0,0,0]=2 918 B14R2.3274 CSc1ccc2c(c1)C(C(=O)N2)C 62a_200000210301_100010251565 [0,2,0,0,0,0|1,0,1]=4 919 B14R2.3274 CSc1cnc2c(c1)C(=O)C(=O)N2 62a_100010174890_200000210301 [0,2,0,0,0,0|1,0,0]=3 920 B14R2.3274 CSc1cnc2c(c1)C(=O)C(=O)N2 62a_200000210301_100010174890 [0,2,0,0,0,0|1,0,0]=3 921 B14R2.3274 Cc1[nH]c2ccc(cc2c1C)S[13CH3] 62a_200025704644_100012262263 [0,2,0,0,0,0|2,0,0]=4 922 B14R2.3274 [13CH3]Sc1ccc2c(c1)C(=O)C(=O)N2 62a_100000024671_200025704644 [0,2,0,0,0,0|0,0,0]=2 923 B14R2.3274 [13CH3]Sc1ccc2c(c1)C(=O)C(=O)N2 62a_200025704644_100000024671 [0,2,0,0,0,0|0,0,0]=2 924 B14R2.3274 [13CH3]Sc1cnc2c(c1)C(=O)C(=O)N2 62a_100010174890_200025704644 [0,2,0,0,0,0|1,0,0]=3 925 B14R2.3274 [13CH3]Sc1cnc2c(c1)C(=O)C(=O)N2 62a_200025704644_100010174890 [0,2,0,0,0,0|1,0,0]=3 926 B14R2.4506 Cc1ccc2c(c1O)C(=O)C(=O)N2 271570a_203496583355_100000685568 [0,2,0,0,0,0|0,0,0]=2 927 B14R2.4506 O=C1Nc2ccc(c(c2C1=O)O)F 271570a_203496583355_100021489443 [0,2,0,0,0,0|0,0,0]=2 928 B14R2.8716 CN1C(=O)C(=O)c2c1cc(cc2)O 271570a_203496583355_100011232274 [0,2,0,0,0,0|0,0,0]=2 929 B14R2.8716 CN1C(=O)C(=O)c2c1ccc(c2)O 271570a_203496583355_100000187606 [0,2,0,0,0,0|0,0,0]=2 930 B14R2.9184 Cc1cc(c2c(c1)C(=O)C(=O)N2)O 271570a_203496583355_100000216493 [0,2,0,0,0,0|0,0,0]=2 931 B14R2.9184 Cc1cc(cc2c1NC(=O)C2=O)O 271570a_203496583355_100000738869 [0,2,0,0,0,0|0,0,0]=2 932 B14R2.9184 O=C1Nc2c(cc(cc2C1=O)F)O 271570a_203496583355_100000182523 [0,2,0,0,0,0|0,0,0]=2 933 B14R2.9184 O=C1Nc2c(cc(cc2C1=O)O)F 271570a_203496583355_200000754225 [0,2,0,0,0,0|0,0,0]=2 934 B14R2.8620 Cc1ccc(c2c1NC(=O)C2=O)O 271570a_203496583355_100000756257 [0,2,0,0,0,0|0,0,0]=2 935 B14R2.8620 O=C1Nc2c(ccc(c2C1=O)F)O 271570a_203496583355_100000716705 [0,2,0,0,0,0|0,0,0]=2 936 B14R2.8737 O=C1Nc2c(ccc(c2F)O)C1=O 271570a_203496583355_100011000547 [0,2,0,0,0,0|0,0,0]=2 937 B14R2.11645 C=Cc1cccc2c1NC(=O)C2=O 271570a_100011290941_100000183292 [0,2,0,0,0,0|0,0,0]=2 938 B14R2.11645 CSc1cccc2c1NC(=O)C2=O 62a_100000183292_200000210301 [0,2,0,0,0,0|0,0,0]=2 939 B14R2.11645 [13CH3]Sc1cccc2c1NC(=O)C2=O 62a_100000183292_200025704644 [0,2,0,0,0,0|0,0,0]=2 940 B14R2.11690 C=Cc1cccc2c1C(=O)C(=O)N2 271570a_100011290941_100000697038 [0,2,0,0,0,0|0,0,0]=2 941 B14R2.11690 C=Cc1cccc2c1n(c(=O)[nH]2)C 271570a_100011290941_100010994120 [0,2,0,0,0,0|2,0,0]=4 942 B14R2.11690 CSc1cccc2c1C(=O)C(=O)N2 62a_100000697038_200000210301 [0,2,0,0,0,0|0,0,0]=2 943 B14R2.11690 CSc1cccc2c1C(=O)C(=O)N2 62a_200000210301_100000697038 [0,2,0,0,0,0|0,0,0]=2 944 B14R2.11690 CSc1cccc2c1n(c(=O)[nH]2)C 62a_200000210301_100010994120 [0,2,0,0,0,0|2,0,0]=4 945 B14R2.11690 Cn1c(=O)[nH]c2c1c(ccc2)S[13CH3] 62a_200025704644_100010994120 [0,2,0,0,0,0|2,0,0]=4 946 B14R2.11690 [13CH3]Sc1cccc2c1C(=O)C(=O)N2 62a_100000697038_200025704644 [0,2,0,0,0,0|0,0,0]=2 947 B14R2.11690 [13CH3]Sc1cccc2c1C(=O)C(=O)N2 62a_200025704644_100000697038 [0,2,0,0,0,0|0,0,0]=2 948 B14R2.27750 Cn1c(=O)[nH]c2c1c(cc(c2)F)O 271570a_203496583355_100015762564 [0,2,0,0,0,0|2,0,0]=4 949 B14R2.1815 C=Cc1ccc2c(c1)NC(=O)C2=O 271570a_100011290941_100000239657 [0,2,0,0,0,0|0,0,0]=2 950 B14R2.1815 C=Cc1ccc2c(c1)NC(=O)C2C 271570a_100011290941_100010201481 [0,2,0,0,0,0|1,0,1]=4 951 B14R2.1815 CC1C(=O)Nc2c1ccc(c2)S[13CH3] 62a_200025704644_100010201481 [0,2,0,0,0,0|1,0,1]=4 952 B14R2.1815 CSc1ccc2c(c1)NC(=O)C2=O 62a_100000239657_200000210301 [0,2,0,0,0,0|0,0,0]=2 953 B14R2.1815 CSc1ccc2c(c1)NC(=O)C2=O 62a_200000210301_100000049690 [0,2,0,0,0,0|0,0,0]=2 954 B14R2.1815 CSc1ccc2c(c1)NC(=O)C2C 62a_200000210301_100010201481 [0,2,0,0,0,0|1,0,1]=4 955 B14R2.1815 [13CH3]Sc1ccc2c(c1)NC(=O)C2=O 62a_100000239657_200025704644 [0,2,0,0,0,0|0,0,0]=2 956 B14R2.1815 [13CH3]Sc1ccc2c(c1)NC(=O)C2=O 62a_200025704644_100000049690 [0,2,0,0,0,0|0,0,0]=2 957 B12R2.315 C=Cc1cccc2c1[nH]cc2 271570a_100011290941_100009813418 [0,0,1,1,0,0|2,0,0]=4 958 B12R1.107 C=C(C)CC(=O)c1ccccc1 1458a_100000185807_100000748629 [0,0,1,0,0,1|2,0,0]=4 959 B12R1.107 C=C(F)CC(=O)c1ccccc1 1458a_100000185807_100009893438 [0,0,1,0,0,1|2,0,0]=4 960 B12R1.107 CC(=CC(=O)[13CH3])c1ccccc1 1458a_100000743005_200025704644 [0,0,1,0,0,1|2,0,0]=4 961 B12R1.107 CC(=O)C=C(C)c1ccccc1 1458a_100000743005_200000210301 [0,0,1,0,0,1|2,0,0]=4 962 B12R1.107 CC(=O)CC(=O)c1ccccc1 1458a_100000070787_100000211460 [0,0,1,0,0,1|1,0,0]=3 963 B12R1.107 CC(=O)CC(=O)c1ccccn1 1458a_100000070787_100000027445 [0,0,1,0,0,1|2,0,0]=4 964 B12R1.107 CC(=O)CC(=O)c1cccnc1 1458a_100000070787_100015188593 [0,0,1,0,0,1|2,0,0]=4 965 B12R1.107 CC(=O)CC(=O)c1ccncc1 1458a_100000070787_100000027454 [0,0,1,0,0,1|2,0,0]=4 966 B12R1.107 CN(CC(=O)N)c1ccccc1 2230a_100000210012_100000747473 [0,0,1,0,0,1|2,0,0]=4 967 B12R1.107 CN(CC(=O)N)c1ccccc1 2230a_100000212578_200000210301 [0,0,1,0,0,1|2,0,0]=4 968 B12R1.107 CN(CC(=O)N)c1ccccc1 269982a_100000210012_100000187820 [0,0,1,0,0,1|2,0,0]=4 969 B12R1.107 CN(CC(=O)N)c1ccccc1 269982a_100000212578_200000210301 [0,0,1,0,0,1|2,0,0]=4 970 B12R1.107 CN(CC(=O)N)c1ccccc1 34a_100000210012_100000187820 [0,0,1,0,0,1|2,0,0]=4 971 B12R1.107 NC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000187820 [0,0,1,0,0,1|0,0,0]=2 972 B12R1.107 O=C(C[N+](=O)[O-])c1ccccc1 1458a_100000185807_100000761209 [0,0,1,0,0,1|2,0,0]=4 973 B12R1.107 O=C([O-])CC(=O)c1ccccc1 1458a_100000185807_100020667443 [0,0,1,0,0,1|1,0,0]=3 974 B12R1.107 [13CH3]N(CC(=O)N)c1ccccc1 2230a_100000212578_200025704644 [0,0,1,0,0,1|2,0,0]=4 975 B12R1.107 [13CH3]N(CC(=O)N)c1ccccc1 269982a_100000212578_200025704644 [0,0,1,0,0,1|2,0,0]=4 976 B12R1.27 C=CC(=NNc1ccccc1)C 4a_100015195140_200015361842 [0,0,1,0,0,1|2,0,0]=4 977 B12R1.27 C=CC(=O)CCc1ccccc1 1458a_100000185746_100000765856 [0,0,1,0,0,1|2,0,0]=4 978 B12R1.27 C=CC(=O)NCc1ccccc1 1626a_100015324214_100000185746 [0,0,1,0,0,1|1,0,0]=3 979 B12R1.27 C=CC(=O)NCc1ccccc1 240690a_100015324214_200121576911 [0,0,1,0,0,1|1,0,0]=3 980 B12R1.27 C=CC(=O)NCc1ccccn1 1626a_100000210449_100000185746 [0,0,1,0,0,1|2,0,0]=4 981 B12R1.27 C=CC(=O)NCc1ccccn1 240690a_100000210449_200121576911 [0,0,1,0,0,1|2,0,0]=4 982 B12R1.27 C=CC(=O)NCc1cccnc1 240690a_100000210453_200121576911 [0,0,1,0,0,1|2,0,0]=4 983 B12R1.27 C=CC(=O)NCc1ccncc1 1626a_100000210450_100000185746 [0,0,1,0,0,1|2,0,0]=4 984 B12R1.27 C=CC(=O)NCc1ccncc1 240690a_100000210450_200121576911 [0,0,1,0,0,1|2,0,0]=4 985 B12R1.27 C=CC(=O)NNc1ccccc1 22a_100015195140_100000185746 [0,0,1,0,0,1|1,0,0]=3 986 B12R1.27 C=CC(=O)NNc1ccccn1 22a_100000183288_100000185746 [0,0,1,0,0,1|2,0,0]=4 987 B12R1.27 C=CC(=O)NNc1cccnc1 22a_100000728903_100000185746 [0,0,1,0,0,1|2,0,0]=4 988 B12R1.27 C=CC(=O)NNc1ccncc1 22a_100000698918_100000185746 [0,0,1,0,0,1|2,0,0]=4 989 B12R1.27 CCC(=O)NCc1ccccc1 11a_100015324214_100000210414 [0,0,1,0,0,1|1,0,1]=4 990 B12R1.27 CCC(=O)NCc1ccccc1 1626a_100015324214_100000210414 [0,0,1,0,0,1|1,0,1]=4 991 B12R1.27 CCC(=O)NCc1ccccc1 240690a_100015324214_100000210414 [0,0,1,0,0,1|1,0,1]=4 992 B12R1.27 CCC(=O)NCc1ccccc1 527a_100015324214_100000210414 [0,0,1,0,0,1|1,0,1]=4 993 B12R1.27 CCC(=O)NNc1ccccc1 22a_100015195140_100000210414 [0,0,1,0,0,1|1,0,1]=4 994 B12R1.27 CNC(=O)CNc1ccccc1 34a_100000106764_100000183359 [0,0,1,0,0,1|2,0,0]=4 995 B12R1.27 CNC(=O)NCc1ccccc1 2708a_100015324214_106832991635 [0,0,1,0,0,1|2,0,0]=4 996 B12R1.27 CNC(=O)NCc1ccccc1 2708a_100102657272_100015324214 [0,0,1,0,0,1|2,0,0]=4 997 B12R1.27 CNC(=O)NCc1ccccc1 273464a_100015324214_100102657272 [0,0,1,0,0,1|2,0,0]=4 998 B12R1.27 CNC(=O)NCc1ccccc1 273464a_100102657272_100015324214 [0,0,1,0,0,1|2,0,0]=4 999 B12R1.27 CNC(=O)NCc1ccccc1 512a_100015324214_100102657272 [0,0,1,0,0,1|2,0,0]=4 1000 B12R1.27 CNC(=O)NCc1ccccc1 512a_106832991638_100015324214 [0,0,1,0,0,1|2,0,0]=4 1001 B12R1.27 CNC(=O)NNc1ccccc1 273464a_100102657272_100015195140 [0,0,1,0,0,1|2,0,0]=4 1002 B12R1.27 CNC(=O)NNc1ccccc1 512a_106832991638_100015195140 [0,0,1,0,0,1|2,0,0]=4 1003 B12R1.27 COC(=O)CNc1ccccc1 34a_100000106764_100000747449 [0,0,1,0,0,1|2,0,0]=4 1004 B12R1.27 O=C(CO)NCc1ccccc1 240690a_100015324214_100000210174 [0,0,1,0,0,1|0,0,2]=4 1005 B12R1.27 O=C(CO)NCc1ccccc1 527a_100015324214_100000210174 [0,0,1,0,0,1|0,0,2]=4 1006 B12R1.27 O=C(CO)NNc1ccccc1 22a_100015195140_100000210174 [0,0,1,0,0,1|0,0,2]=4 1007 B12R1.40 C=C=Cc1[nH]c(=O)[nH]c(=O)c1C 271570a_100015277604_200009866310 [0,0,1,0,0,1|0,0,2]=4 1008 B12R1.40 CC=Cc1[nH]c(=O)[nH]c(=O)c1C 271570a_100016259895_200009866310 [0,0,1,0,0,1|0,0,2]=4 1009 B12R1.100 C=CCNc1cc(=O)[nH]c(=O)[nH]1 27a_100020586998_100000015670 [0,0,1,0,0,1|1,0,1]=4 1010 B12R1.100 C=CCSc1cc(=O)[nH]c(=O)[nH]1 62a_100000210623_100000015670 [0,0,1,0,0,1|1,0,1]=4 1011 B12R1.234 C=Cc1[nH]c(=O)[nH]c(=O)c1CC 271570a_100011290941_100000080397 [0,0,1,0,0,1|0,0,2]=4