0 B13R1.589 C=C(C)c1ccccc1CC(=O)C 271570a_100000694244_100011350739 [0,0,0,0,0,0|3,0,0]=3 1 B13R1.589 C=C(C)c1ccccc1CC(=O)N 271570a_100000694244_200009814924 [0,0,0,0,0,0|4,0,0]=4 2 B13R1.589 C=C(C)c1ccccc1NC(=O)C 11a_100000037685_100015343762 [0,0,0,0,0,0|3,0,0]=3 3 B13R1.589 C=C(C)c1ccccc1NC(=O)C 1626a_100000037685_100015343762 [0,0,0,0,0,0|3,0,0]=3 4 B13R1.589 C=C(C)c1ccccc1NC(=O)C 22a_100000037685_100000070787 [0,0,0,0,0,0|3,0,0]=3 5 B13R1.589 C=C(C)c1ccccc1NC(=O)C 271570a_100000694244_100000153524 [0,0,0,0,0,0|3,0,0]=3 6 B13R1.589 C=C(C)c1ccccc1NC(=O)N 271570a_100000694244_100000742221 [0,0,0,0,0,0|4,0,0]=4 7 B13R1.589 C=C(C)c1ccccc1OC(=O)C 271570a_100000694244_100000051690 [0,0,0,0,0,0|2,0,0]=2 8 B13R1.589 C=C(C)c1ccccc1OC(C)C 271570a_100000694244_100000173919 [0,0,0,0,0,0|3,0,1]=4 9 B13R1.589 C=C(C)c1cnccc1NC(=O)C 271570a_100000694244_100016132053 [0,0,0,0,0,0|4,0,0]=4 10 B13R1.589 C=C(C)c1ncccc1OC(=O)C 271570a_100000694244_200009815371 [0,0,0,0,0,0|3,0,0]=3 11 B13R1.589 CC(=Cc1ccccc1B(O)O)C 271570a_100102525489_100000693059 [0,0,0,0,0,0|3,0,1]=4 12 B13R1.589 CC(=Cc1ccccc1C(=O)N)C 271570a_100102525489_100000162227 [0,0,0,0,0,0|3,0,0]=3 13 B13R1.589 CC(=Cc1ccccc1C(C)O)C 271570a_100102525489_100000702211 [0,0,0,0,0,0|3,0,1]=4 14 B13R1.589 CC(=Cc1ccccc1S(=O)C)C 271570a_100102525489_100000734199 [0,0,0,0,0,0|4,0,0]=4 15 B13R1.589 CC(=Cc1cccnc1C(=O)N)C 271570a_100102525489_200012359670 [0,0,0,0,0,0|4,0,0]=4 16 B13R1.589 CC(=Cc1ccncc1C(=O)N)C 271570a_100102525489_100000697804 [0,0,0,0,0,0|4,0,0]=4 17 B13R1.589 CC(=Cc1cnccc1C(=O)N)C 271570a_100102525489_100010205435 [0,0,0,0,0,0|4,0,0]=4 18 B13R1.589 CC(=Cc1ncccc1C(=O)N)C 271570a_100102525489_100000162199 [0,0,0,0,0,0|4,0,0]=4 19 B13R1.589 CC(=O)Cc1ccccc1B(O)O 1458a_100000070787_100009814197 [0,0,0,0,0,0|2,0,1]=3 20 B13R1.589 CC(=O)Cc1ccccc1[N+](=O)[O-] 1458a_100000070787_100000181388 [0,0,0,0,0,0|2,0,1]=3 21 B13R1.589 CC(=O)Cc1ccccc1[N+](=O)[O-] 1458a_100000188737_200000210301 [0,0,0,0,0,0|2,0,1]=3 22 B13R1.589 CC(=O)Nc1ccccc1C(=O)N 11a_100000185089_100015343762 [0,0,0,0,0,0|2,0,0]=2 23 B13R1.589 CC(=O)Nc1ccccc1C(=O)N 1626a_100000185089_100015343762 [0,0,0,0,0,0|2,0,0]=2 24 B13R1.589 CC(=O)Nc1ccccc1C(=O)N 22a_100000185089_100000070787 [0,0,0,0,0,0|2,0,0]=2 25 B13R1.589 CC(=O)Nc1ccccc1C(=S)N 1626a_100000206033_100015343762 [0,0,0,0,0,0|2,1,0]=3 26 B13R1.589 CC(=O)Nc1ccccc1C(C)C 11a_100000210643_100015343762 [0,0,0,0,0,0|3,0,1]=4 27 B13R1.589 CC(=O)Nc1ccccc1C(C)C 1626a_100000210643_100015343762 [0,0,0,0,0,0|3,0,1]=4 28 B13R1.589 CC(=O)Nc1ccccc1C(C)C 22a_100000210643_100000070787 [0,0,0,0,0,0|3,0,1]=4 29 B13R1.589 CC(=O)Nc1ccccc1C(C)C 527a_100000210643_100103153847 [0,0,0,0,0,0|3,0,1]=4 30 B13R1.589 CC(=O)Nc1ccccc1C(F)F 11a_100000734540_100015343762 [0,0,0,0,0,0|3,0,1]=4 31 B13R1.589 CC(=O)Nc1ccccc1C(F)F 1626a_100000734540_100015343762 [0,0,0,0,0,0|3,0,1]=4 32 B13R1.589 CC(=O)Nc1ccccc1C(F)F 22a_100000734540_100000070787 [0,0,0,0,0,0|3,0,1]=4 33 B13R1.589 CC(=O)Nc1ccccc1N(C)C 11a_100000737595_100015343762 [0,0,0,0,0,0|4,0,0]=4 34 B13R1.589 CC(=O)Nc1ccccc1N(C)C 1626a_100000737595_100015343762 [0,0,0,0,0,0|4,0,0]=4 35 B13R1.589 CC(=O)Nc1ccccc1N(C)C 22a_100000737595_100000070787 [0,0,0,0,0,0|4,0,0]=4 36 B13R1.589 CC(=O)Nc1ccccc1N(C)C 527a_100000737595_100103153847 [0,0,0,0,0,0|4,0,0]=4 37 B13R1.589 CC(=O)c1ccccc1C=C(C)C 271570a_100102525489_100000751169 [0,0,0,0,0,0|3,0,0]=3 38 B13R1.589 CC(=O)c1ccccc1CN(C)C 1458a_100000743624_200000210301 [0,0,0,0,0,0|4,0,0]=4 39 B13R1.589 CC(=O)c1ccccc1OC(C)C 1458a_100000244644_200000210301 [0,0,0,0,0,0|2,0,1]=3 40 B13R1.589 CC(=O)c1ccccc1OC(F)F 1458a_100000184405_200000210301 [0,0,0,0,0,0|3,0,1]=4 41 B13R1.589 CC(=O)c1ccccc1SC(C)C 1458a_100000229993_200000210301 [0,0,0,0,0,0|2,1,1]=4 42 B13R1.589 CC(=O)c1ccccc1SC(C)C 62a_100000751169_100000210206 [0,0,0,0,0,0|2,1,1]=4 43 B13R1.589 CC(=O)c1cccnc1C=C(C)C 271570a_100102525489_100000753718 [0,0,0,0,0,0|4,0,0]=4 44 B13R1.589 CC(=O)c1ccncc1C=C(C)C 271570a_100102525489_100009993184 [0,0,0,0,0,0|4,0,0]=4 45 B13R1.589 CC(=O)c1ccncc1OC(C)C 7a_100009872882_100000210206 [0,0,0,0,0,0|3,0,1]=4 46 B13R1.589 CC(=O)c1cnccc1C=C(C)C 271570a_100102525489_100160469449 [0,0,0,0,0,0|4,0,0]=4 47 B13R1.589 CC(=O)c1ncccc1C=C(C)C 271570a_100102525489_100012348690 [0,0,0,0,0,0|4,0,0]=4 48 B13R1.589 CC(=O)c1ncccc1OC(C)C 34a_100000087166_100000210206 [0,0,0,0,0,0|3,0,1]=4 49 B13R1.589 CC(=O)c1ncccc1OC(C)C 7a_100000087166_100000210206 [0,0,0,0,0,0|3,0,1]=4 50 B13R1.589 CC(C)Nc1ccccc1C(=O)N 34a_100000185089_100000210206 [0,0,0,0,0,0|3,0,1]=4 51 B13R1.589 CC(C)Oc1ccccc1C(=O)N 34a_100000192804_100000210206 [0,0,0,0,0,0|2,0,1]=3 52 B13R1.589 CC(C)Oc1ccccc1C(=O)N 7a_100000192804_100000210206 [0,0,0,0,0,0|2,0,1]=3 53 B13R1.589 CC(C)Oc1ccccc1C(=O)[13CH3] 1458a_100000244644_200025704644 [0,0,0,0,0,0|2,0,1]=3 54 B13R1.589 CC(C)Oc1ccccc1C(=O)[O-] 7a_100015234032_100000210206 [0,0,0,0,0,0|1,0,2]=3 55 B13R1.589 CC(C)Oc1ccccc1C(=S)N 7a_100000745089_100000210206 [0,0,0,0,0,0|2,1,1]=4 56 B13R1.589 CC(C)Oc1ccccc1C(C)O 34a_200011232679_100000210206 [0,0,0,0,0,0|2,0,2]=4 57 B13R1.589 CC(C)Oc1ccccc1C(C)O 7a_200011232679_100000210206 [0,0,0,0,0,0|2,0,2]=4 58 B13R1.589 CC(C)Oc1ccccc1[N+](=O)[O-] 34a_100000186319_100000210206 [0,0,0,0,0,0|2,0,2]=4 59 B13R1.589 CC(C)Oc1ccccc1[N+](=O)[O-] 7a_100000186319_100000210206 [0,0,0,0,0,0|2,0,2]=4 60 B13R1.589 CC(C)Oc1cccnc1C(=O)N 34a_200011215183_100000210206 [0,0,0,0,0,0|3,0,1]=4 61 B13R1.589 CC(C)Oc1cccnc1C(=O)N 7a_200011215183_100000210206 [0,0,0,0,0,0|3,0,1]=4 62 B13R1.589 CC(C)Oc1ccncc1C(=O)N 34a_200011998761_100000210206 [0,0,0,0,0,0|3,0,1]=4 63 B13R1.589 CC(C)Oc1cnccc1C(=O)N 7a_100012022987_100000210206 [0,0,0,0,0,0|3,0,1]=4 64 B13R1.589 CC(C)Sc1ccccc1C(=O)N 62a_100000162227_100000210206 [0,0,0,0,0,0|2,1,1]=4 65 B13R1.589 CC(C)Sc1ccccc1C(=O)N 62a_100000210206_100000162227 [0,0,0,0,0,0|2,1,1]=4 66 B13R1.589 CC(C)Sc1ccccc1C(=O)O 62a_100000210206_100000734275 [0,0,0,0,0,0|1,1,1]=3 67 B13R1.589 CC(C)Sc1ccccc1C(=O)O 62a_202125556159_100000210206 [0,0,0,0,0,0|1,1,1]=3 68 B13R1.589 CC(C)Sc1ccccc1C(=O)[13CH3] 1458a_100000229993_200025704644 [0,0,0,0,0,0|2,1,1]=4 69 B13R1.589 CN(C)Cc1ccccc1C(=O)[13CH3] 1458a_100000743624_200025704644 [0,0,0,0,0,0|4,0,0]=4 70 B13R1.589 [13CH3]C(=O)Cc1ccccc1[N+](=O)[O-] 1458a_100000188737_200025704644 [0,0,0,0,0,0|2,0,1]=3 71 B13R1.589 [13CH3]C(=O)c1ccccc1OC(F)F 1458a_100000184405_200025704644 [0,0,0,0,0,0|3,0,1]=4 72 B12R1.75 C#Cc1ccccc1NC(=O)C 11a_100011470550_100015343762 [1,0,0,0,0,0|2,0,1]=4 73 B12R1.75 C#Cc1ccccc1NC(=O)C 1626a_100011470550_100015343762 [1,0,0,0,0,0|2,0,1]=4 74 B12R1.75 C#Cc1ccccc1NC(=O)C 22a_100011470550_100000070787 [1,0,0,0,0,0|2,0,1]=4 75 B12R1.75 C=Cc1ccccc1CC(=O)C 271570a_100011290941_100011350739 [1,0,0,0,0,0|2,0,0]=3 76 B12R1.75 C=Cc1ccccc1CC(=O)N 271570a_100011290941_200009814924 [1,0,0,0,0,0|3,0,0]=4 77 B12R1.75 C=Cc1ccccc1NC(=O)C 11a_100012022501_100015343762 [1,0,0,0,0,0|2,0,0]=3 78 B12R1.75 C=Cc1ccccc1NC(=O)C 1626a_100012022501_100015343762 [1,0,0,0,0,0|2,0,0]=3 79 B12R1.75 C=Cc1ccccc1NC(=O)C 22a_100012022501_100000070787 [1,0,0,0,0,0|2,0,0]=3 80 B12R1.75 C=Cc1ccccc1NC(=O)C 271570a_100011290941_100000153524 [1,0,0,0,0,0|2,0,0]=3 81 B12R1.75 C=Cc1ccccc1NC(=O)N 271570a_100011290941_100000742221 [1,0,0,0,0,0|3,0,0]=4 82 B12R1.75 C=Cc1ccccc1OC(=O)C 271570a_100011290941_100000051690 [1,0,0,0,0,0|1,0,0]=2 83 B12R1.75 C=Cc1ccccc1OC(C)C 271570a_100011290941_100000173919 [1,0,0,0,0,0|2,0,1]=4 84 B12R1.75 C=Cc1cnccc1NC(=O)C 271570a_100011290941_100016132053 [1,0,0,0,0,0|3,0,0]=4 85 B12R1.75 C=Cc1ncccc1OC(=O)C 271570a_100011290941_200009815371 [1,0,0,0,0,0|2,0,0]=3 86 B12R1.75 CC(=Cc1ccccc1C=O)C 271570a_100102525489_100000211189 [1,0,0,0,0,0|2,0,0]=3 87 B12R1.75 CC(=Cc1ccccc1CO)C 271570a_100102525489_100000187465 [1,0,0,0,0,0|2,0,1]=4 88 B12R1.75 CC(=Cc1cccnc1C=O)C 271570a_100102525489_100011934733 [1,0,0,0,0,0|3,0,0]=4 89 B12R1.75 CC(=Cc1ccncc1C=O)C 271570a_100102525489_100000050567 [1,0,0,0,0,0|3,0,0]=4 90 B12R1.75 CC(=Cc1cnccc1C=O)C 271570a_100102525489_100011934409 [1,0,0,0,0,0|3,0,0]=4 91 B12R1.75 CC(=Cc1ncccc1C=O)C 271570a_100102525489_100009816751 [1,0,0,0,0,0|3,0,0]=4 92 B12R1.75 CC(=O)Cc1ccccc1C#N 1458a_100000070787_100000181865 [1,0,0,0,0,0|2,0,1]=4 93 B12R1.75 CC(=O)Cc1ccccc1C#N 1458a_100000238613_200000210301 [1,0,0,0,0,0|2,0,1]=4 94 B12R1.75 CC(=O)Cc1ccccc1C=O 1458a_100000070787_200009853537 [1,0,0,0,0,0|1,0,0]=2 95 B12R1.75 CC(=O)Cc1ccccc1CO 1458a_100000070787_100009816955 [1,0,0,0,0,0|1,0,1]=3 96 B12R1.75 CC(=O)Cc1ccccc1S[13CH3] 62a_100011350739_200025704644 [1,0,0,0,0,0|3,0,0]=4 97 B12R1.75 CC(=O)Cc1ccccc1S[13CH3] 62a_200025704644_100011350739 [1,0,0,0,0,0|3,0,0]=4 98 B12R1.75 CC(=O)Nc1ccccc1C#N 11a_100000211148_100015343762 [1,0,0,0,0,0|2,0,1]=4 99 B12R1.75 CC(=O)Nc1ccccc1C#N 1626a_100000211148_100015343762 [1,0,0,0,0,0|2,0,1]=4 100 B12R1.75 CC(=O)Nc1ccccc1CO 22a_100000212039_100000070787 [1,0,0,0,0,0|1,0,1]=3 101 B12R1.75 CC(=O)Nc1ccccc1N[13CH3] 34a_100011193560_200025704644 [1,0,0,0,0,0|3,0,0]=4 102 B12R1.75 CC(=O)Nc1ccccc1O[13CH3] 34a_100000185124_200025704644 [1,0,0,0,0,0|3,0,0]=4 103 B12R1.75 CC(=O)Nc1ccccc1O[13CH3] 7a_100000185124_200025704644 [1,0,0,0,0,0|3,0,0]=4 104 B12R1.75 CC(=O)Nc1ccccc1S[13CH3] 62a_200025704644_100000153524 [1,0,0,0,0,0|3,0,0]=4 105 B12R1.75 CC(=O)Oc1ccccc1S[13CH3] 62a_100000051690_200025704644 [1,0,0,0,0,0|2,0,0]=3 106 B12R1.75 CC(=O)Oc1ccccc1S[13CH3] 62a_200025704644_100000051690 [1,0,0,0,0,0|2,0,0]=3 107 B12R1.75 CC(=O)Oc1cccnc1S[13CH3] 62a_200009815371_200025704644 [1,0,0,0,0,0|3,0,0]=4 108 B12R1.75 CC(=O)Oc1cccnc1S[13CH3] 62a_200025704644_200009815371 [1,0,0,0,0,0|3,0,0]=4 109 B12R1.75 CC(C)Oc1ccccc1CO 34a_100011216872_100000210206 [1,0,0,0,0,0|1,0,2]=4 110 B12R1.75 CC(C)Sc1ccccc1C=O 62a_100000210073_100000210206 [1,0,0,0,0,0|1,1,1]=4 111 B12R1.75 CC(C)Sc1ccccc1C=O 62a_100000210206_100000210073 [1,0,0,0,0,0|1,1,1]=4 112 B12R1.75 CCc1ccccc1NC(=O)C 11a_100000212081_100015343762 [1,0,0,0,0,0|2,0,1]=4 113 B12R1.75 CCc1ccccc1NC(=O)C 1626a_100000212081_100015343762 [1,0,0,0,0,0|2,0,1]=4 114 B12R1.75 CCc1ccccc1NC(=O)C 22a_100000212081_100000070787 [1,0,0,0,0,0|2,0,1]=4 115 B12R1.75 CCc1ccccc1NC(=O)C 527a_100000212081_100103153847 [1,0,0,0,0,0|2,0,1]=4 116 B12R1.75 CN(C)Cc1ccccc1C=O 2230a_100102631434_200009853537 [1,0,0,0,0,0|3,0,0]=4 117 B12R1.75 CN(C)Cc1ccccc1C=O 269982a_100102631434_200009853537 [1,0,0,0,0,0|3,0,0]=4 118 B12R1.75 CNc1ccccc1NC(=O)C 34a_100011193560_200000210301 [1,0,0,0,0,0|3,0,0]=4 119 B12R1.75 COc1ccccc1CC(=O)C 1458a_100000070787_100000210004 [1,0,0,0,0,0|3,0,0]=4 120 B12R1.75 COc1ccccc1CC(=O)C 1458a_100000211604_200000210301 [1,0,0,0,0,0|3,0,0]=4 121 B12R1.75 COc1ccccc1CC(=O)[13CH3] 1458a_100000211604_200025704644 [1,0,0,0,0,0|3,0,0]=4 122 B12R1.75 COc1ccccc1NC(=O)C 11a_100000210025_100015343762 [1,0,0,0,0,0|3,0,0]=4 123 B12R1.75 COc1ccccc1NC(=O)C 1626a_100000210025_100015343762 [1,0,0,0,0,0|3,0,0]=4 124 B12R1.75 COc1ccccc1NC(=O)C 22a_100000210025_100000070787 [1,0,0,0,0,0|3,0,0]=4 125 B12R1.75 COc1ccccc1NC(=O)C 34a_100000185124_200000210301 [1,0,0,0,0,0|3,0,0]=4 126 B12R1.75 COc1ccccc1NC(=O)C 527a_100000210025_100103153847 [1,0,0,0,0,0|3,0,0]=4 127 B12R1.75 COc1ccccc1NC(=O)C 7a_100000185124_200000210301 [1,0,0,0,0,0|3,0,0]=4 128 B12R1.75 CSc1ccccc1CC(=O)C 1458a_100000070787_100000699184 [1,0,0,0,0,0|3,0,0]=4 129 B12R1.75 CSc1ccccc1CC(=O)C 62a_100011350739_200000210301 [1,0,0,0,0,0|3,0,0]=4 130 B12R1.75 CSc1ccccc1CC(=O)C 62a_200000210301_100011350739 [1,0,0,0,0,0|3,0,0]=4 131 B12R1.75 CSc1ccccc1NC(=O)C 11a_100000211160_100015343762 [1,0,0,0,0,0|3,0,0]=4 132 B12R1.75 CSc1ccccc1NC(=O)C 22a_100000211160_100000070787 [1,0,0,0,0,0|3,0,0]=4 133 B12R1.75 CSc1ccccc1NC(=O)C 62a_200000210301_100000153524 [1,0,0,0,0,0|3,0,0]=4 134 B12R1.75 CSc1ccccc1OC(=O)C 62a_100000051690_200000210301 [1,0,0,0,0,0|2,0,0]=3 135 B12R1.75 CSc1ccccc1OC(=O)C 62a_200000210301_100000051690 [1,0,0,0,0,0|2,0,0]=3 136 B12R1.75 CSc1ncccc1OC(=O)C 62a_200000210301_200009815371 [1,0,0,0,0,0|3,0,0]=4 137 B12R1.75 CSc1ncccc1OC(=O)C 62a_200009815371_200000210301 [1,0,0,0,0,0|3,0,0]=4 138 B12R1.75 [13CH3]C(=O)Cc1ccccc1C#N 1458a_100000238613_200025704644 [1,0,0,0,0,0|2,0,1]=4 139 B12R1.283 C=C(C)c1ccccc1OCC 271570a_100000694244_100000230754 [1,0,0,0,0,0|2,0,1]=4 140 B12R1.283 CC=Cc1ccccc1B(O)O 271570a_100016259895_100000693059 [1,0,0,0,0,0|2,0,1]=4 141 B12R1.283 CC=Cc1ccccc1C(=O)C 271570a_100016259895_100000751169 [1,0,0,0,0,0|2,0,0]=3 142 B12R1.283 CC=Cc1ccccc1C(=O)N 271570a_100016259895_100000162227 [1,0,0,0,0,0|2,0,0]=3 143 B12R1.283 CC=Cc1ccccc1C(C)O 271570a_100016259895_100000702211 [1,0,0,0,0,0|2,0,1]=4 144 B12R1.283 CC=Cc1ccccc1S(=O)C 271570a_100016259895_100000734199 [1,0,0,0,0,0|3,0,0]=4 145 B12R1.283 CC=Cc1cccnc1C(=O)C 271570a_100016259895_100012348690 [1,0,0,0,0,0|3,0,0]=4 146 B12R1.283 CC=Cc1cccnc1C(=O)N 271570a_100016259895_200012359670 [1,0,0,0,0,0|3,0,0]=4 147 B12R1.283 CC=Cc1ccncc1C(=O)C 271570a_100016259895_100160469449 [1,0,0,0,0,0|3,0,0]=4 148 B12R1.283 CC=Cc1ccncc1C(=O)N 271570a_100016259895_100000697804 [1,0,0,0,0,0|3,0,0]=4 149 B12R1.283 CC=Cc1cnccc1C(=O)C 271570a_100016259895_100009993184 [1,0,0,0,0,0|3,0,0]=4 150 B12R1.283 CC=Cc1cnccc1C(=O)N 271570a_100016259895_100010205435 [1,0,0,0,0,0|3,0,0]=4 151 B12R1.283 CC=Cc1ncccc1C(=O)C 271570a_100016259895_100000753718 [1,0,0,0,0,0|3,0,0]=4 152 B12R1.283 CC=Cc1ncccc1C(=O)N 271570a_100016259895_100000162199 [1,0,0,0,0,0|3,0,0]=4 153 B12R1.283 CCNc1ccccc1C(=O)N 34a_100000185089_100000210202 [1,0,0,0,0,0|2,0,1]=4 154 B12R1.283 CCOc1ccccc1C(=O)C 1458a_100000211144_200000210301 [1,0,0,0,0,0|1,0,1]=3 155 B12R1.283 CCOc1ccccc1C(=O)N 34a_100000192804_100000210202 [1,0,0,0,0,0|1,0,1]=3 156 B12R1.283 CCOc1ccccc1C(=O)N 7a_100000192804_100000210202 [1,0,0,0,0,0|1,0,1]=3 157 B12R1.283 CCOc1ccccc1C(=O)[13CH3] 1458a_100000211144_200025704644 [1,0,0,0,0,0|1,0,1]=3 158 B12R1.283 CCOc1ccccc1C(=O)[O-] 7a_100015234032_100000210202 [1,0,0,0,0,0|0,0,2]=3 159 B12R1.283 CCOc1ccccc1C(=S)N 7a_100000745089_100000210202 [1,0,0,0,0,0|1,1,1]=4 160 B12R1.283 CCOc1ccccc1C(C)O 34a_200011232679_100000210202 [1,0,0,0,0,0|1,0,2]=4 161 B12R1.283 CCOc1ccccc1C(C)O 7a_200011232679_100000210202 [1,0,0,0,0,0|1,0,2]=4 162 B12R1.283 CCOc1ccccc1[N+](=O)[O-] 34a_100000186319_100000210202 [1,0,0,0,0,0|1,0,2]=4 163 B12R1.283 CCOc1ccccc1[N+](=O)[O-] 7a_100000186319_100000210202 [1,0,0,0,0,0|1,0,2]=4 164 B12R1.283 CCOc1cccnc1C(=O)C 34a_100000087166_100000210202 [1,0,0,0,0,0|2,0,1]=4 165 B12R1.283 CCOc1cccnc1C(=O)C 7a_100000087166_100000210202 [1,0,0,0,0,0|2,0,1]=4 166 B12R1.283 CCOc1cccnc1C(=O)N 34a_200011215183_100000210202 [1,0,0,0,0,0|2,0,1]=4 167 B12R1.283 CCOc1cccnc1C(=O)N 7a_200011215183_100000210202 [1,0,0,0,0,0|2,0,1]=4 168 B12R1.283 CCOc1ccncc1C(=O)N 34a_200011998761_100000210202 [1,0,0,0,0,0|2,0,1]=4 169 B12R1.283 CCOc1cnccc1C(=O)C 7a_100009872882_100000210202 [1,0,0,0,0,0|2,0,1]=4 170 B12R1.283 CCOc1cnccc1C(=O)N 7a_100012022987_100000210202 [1,0,0,0,0,0|2,0,1]=4 171 B12R1.283 CCSc1ccccc1C(=O)C 1458a_100000195471_200000210301 [1,0,0,0,0,0|1,1,1]=4 172 B12R1.283 CCSc1ccccc1C(=O)C 62a_100000751169_100000210202 [1,0,0,0,0,0|1,1,1]=4 173 B12R1.283 CCSc1ccccc1C(=O)N 62a_100000162227_100000210202 [1,0,0,0,0,0|1,1,1]=4 174 B12R1.283 CCSc1ccccc1C(=O)N 62a_100000210202_100000162227 [1,0,0,0,0,0|1,1,1]=4 175 B12R1.283 CCSc1ccccc1C(=O)O 62a_100000210202_100000734275 [1,0,0,0,0,0|0,1,1]=3 176 B12R1.283 CCSc1ccccc1C(=O)O 62a_202125556159_100000210202 [1,0,0,0,0,0|0,1,1]=3 177 B12R1.283 CCSc1ccccc1C(=O)[13CH3] 1458a_100000195471_200025704644 [1,0,0,0,0,0|1,1,1]=4 178 B12R1.283 CNCc1ccccc1C(=O)O 269956a_100015183376_200000210301 [1,0,0,0,0,0|2,0,0]=3 179 B12R1.283 COCc1ccccc1C(=O)C 1458a_100000737999_200000210301 [1,0,0,0,0,0|3,0,0]=4 180 B12R1.283 COCc1ccccc1C(=O)[13CH3] 1458a_100000737999_200025704644 [1,0,0,0,0,0|3,0,0]=4 181 B12R1.283 NC(=O)c1ccccc1OCF 34a_100000192804_100015361967 [1,0,0,0,0,0|2,0,1]=4 182 B12R1.283 NC(=O)c1ccccc1OCF 7a_100000192804_100015361967 [1,0,0,0,0,0|2,0,1]=4 183 B12R1.283 O=C(O)c1ccccc1SCF 62a_100015361967_100000734275 [1,0,0,0,0,0|1,1,1]=4 184 B12R1.283 O=C(O)c1ccccc1SCF 62a_202125556159_100015361967 [1,0,0,0,0,0|1,1,1]=4 185 B12R1.283 O=C([O-])c1ccccc1OCF 7a_100015234032_100015361967 [1,0,0,0,0,0|1,0,2]=4 186 B12R1.283 [13CH3]NCc1ccccc1C(=O)O 269956a_100015183376_200025704644 [1,0,0,0,0,0|2,0,0]=3 187 B14R1.164 C=C(C)c1ccc(cc1NC(=O)C)C 271570a_100000694244_100000182586 [0,1,0,0,0,0|3,0,0]=4 188 B14R1.164 C=C(C)c1ccc(cc1NC(=O)C)F 271570a_100000694244_100012558231 [0,1,0,0,0,0|3,0,0]=4 189 B14R1.164 C=C(C)c1ccc(cc1OC(=O)C)F 271570a_100000694244_200015685721 [0,1,0,0,0,0|2,0,0]=3 190 B14R1.164 CC(=Cc1cc(ccc1C(=O)N)Br)C 271570a_100102525489_100009815748 [0,1,0,0,0,0|3,0,0]=4 191 B14R1.164 CC(=Cc1cc(ccc1C(=O)N)F)C 271570a_100102525489_100000206404 [0,1,0,0,0,0|3,0,0]=4 192 B14R1.164 CC(=O)Cc1cc(ccc1B(O)O)F 1458a_100000070787_200009816803 [0,1,0,0,0,0|2,0,1]=4 193 B14R1.164 CC(=O)Cc1cc(ccc1[N+](=O)[O-])Br 1458a_100000070787_100010245524 [0,1,0,0,0,0|2,0,1]=4 194 B14R1.164 CC(=O)Cc1cc(ccc1[N+](=O)[O-])Br 1458a_100012339855_200000210301 [0,1,0,0,0,0|2,0,1]=4 195 B14R1.164 CC(=O)Cc1cc(ccc1[N+](=O)[O-])C 1458a_100000070787_200000039114 [0,1,0,0,0,0|2,0,1]=4 196 B14R1.164 CC(=O)Cc1cc(ccc1[N+](=O)[O-])C 1458a_100011998747_200000210301 [0,1,0,0,0,0|2,0,1]=4 197 B14R1.164 CC(=O)Cc1cc(ccc1[N+](=O)[O-])Cl 1458a_100000070787_100000765840 [0,1,0,0,0,0|2,0,1]=4 198 B14R1.164 CC(=O)Cc1cc(ccc1[N+](=O)[O-])Cl 1458a_100000708805_200000210301 [0,1,0,0,0,0|2,0,1]=4 199 B14R1.164 CC(=O)Cc1cc(ccc1[N+](=O)[O-])F 1458a_100000070787_100000740372 [0,1,0,0,0,0|2,0,1]=4 200 B14R1.164 CC(=O)Nc1cc(ccc1C(=O)C)Br 1458a_100000747254_200000210301 [0,1,0,0,0,0|2,0,0]=3 201 B14R1.164 CC(=O)Nc1cc(ccc1C(=O)C)Cl 1458a_100000195377_200000210301 [0,1,0,0,0,0|2,0,0]=3 202 B14R1.164 CC(=O)Nc1cc(ccc1C(=O)C)F 1458a_100000222213_200000210301 [0,1,0,0,0,0|2,0,0]=3 203 B14R1.164 CC(=O)Nc1cc(ccc1C(=O)N)Br 1626a_100012349972_100015343762 [0,1,0,0,0,0|2,0,0]=3 204 B14R1.164 CC(=O)Nc1cc(ccc1C(=O)N)C 11a_100011219537_100015343762 [0,1,0,0,0,0|2,0,0]=3 205 B14R1.164 CC(=O)Nc1cc(ccc1C(=O)N)C 1626a_100011219537_100015343762 [0,1,0,0,0,0|2,0,0]=3 206 B14R1.164 CC(=O)Nc1cc(ccc1C(=O)N)C 22a_100011219537_100000070787 [0,1,0,0,0,0|2,0,0]=3 207 B14R1.164 CC(=O)Nc1cc(ccc1C(=O)N)Cl 11a_100000738103_100015343762 [0,1,0,0,0,0|2,0,0]=3 208 B14R1.164 CC(=O)Nc1cc(ccc1C(=O)N)Cl 1626a_100000738103_100015343762 [0,1,0,0,0,0|2,0,0]=3 209 B14R1.164 CC(=O)Nc1cc(ccc1C(=O)N)F 11a_100011298637_100015343762 [0,1,0,0,0,0|2,0,0]=3 210 B14R1.164 CC(=O)Nc1cc(ccc1C(=O)N)F 1626a_100011298637_100015343762 [0,1,0,0,0,0|2,0,0]=3 211 B14R1.164 CC(=O)Nc1cc(ccc1C(=O)N)F 22a_100011298637_100000070787 [0,1,0,0,0,0|2,0,0]=3 212 B14R1.164 CC(=O)Nc1cc(ccc1C(=O)N)O 22a_100012186684_100000070787 [0,1,0,0,0,0|2,0,0]=3 213 B14R1.164 CC(=O)Nc1cc(ccc1C(=O)[13CH3])Br 1458a_100000747254_200025704644 [0,1,0,0,0,0|2,0,0]=3 214 B14R1.164 CC(=O)Nc1cc(ccc1C(=O)[13CH3])Cl 1458a_100000195377_200025704644 [0,1,0,0,0,0|2,0,0]=3 215 B14R1.164 CC(=O)Nc1cc(ccc1C(=O)[13CH3])F 1458a_100000222213_200025704644 [0,1,0,0,0,0|2,0,0]=3 216 B14R1.164 CC(=O)Nc1cc(ccc1C(=S)N)Cl 1626a_200011805470_100015343762 [0,1,0,0,0,0|2,1,0]=4 217 B14R1.164 CC(=O)c1ccc(cc1C=C(C)C)C 271570a_100102525489_100012353930 [0,1,0,0,0,0|3,0,0]=4 218 B14R1.164 CC(=O)c1ccc(cc1C=C(C)C)F 271570a_100102525489_100000686192 [0,1,0,0,0,0|3,0,0]=4 219 B14R1.164 CC(=O)c1ccc(cc1C=C(C)C)O 271570a_100102525489_100012340537 [0,1,0,0,0,0|3,0,0]=4 220 B14R1.164 CC(=O)c1ccc(cc1OC(C)C)Br 7a_100000188348_100000210206 [0,1,0,0,0,0|2,0,1]=4 221 B14R1.164 CC(=O)c1ccc(cc1OC(C)C)C 34a_100000234885_100000210206 [0,1,0,0,0,0|2,0,1]=4 222 B14R1.164 CC(=O)c1ccc(cc1OC(C)C)C 7a_100000234885_100000210206 [0,1,0,0,0,0|2,0,1]=4 223 B14R1.164 CC(=O)c1ccc(cc1OC(C)C)Cl 34a_100000061402_100000210206 [0,1,0,0,0,0|2,0,1]=4 224 B14R1.164 CC(=O)c1ccc(cc1OC(C)C)Cl 7a_100000061402_100000210206 [0,1,0,0,0,0|2,0,1]=4 225 B14R1.164 CC(=O)c1ccc(cc1OC(C)C)F 7a_100011215782_100000210206 [0,1,0,0,0,0|2,0,1]=4 226 B14R1.164 CC(C)Oc1cc(ccc1C(=O)N)Br 34a_100011550861_100000210206 [0,1,0,0,0,0|2,0,1]=4 227 B14R1.164 CC(C)Oc1cc(ccc1C(=O)N)Br 7a_100011550861_100000210206 [0,1,0,0,0,0|2,0,1]=4 228 B14R1.164 CC(C)Oc1cc(ccc1C(=O)N)Cl 34a_100000192836_100000210206 [0,1,0,0,0,0|2,0,1]=4 229 B14R1.164 CC(C)Oc1cc(ccc1C(=O)N)Cl 7a_100000192836_100000210206 [0,1,0,0,0,0|2,0,1]=4 230 B14R1.164 CC(C)Oc1cc(ccc1C(=O)N)N 34a_100000223280_100000210206 [0,1,0,0,0,0|2,0,1]=4 231 B14R1.164 CC(C)Oc1cc(ccc1C(=O)N)N 7a_100000223280_100000210206 [0,1,0,0,0,0|2,0,1]=4 232 B14R1.164 Cc1ccc(c(c1)CC(=O)[13CH3])[N+](=O)[O-] 1458a_100011998747_200025704644 [0,1,0,0,0,0|2,0,1]=4 233 B14R1.164 Cc1ccc(c(c1)OC(C)C)C(=O)N 34a_100000192831_100000210206 [0,1,0,0,0,0|2,0,1]=4 234 B14R1.164 Cc1ccc(c(c1)OC(C)C)C(=O)N 7a_100000192831_100000210206 [0,1,0,0,0,0|2,0,1]=4 235 B14R1.164 [13CH3]C(=O)Cc1cc(ccc1[N+](=O)[O-])Br 1458a_100012339855_200025704644 [0,1,0,0,0,0|2,0,1]=4 236 B14R1.164 [13CH3]C(=O)Cc1cc(ccc1[N+](=O)[O-])Cl 1458a_100000708805_200025704644 [0,1,0,0,0,0|2,0,1]=4 237 B14R1.429 CC(=C(C)c1ccccc1C(=O)N)C 271570a_200000049429_100000162227 [0,1,0,0,0,0|3,0,0]=4 238 B14R1.429 CC(=O)N(C)c1ccccc1C(=O)N 11a_100000184419_100015343762 [0,1,0,0,0,0|2,0,0]=3 239 B14R1.429 CC(=O)N(C)c1ccccc1C(=O)N 1626a_100000184419_100015343762 [0,1,0,0,0,0|2,0,0]=3 240 B14R1.429 CC(=O)N(C)c1ccccc1C(=O)[13CH3] 1458a_100000242783_200025704644 [0,1,0,0,0,0|2,0,0]=3 241 B14R1.429 CC(=O)c1ccccc1C(=C(C)C)C 271570a_200000049429_100000751169 [0,1,0,0,0,0|3,0,0]=4 242 B14R1.429 CC(=O)c1ccccc1N(C)C(=O)C 1458a_100000242783_200000210301 [0,1,0,0,0,0|2,0,0]=3 243 B14R1.744 CC(=Cc1ccccc1C(=O)NN)C 271570a_100102525489_100000190081 [0,1,0,0,0,0|3,0,0]=4 244 B14R1.744 CC(=NO)c1ccccc1OC(C)C 34a_100000164216_100000210206 [0,1,0,0,0,0|2,0,1]=4 245 B14R1.744 CC(C)Oc1ccccc1C(=O)CBr 7a_100000188908_100000210206 [0,1,0,0,0,0|2,0,1]=4 246 B14R1.744 CC(C)Oc1ccccc1C(=O)CF 1458a_100000244644_100015361967 [0,1,0,0,0,0|2,0,1]=4 247 B14R1.744 CC(C)Oc1ccccc1C(=O)NN 34a_100000186518_100000210206 [0,1,0,0,0,0|2,0,1]=4 248 B14R1.744 CC(C)Oc1ccccc1C(=O)NO 34a_100000188472_100000210206 [0,1,0,0,0,0|1,0,1]=3 249 B14R1.744 CC(C)Sc1ccccc1C(=O)O[Na] 62a_100000210206_114855342371 [0,1,0,0,0,0|1,1,1]=4 250 B14R1.744 CCC(=O)c1ccccc1OC(C)C 1458a_100000244644_100000210202 [0,1,0,0,0,0|2,0,1]=4 251 B14R1.744 CCC(=O)c1ccccc1OC(C)C 7a_100000184720_100000210206 [0,1,0,0,0,0|2,0,1]=4 252 B14R1.744 CNC(=O)c1ccccc1C=C(C)C 271570a_100102525489_100000155073 [0,1,0,0,0,0|3,0,0]=4 253 B14R1.744 CNC(=O)c1ccccc1NC(=O)C 11a_100000185696_100015343762 [0,1,0,0,0,0|2,0,0]=3 254 B14R1.744 CNC(=O)c1ccccc1NC(=O)C 1626a_100000185696_100015343762 [0,1,0,0,0,0|2,0,0]=3 255 B14R1.744 CNC(=O)c1ccccc1NC(=O)C 22a_100000185696_100000070787 [0,1,0,0,0,0|2,0,0]=3 256 B14R1.744 CNC(=O)c1ccccc1OC(=O)C 240690a_100102657272_100000210466 [0,1,0,0,0,0|1,0,0]=2 257 B14R1.744 CNC(=O)c1ccccc1OC(C)C 11a_106832991635_100000244644 [0,1,0,0,0,0|2,0,1]=4 258 B14R1.744 CNC(=O)c1ccccc1OC(C)C 1626a_100102657272_100000244644 [0,1,0,0,0,0|2,0,1]=4 259 B14R1.744 CNC(=O)c1ccccc1OC(C)C 240690a_100102657272_100000244644 [0,1,0,0,0,0|2,0,1]=4 260 B14R1.744 CNC(=O)c1ccccc1OC(C)C 34a_100000185920_100000210206 [0,1,0,0,0,0|2,0,1]=4 261 B14R1.744 CNC(=O)c1ccccc1OC(C)C 527a_100102657272_100000244644 [0,1,0,0,0,0|2,0,1]=4 262 B14R1.744 CNC(=O)c1ccccc1OC(C)C 7a_100000185920_100000210206 [0,1,0,0,0,0|2,0,1]=4 263 B14R1.744 COC(=O)c1ccccc1C=C(C)C 271570a_100102525489_100000148710 [0,1,0,0,0,0|2,0,0]=3 264 B14R1.744 COC(=O)c1ccccc1CC(=O)C 1458a_100000070787_100000744672 [0,1,0,0,0,0|1,0,0]=2 265 B14R1.744 COC(=O)c1ccccc1CC(=O)C 1458a_100000695166_200000210301 [0,1,0,0,0,0|1,0,0]=2 266 B14R1.744 COC(=O)c1ccccc1CC(=O)[13CH3] 1458a_100000695166_200025704644 [0,1,0,0,0,0|1,0,0]=2 267 B14R1.744 COC(=O)c1ccccc1CN(C)C 2230a_100102631434_100000744672 [0,1,0,0,0,0|3,0,0]=4 268 B14R1.744 COC(=O)c1ccccc1CN(C)C 269982a_100102631434_100000744672 [0,1,0,0,0,0|3,0,0]=4 269 B14R1.744 COC(=O)c1ccccc1OC(C)C 7a_100000150335_100000210206 [0,1,0,0,0,0|1,0,1]=3 270 B14R1.744 COC(=O)c1ccccc1SC(C)C 62a_100000148710_100000210206 [0,1,0,0,0,0|1,1,1]=4 271 B14R1.744 COC(=O)c1ccccc1SC(C)C 62a_100000210206_100000148710 [0,1,0,0,0,0|1,1,1]=4 272 B14R1.744 COC(=O)c1cccnc1C=C(C)C 271570a_100102525489_100000150852 [0,1,0,0,0,0|3,0,0]=4 273 B14R1.744 COC(=O)c1cccnc1CC(=O)C 1458a_100000070787_100000709840 [0,1,0,0,0,0|2,0,0]=3 274 B14R1.744 COC(=O)c1ccncc1C=C(C)C 271570a_100102525489_100010008606 [0,1,0,0,0,0|3,0,0]=4 275 B14R1.744 COC(=O)c1cnccc1C=C(C)C 271570a_100102525489_100020629055 [0,1,0,0,0,0|3,0,0]=4 276 B14R1.744 COC(=O)c1ncccc1C=C(C)C 271570a_100102525489_100011935214 [0,1,0,0,0,0|3,0,0]=4 277 B14R1.744 COC(=O)c1ncccc1CC(=O)C 1458a_100000070787_100010177730 [0,1,0,0,0,0|2,0,0]=3 278 B14R1.744 COC(=O)c1ncccc1OC(C)C 34a_100000744052_100000210206 [0,1,0,0,0,0|2,0,1]=4 279 B14R1.744 COC(=O)c1ncccc1OC(C)C 7a_100000744052_100000210206 [0,1,0,0,0,0|2,0,1]=4 280 B14R1.815 CC(=O)Cc1ccccc1S(=O)(=O)C 1458a_100000070787_100009814939 [0,1,0,0,0,0|2,0,1]=4 281 B14R1.815 CC(=O)Cc1ccccc1S(=O)(=O)N 1458a_100000070787_200137420970 [0,1,0,0,0,0|2,0,1]=4 282 B14R1.815 CC(=O)Nc1ccccc1C(C)(C)O 1626a_100000081495_100015343762 [0,1,0,0,0,0|2,0,1]=4 283 B14R1.815 CC(=O)Nc1ccccc1C(C)(C)O 22a_100000081495_100000070787 [0,1,0,0,0,0|2,0,1]=4 284 B14R1.815 CC(=O)Nc1ccccc1C(C)(C)O 527a_100000081495_100103153847 [0,1,0,0,0,0|2,0,1]=4 285 B14R1.815 CC(=O)Nc1ccccc1P(=O)(C)C 11a_100010749338_100015343762 [0,1,0,0,0,0|3,0,0]=4 286 B14R1.815 CC(=O)Nc1ccccc1P(=O)(C)C 1626a_100010749338_100015343762 [0,1,0,0,0,0|3,0,0]=4 287 B14R1.815 CC(=O)Nc1ccccc1P(=O)(C)C 22a_100010749338_100000070787 [0,1,0,0,0,0|3,0,0]=4 288 B14R1.815 CC(=O)Nc1ccccc1S(=O)(=O)C 11a_100000241000_100015343762 [0,1,0,0,0,0|2,0,1]=4 289 B14R1.815 CC(=O)Nc1ccccc1S(=O)(=O)C 1626a_100000241000_100015343762 [0,1,0,0,0,0|2,0,1]=4 290 B14R1.3302 C#CC(C)Oc1ccccc1C(=O)N 34a_100000192804_200000035995 [0,1,0,0,0,0|2,0,1]=4 291 B14R1.3302 C#CC(C)Sc1ccccc1C(=O)O 62a_200000035995_100000734275 [0,1,0,0,0,0|1,1,1]=4 292 B14R1.3302 C=C(C)c1ccccc1CC(=O)NC 271570a_100000694244_200009816160 [0,1,0,0,0,0|3,0,0]=4 293 B14R1.3302 C=C(C)c1ccccc1CC(=O)OC 271570a_100000694244_100000699816 [0,1,0,0,0,0|3,0,0]=4 294 B14R1.3302 C=C(C)c1ccccc1NC(=O)CC 11a_100000037685_100000210414 [0,1,0,0,0,0|3,0,0]=4 295 B14R1.3302 C=C(C)c1ccccc1NC(=O)CC 1626a_100000037685_100000210414 [0,1,0,0,0,0|3,0,0]=4 296 B14R1.3302 C=C(C)c1ccccc1NC(=O)CC 22a_100000037685_100000210414 [0,1,0,0,0,0|3,0,0]=4 297 B14R1.3302 C=C(C)c1ccccc1NC(=O)CC 271570a_100000694244_100000153536 [0,1,0,0,0,0|3,0,0]=4 298 B14R1.3302 C=C(C)c1ccccc1NC(=O)CO 22a_100000037685_100000210174 [0,1,0,0,0,0|3,0,0]=4 299 B14R1.3302 C=C(C)c1ccccc1NC(=O)NC 2430a_100000037685_100102657272 [0,1,0,0,0,0|3,0,0]=4 300 B14R1.3302 C=C(C)c1ccccc1NC(=O)OC 271570a_100000694244_100000216184 [0,1,0,0,0,0|3,0,0]=4 301 B14R1.3302 C=CC(=O)Nc1ccccc1C(=O)N 1626a_100000185089_100000185746 [0,1,0,0,0,0|2,0,1]=4 302 B14R1.3302 C=CC(=O)Nc1ccccc1C(=O)N 22a_100000185089_100000185746 [0,1,0,0,0,0|2,0,1]=4 303 B14R1.3302 C=CC(C)Sc1ccccc1C(=O)O 62a_100011215867_100000734275 [0,1,0,0,0,0|1,1,1]=4 304 B14R1.3302 CC(C#N)Oc1ccccc1C(=O)N 7a_100000192804_100000703298 [0,1,0,0,0,0|2,0,1]=4 305 B14R1.3302 CC(C#N)Oc1ccccc1C(=O)[O-] 7a_100015234032_100000703298 [0,1,0,0,0,0|1,0,2]=4 306 B14R1.3302 CC(C#N)Sc1ccccc1C(=O)O 62a_100000703298_100000734275 [0,1,0,0,0,0|1,1,1]=4 307 B14R1.3302 CC(C#N)Sc1ccccc1C(=O)O 62a_202125556159_100000703298 [0,1,0,0,0,0|1,1,1]=4 308 B14R1.3302 CC(CO)Oc1ccccc1C(=O)N 34a_100000192804_100012180447 [0,1,0,0,0,0|1,0,2]=4 309 B14R1.3302 CC(CO)Oc1ccccc1C(=O)N 7a_100000192804_100012180447 [0,1,0,0,0,0|1,0,2]=4 310 B14R1.3302 CC(CO)Oc1ccccc1C(=O)[O-] 7a_100015234032_100012180447 [0,1,0,0,0,0|0,0,3]=4 311 B14R1.3302 CC(CO)Sc1ccccc1C(=O)O 62a_100012180447_100000734275 [0,1,0,0,0,0|0,1,2]=4 312 B14R1.3302 CCC(=O)Cc1ccccc1B(O)O 1458a_100000210414_100009814197 [0,1,0,0,0,0|2,0,1]=4 313 B14R1.3302 CCC(=O)Cc1ccccc1[N+](=O)[O-] 1458a_100000188737_100000210202 [0,1,0,0,0,0|2,0,1]=4 314 B14R1.3302 CCC(=O)Cc1ccccc1[N+](=O)[O-] 1458a_100000210414_100000181388 [0,1,0,0,0,0|2,0,1]=4 315 B14R1.3302 CCC(=O)Nc1ccccc1C(=O)C 1458a_100000194446_200000210301 [0,1,0,0,0,0|2,0,0]=3 316 B14R1.3302 CCC(=O)Nc1ccccc1C(=O)N 11a_100000185089_100000210414 [0,1,0,0,0,0|2,0,0]=3 317 B14R1.3302 CCC(=O)Nc1ccccc1C(=O)N 1626a_100000185089_100000210414 [0,1,0,0,0,0|2,0,0]=3 318 B14R1.3302 CCC(=O)Nc1ccccc1C(=O)N 22a_100000185089_100000210414 [0,1,0,0,0,0|2,0,0]=3 319 B14R1.3302 CCC(=O)Nc1ccccc1C(=O)[13CH3] 1458a_100000194446_200025704644 [0,1,0,0,0,0|2,0,0]=3 320 B14R1.3302 CCC(=O)Nc1ccccc1C(=S)N 1626a_100000206033_100000210414 [0,1,0,0,0,0|2,1,0]=4 321 B14R1.3302 CCC(C)Oc1ccccc1C(=O)N 34a_100000192804_100011215416 [0,1,0,0,0,0|2,0,1]=4 322 B14R1.3302 CCC(C)Oc1ccccc1C(=O)N 7a_100000192804_100000758301 [0,1,0,0,0,0|2,0,1]=4 323 B14R1.3302 CCC(C)Oc1ccccc1C(=O)[O-] 7a_100015234032_100000758301 [0,1,0,0,0,0|1,0,2]=4 324 B14R1.3302 CCC(C)Sc1ccccc1C(=O)O 62a_100000758301_100000734275 [0,1,0,0,0,0|1,1,1]=4 325 B14R1.3302 CCC(C)Sc1ccccc1C(=O)O 62a_202125556159_100000758301 [0,1,0,0,0,0|1,1,1]=4 326 B14R1.3302 CNC(=O)Cc1ccccc1[N+](=O)[O-] 11a_106832991635_100000188737 [0,1,0,0,0,0|2,0,1]=4 327 B14R1.3302 CNC(=O)Cc1ccccc1[N+](=O)[O-] 1626a_100102657272_100000188737 [0,1,0,0,0,0|2,0,1]=4 328 B14R1.3302 CNC(=O)Cc1ccccc1[N+](=O)[O-] 240690a_100102657272_100000188737 [0,1,0,0,0,0|2,0,1]=4 329 B14R1.3302 CNC(=O)Cc1ccccc1[N+](=O)[O-] 527a_100102657272_100000188737 [0,1,0,0,0,0|2,0,1]=4 330 B14R1.3302 CNC(=O)Nc1ccccc1C(=S)N 2430a_100000206033_100102657272 [0,1,0,0,0,0|2,1,0]=4 331 B14R1.3302 COC(=O)Cc1ccccc1C(=O)C 1458a_100000726341_200000210301 [0,1,0,0,0,0|2,0,0]=3 332 B14R1.3302 COC(=O)Cc1ccccc1C(=O)[13CH3] 1458a_100000726341_200025704644 [0,1,0,0,0,0|2,0,0]=3 333 B14R1.3302 COC(C)Sc1ccccc1C(=O)O 62a_100009879195_100000734275 [0,1,0,0,0,0|0,1,2]=4 334 B14R1.3302 COC(C)Sc1ccccc1C(=O)O 62a_202125556159_100009879195 [0,1,0,0,0,0|0,1,2]=4 335 B14R1.3302 C[C@H](CO)Sc1ccccc1C(=O)O 62a_100016084084_100000734275 [0,1,0,0,0,0|0,1,2]=4 336 B14R1.3302 C[C@H](CO)Sc1ccccc1C(=O)O 62a_202125556159_100016084084 [0,1,0,0,0,0|0,1,2]=4 337 B14R1.3302 NC(=O)c1ccccc1NC(=O)CO 22a_100000185089_100000210174 [0,1,0,0,0,0|2,0,0]=3 338 B14R1.3302 O=C(CF)Cc1ccccc1[N+](=O)[O-] 1458a_100000188737_100015361967 [0,1,0,0,0,0|2,0,1]=4 339 B14R1.3302 O=C(CO)Cc1ccccc1B(O)O 1458a_100000210174_100009814197 [0,1,0,0,0,0|2,0,1]=4 340 B14R1.3302 O=C(CO)Cc1ccccc1[N+](=O)[O-] 1458a_100000210174_100000181388 [0,1,0,0,0,0|2,0,1]=4 341 B14R1.4894 C=C(C)c1cccc(c1NC(=O)C)Cl 11a_200135500832_100015343762 [0,1,0,0,0,0|3,0,0]=4 342 B14R1.4894 C=C(C)c1cccc(c1NC(=O)C)Cl 1626a_200135500832_100015343762 [0,1,0,0,0,0|3,0,0]=4 343 B14R1.4894 CC(=Cc1c(cccc1C(=O)N)C)C 271570a_100102525489_200011409216 [0,1,0,0,0,0|3,0,0]=4 344 B14R1.4894 CC(=Cc1c(cccc1C(=O)N)F)C 271570a_100102525489_200012351544 [0,1,0,0,0,0|3,0,0]=4 345 B14R1.4894 CC(=O)Cc1c(cccc1[N+](=O)[O-])Br 1458a_100000070787_100011273477 [0,1,0,0,0,0|2,0,1]=4 346 B14R1.4894 CC(=O)Cc1c(cccc1[N+](=O)[O-])Br 1458a_100010230253_200000210301 [0,1,0,0,0,0|2,0,1]=4 347 B14R1.4894 CC(=O)Cc1c(cccc1[N+](=O)[O-])C 1458a_100000070787_100010254497 [0,1,0,0,0,0|2,0,1]=4 348 B14R1.4894 CC(=O)Cc1c(cccc1[N+](=O)[O-])C 1458a_100011995876_200000210301 [0,1,0,0,0,0|2,0,1]=4 349 B14R1.4894 CC(=O)Cc1c(cccc1[N+](=O)[O-])Cl 1458a_100000070787_100000753779 [0,1,0,0,0,0|2,0,1]=4 350 B14R1.4894 CC(=O)Cc1c(cccc1[N+](=O)[O-])F 1458a_100000070787_100000751461 [0,1,0,0,0,0|2,0,1]=4 351 B14R1.4894 CC(=O)Cc1c(cccc1[N+](=O)[O-])F 1458a_100012180802_200000210301 [0,1,0,0,0,0|2,0,1]=4 352 B14R1.4894 CC(=O)Nc1c(cccc1C(=O)N)Br 1626a_100010144993_100015343762 [0,1,0,0,0,0|2,0,0]=3 353 B14R1.4894 CC(=O)Nc1c(cccc1C(=O)N)C 1626a_100000223273_100015343762 [0,1,0,0,0,0|2,0,0]=3 354 B14R1.4894 CC(=O)Nc1c(cccc1C(=O)N)Cl 1626a_200011997947_100015343762 [0,1,0,0,0,0|2,0,0]=3 355 B14R1.4894 CC(=O)Nc1c(cccc1C(=O)N)F 1626a_100011722151_100015343762 [0,1,0,0,0,0|2,0,0]=3 356 B14R1.4894 CC(=O)c1cccc(c1C=C(C)C)F 271570a_100102525489_100012362612 [0,1,0,0,0,0|3,0,0]=4 357 B14R1.4894 CC(=O)c1cccc(c1OC(C)C)C 34a_100009847209_100000210206 [0,1,0,0,0,0|2,0,1]=4 358 B14R1.4894 CC(=O)c1cccc(c1OC(C)C)C 7a_100009847209_100000210206 [0,1,0,0,0,0|2,0,1]=4 359 B14R1.4894 CC(=O)c1cccc(c1OC(C)C)Cl 34a_100000043392_100000210206 [0,1,0,0,0,0|2,0,1]=4 360 B14R1.4894 CC(=O)c1cccc(c1OC(C)C)Cl 7a_100000043392_100000210206 [0,1,0,0,0,0|2,0,1]=4 361 B14R1.4894 CC(=O)c1cccc(c1OC(C)C)F 34a_100011246037_100000210206 [0,1,0,0,0,0|2,0,1]=4 362 B14R1.4894 CC(=O)c1cccc(c1OC(C)C)F 7a_100011246037_100000210206 [0,1,0,0,0,0|2,0,1]=4 363 B14R1.4894 CC(C)Oc1c(cccc1C(=O)N)Cl 34a_100009868166_100000210206 [0,1,0,0,0,0|2,0,1]=4 364 B14R1.4894 CC(C)Oc1c(cccc1C(=O)N)Cl 7a_100009868166_100000210206 [0,1,0,0,0,0|2,0,1]=4 365 B14R1.4894 CC(C)Oc1c(cccc1C(=O)N)F 34a_100009886295_100000210206 [0,1,0,0,0,0|2,0,1]=4 366 B14R1.4894 CC(C)Oc1c(cccc1C(=O)N)F 7a_100009886295_100000210206 [0,1,0,0,0,0|2,0,1]=4 367 B14R1.4894 Cc1cccc(c1CC(=O)[13CH3])[N+](=O)[O-] 1458a_100011995876_200025704644 [0,1,0,0,0,0|2,0,1]=4 368 B14R1.4894 [13CH3]C(=O)Cc1c(cccc1[N+](=O)[O-])Br 1458a_100010230253_200025704644 [0,1,0,0,0,0|2,0,1]=4 369 B14R1.4894 [13CH3]C(=O)Cc1c(cccc1[N+](=O)[O-])F 1458a_100012180802_200025704644 [0,1,0,0,0,0|2,0,1]=4 370 B14R1.4926 CC(=Cc1cccc(c1C(=O)N)Cl)C 271570a_100102525489_100010147686 [0,1,0,0,0,0|3,0,0]=4 371 B14R1.4926 CC(=Cc1cccc(c1C(=O)N)F)C 271570a_100102525489_100011219063 [0,1,0,0,0,0|3,0,0]=4 372 B14R1.4926 CC(=O)Cc1cccc(c1[N+](=O)[O-])Br 1458a_100000070787_100010145487 [0,1,0,0,0,0|2,0,1]=4 373 B14R1.4926 CC(=O)Cc1cccc(c1[N+](=O)[O-])C 1458a_100000070787_100010188692 [0,1,0,0,0,0|2,0,1]=4 374 B14R1.4926 CC(=O)Cc1cccc(c1[N+](=O)[O-])C 1458a_100011934920_200000210301 [0,1,0,0,0,0|2,0,1]=4 375 B14R1.4926 CC(=O)Cc1cccc(c1[N+](=O)[O-])Cl 1458a_100000070787_100009990124 [0,1,0,0,0,0|2,0,1]=4 376 B14R1.4926 CC(=O)Cc1cccc(c1[N+](=O)[O-])F 1458a_100009842643_200000210301 [0,1,0,0,0,0|2,0,1]=4 377 B14R1.4926 CC(=O)Nc1cccc(c1C(=O)C)Cl 1458a_200011219801_200000210301 [0,1,0,0,0,0|2,0,0]=3 378 B14R1.4926 CC(=O)Nc1cccc(c1C(=O)C)F 1458a_100000756107_200000210301 [0,1,0,0,0,0|2,0,0]=3 379 B14R1.4926 CC(=O)Nc1cccc(c1C(=O)N)C 11a_100102558177_100015343762 [0,1,0,0,0,0|2,0,0]=3 380 B14R1.4926 CC(=O)Nc1cccc(c1C(=O)N)C 1626a_100102558177_100015343762 [0,1,0,0,0,0|2,0,0]=3 381 B14R1.4926 CC(=O)Nc1cccc(c1C(=O)N)C 22a_100102558177_100000070787 [0,1,0,0,0,0|2,0,0]=3 382 B14R1.4926 CC(=O)Nc1cccc(c1C(=O)N)Cl 11a_100000764435_100015343762 [0,1,0,0,0,0|2,0,0]=3 383 B14R1.4926 CC(=O)Nc1cccc(c1C(=O)N)Cl 1626a_100000764435_100015343762 [0,1,0,0,0,0|2,0,0]=3 384 B14R1.4926 CC(=O)Nc1cccc(c1C(=O)N)F 11a_100000036109_100015343762 [0,1,0,0,0,0|2,0,0]=3 385 B14R1.4926 CC(=O)Nc1cccc(c1C(=O)N)F 1626a_100000036109_100015343762 [0,1,0,0,0,0|2,0,0]=3 386 B14R1.4926 CC(=O)Nc1cccc(c1C(=O)N)F 22a_100000036109_100000070787 [0,1,0,0,0,0|2,0,0]=3 387 B14R1.4926 CC(=O)Nc1cccc(c1C(=O)[13CH3])Cl 1458a_200011219801_200025704644 [0,1,0,0,0,0|2,0,0]=3 388 B14R1.4926 CC(=O)Nc1cccc(c1C(=O)[13CH3])F 1458a_100000756107_200025704644 [0,1,0,0,0,0|2,0,0]=3 389 B14R1.4926 CC(=O)Nc1cccc(c1[N+](=O)[O-])C 11a_100011424894_100015343762 [0,1,0,0,0,0|2,0,1]=4 390 B14R1.4926 CC(=O)Nc1cccc(c1[N+](=O)[O-])Cl 11a_100011934165_100015343762 [0,1,0,0,0,0|2,0,1]=4 391 B14R1.4926 CC(=O)Nc1cccc(c1[N+](=O)[O-])Cl 1626a_100011934165_100015343762 [0,1,0,0,0,0|2,0,1]=4 392 B14R1.4926 CC(=O)Nc1cccc(c1[N+](=O)[O-])F 11a_100011219493_100015343762 [0,1,0,0,0,0|2,0,1]=4 393 B14R1.4926 CC(=O)Nc1cccc(c1[N+](=O)[O-])F 1626a_100011219493_100015343762 [0,1,0,0,0,0|2,0,1]=4 394 B14R1.4926 CC(=O)Nc1cccc(c1[N+](=O)[O-])I 1626a_100010150234_100015343762 [0,1,0,0,0,0|2,0,1]=4 395 B14R1.4926 CC(=O)c1c(cccc1C=C(C)C)F 271570a_100102525489_100012351873 [0,1,0,0,0,0|3,0,0]=4 396 B14R1.4926 CC(=O)c1c(cccc1C=C(C)C)O 271570a_100102525489_100010174959 [0,1,0,0,0,0|3,0,0]=4 397 B14R1.4926 CC(=O)c1c(cccc1OC(C)C)Br 34a_100010174959_100000210206 [0,1,0,0,0,0|2,0,1]=4 398 B14R1.4926 CC(=O)c1c(cccc1OC(C)C)Br 7a_100010174959_100000210206 [0,1,0,0,0,0|2,0,1]=4 399 B14R1.4926 CC(=O)c1c(cccc1OC(C)C)C 34a_100009860897_100000210206 [0,1,0,0,0,0|2,0,1]=4 400 B14R1.4926 CC(=O)c1c(cccc1OC(C)C)C 7a_100009860897_100000210206 [0,1,0,0,0,0|2,0,1]=4 401 B14R1.4926 CC(=O)c1c(cccc1OC(C)C)Cl 34a_100000730630_100000210206 [0,1,0,0,0,0|2,0,1]=4 402 B14R1.4926 CC(=O)c1c(cccc1OC(C)C)Cl 7a_100000730630_100000210206 [0,1,0,0,0,0|2,0,1]=4 403 B14R1.4926 CC(=O)c1c(cccc1OC(C)C)F 34a_100011216272_100000210206 [0,1,0,0,0,0|2,0,1]=4 404 B14R1.4926 CC(=O)c1c(cccc1OC(C)C)F 7a_100011216272_100000210206 [0,1,0,0,0,0|2,0,1]=4 405 B14R1.4926 CC(C)Oc1cccc(c1C(=O)N)F 34a_100000701607_100000210206 [0,1,0,0,0,0|2,0,1]=4 406 B14R1.4926 CC(C)Oc1cccc(c1C(=O)N)F 7a_100000701607_100000210206 [0,1,0,0,0,0|2,0,1]=4 407 B14R1.4926 Cc1cccc(c1[N+](=O)[O-])CC(=O)[13CH3] 1458a_100011934920_200025704644 [0,1,0,0,0,0|2,0,1]=4 408 B14R1.4926 [13CH3]C(=O)Cc1cccc(c1[N+](=O)[O-])F 1458a_100009842643_200025704644 [0,1,0,0,0,0|2,0,1]=4 409 B14R1.6074 C=C(C)c1cc(ccc1NC(=O)C)Br 271570a_100000694244_100009813020 [0,1,0,0,0,0|3,0,0]=4 410 B14R1.6074 C=C(C)c1cc(ccc1NC(=O)C)C 271570a_100000694244_100000152032 [0,1,0,0,0,0|3,0,0]=4 411 B14R1.6074 C=C(C)c1cc(ccc1NC(=O)C)F 11a_100009961556_100015343762 [0,1,0,0,0,0|3,0,0]=4 412 B14R1.6074 C=C(C)c1cc(ccc1NC(=O)C)F 1626a_100009961556_100015343762 [0,1,0,0,0,0|3,0,0]=4 413 B14R1.6074 C=C(C)c1cc(ccc1NC(=O)C)F 22a_100009961556_100000070787 [0,1,0,0,0,0|3,0,0]=4 414 B14R1.6074 C=C(C)c1cc(ccc1NC(=O)C)F 271570a_100000694244_100011215554 [0,1,0,0,0,0|3,0,0]=4 415 B14R1.6074 CC(=Cc1ccc(cc1C(=O)N)Br)C 271570a_100102525489_200000162314 [0,1,0,0,0,0|3,0,0]=4 416 B14R1.6074 CC(=Cc1ccc(cc1C(=O)N)C)C 271570a_100102525489_200012349609 [0,1,0,0,0,0|3,0,0]=4 417 B14R1.6074 CC(=Cc1ccc(cc1C(=O)N)F)C 271570a_100102525489_100000206434 [0,1,0,0,0,0|3,0,0]=4 418 B14R1.6074 CC(=Cc1ccc(cc1C(=O)N)N)C 271570a_100102525489_100015186447 [0,1,0,0,0,0|3,0,0]=4 419 B14R1.6074 CC(=O)Cc1ccc(cc1[N+](=O)[O-])Br 1458a_100000070787_100012353686 [0,1,0,0,0,0|2,0,1]=4 420 B14R1.6074 CC(=O)Cc1ccc(cc1[N+](=O)[O-])Br 1458a_100012350629_200000210301 [0,1,0,0,0,0|2,0,1]=4 421 B14R1.6074 CC(=O)Cc1ccc(cc1[N+](=O)[O-])C 1458a_100000070787_200009879986 [0,1,0,0,0,0|2,0,1]=4 422 B14R1.6074 CC(=O)Cc1ccc(cc1[N+](=O)[O-])C 1458a_100011998749_200000210301 [0,1,0,0,0,0|2,0,1]=4 423 B14R1.6074 CC(=O)Cc1ccc(cc1[N+](=O)[O-])Cl 1458a_100000070787_100000748067 [0,1,0,0,0,0|2,0,1]=4 424 B14R1.6074 CC(=O)Cc1ccc(cc1[N+](=O)[O-])Cl 1458a_100011609530_200000210301 [0,1,0,0,0,0|2,0,1]=4 425 B14R1.6074 CC(=O)Cc1ccc(cc1[N+](=O)[O-])F 1458a_100000070787_100012145688 [0,1,0,0,0,0|2,0,1]=4 426 B14R1.6074 CC(=O)Cc1ccc(cc1[N+](=O)[O-])F 1458a_100011997041_200000210301 [0,1,0,0,0,0|2,0,1]=4 427 B14R1.6074 CC(=O)Cc1ccc(cc1[N+](=O)[O-])I 1458a_100000070787_200010171343 [0,1,0,0,0,0|2,0,1]=4 428 B14R1.6074 CC(=O)Nc1ccc(cc1C(=O)C)Br 1458a_100000195241_200000210301 [0,1,0,0,0,0|2,0,0]=3 429 B14R1.6074 CC(=O)Nc1ccc(cc1C(=O)C)F 1458a_100011219192_200000210301 [0,1,0,0,0,0|2,0,0]=3 430 B14R1.6074 CC(=O)Nc1ccc(cc1C(=O)N)Br 11a_100000740421_100015343762 [0,1,0,0,0,0|2,0,0]=3 431 B14R1.6074 CC(=O)Nc1ccc(cc1C(=O)N)Br 1626a_100000740421_100015343762 [0,1,0,0,0,0|2,0,0]=3 432 B14R1.6074 CC(=O)Nc1ccc(cc1C(=O)N)Br 22a_100000740421_100000070787 [0,1,0,0,0,0|2,0,0]=3 433 B14R1.6074 CC(=O)Nc1ccc(cc1C(=O)N)C 11a_100011692829_100015343762 [0,1,0,0,0,0|2,0,0]=3 434 B14R1.6074 CC(=O)Nc1ccc(cc1C(=O)N)C 1626a_100011692829_100015343762 [0,1,0,0,0,0|2,0,0]=3 435 B14R1.6074 CC(=O)Nc1ccc(cc1C(=O)N)C 22a_100011692829_100000070787 [0,1,0,0,0,0|2,0,0]=3 436 B14R1.6074 CC(=O)Nc1ccc(cc1C(=O)N)Cl 11a_100000743835_100015343762 [0,1,0,0,0,0|2,0,0]=3 437 B14R1.6074 CC(=O)Nc1ccc(cc1C(=O)N)Cl 1626a_100000743835_100015343762 [0,1,0,0,0,0|2,0,0]=3 438 B14R1.6074 CC(=O)Nc1ccc(cc1C(=O)N)Cl 22a_100000743835_100000070787 [0,1,0,0,0,0|2,0,0]=3 439 B14R1.6074 CC(=O)Nc1ccc(cc1C(=O)N)F 11a_100000741173_100015343762 [0,1,0,0,0,0|2,0,0]=3 440 B14R1.6074 CC(=O)Nc1ccc(cc1C(=O)N)F 1626a_100000741173_100015343762 [0,1,0,0,0,0|2,0,0]=3 441 B14R1.6074 CC(=O)Nc1ccc(cc1C(=O)N)F 22a_100000741173_100000070787 [0,1,0,0,0,0|2,0,0]=3 442 B14R1.6074 CC(=O)Nc1ccc(cc1C(=O)[13CH3])Br 1458a_100000195241_200025704644 [0,1,0,0,0,0|2,0,0]=3 443 B14R1.6074 CC(=O)Nc1ccc(cc1C(=O)[13CH3])F 1458a_100011219192_200025704644 [0,1,0,0,0,0|2,0,0]=3 444 B14R1.6074 CC(=O)Nc1ccc(cc1[N+](=O)[O-])Cl 1626a_100000210029_100015343762 [0,1,0,0,0,0|2,0,1]=4 445 B14R1.6074 CC(=O)Nc1ccc(cc1[N+](=O)[O-])F 11a_100000187532_100015343762 [0,1,0,0,0,0|2,0,1]=4 446 B14R1.6074 CC(=O)Nc1ccc(cc1[N+](=O)[O-])F 1626a_100000187532_100015343762 [0,1,0,0,0,0|2,0,1]=4 447 B14R1.6074 CC(=O)Nc1ccc(cc1[N+](=O)[O-])O 527a_100000740891_100103153847 [0,1,0,0,0,0|2,0,1]=4 448 B14R1.6074 CC(=O)c1cc(ccc1C=C(C)C)Br 271570a_100102525489_100012349576 [0,1,0,0,0,0|3,0,0]=4 449 B14R1.6074 CC(=O)c1cc(ccc1C=C(C)C)C 271570a_100102525489_100012361225 [0,1,0,0,0,0|3,0,0]=4 450 B14R1.6074 CC(=O)c1cc(ccc1C=C(C)C)F 271570a_100102525489_100012353695 [0,1,0,0,0,0|3,0,0]=4 451 B14R1.6074 CC(=O)c1cc(ccc1C=C(C)C)N 271570a_100102525489_100012349454 [0,1,0,0,0,0|3,0,0]=4 452 B14R1.6074 CC(=O)c1cc(ccc1OC(C)C)Br 1458a_200000243792_200000210301 [0,1,0,0,0,0|2,0,1]=4 453 B14R1.6074 CC(=O)c1cc(ccc1OC(C)C)Br 34a_100000212127_100000210206 [0,1,0,0,0,0|2,0,1]=4 454 B14R1.6074 CC(=O)c1cc(ccc1OC(C)C)Br 7a_100000212127_100000210206 [0,1,0,0,0,0|2,0,1]=4 455 B14R1.6074 CC(=O)c1cc(ccc1OC(C)C)C 34a_100000195442_100000210206 [0,1,0,0,0,0|2,0,1]=4 456 B14R1.6074 CC(=O)c1cc(ccc1OC(C)C)C 7a_100000195442_100000210206 [0,1,0,0,0,0|2,0,1]=4 457 B14R1.6074 CC(=O)c1cc(ccc1OC(C)C)Cl 1458a_100000744665_200000210301 [0,1,0,0,0,0|2,0,1]=4 458 B14R1.6074 CC(=O)c1cc(ccc1OC(C)C)Cl 34a_100000185566_100000210206 [0,1,0,0,0,0|2,0,1]=4 459 B14R1.6074 CC(=O)c1cc(ccc1OC(C)C)Cl 7a_100000185566_100000210206 [0,1,0,0,0,0|2,0,1]=4 460 B14R1.6074 CC(=O)c1cc(ccc1OC(C)C)F 7a_100000182812_100000210206 [0,1,0,0,0,0|2,0,1]=4 461 B14R1.6074 CC(=O)c1cc(ccc1OC(C)C)I 7a_100010712555_100000210206 [0,1,0,0,0,0|2,0,1]=4 462 B14R1.6074 CC(=O)c1cc(ccc1OC(C)C)N 34a_100011218865_100000210206 [0,1,0,0,0,0|2,0,1]=4 463 B14R1.6074 CC(C)Oc1ccc(cc1C(=O)N)Br 34a_100000192807_100000210206 [0,1,0,0,0,0|2,0,1]=4 464 B14R1.6074 CC(C)Oc1ccc(cc1C(=O)N)Br 7a_100000192807_100000210206 [0,1,0,0,0,0|2,0,1]=4 465 B14R1.6074 CC(C)Oc1ccc(cc1C(=O)N)Cl 34a_100000185026_100000210206 [0,1,0,0,0,0|2,0,1]=4 466 B14R1.6074 CC(C)Oc1ccc(cc1C(=O)N)Cl 7a_100000185026_100000210206 [0,1,0,0,0,0|2,0,1]=4 467 B14R1.6074 CC(C)Oc1ccc(cc1C(=O)N)F 34a_100012186459_100000210206 [0,1,0,0,0,0|2,0,1]=4 468 B14R1.6074 CC(C)Oc1ccc(cc1C(=O)N)F 7a_100012186459_100000210206 [0,1,0,0,0,0|2,0,1]=4 469 B14R1.6074 CC(C)Oc1ccc(cc1C(=O)N)I 34a_100000192813_100000210206 [0,1,0,0,0,0|2,0,1]=4 470 B14R1.6074 CC(C)Oc1ccc(cc1C(=O)N)I 7a_100000192813_100000210206 [0,1,0,0,0,0|2,0,1]=4 471 B14R1.6074 CC(C)Oc1ccc(cc1C(=O)[13CH3])Br 1458a_200000243792_200025704644 [0,1,0,0,0,0|2,0,1]=4 472 B14R1.6074 CC(C)Oc1ccc(cc1C(=O)[13CH3])Cl 1458a_100000744665_200025704644 [0,1,0,0,0,0|2,0,1]=4 473 B14R1.6074 CC(C)Sc1ccc(cc1C(=O)O)Br 62a_100011072988_100000210206 [0,1,0,0,0,0|1,1,1]=4 474 B14R1.6074 Cc1ccc(c(c1)C(=O)N)OC(C)C 34a_200000192840_100000210206 [0,1,0,0,0,0|2,0,1]=4 475 B14R1.6074 Cc1ccc(c(c1)C(=O)N)OC(C)C 7a_200000192840_100000210206 [0,1,0,0,0,0|2,0,1]=4 476 B14R1.6074 Cc1ccc(c(c1)[N+](=O)[O-])CC(=O)[13CH3] 1458a_100011998749_200025704644 [0,1,0,0,0,0|2,0,1]=4 477 B14R1.6074 [13CH3]C(=O)Cc1ccc(cc1[N+](=O)[O-])Br 1458a_100012350629_200025704644 [0,1,0,0,0,0|2,0,1]=4 478 B14R1.6074 [13CH3]C(=O)Cc1ccc(cc1[N+](=O)[O-])Cl 1458a_100011609530_200025704644 [0,1,0,0,0,0|2,0,1]=4 479 B14R1.6074 [13CH3]C(=O)Cc1ccc(cc1[N+](=O)[O-])F 1458a_100011997041_200025704644 [0,1,0,0,0,0|2,0,1]=4 480 B14R1.6312 CC(=O)c1ccccc1NS(=O)(=O)C 1458a_100000169588_200000210301 [0,1,0,0,0,0|3,0,0]=4 481 B14R1.6312 CC(C)(C)Oc1ccccc1C(=O)N 34a_100000192804_100000210625 [0,1,0,0,0,0|2,0,1]=4 482 B14R1.6312 CC(C)(C)Sc1ccccc1C(=O)O 62a_100000211941_100000734275 [0,1,0,0,0,0|1,1,1]=4 483 B14R1.6312 CC(C)(C)Sc1ccccc1C(=O)O 62a_202125556159_100000211941 [0,1,0,0,0,0|1,1,1]=4 484 B14R1.6312 CS(=O)(=O)Nc1ccccc1C(=O)N 40a_100000185089_100000738038 [0,1,0,0,0,0|3,0,0]=4 485 B14R1.6312 CS(=O)(=O)Nc1ccccc1C(=O)[13CH3] 1458a_100000169588_200025704644 [0,1,0,0,0,0|3,0,0]=4 486 B14R2.712 C=C(C)c1cccc2c1CC(=O)C2 271570a_100000694244_100010205903 [0,0,0,1,0,0|3,0,0]=4 487 B14R2.712 C=C(C)c1cccc2c1NC(=O)C2 271570a_100000694244_100000767046 [0,0,0,1,0,0|3,0,0]=4 488 B14R2.712 C=C(C)c1cccc2c1oc(=O)[nH]2 271570a_100000694244_100012360093 [0,0,0,1,0,0|3,0,0]=4 489 B14R2.712 C=C(C)c1cccc2c1oc(n2)C 271570a_100000694244_100010168998 [0,0,0,1,0,0|3,0,0]=4 490 B14R2.712 CC(=O)c1cccc2c1oc(n2)C 1458a_100011934341_200000210301 [0,0,0,1,0,0|2,0,0]=3 491 B14R2.712 Cc1nc2cccc(c2o1)C(=O)[13CH3] 1458a_100011934341_200025704644 [0,0,0,1,0,0|2,0,0]=3 492 B14R2.9513 NC(=O)c1ccccc1OC2CC2 34a_100000192804_100000211595 [0,0,0,1,0,0|2,0,1]=4 493 B14R2.9513 O=C(O)c1ccccc1SC2CC2 62a_202125556159_100000211595 [0,0,0,1,0,0|1,1,1]=4 494 B14R2.9577 CC(=O)Oc1ccccc1C2CC2 271570a_100011220607_100000051690 [0,0,0,1,0,0|2,0,1]=4 495 B14R2.25733 CC(=O)C1CC(=O)c2c1cccc2 1458a_100000070787_100010208147 [0,0,0,1,0,0|2,0,0]=3 496 B14R2.25733 CC(=O)n1cc(c2c1cccc2)O 271570a_203496583355_100010365038 [0,0,0,1,0,0|2,0,0]=3 497 B14R2.25733 CN(C)C1OC(=O)c2c1cccc2 2230a_100102631434_100009813457 [0,0,0,1,0,0|3,0,0]=4 498 B14R2.25733 CN(C)C1OC(=O)c2c1cccc2 269982a_100102631434_100009813457 [0,0,0,1,0,0|3,0,0]=4 499 B12R1.261 C=C(C)c1ccccc1B(O)O 271570a_100000694244_100000693059 [0,0,0,0,1,0|2,0,1]=4 500 B12R1.261 C=C(C)c1ccccc1C(=O)C 271570a_100000694244_100000751169 [0,0,0,0,1,0|2,0,0]=3 501 B12R1.261 C=C(C)c1ccccc1C(=O)N 271570a_100000694244_100000162227 [0,0,0,0,1,0|2,0,0]=3 502 B12R1.261 C=C(C)c1ccccc1C(C)O 271570a_100000694244_100000702211 [0,0,0,0,1,0|2,0,1]=4 503 B12R1.261 C=C(C)c1ccccc1S(=O)C 271570a_100000694244_100000734199 [0,0,0,0,1,0|3,0,0]=4 504 B12R1.261 C=C(C)c1cccnc1C(=O)C 271570a_100000694244_100012348690 [0,0,0,0,1,0|3,0,0]=4 505 B12R1.261 C=C(C)c1cccnc1C(=O)N 271570a_100000694244_200012359670 [0,0,0,0,1,0|3,0,0]=4 506 B12R1.261 C=C(C)c1ccncc1C(=O)C 271570a_100000694244_100160469449 [0,0,0,0,1,0|3,0,0]=4 507 B12R1.261 C=C(C)c1ccncc1C(=O)N 271570a_100000694244_100000697804 [0,0,0,0,1,0|3,0,0]=4 508 B12R1.261 C=C(C)c1cnccc1C(=O)C 271570a_100000694244_100009993184 [0,0,0,0,1,0|3,0,0]=4 509 B12R1.261 C=C(C)c1cnccc1C(=O)N 271570a_100000694244_100010205435 [0,0,0,0,1,0|3,0,0]=4 510 B12R1.261 C=C(C)c1ncccc1C(=O)C 271570a_100000694244_100000753718 [0,0,0,0,1,0|3,0,0]=4 511 B12R1.261 C=C(C)c1ncccc1C(=O)N 271570a_100000694244_100000162199 [0,0,0,0,1,0|3,0,0]=4 512 B12R1.261 CC(=O)c1ccccc1C(C)C 1458a_100011941426_200000210301 [0,0,0,0,1,0|2,0,1]=4 513 B12R1.261 CC(=O)c1ccccc1C(F)F 1458a_100009872251_200000210301 [0,0,0,0,1,0|2,0,1]=4 514 B12R1.261 CC(=O)c1ccccc1I(=O)=O 1458a_100000061294_200000210301 [0,0,0,0,1,0|1,0,1]=3 515 B12R1.261 CC(=O)c1ccccc1N(C)C 1458a_100011218752_200000210301 [0,0,0,0,1,0|3,0,0]=4 516 B12R1.261 CC(=O)c1ccccc1S(=O)C 1458a_100000204632_200000210301 [0,0,0,0,1,0|2,0,0]=3 517 B12R1.261 CC(=O)c1ccccc1[N+](=O)[O-] 1458a_100000188706_200000210301 [0,0,0,0,1,0|1,0,1]=3 518 B12R1.261 CC(C)c1ccccc1C(=O)[13CH3] 1458a_100011941426_200025704644 [0,0,0,0,1,0|2,0,1]=4 519 B12R1.261 CN(C)c1ccccc1C(=O)N 269982a_100000184419_200000210301 [0,0,0,0,1,0|3,0,0]=4 520 B12R1.261 CN(C)c1ccccc1C(=O)[13CH3] 1458a_100011218752_200025704644 [0,0,0,0,1,0|3,0,0]=4 521 B12R1.261 CN([13CH3])c1ccccc1C(=O)N 269982a_100000184419_200025704644 [0,0,0,0,1,0|3,0,0]=4 522 B12R1.261 CS(=O)c1ccccc1C(=O)[13CH3] 1458a_100000204632_200025704644 [0,0,0,0,1,0|2,0,0]=3 523 B12R1.261 [13CH3]C(=O)c1ccccc1C(F)F 1458a_100009872251_200025704644 [0,0,0,0,1,0|2,0,1]=4 524 B12R1.261 [13CH3]C(=O)c1ccccc1I(=O)=O 1458a_100000061294_200025704644 [0,0,0,0,1,0|1,0,1]=3 525 B12R1.261 [13CH3]C(=O)c1ccccc1[N+](=O)[O-] 1458a_100000188706_200025704644 [0,0,0,0,1,0|1,0,1]=3 526 B14R1.814 CC(=Cc1ccccc1CC(=O)N)C 271570a_100102525489_200009814924 [0,0,0,0,0,1|3,0,0]=4 527 B14R1.814 CC(=Cc1ccccc1NC(=O)N)C 271570a_100102525489_100000742221 [0,0,0,0,0,1|3,0,0]=4 528 B14R1.814 CC(=O)Cc1ccccc1C=C(C)C 271570a_100102525489_100011350739 [0,0,0,0,0,1|3,0,0]=4 529 B14R1.814 CC(=O)Nc1ccccc1C=C(C)C 271570a_100102525489_100000153524 [0,0,0,0,0,1|3,0,0]=4 530 B14R1.814 CC(=O)Nc1ccccc1NC(=O)C 11a_100011193560_100015343762 [0,0,0,0,0,1|2,0,0]=3 531 B14R1.814 CC(=O)Nc1ccccc1NC(=O)C 1626a_100011193560_100015343762 [0,0,0,0,0,1|2,0,0]=3 532 B14R1.814 CC(=O)Nc1ccccc1NC(=O)C 22a_100011193560_100000070787 [0,0,0,0,0,1|2,0,0]=3 533 B14R1.814 CC(=O)Nc1ccccc1OC(C)C 11a_100000739276_100015343762 [0,0,0,0,0,1|2,0,1]=4 534 B14R1.814 CC(=O)Nc1ccccc1OC(C)C 1626a_100000739276_100015343762 [0,0,0,0,0,1|2,0,1]=4 535 B14R1.814 CC(=O)Nc1ccccc1OC(C)C 22a_100000739276_100000070787 [0,0,0,0,0,1|2,0,1]=4 536 B14R1.814 CC(=O)Nc1ccccc1OC(C)C 34a_100000185124_100000210206 [0,0,0,0,0,1|2,0,1]=4 537 B14R1.814 CC(=O)Nc1ccccc1OC(C)C 527a_100000739276_100103153847 [0,0,0,0,0,1|2,0,1]=4 538 B14R1.814 CC(=O)Nc1ccccc1OC(C)C 7a_100000185124_100000210206 [0,0,0,0,0,1|2,0,1]=4 539 B14R1.814 CC(=O)Oc1ccccc1C=C(C)C 271570a_100102525489_100000051690 [0,0,0,0,0,1|2,0,0]=3 540 B14R1.814 CC(=O)Oc1ccccc1CN(C)C 270004a_100102631434_100009864558 [0,0,0,0,0,1|3,0,0]=4 541 B14R1.814 CC(=O)Oc1ccccc1SC(C)C 62a_100000051690_100000210206 [0,0,0,0,0,1|2,0,1]=4 542 B14R1.814 CC(=O)Oc1ccccc1SC(C)C 62a_100000210206_100000051690 [0,0,0,0,0,1|2,0,1]=4 543 B14R1.814 CC(=O)Oc1cccnc1C=C(C)C 271570a_100102525489_200009815371 [0,0,0,0,0,1|3,0,0]=4 544 B14R1.4522 C=C(C)CNc1ccccc1C(=O)N 34a_100000185089_100000748629 [0,0,0,0,0,1|3,0,0]=4 545 B14R1.4522 C=C(C)COc1ccccc1C(=O)C 1458a_100000217157_200000210301 [0,0,0,0,0,1|2,0,0]=3 546 B14R1.4522 C=C(C)COc1ccccc1C(=O)N 34a_100000192804_100000748629 [0,0,0,0,0,1|2,0,0]=3 547 B14R1.4522 C=C(C)COc1ccccc1C(=O)N 7a_100000192804_100000748629 [0,0,0,0,0,1|2,0,0]=3 548 B14R1.4522 C=C(C)COc1ccccc1C(=O)[13CH3] 1458a_100000217157_200025704644 [0,0,0,0,0,1|2,0,0]=3 549 B14R1.4522 C=C(C)COc1ccccc1C(=O)[O-] 7a_100015234032_100000748629 [0,0,0,0,0,1|1,0,1]=3 550 B14R1.4522 C=C(C)COc1ccccc1C(=S)N 7a_100000745089_100000748629 [0,0,0,0,0,1|2,1,0]=4 551 B14R1.4522 C=C(C)COc1ccccc1C(C)O 34a_200011232679_100000748629 [0,0,0,0,0,1|2,0,1]=4 552 B14R1.4522 C=C(C)COc1ccccc1C(C)O 7a_200011232679_100000748629 [0,0,0,0,0,1|2,0,1]=4 553 B14R1.4522 C=C(C)COc1ccccc1[N+](=O)[O-] 34a_100000186319_100000748629 [0,0,0,0,0,1|2,0,1]=4 554 B14R1.4522 C=C(C)COc1ccccc1[N+](=O)[O-] 7a_100000186319_100000748629 [0,0,0,0,0,1|2,0,1]=4 555 B14R1.4522 C=C(C)COc1cccnc1C(=O)C 34a_100000087166_100000748629 [0,0,0,0,0,1|3,0,0]=4 556 B14R1.4522 C=C(C)COc1cccnc1C(=O)C 7a_100000087166_100000748629 [0,0,0,0,0,1|3,0,0]=4 557 B14R1.4522 C=C(C)COc1cccnc1C(=O)N 34a_200011215183_100000748629 [0,0,0,0,0,1|3,0,0]=4 558 B14R1.4522 C=C(C)COc1cccnc1C(=O)N 7a_200011215183_100000748629 [0,0,0,0,0,1|3,0,0]=4 559 B14R1.4522 C=C(C)COc1ccncc1C(=O)N 34a_200011998761_100000748629 [0,0,0,0,0,1|3,0,0]=4 560 B14R1.4522 C=C(C)COc1cnccc1C(=O)C 7a_100009872882_100000748629 [0,0,0,0,0,1|3,0,0]=4 561 B14R1.4522 C=C(C)COc1cnccc1C(=O)N 7a_100012022987_100000748629 [0,0,0,0,0,1|3,0,0]=4 562 B14R1.4522 C=C(C)CSc1ccccc1C(=O)C 62a_100000751169_100000211660 [0,0,0,0,0,1|2,1,0]=4 563 B14R1.4522 C=C(C)CSc1ccccc1C(=O)N 62a_100000162227_100000211660 [0,0,0,0,0,1|2,1,0]=4 564 B14R1.4522 C=C(C)CSc1ccccc1C(=O)N 62a_100000748629_100000162227 [0,0,0,0,0,1|2,1,0]=4 565 B14R1.4522 C=C(C)CSc1ccccc1C(=O)O 62a_100000748629_100000734275 [0,0,0,0,0,1|1,1,0]=3 566 B14R1.4522 C=C(C)CSc1ccccc1C(=O)O 62a_202125556159_100000211660 [0,0,0,0,0,1|1,1,0]=3 567 B14R1.4522 C=C(C)c1ccccc1CNC(=O)C 271570a_100000694244_100011237613 [0,0,0,0,0,1|3,0,0]=4 568 B14R1.4522 C=C(C)c1ccccc1OCC(=O)N 271570a_100000694244_200000148491 [0,0,0,0,0,1|3,0,0]=4 569 B14R1.4522 C=C(F)COc1ccccc1C(=O)N 34a_100000192804_100009893438 [0,0,0,0,0,1|2,0,1]=4 570 B14R1.4522 C=C(F)COc1ccccc1C(=O)N 7a_100000192804_100000042424 [0,0,0,0,0,1|2,0,1]=4 571 B14R1.4522 C=C(F)COc1ccccc1C(=O)[O-] 7a_100015234032_100000042424 [0,0,0,0,0,1|1,0,2]=4 572 B14R1.4522 C=C(F)CSc1ccccc1C(=O)O 62a_100000042424_100000734275 [0,0,0,0,0,1|1,1,1]=4 573 B14R1.4522 C=C(F)CSc1ccccc1C(=O)O 62a_202125556159_100000042424 [0,0,0,0,0,1|1,1,1]=4 574 B14R1.4522 CC(=O)C=Cc1ccccc1[N+](=O)[O-] 1458a_100000183330_200000210301 [0,0,0,0,0,1|2,0,1]=4 575 B14R1.4522 CC(=O)CCc1ccccc1[N+](=O)[O-] 1458a_100000070787_200011934512 [0,0,0,0,0,1|2,0,1]=4 576 B14R1.4522 CC(=O)CCc1ccccc1[N+](=O)[O-] 1458a_100000746016_200000210301 [0,0,0,0,0,1|2,0,1]=4 577 B14R1.4522 CC(=O)COc1ccccc1C(=O)N 1458a_100000182327_200000210301 [0,0,0,0,0,1|1,0,0]=2 578 B14R1.4522 CC(=O)COc1ccccc1C(C)C 1458a_100000183894_200000210301 [0,0,0,0,0,1|2,0,1]=4 579 B14R1.4522 CC(=O)COc1ccccc1[N+](=O)[O-] 1458a_100000182526_200000210301 [0,0,0,0,0,1|1,0,1]=3 580 B14R1.4522 CC(=O)CSc1ccccc1[N+](=O)[O-] 1458a_100000156278_200000210301 [0,0,0,0,0,1|1,1,1]=4 581 B14R1.4522 CC(=O)NCc1ccccc1[N+](=O)[O-] 11a_100000740939_100015343762 [0,0,0,0,0,1|2,0,1]=4 582 B14R1.4522 CC(=O)NCc1ccccc1[N+](=O)[O-] 240690a_100000740939_100015343762 [0,0,0,0,0,1|2,0,1]=4 583 B14R1.4522 CC(=O)NCc1ccccc1[N+](=O)[O-] 527a_100000740939_100103153847 [0,0,0,0,0,1|2,0,1]=4 584 B14R1.4522 CC(=O)NNc1ccccc1[N+](=O)[O-] 22a_100000737275_100000070787 [0,0,0,0,0,1|2,0,1]=4 585 B14R1.4522 CC(=O)c1ccccc1SCC(=O)N 1458a_100000180052_200000210301 [0,0,0,0,0,1|2,1,0]=4 586 B14R1.4522 CC(=O)c1ccccc1SCC(=O)N 62a_100000751169_100000747473 [0,0,0,0,0,1|2,1,0]=4 587 B14R1.4522 CC(=O)c1ccccc1SCC(=O)[O-] 62a_100000751169_100020667443 [0,0,0,0,0,1|2,1,0]=4 588 B14R1.4522 CC(=O)c1ccncc1OCC(=O)N 7a_100009872882_100000187820 [0,0,0,0,0,1|3,0,0]=4 589 B14R1.4522 CC(=O)c1ncccc1OCC(=O)N 34a_100000087166_100000187820 [0,0,0,0,0,1|3,0,0]=4 590 B14R1.4522 CC(=O)c1ncccc1OCC(=O)N 7a_100000087166_100000187820 [0,0,0,0,0,1|3,0,0]=4 591 B14R1.4522 CC(=O)c1ncccc1OCC(=O)[O-] 34a_100000087166_100020667443 [0,0,0,0,0,1|3,0,0]=4 592 B14R1.4522 CC(C)COc1ccccc1C(=O)N 34a_100000192804_100000210624 [0,0,0,0,0,1|2,0,1]=4 593 B14R1.4522 CC(C)COc1ccccc1C(=O)N 7a_100000192804_100000210760 [0,0,0,0,0,1|2,0,1]=4 594 B14R1.4522 CC(C)COc1ccccc1C(=O)[O-] 7a_100015234032_100000210760 [0,0,0,0,0,1|1,0,2]=4 595 B14R1.4522 CC(C)CSc1ccccc1C(=O)O 62a_100000210624_100000734275 [0,0,0,0,0,1|1,1,1]=4 596 B14R1.4522 CC(C)CSc1ccccc1C(=O)O 62a_202125556159_100000210760 [0,0,0,0,0,1|1,1,1]=4 597 B14R1.4522 CC(C)NCc1ccccc1C(=O)O 269956a_100015183376_100000210206 [0,0,0,0,0,1|2,0,1]=4 598 B14R1.4522 CC(C)c1ccccc1OCC(=O)[13CH3] 1458a_100000183894_200025704644 [0,0,0,0,0,1|2,0,1]=4 599 B14R1.4522 CC(O)COc1ccccc1C(=O)N 34a_100000192804_100011218427 [0,0,0,0,0,1|1,0,2]=4 600 B14R1.4522 CC(O)COc1ccccc1C(=O)N 7a_100000192804_100011218427 [0,0,0,0,0,1|1,0,2]=4 601 B14R1.4522 CC(O)COc1ccccc1C(=O)[O-] 7a_100015234032_100011218427 [0,0,0,0,0,1|0,0,3]=4 602 B14R1.4522 CC(O)CSc1ccccc1C(=O)O 62a_100011218427_100000734275 [0,0,0,0,0,1|0,1,2]=4 603 B14R1.4522 CC(O)CSc1ccccc1C(=O)O 62a_202125556159_100011218427 [0,0,0,0,0,1|0,1,2]=4 604 B14R1.4522 CC(O)c1ccccc1OCC(=O)N 34a_200011232679_100000187820 [0,0,0,0,0,1|2,0,1]=4 605 B14R1.4522 CC(O)c1ccccc1OCC(=O)N 7a_200011232679_100000187820 [0,0,0,0,0,1|2,0,1]=4 606 B14R1.4522 CC(O)c1ccccc1OCC(=O)[O-] 34a_200011232679_100020667443 [0,0,0,0,0,1|2,0,1]=4 607 B14R1.4522 C[C@@H](O)COc1ccccc1C(=O)N 34a_100000192804_100009817552 [0,0,0,0,0,1|1,0,2]=4 608 B14R1.4522 C[C@@H](O)COc1ccccc1C(=O)N 7a_100000192804_100009817552 [0,0,0,0,0,1|1,0,2]=4 609 B14R1.4522 C[C@@H](O)COc1ccccc1C(=O)[O-] 7a_100015234032_100009817552 [0,0,0,0,0,1|0,0,3]=4 610 B14R1.4522 C[C@@H](O)CSc1ccccc1C(=O)O 62a_100009817552_100000734275 [0,0,0,0,0,1|0,1,2]=4 611 B14R1.4522 C[C@@H](O)CSc1ccccc1C(=O)O 62a_202125556159_100009817552 [0,0,0,0,0,1|0,1,2]=4 612 B14R1.4522 NC(=O)CNc1ccccc1C(=O)N 34a_100000185089_100000187820 [0,0,0,0,0,1|3,0,0]=4 613 B14R1.4522 NC(=O)COc1ccccc1C(=O)N 34a_100000192804_100000187820 [0,0,0,0,0,1|2,0,0]=3 614 B14R1.4522 NC(=O)COc1ccccc1C(=O)N 7a_100000192804_100000187820 [0,0,0,0,0,1|2,0,0]=3 615 B14R1.4522 NC(=O)COc1ccccc1C(=O)[O-] 7a_100015234032_100000187820 [0,0,0,0,0,1|1,0,1]=3 616 B14R1.4522 NC(=O)COc1ccccc1C(=S)N 7a_100000745089_100000187820 [0,0,0,0,0,1|2,1,0]=4 617 B14R1.4522 NC(=O)COc1ccccc1[N+](=O)[O-] 34a_100000186319_100000187820 [0,0,0,0,0,1|2,0,1]=4 618 B14R1.4522 NC(=O)COc1ccccc1[N+](=O)[O-] 7a_100000186319_100000187820 [0,0,0,0,0,1|2,0,1]=4 619 B14R1.4522 NC(=O)COc1cccnc1C(=O)N 34a_200011215183_100000187820 [0,0,0,0,0,1|3,0,0]=4 620 B14R1.4522 NC(=O)COc1cccnc1C(=O)N 7a_200011215183_100000187820 [0,0,0,0,0,1|3,0,0]=4 621 B14R1.4522 NC(=O)COc1ccncc1C(=O)N 34a_200011998761_100000187820 [0,0,0,0,0,1|3,0,0]=4 622 B14R1.4522 NC(=O)COc1cnccc1C(=O)N 7a_100012022987_100000187820 [0,0,0,0,0,1|3,0,0]=4 623 B14R1.4522 NC(=O)CSc1ccccc1C(=O)N 62a_100000162227_100000747473 [0,0,0,0,0,1|2,1,0]=4 624 B14R1.4522 NC(=O)CSc1ccccc1C(=O)N 62a_100000747473_100000162227 [0,0,0,0,0,1|2,1,0]=4 625 B14R1.4522 NC(=O)CSc1ccccc1C(=O)O 62a_100000747473_100000734275 [0,0,0,0,0,1|1,1,0]=3 626 B14R1.4522 NC(=O)CSc1ccccc1C(=O)O 62a_202125556159_100000747473 [0,0,0,0,0,1|1,1,0]=3 627 B14R1.4522 NC(=O)c1ccccc1NCC(=O)[O-] 34a_100000185089_100020667443 [0,0,0,0,0,1|3,0,0]=4 628 B14R1.4522 NC(=O)c1ccccc1OCC(=O)[O-] 34a_100000192804_100020667443 [0,0,0,0,0,1|2,0,0]=3 629 B14R1.4522 NC(=O)c1ccccc1OC[N+](=O)[O-] 34a_100000192804_100000761209 [0,0,0,0,0,1|3,0,0]=4 630 B14R1.4522 NC(=O)c1ccccc1SCC(=O)[O-] 62a_100000162227_100020667443 [0,0,0,0,0,1|2,1,0]=4 631 B14R1.4522 NC(=O)c1ccccc1SCC(=O)[O-] 62a_100020667443_100000162227 [0,0,0,0,0,1|2,1,0]=4 632 B14R1.4522 NC(=O)c1cnccc1OCC(=O)[O-] 34a_200011998761_100020667443 [0,0,0,0,0,1|3,0,0]=4 633 B14R1.4522 NC(=O)c1ncccc1OCC(=O)[O-] 34a_200011215183_100020667443 [0,0,0,0,0,1|3,0,0]=4 634 B14R1.4522 O=C(O)c1ccccc1SC[N+](=O)[O-] 62a_202125556159_100000761209 [0,0,0,0,0,1|2,1,0]=4 635 B14R1.4522 O=C([O-])COc1ccccc1[N+](=O)[O-] 34a_100000186319_100020667443 [0,0,0,0,0,1|2,0,1]=4 636 B14R1.4522 O=C([O-])CSc1ccccc1C(=O)O 62a_100020667443_100000734275 [0,0,0,0,0,1|1,1,0]=3 637 B14R1.4522 O=C([O-])CSc1ccccc1C(=O)O 62a_202125556159_100020667443 [0,0,0,0,0,1|1,1,0]=3 638 B14R1.4522 [13CH3]C(=O)C=Cc1ccccc1[N+](=O)[O-] 1458a_100000183330_200025704644 [0,0,0,0,0,1|2,0,1]=4 639 B14R1.4522 [13CH3]C(=O)CCc1ccccc1[N+](=O)[O-] 1458a_100000746016_200025704644 [0,0,0,0,0,1|2,0,1]=4 640 B14R1.4522 [13CH3]C(=O)COc1ccccc1C(=O)N 1458a_100000182327_200025704644 [0,0,0,0,0,1|1,0,0]=2 641 B14R1.4522 [13CH3]C(=O)COc1ccccc1[N+](=O)[O-] 1458a_100000182526_200025704644 [0,0,0,0,0,1|1,0,1]=3 642 B14R1.4522 [13CH3]C(=O)CSc1ccccc1[N+](=O)[O-] 1458a_100000156278_200025704644 [0,0,0,0,0,1|1,1,1]=4 643 B14R1.4522 [13CH3]C(=O)c1ccccc1SCC(=O)N 1458a_100000180052_200025704644 [0,0,0,0,0,1|2,1,0]=4 644 B11R1.41 C=Cc1ccccc1OCC 271570a_100011290941_100000230754 [2,0,0,0,0,0|1,0,1]=4 645 B11R1.41 CC=Cc1ccccc1C=O 271570a_100016259895_100000211189 [2,0,0,0,0,0|1,0,0]=3 646 B11R1.41 CC=Cc1ccccc1CO 271570a_100016259895_100000187465 [2,0,0,0,0,0|1,0,1]=4 647 B11R1.41 CC=Cc1cccnc1C=O 271570a_100016259895_100011934733 [2,0,0,0,0,0|2,0,0]=4 648 B11R1.41 CC=Cc1ccncc1C=O 271570a_100016259895_100000050567 [2,0,0,0,0,0|2,0,0]=4 649 B11R1.41 CC=Cc1cnccc1C=O 271570a_100016259895_100011934409 [2,0,0,0,0,0|2,0,0]=4 650 B11R1.41 CC=Cc1ncccc1C=O 271570a_100016259895_100009816751 [2,0,0,0,0,0|2,0,0]=4 651 B11R1.41 CCOc1ccccc1CO 34a_100011216872_100000210202 [2,0,0,0,0,0|0,0,2]=4 652 B11R1.41 CCSc1ccccc1C=O 62a_100000210073_100000210202 [2,0,0,0,0,0|0,1,1]=4 653 B11R1.41 CCSc1ccccc1C=O 62a_100000210202_100000210073 [2,0,0,0,0,0|0,1,1]=4 654 B11R1.41 CNCc1ccccc1C=O 2230a_106832991635_200009853537 [2,0,0,0,0,0|2,0,0]=4 655 B11R1.41 CNCc1ccccc1C=O 34a_100102657272_200009853537 [2,0,0,0,0,0|2,0,0]=4 656 B11R1.41 CNCc1ccccc1C=O 7a_106832991635_200009853537 [2,0,0,0,0,0|2,0,0]=4 657 B11R1.41 COCc1ccccc1C=O 34a_100138415774_200009853537 [2,0,0,0,0,0|2,0,0]=4 658 B11R1.41 CSCc1ccccc1C=O 62a_200000210301_200009853537 [2,0,0,0,0,0|2,0,0]=4 659 B11R1.41 CSCc1ccccc1C=O 62a_200009853537_200000210301 [2,0,0,0,0,0|2,0,0]=4 660 B11R1.41 [13CH3]SCc1ccccc1C=O 62a_200009853537_200025704644 [2,0,0,0,0,0|2,0,0]=4 661 B11R1.41 [13CH3]SCc1ccccc1C=O 62a_200025704644_200009853537 [2,0,0,0,0,0|2,0,0]=4 662 B11R1.86 CC(=Cc1ccccc1O)C 271570a_100102525489_100000739446 [2,0,0,0,0,0|2,0,0]=4 663 B11R1.86 CC(=O)Cc1ccccc1Br 1458a_100000070787_100000184730 [2,0,0,0,0,0|2,0,0]=4 664 B11R1.86 CC(=O)Cc1ccccc1Br 1458a_100000751119_200000210301 [2,0,0,0,0,0|2,0,0]=4 665 B11R1.86 CC(=O)Cc1ccccc1C 1458a_100000070787_100000211839 [2,0,0,0,0,0|1,0,1]=4 666 B11R1.86 CC(=O)Cc1ccccc1C 1458a_100000212180_200000210301 [2,0,0,0,0,0|1,0,1]=4 667 B11R1.86 CC(=O)Cc1ccccc1Cl 1458a_100000070787_100000187162 [2,0,0,0,0,0|2,0,0]=4 668 B11R1.86 CC(=O)Cc1ccccc1Cl 1458a_100000183793_200000210301 [2,0,0,0,0,0|2,0,0]=4 669 B11R1.86 CC(=O)Cc1ccccc1F 1458a_100000070787_100000187165 [2,0,0,0,0,0|2,0,0]=4 670 B11R1.86 CC(=O)Cc1ccccc1F 1458a_100000212012_200000210301 [2,0,0,0,0,0|2,0,0]=4 671 B11R1.86 CC(=O)Cc1ccccc1I 1458a_100000036491_200000210301 [2,0,0,0,0,0|2,0,0]=4 672 B11R1.86 CC(=O)Cc1ccccc1I 1458a_100000070787_100011216222 [2,0,0,0,0,0|2,0,0]=4 673 B11R1.86 CC(=O)Cc1ccccc1O 1458a_100000743006_200000210301 [2,0,0,0,0,0|1,0,0]=3 674 B11R1.86 CC(=O)Cc1ccccc1O 271570a_203496583355_100011350739 [2,0,0,0,0,0|1,0,0]=3 675 B11R1.86 CC(=O)Cc1ncccc1O 1458a_100000070787_200020655725 [2,0,0,0,0,0|2,0,0]=4 676 B11R1.86 CC(=O)Cn1ccccc1=O 1458a_100000189665_200000210301 [2,0,0,0,0,0|2,0,0]=4 677 B11R1.86 CC(=O)Nc1ccccc1Br 11a_100000210017_100015343762 [2,0,0,0,0,0|2,0,0]=4 678 B11R1.86 CC(=O)Nc1ccccc1Br 1626a_100000210017_100015343762 [2,0,0,0,0,0|2,0,0]=4 679 B11R1.86 CC(=O)Nc1ccccc1C 11a_100015192222_100015343762 [2,0,0,0,0,0|1,0,1]=4 680 B11R1.86 CC(=O)Nc1ccccc1C 1626a_100015192222_100015343762 [2,0,0,0,0,0|1,0,1]=4 681 B11R1.86 CC(=O)Nc1ccccc1C 22a_100015192222_100000070787 [2,0,0,0,0,0|1,0,1]=4 682 B11R1.86 CC(=O)Nc1ccccc1C 527a_100015192222_100103153847 [2,0,0,0,0,0|1,0,1]=4 683 B11R1.86 CC(=O)Nc1ccccc1Cl 11a_100000185783_100015343762 [2,0,0,0,0,0|2,0,0]=4 684 B11R1.86 CC(=O)Nc1ccccc1Cl 1626a_100000185783_100015343762 [2,0,0,0,0,0|2,0,0]=4 685 B11R1.86 CC(=O)Nc1ccccc1Cl 22a_100000185783_100000070787 [2,0,0,0,0,0|2,0,0]=4 686 B11R1.86 CC(=O)Nc1ccccc1Cl 527a_100000185783_100103153847 [2,0,0,0,0,0|2,0,0]=4 687 B11R1.86 CC(=O)Nc1ccccc1F 11a_100000210422_100015343762 [2,0,0,0,0,0|2,0,0]=4 688 B11R1.86 CC(=O)Nc1ccccc1F 1626a_100000210422_100015343762 [2,0,0,0,0,0|2,0,0]=4 689 B11R1.86 CC(=O)Nc1ccccc1F 22a_100000210422_100000070787 [2,0,0,0,0,0|2,0,0]=4 690 B11R1.86 CC(=O)Nc1ccccc1F 527a_100000210422_100103153847 [2,0,0,0,0,0|2,0,0]=4 691 B11R1.86 CC(=O)Nc1ccccc1I 11a_100000210053_100015343762 [2,0,0,0,0,0|2,0,0]=4 692 B11R1.86 CC(=O)Nc1ccccc1I 1626a_100000210053_100015343762 [2,0,0,0,0,0|2,0,0]=4 693 B11R1.86 CC(=O)Nc1ccccc1O 22a_100000185747_100000070787 [2,0,0,0,0,0|1,0,0]=3 694 B11R1.86 CC(=O)Nc1ccccc1O 271570a_203496583355_100000153524 [2,0,0,0,0,0|1,0,0]=3 695 B11R1.86 CC(=O)Nc1ccccc1O 527a_100000185747_100103153847 [2,0,0,0,0,0|1,0,0]=3 696 B11R1.86 CC(=O)Nc1ccncc1O 271570a_203496583355_100016132053 [2,0,0,0,0,0|2,0,0]=4 697 B11R1.86 CC(=O)Oc1ccccc1O 271570a_203496583355_100000051690 [2,0,0,0,0,0|0,0,0]=2 698 B11R1.86 CC(=O)Oc1cccnc1O 271570a_203496583355_200009815371 [2,0,0,0,0,0|1,0,0]=3 699 B11R1.86 CC(C)Oc1ccccc1O 271570a_203496583355_100000173919 [2,0,0,0,0,0|1,0,1]=4 700 B11R1.86 Cc1ccccc1CC(=O)[13CH3] 1458a_100000212180_200025704644 [2,0,0,0,0,0|1,0,1]=4 701 B11R1.86 NC(=O)Cc1ccccc1O 271570a_203496583355_200009814924 [2,0,0,0,0,0|2,0,0]=4 702 B11R1.86 NC(=O)Nc1ccccc1O 271570a_203496583355_100000742221 [2,0,0,0,0,0|2,0,0]=4 703 B11R1.86 [13CH3]C(=O)Cc1ccccc1Br 1458a_100000751119_200025704644 [2,0,0,0,0,0|2,0,0]=4 704 B11R1.86 [13CH3]C(=O)Cc1ccccc1Cl 1458a_100000183793_200025704644 [2,0,0,0,0,0|2,0,0]=4 705 B11R1.86 [13CH3]C(=O)Cc1ccccc1F 1458a_100000212012_200025704644 [2,0,0,0,0,0|2,0,0]=4 706 B11R1.86 [13CH3]C(=O)Cc1ccccc1I 1458a_100000036491_200025704644 [2,0,0,0,0,0|2,0,0]=4 707 B11R1.86 [13CH3]C(=O)Cc1ccccc1O 1458a_100000743006_200025704644 [2,0,0,0,0,0|1,0,0]=3 708 B11R1.86 [13CH3]C(=O)Cn1ccccc1=O 1458a_100000189665_200025704644 [2,0,0,0,0,0|2,0,0]=4 709 B11R1.53 C=C(C)c1ccccc1C=O 271570a_100000694244_100000211189 [2,0,0,0,0,0|2,0,0]=4 710 B11R1.53 C=C(C)c1ccccc1OC 271570a_100000694244_100000174000 [2,0,0,0,0,0|2,0,0]=4 711 B11R1.53 C=Cc1ccccc1C(=O)C 1458a_100011830265_200000210301 [2,0,0,0,0,0|1,0,1]=4 712 B11R1.53 C=Cc1ccccc1C(=O)C 271570a_100011290941_100000751169 [2,0,0,0,0,0|1,0,1]=4 713 B11R1.53 C=Cc1ccccc1C(=O)N 271570a_100011290941_100000162227 [2,0,0,0,0,0|1,0,1]=4 714 B11R1.53 C=Cc1ccccc1C(=O)[13CH3] 1458a_100011830265_200025704644 [2,0,0,0,0,0|1,0,1]=4 715 B11R1.53 CC(=O)c1ccccc1I=O 1458a_100000032414_200000210301 [2,0,0,0,0,0|2,0,0]=4 716 B11R1.53 CC(=O)c1ccccc1S[13CH3] 62a_100000751169_200025704644 [2,0,0,0,0,0|1,1,0]=4 717 B11R1.53 CC(=O)c1ccncc1O[13CH3] 7a_100009872882_200025704644 [2,0,0,0,0,0|2,0,0]=4 718 B11R1.53 CC(=O)c1ncccc1O[13CH3] 34a_100000087166_200025704644 [2,0,0,0,0,0|2,0,0]=4 719 B11R1.53 CC(=O)c1ncccc1O[13CH3] 7a_100000087166_200025704644 [2,0,0,0,0,0|2,0,0]=4 720 B11R1.53 CC(O)c1ccccc1O[13CH3] 34a_200011232679_200025704644 [2,0,0,0,0,0|1,0,1]=4 721 B11R1.53 CC(O)c1ccccc1O[13CH3] 7a_200011232679_200025704644 [2,0,0,0,0,0|1,0,1]=4 722 B11R1.53 CCc1ccccc1C(=O)C 1458a_100000689120_200000210301 [2,0,0,0,0,0|1,0,1]=4 723 B11R1.53 CCc1ccccc1C(=O)[13CH3] 1458a_100000689120_200025704644 [2,0,0,0,0,0|1,0,1]=4 724 B11R1.53 CNc1ccccc1C(=O)N 34a_100000185089_200000210301 [2,0,0,0,0,0|2,0,0]=4 725 B11R1.53 COc1ccccc1C(=O)C 1458a_100000185835_200000210301 [2,0,0,0,0,0|1,0,0]=3 726 B11R1.53 COc1ccccc1C(=O)N 34a_100000192804_200000210301 [2,0,0,0,0,0|1,0,0]=3 727 B11R1.53 COc1ccccc1C(=O)N 7a_100000192804_200000210301 [2,0,0,0,0,0|1,0,0]=3 728 B11R1.53 COc1ccccc1C(=O)[13CH3] 1458a_100000185835_200025704644 [2,0,0,0,0,0|1,0,0]=3 729 B11R1.53 COc1ccccc1C(=O)[O-] 7a_100015234032_200000210301 [2,0,0,0,0,0|0,0,1]=3 730 B11R1.53 COc1ccccc1C(=S)N 7a_100000745089_200000210301 [2,0,0,0,0,0|1,1,0]=4 731 B11R1.53 COc1ccccc1C(C)O 34a_200011232679_200000210301 [2,0,0,0,0,0|1,0,1]=4 732 B11R1.53 COc1ccccc1C(C)O 7a_200011232679_200000210301 [2,0,0,0,0,0|1,0,1]=4 733 B11R1.53 COc1ccccc1[N+](=O)[O-] 34a_100000186319_200000210301 [2,0,0,0,0,0|1,0,1]=4 734 B11R1.53 COc1ccccc1[N+](=O)[O-] 7a_100000186319_200000210301 [2,0,0,0,0,0|1,0,1]=4 735 B11R1.53 COc1cccnc1C(=O)C 34a_100000087166_200000210301 [2,0,0,0,0,0|2,0,0]=4 736 B11R1.53 COc1cccnc1C(=O)C 7a_100000087166_200000210301 [2,0,0,0,0,0|2,0,0]=4 737 B11R1.53 COc1cccnc1C(=O)N 34a_200011215183_200000210301 [2,0,0,0,0,0|2,0,0]=4 738 B11R1.53 COc1cccnc1C(=O)N 7a_200011215183_200000210301 [2,0,0,0,0,0|2,0,0]=4 739 B11R1.53 COc1ccncc1C(=O)N 34a_200011998761_200000210301 [2,0,0,0,0,0|2,0,0]=4 740 B11R1.53 COc1cnccc1C(=O)C 7a_100009872882_200000210301 [2,0,0,0,0,0|2,0,0]=4 741 B11R1.53 COc1cnccc1C(=O)N 7a_100012022987_200000210301 [2,0,0,0,0,0|2,0,0]=4 742 B11R1.53 CSc1ccccc1C(=O)C 1458a_100000183967_200000210301 [2,0,0,0,0,0|1,1,0]=4 743 B11R1.53 CSc1ccccc1C(=O)C 62a_100000751169_200000210301 [2,0,0,0,0,0|1,1,0]=4 744 B11R1.53 CSc1ccccc1C(=O)N 62a_100000162227_200000210301 [2,0,0,0,0,0|1,1,0]=4 745 B11R1.53 CSc1ccccc1C(=O)N 62a_200000210301_100000162227 [2,0,0,0,0,0|1,1,0]=4 746 B11R1.53 CSc1ccccc1C(=O)O 62a_200000210301_100000734275 [2,0,0,0,0,0|0,1,0]=3 747 B11R1.53 CSc1ccccc1C(=O)O 62a_202125556159_200000210301 [2,0,0,0,0,0|0,1,0]=3 748 B11R1.53 CSc1ccccc1C(=O)[13CH3] 1458a_100000183967_200025704644 [2,0,0,0,0,0|1,1,0]=4 749 B11R1.53 [13CH3]C(=O)c1ccccc1I=O 1458a_100000032414_200025704644 [2,0,0,0,0,0|2,0,0]=4 750 B11R1.53 [13CH3]Nc1ccccc1C(=O)N 34a_100000185089_200025704644 [2,0,0,0,0,0|2,0,0]=4 751 B11R1.53 [13CH3]Oc1ccccc1C(=O)N 34a_100000192804_200025704644 [2,0,0,0,0,0|1,0,0]=3 752 B11R1.53 [13CH3]Oc1ccccc1C(=O)N 7a_100000192804_200025704644 [2,0,0,0,0,0|1,0,0]=3 753 B11R1.53 [13CH3]Oc1ccccc1C(=O)[O-] 7a_100015234032_200025704644 [2,0,0,0,0,0|0,0,1]=3 754 B11R1.53 [13CH3]Oc1ccccc1C(=S)N 7a_100000745089_200025704644 [2,0,0,0,0,0|1,1,0]=4 755 B11R1.53 [13CH3]Oc1ccccc1[N+](=O)[O-] 34a_100000186319_200025704644 [2,0,0,0,0,0|1,0,1]=4 756 B11R1.53 [13CH3]Oc1ccccc1[N+](=O)[O-] 7a_100000186319_200025704644 [2,0,0,0,0,0|1,0,1]=4 757 B11R1.53 [13CH3]Oc1cccnc1C(=O)N 34a_200011215183_200025704644 [2,0,0,0,0,0|2,0,0]=4 758 B11R1.53 [13CH3]Oc1cccnc1C(=O)N 7a_200011215183_200025704644 [2,0,0,0,0,0|2,0,0]=4 759 B11R1.53 [13CH3]Oc1ccncc1C(=O)N 34a_200011998761_200025704644 [2,0,0,0,0,0|2,0,0]=4 760 B11R1.53 [13CH3]Oc1cnccc1C(=O)N 7a_100012022987_200025704644 [2,0,0,0,0,0|2,0,0]=4 761 B11R1.53 [13CH3]Sc1ccccc1C(=O)N 62a_100000162227_200025704644 [2,0,0,0,0,0|1,1,0]=4 762 B11R1.53 [13CH3]Sc1ccccc1C(=O)N 62a_200025704644_100000162227 [2,0,0,0,0,0|1,1,0]=4 763 B11R1.53 [13CH3]Sc1ccccc1C(=O)O 62a_200025704644_100000734275 [2,0,0,0,0,0|0,1,0]=3 764 B11R1.53 [13CH3]Sc1ccccc1C(=O)O 62a_202125556159_200025704644 [2,0,0,0,0,0|0,1,0]=3 765 B13R1.51 C=Cc1cc(ccc1NC(=O)C)Br 271570a_100011290941_100009813020 [1,1,0,0,0,0|2,0,0]=4 766 B13R1.51 C=Cc1cc(ccc1NC(=O)C)C 271570a_100011290941_100000152032 [1,1,0,0,0,0|2,0,0]=4 767 B13R1.51 C=Cc1cc(ccc1NC(=O)C)F 271570a_100011290941_100011215554 [1,1,0,0,0,0|2,0,0]=4 768 B13R1.51 CC(=Cc1ccc(cc1C=O)Br)C 271570a_100102525489_100010185651 [1,1,0,0,0,0|2,0,0]=4 769 B13R1.51 CC(=Cc1ccc(cc1C=O)C)C 271570a_100102525489_100011551863 [1,1,0,0,0,0|2,0,0]=4 770 B13R1.51 CC(=Cc1ccc(cc1C=O)Cl)C 271570a_100102525489_100010254386 [1,1,0,0,0,0|2,0,0]=4 771 B13R1.51 CC(=Cc1ccc(cc1C=O)F)C 271570a_100102525489_100011218309 [1,1,0,0,0,0|2,0,0]=4 772 B13R1.51 CC(=Cc1ccc(cc1C=O)O)C 271570a_100102525489_100000690577 [1,1,0,0,0,0|2,0,0]=4 773 B13R1.51 CC(=O)Cc1ccc(cc1C=O)F 1458a_100000070787_100010132769 [1,1,0,0,0,0|1,0,0]=3 774 B13R1.51 CC(=O)Nc1ccc(cc1CO)Br 22a_100012353972_100000070787 [1,1,0,0,0,0|1,0,1]=4 775 B13R1.51 CC(=O)Nc1ccc(cc1CO)C 22a_100011215565_100000070787 [1,1,0,0,0,0|1,0,1]=4 776 B13R1.51 CC(=O)Nc1ccc(cc1CO)C 527a_100011215565_100103153847 [1,1,0,0,0,0|1,0,1]=4 777 B13R1.51 CC(=O)Nc1ccc(cc1CO)Cl 22a_100011214999_100000070787 [1,1,0,0,0,0|1,0,1]=4 778 B13R1.51 CC(=O)Nc1ccc(cc1CO)F 22a_100011296978_100000070787 [1,1,0,0,0,0|1,0,1]=4 779 B13R1.51 CC(=O)Nc1ccc(cc1CO)I 22a_114929179932_100000070787 [1,1,0,0,0,0|1,0,1]=4 780 B13R1.51 CC(C)Oc1ccc(cc1C=O)O 271570a_203496583355_100000170028 [1,1,0,0,0,0|1,0,1]=4 781 B13R1.89 CC(=C(C)c1ccccc1C=O)C 271570a_200000049429_100000211189 [1,1,0,0,0,0|2,0,0]=4 782 B13R1.91 C#CC(=O)Cc1ccccc1C=O 1458a_100000211873_200009853537 [1,1,0,0,0,0|1,0,1]=4 783 B13R1.91 C=CC(=O)Cc1ccccc1C=O 1458a_100000185746_200009853537 [1,1,0,0,0,0|1,0,1]=4 784 B13R1.91 C=Cc1ccccc1CC(=O)NC 271570a_100011290941_200009816160 [1,1,0,0,0,0|2,0,0]=4 785 B13R1.91 C=Cc1ccccc1CC(=O)OC 271570a_100011290941_100000699816 [1,1,0,0,0,0|2,0,0]=4 786 B13R1.91 C=Cc1ccccc1NC(=O)CC 11a_100012022501_100000210414 [1,1,0,0,0,0|2,0,0]=4 787 B13R1.91 C=Cc1ccccc1NC(=O)CC 1626a_100012022501_100000210414 [1,1,0,0,0,0|2,0,0]=4 788 B13R1.91 C=Cc1ccccc1NC(=O)CC 22a_100012022501_100000210414 [1,1,0,0,0,0|2,0,0]=4 789 B13R1.91 C=Cc1ccccc1NC(=O)CC 271570a_100011290941_100000153536 [1,1,0,0,0,0|2,0,0]=4 790 B13R1.91 C=Cc1ccccc1NC(=O)CO 22a_100012022501_100000210174 [1,1,0,0,0,0|2,0,0]=4 791 B13R1.91 C=Cc1ccccc1NC(=O)NC 2430a_100012022501_100102657272 [1,1,0,0,0,0|2,0,0]=4 792 B13R1.91 C=Cc1ccccc1NC(=O)OC 271570a_100011290941_100000216184 [1,1,0,0,0,0|2,0,0]=4 793 B13R1.91 CCC(=O)Cc1ccccc1C=O 1458a_100000210414_200009853537 [1,1,0,0,0,0|1,0,0]=3 794 B13R1.91 CCC(=O)Cc1ccccc1CO 1458a_100000210414_100009816955 [1,1,0,0,0,0|1,0,1]=4 795 B13R1.91 CCC(=O)Nc1ccccc1CO 22a_100000212039_100000210414 [1,1,0,0,0,0|1,0,1]=4 796 B13R1.91 O=C(CO)Cc1ccccc1CO 1458a_100000210174_100009816955 [1,1,0,0,0,0|1,0,1]=4 797 B13R1.91 O=C(CO)Nc1ccccc1CO 22a_100000212039_100000210174 [1,1,0,0,0,0|1,0,1]=4 798 B13R1.91 O=Cc1ccccc1CC(=O)CO 1458a_100000210174_200009853537 [1,1,0,0,0,0|1,0,0]=3 799 B13R1.115 CC(=Cc1cccc(c1C=O)C)C 271570a_100102525489_100000041122 [1,1,0,0,0,0|2,0,0]=4 800 B13R1.115 CC(=Cc1cccc(c1C=O)Cl)C 271570a_100102525489_100010147682 [1,1,0,0,0,0|2,0,0]=4 801 B13R1.115 CC(=Cc1cccc(c1C=O)F)C 271570a_100102525489_100000210083 [1,1,0,0,0,0|2,0,0]=4 802 B13R1.115 CC(=Cc1cccc(c1C=O)N)C 271570a_100102525489_100010232536 [1,1,0,0,0,0|2,0,0]=4 803 B13R1.115 CC(=Cc1cccc(c1C=O)O)C 271570a_100102525489_100009814793 [1,1,0,0,0,0|2,0,0]=4 804 B13R1.115 CC(=O)Nc1cccc(c1CO)Br 527a_100000747656_100103153847 [1,1,0,0,0,0|1,0,1]=4 805 B13R1.115 CC(=O)Nc1cccc(c1CO)F 22a_100011846719_100000070787 [1,1,0,0,0,0|1,0,1]=4 806 B13R1.380 C=C=Cc1ccccc1CC(=O)C 271570a_100015277604_100011350739 [1,1,0,0,0,0|2,0,0]=4 807 B13R1.380 C=C=Cc1ccccc1NC(=O)C 271570a_100015277604_100000153524 [1,1,0,0,0,0|2,0,0]=4 808 B13R1.380 C=C=Cc1ccccc1OC(=O)C 271570a_100015277604_100000051690 [1,1,0,0,0,0|1,0,0]=3 809 B13R1.380 C=C=Cc1ncccc1OC(=O)C 271570a_100015277604_200009815371 [1,1,0,0,0,0|2,0,0]=4 810 B13R1.380 C=CCc1ccccc1NC(=O)C 11a_200138433279_100015343762 [1,1,0,0,0,0|2,0,0]=4 811 B13R1.380 C=CCc1ccccc1NC(=O)C 1626a_200138433279_100015343762 [1,1,0,0,0,0|2,0,0]=4 812 B13R1.380 C=CCc1ccccc1NC(=O)C 22a_200138433279_100000070787 [1,1,0,0,0,0|2,0,0]=4 813 B13R1.380 C=CCc1ccccc1NC(=O)C 527a_200138433279_100103153847 [1,1,0,0,0,0|2,0,0]=4 814 B13R1.380 CC(=O)Nc1ccccc1CCO 22a_100011215289_100000070787 [1,1,0,0,0,0|1,0,1]=4 815 B13R1.380 CC(=O)Nc1ccccc1CCO 527a_100011215289_100103153847 [1,1,0,0,0,0|1,0,1]=4 816 B13R1.380 CC(=O)Nc1ccccc1CO[13CH3] 34a_100000192217_200025704644 [1,1,0,0,0,0|1,0,1]=4 817 B13R1.380 CC(=O)Nc1ccccc1CO[13CH3] 7a_100000192217_200025704644 [1,1,0,0,0,0|1,0,1]=4 818 B13R1.380 CC(=O)Oc1ccccc1SCF 62a_100000051690_100015361967 [1,1,0,0,0,0|1,0,1]=4 819 B13R1.380 CC(=O)Oc1ccccc1SCF 62a_100015361967_100000051690 [1,1,0,0,0,0|1,0,1]=4 820 B13R1.380 CC=Cc1ccccc1CC(=O)C 271570a_100016259895_100011350739 [1,1,0,0,0,0|2,0,0]=4 821 B13R1.380 CC=Cc1ccccc1NC(=O)C 271570a_100016259895_100000153524 [1,1,0,0,0,0|2,0,0]=4 822 B13R1.380 CC=Cc1ccccc1OC(=O)C 271570a_100016259895_100000051690 [1,1,0,0,0,0|1,0,0]=3 823 B13R1.380 CC=Cc1ncccc1OC(=O)C 271570a_100016259895_200009815371 [1,1,0,0,0,0|2,0,0]=4 824 B13R1.380 CCSc1ccccc1OC(=O)C 62a_100000051690_100000210202 [1,1,0,0,0,0|1,0,1]=4 825 B13R1.380 CCSc1ccccc1OC(=O)C 62a_100000210202_100000051690 [1,1,0,0,0,0|1,0,1]=4 826 B13R1.380 CNCc1ccccc1OC(=O)C 270004a_106832991635_100009864558 [1,1,0,0,0,0|1,0,1]=4 827 B13R1.380 COCc1ccccc1NC(=O)C 34a_100000192217_200000210301 [1,1,0,0,0,0|1,0,1]=4 828 B13R1.380 COCc1ccccc1NC(=O)C 7a_100000192217_200000210301 [1,1,0,0,0,0|1,0,1]=4 829 B13R1.2135 CC(=Cc1c(cccc1C=O)F)C 271570a_100102525489_100011998484 [1,1,0,0,0,0|2,0,0]=4 830 B13R1.2135 CC(=Cc1c(cccc1C=O)O)C 271570a_100102525489_100009816417 [1,1,0,0,0,0|2,0,0]=4 831 B13R1.2135 CC(=O)Cc1c(cccc1C=O)F 1458a_100000070787_100010132767 [1,1,0,0,0,0|1,0,0]=3 832 B13R1.2135 CC(=O)Nc1c(cccc1CO)C 22a_100011215590_100000070787 [1,1,0,0,0,0|1,0,1]=4 833 B13R1.3089 C=Cc1ccc(cc1NC(=O)C)C 271570a_100011290941_100000182586 [1,1,0,0,0,0|2,0,0]=4 834 B13R1.3089 C=Cc1ccc(cc1NC(=O)C)F 271570a_100011290941_100012558231 [1,1,0,0,0,0|2,0,0]=4 835 B13R1.3089 C=Cc1ccc(cc1OC(=O)C)F 271570a_100011290941_200015685721 [1,1,0,0,0,0|1,0,0]=3 836 B13R1.3089 CC(=Cc1cc(ccc1C=O)Br)C 271570a_100102525489_100010146562 [1,1,0,0,0,0|2,0,0]=4 837 B13R1.3089 CC(=Cc1cc(ccc1C=O)C)C 271570a_100102525489_100000692596 [1,1,0,0,0,0|2,0,0]=4 838 B13R1.3089 CC(=Cc1cc(ccc1C=O)F)C 271570a_100102525489_100000752949 [1,1,0,0,0,0|2,0,0]=4 839 B13R1.3089 CC(=Cc1cc(ccc1C=O)O)C 271570a_100102525489_100011236494 [1,1,0,0,0,0|2,0,0]=4 840 B13R1.3089 CC(=O)Cc1cc(ccc1C=O)F 1458a_100000070787_100010132768 [1,1,0,0,0,0|1,0,0]=3 841 B13R1.3089 CC(=O)Nc1cc(ccc1CO)C 22a_100000087799_100000070787 [1,1,0,0,0,0|1,0,1]=4 842 B13R1.3089 CC(=O)Oc1cc(ccc1S[13CH3])F 62a_200015685721_200025704644 [1,1,0,0,0,0|2,0,0]=4 843 B13R1.3089 CC(=O)Oc1cc(ccc1S[13CH3])F 62a_200025704644_200015685721 [1,1,0,0,0,0|2,0,0]=4 844 B13R1.3089 COc1ccc(cc1OC(=O)C)O 271570a_203496583355_200011016479 [1,1,0,0,0,0|2,0,0]=4 845 B13R1.3089 CSc1ccc(cc1OC(=O)C)F 62a_200000210301_200015685721 [1,1,0,0,0,0|2,0,0]=4 846 B13R1.3089 CSc1ccc(cc1OC(=O)C)F 62a_200015685721_200000210301 [1,1,0,0,0,0|2,0,0]=4 847 B13R1.141 CC=Cc1ccc(cc1C(=O)C)Br 271570a_100016259895_100012349576 [1,1,0,0,0,0|2,0,0]=4 848 B13R1.141 CC=Cc1ccc(cc1C(=O)C)C 271570a_100016259895_100012361225 [1,1,0,0,0,0|2,0,0]=4 849 B13R1.141 CC=Cc1ccc(cc1C(=O)C)F 271570a_100016259895_100012353695 [1,1,0,0,0,0|2,0,0]=4 850 B13R1.141 CC=Cc1ccc(cc1C(=O)C)N 271570a_100016259895_100012349454 [1,1,0,0,0,0|2,0,0]=4 851 B13R1.141 CC=Cc1ccc(cc1C(=O)N)Br 271570a_100016259895_200000162314 [1,1,0,0,0,0|2,0,0]=4 852 B13R1.141 CC=Cc1ccc(cc1C(=O)N)C 271570a_100016259895_200012349609 [1,1,0,0,0,0|2,0,0]=4 853 B13R1.141 CC=Cc1ccc(cc1C(=O)N)F 271570a_100016259895_100000206434 [1,1,0,0,0,0|2,0,0]=4 854 B13R1.141 CC=Cc1ccc(cc1C(=O)N)N 271570a_100016259895_100015186447 [1,1,0,0,0,0|2,0,0]=4 855 B13R1.141 CCOc1ccc(cc1C(=O)C)Br 1458a_200000215690_200000210301 [1,1,0,0,0,0|1,0,1]=4 856 B13R1.141 CCOc1ccc(cc1C(=O)C)Br 34a_100000212127_100000210202 [1,1,0,0,0,0|1,0,1]=4 857 B13R1.141 CCOc1ccc(cc1C(=O)C)Br 7a_100000212127_100000210202 [1,1,0,0,0,0|1,0,1]=4 858 B13R1.141 CCOc1ccc(cc1C(=O)C)C 34a_100000195442_100000210202 [1,1,0,0,0,0|1,0,1]=4 859 B13R1.141 CCOc1ccc(cc1C(=O)C)C 7a_100000195442_100000210202 [1,1,0,0,0,0|1,0,1]=4 860 B13R1.141 CCOc1ccc(cc1C(=O)C)Cl 1458a_200000215692_200000210301 [1,1,0,0,0,0|1,0,1]=4 861 B13R1.141 CCOc1ccc(cc1C(=O)C)Cl 34a_100000185566_100000210202 [1,1,0,0,0,0|1,0,1]=4 862 B13R1.141 CCOc1ccc(cc1C(=O)C)Cl 7a_100000185566_100000210202 [1,1,0,0,0,0|1,0,1]=4 863 B13R1.141 CCOc1ccc(cc1C(=O)C)F 7a_100000182812_100000210202 [1,1,0,0,0,0|1,0,1]=4 864 B13R1.141 CCOc1ccc(cc1C(=O)C)I 7a_100010712555_100000210202 [1,1,0,0,0,0|1,0,1]=4 865 B13R1.141 CCOc1ccc(cc1C(=O)C)N 34a_100011218865_100000210202 [1,1,0,0,0,0|1,0,1]=4 866 B13R1.141 CCOc1ccc(cc1C(=O)C)O 271570a_203496583355_100000173016 [1,1,0,0,0,0|1,0,1]=4 867 B13R1.141 CCOc1ccc(cc1C(=O)N)Br 34a_100000192807_100000210202 [1,1,0,0,0,0|1,0,1]=4 868 B13R1.141 CCOc1ccc(cc1C(=O)N)Br 7a_100000192807_100000210202 [1,1,0,0,0,0|1,0,1]=4 869 B13R1.141 CCOc1ccc(cc1C(=O)N)C 34a_200000192840_100000210202 [1,1,0,0,0,0|1,0,1]=4 870 B13R1.141 CCOc1ccc(cc1C(=O)N)C 7a_200000192840_100000210202 [1,1,0,0,0,0|1,0,1]=4 871 B13R1.141 CCOc1ccc(cc1C(=O)N)Cl 34a_100000185026_100000210202 [1,1,0,0,0,0|1,0,1]=4 872 B13R1.141 CCOc1ccc(cc1C(=O)N)Cl 7a_100000185026_100000210202 [1,1,0,0,0,0|1,0,1]=4 873 B13R1.141 CCOc1ccc(cc1C(=O)N)F 34a_100012186459_100000210202 [1,1,0,0,0,0|1,0,1]=4 874 B13R1.141 CCOc1ccc(cc1C(=O)N)F 7a_100012186459_100000210202 [1,1,0,0,0,0|1,0,1]=4 875 B13R1.141 CCOc1ccc(cc1C(=O)N)I 34a_100000192813_100000210202 [1,1,0,0,0,0|1,0,1]=4 876 B13R1.141 CCOc1ccc(cc1C(=O)N)I 7a_100000192813_100000210202 [1,1,0,0,0,0|1,0,1]=4 877 B13R1.141 CCOc1ccc(cc1C(=O)[13CH3])Br 1458a_200000215690_200025704644 [1,1,0,0,0,0|1,0,1]=4 878 B13R1.141 CCOc1ccc(cc1C(=O)[13CH3])Cl 1458a_200000215692_200025704644 [1,1,0,0,0,0|1,0,1]=4 879 B13R1.141 CCSc1ccc(cc1C(=O)O)Br 62a_100011072988_100000210202 [1,1,0,0,0,0|0,1,1]=4 880 B13R1.356 CC=Cc1cc(ccc1C(=O)C)C 271570a_100016259895_100012353930 [1,1,0,0,0,0|2,0,0]=4 881 B13R1.356 CC=Cc1cc(ccc1C(=O)C)F 271570a_100016259895_100000686192 [1,1,0,0,0,0|2,0,0]=4 882 B13R1.356 CC=Cc1cc(ccc1C(=O)C)O 271570a_100016259895_100012340537 [1,1,0,0,0,0|2,0,0]=4 883 B13R1.356 CC=Cc1cc(ccc1C(=O)N)Br 271570a_100016259895_100009815748 [1,1,0,0,0,0|2,0,0]=4 884 B13R1.356 CC=Cc1cc(ccc1C(=O)N)F 271570a_100016259895_100000206404 [1,1,0,0,0,0|2,0,0]=4 885 B13R1.356 CCOc1cc(ccc1C(=O)C)Br 7a_100000188348_100000210202 [1,1,0,0,0,0|1,0,1]=4 886 B13R1.356 CCOc1cc(ccc1C(=O)C)C 34a_100000234885_100000210202 [1,1,0,0,0,0|1,0,1]=4 887 B13R1.356 CCOc1cc(ccc1C(=O)C)C 7a_100000234885_100000210202 [1,1,0,0,0,0|1,0,1]=4 888 B13R1.356 CCOc1cc(ccc1C(=O)C)Cl 34a_100000061402_100000210202 [1,1,0,0,0,0|1,0,1]=4 889 B13R1.356 CCOc1cc(ccc1C(=O)C)Cl 7a_100000061402_100000210202 [1,1,0,0,0,0|1,0,1]=4 890 B13R1.356 CCOc1cc(ccc1C(=O)C)F 7a_100011215782_100000210202 [1,1,0,0,0,0|1,0,1]=4 891 B13R1.356 CCOc1cc(ccc1C(=O)N)Br 34a_100011550861_100000210202 [1,1,0,0,0,0|1,0,1]=4 892 B13R1.356 CCOc1cc(ccc1C(=O)N)Br 7a_100011550861_100000210202 [1,1,0,0,0,0|1,0,1]=4 893 B13R1.356 CCOc1cc(ccc1C(=O)N)C 34a_100000192831_100000210202 [1,1,0,0,0,0|1,0,1]=4 894 B13R1.356 CCOc1cc(ccc1C(=O)N)C 7a_100000192831_100000210202 [1,1,0,0,0,0|1,0,1]=4 895 B13R1.356 CCOc1cc(ccc1C(=O)N)Cl 34a_100000192836_100000210202 [1,1,0,0,0,0|1,0,1]=4 896 B13R1.356 CCOc1cc(ccc1C(=O)N)Cl 7a_100000192836_100000210202 [1,1,0,0,0,0|1,0,1]=4 897 B13R1.356 CCOc1cc(ccc1C(=O)N)N 34a_100000223280_100000210202 [1,1,0,0,0,0|1,0,1]=4 898 B13R1.356 CCOc1cc(ccc1C(=O)N)N 7a_100000223280_100000210202 [1,1,0,0,0,0|1,0,1]=4 899 B13R1.356 CCOc1cc(ccc1C(=O)N)O 271570a_203496583355_200010071310 [1,1,0,0,0,0|1,0,1]=4 900 B13R1.382 CC=Cc1ccccc1C(=O)NC 271570a_100016259895_100000155073 [1,1,0,0,0,0|2,0,0]=4 901 B13R1.382 CC=Cc1ccccc1C(=O)NN 271570a_100016259895_100000190081 [1,1,0,0,0,0|2,0,0]=4 902 B13R1.382 CC=Cc1ccccc1C(=O)OC 271570a_100016259895_100000148710 [1,1,0,0,0,0|1,0,0]=3 903 B13R1.382 CC=Cc1cccnc1C(=O)OC 271570a_100016259895_100011935214 [1,1,0,0,0,0|2,0,0]=4 904 B13R1.382 CC=Cc1ccncc1C(=O)OC 271570a_100016259895_100020629055 [1,1,0,0,0,0|2,0,0]=4 905 B13R1.382 CC=Cc1cnccc1C(=O)OC 271570a_100016259895_100010008606 [1,1,0,0,0,0|2,0,0]=4 906 B13R1.382 CC=Cc1ncccc1C(=O)OC 271570a_100016259895_100000150852 [1,1,0,0,0,0|2,0,0]=4 907 B13R1.382 CCOc1ccccc1C(=NO)C 34a_100000164216_100000210202 [1,1,0,0,0,0|1,0,1]=4 908 B13R1.382 CCOc1ccccc1C(=O)CBr 7a_100000188908_100000210202 [1,1,0,0,0,0|1,0,1]=4 909 B13R1.382 CCOc1ccccc1C(=O)CC 1458a_100000211144_100000210202 [1,1,0,0,0,0|1,0,1]=4 910 B13R1.382 CCOc1ccccc1C(=O)CC 7a_100000184720_100000210202 [1,1,0,0,0,0|1,0,1]=4 911 B13R1.382 CCOc1ccccc1C(=O)CF 1458a_100000211144_100015361967 [1,1,0,0,0,0|1,0,1]=4 912 B13R1.382 CCOc1ccccc1C(=O)NC 11a_106832991635_100000211144 [1,1,0,0,0,0|1,0,1]=4 913 B13R1.382 CCOc1ccccc1C(=O)NC 1626a_100102657272_100000211144 [1,1,0,0,0,0|1,0,1]=4 914 B13R1.382 CCOc1ccccc1C(=O)NC 240690a_100102657272_100000211144 [1,1,0,0,0,0|1,0,1]=4 915 B13R1.382 CCOc1ccccc1C(=O)NC 34a_100000185920_100000210202 [1,1,0,0,0,0|1,0,1]=4 916 B13R1.382 CCOc1ccccc1C(=O)NC 527a_100102657272_100000211144 [1,1,0,0,0,0|1,0,1]=4 917 B13R1.382 CCOc1ccccc1C(=O)NC 7a_100000185920_100000210202 [1,1,0,0,0,0|1,0,1]=4 918 B13R1.382 CCOc1ccccc1C(=O)NN 34a_100000186518_100000210202 [1,1,0,0,0,0|1,0,1]=4 919 B13R1.382 CCOc1ccccc1C(=O)NO 34a_100000188472_100000210202 [1,1,0,0,0,0|0,0,1]=3 920 B13R1.382 CCOc1ccccc1C(=O)OC 7a_100000150335_100000210202 [1,1,0,0,0,0|0,0,1]=3 921 B13R1.382 CCOc1cccnc1C(=O)OC 34a_100000744052_100000210202 [1,1,0,0,0,0|1,0,1]=4 922 B13R1.382 CCOc1cccnc1C(=O)OC 7a_100000744052_100000210202 [1,1,0,0,0,0|1,0,1]=4 923 B13R1.382 CCSc1ccccc1C(=O)OC 62a_100000148710_100000210202 [1,1,0,0,0,0|0,1,1]=4 924 B13R1.382 CCSc1ccccc1C(=O)OC 62a_100000210202_100000148710 [1,1,0,0,0,0|0,1,1]=4 925 B13R1.382 CCSc1ccccc1C(=O)O[Na] 62a_100000210202_114855342371 [1,1,0,0,0,0|0,1,1]=4 926 B13R1.382 CNCc1ccccc1C(=O)OC 2230a_106832991635_100000744672 [1,1,0,0,0,0|2,0,0]=4 927 B13R1.382 CNCc1ccccc1C(=O)OC 34a_100102657272_100000744672 [1,1,0,0,0,0|2,0,0]=4 928 B13R1.382 CNCc1ccccc1C(=O)OC 7a_106832991635_100000744672 [1,1,0,0,0,0|2,0,0]=4 929 B13R1.382 COC(=O)c1ccccc1CSC 62a_100000744672_200000210301 [1,1,0,0,0,0|2,0,0]=4 930 B13R1.382 COC(=O)c1ccccc1CSC 62a_200000210301_100000744672 [1,1,0,0,0,0|2,0,0]=4 931 B13R1.382 COC(=O)c1ccccc1CS[13CH3] 62a_100000744672_200025704644 [1,1,0,0,0,0|2,0,0]=4 932 B13R1.382 COC(=O)c1ccccc1CS[13CH3] 62a_200025704644_100000744672 [1,1,0,0,0,0|2,0,0]=4 933 B13R1.382 COC(=O)c1ccccc1OCF 7a_100000150335_100015361967 [1,1,0,0,0,0|1,0,1]=4 934 B13R1.382 COCc1ccccc1C(=O)OC 34a_100138415774_100000744672 [1,1,0,0,0,0|2,0,0]=4 935 B13R1.382 O=C(NO)c1ccccc1OCF 34a_100000188472_100015361967 [1,1,0,0,0,0|1,0,1]=4 936 B13R1.572 C=CCOc1ccccc1C(=O)C 1458a_100000189412_200000210301 [1,1,0,0,0,0|1,0,1]=4 937 B13R1.572 C=CCOc1ccccc1C(=O)N 34a_100000192804_100015514636 [1,1,0,0,0,0|1,0,1]=4 938 B13R1.572 C=CCOc1ccccc1C(=O)N 7a_100000192804_100015514636 [1,1,0,0,0,0|1,0,1]=4 939 B13R1.572 C=CCOc1ccccc1C(=O)[13CH3] 1458a_100000189412_200025704644 [1,1,0,0,0,0|1,0,1]=4 940 B13R1.572 C=CCOc1ccccc1C(=O)[O-] 7a_100015234032_100015514636 [1,1,0,0,0,0|0,0,2]=4 941 B13R1.572 C=CCSc1ccccc1C(=O)O 62a_100000210623_100000734275 [1,1,0,0,0,0|0,1,1]=4 942 B13R1.572 C=CCSc1ccccc1C(=O)O 62a_202125556159_100000210623 [1,1,0,0,0,0|0,1,1]=4 943 B13R1.572 CC(=O)c1ccccc1OCCO 1458a_200000217288_200000210301 [1,1,0,0,0,0|1,0,1]=4 944 B13R1.572 CC(=O)c1ccccc1SCC=O 62a_100000751169_200015260668 [1,1,0,0,0,0|1,1,0]=4 945 B13R1.572 CC(=O)c1ccncc1OCC=O 7a_100009872882_200015260668 [1,1,0,0,0,0|2,0,0]=4 946 B13R1.572 CC(=O)c1ncccc1OCC=O 34a_100000087166_200009817547 [1,1,0,0,0,0|2,0,0]=4 947 B13R1.572 CC(=O)c1ncccc1OCC=O 7a_100000087166_200015260668 [1,1,0,0,0,0|2,0,0]=4 948 B13R1.572 CC(O)c1ccccc1OCC=O 34a_200011232679_200009817547 [1,1,0,0,0,0|1,0,1]=4 949 B13R1.572 CC(O)c1ccccc1OCC=O 7a_200011232679_200015260668 [1,1,0,0,0,0|1,0,1]=4 950 B13R1.572 CCCOc1ccccc1C(=O)C 1458a_100000215688_200000210301 [1,1,0,0,0,0|1,0,1]=4 951 B13R1.572 CCCOc1ccccc1C(=O)N 34a_100000192804_100000210303 [1,1,0,0,0,0|1,0,1]=4 952 B13R1.572 CCCOc1ccccc1C(=O)N 7a_100000192804_100000210303 [1,1,0,0,0,0|1,0,1]=4 953 B13R1.572 CCCOc1ccccc1C(=O)[13CH3] 1458a_100000215688_200025704644 [1,1,0,0,0,0|1,0,1]=4 954 B13R1.572 CCCOc1ccccc1C(=O)[O-] 7a_100015234032_100000210303 [1,1,0,0,0,0|0,0,2]=4 955 B13R1.572 CCCSc1ccccc1C(=O)O 62a_100000210303_100000734275 [1,1,0,0,0,0|0,1,1]=4 956 B13R1.572 CCCSc1ccccc1C(=O)O 62a_202125556159_100000210303 [1,1,0,0,0,0|0,1,1]=4 957 B13R1.572 CCNCc1ccccc1C(=O)O 269956a_100015183376_100000210202 [1,1,0,0,0,0|1,0,1]=4 958 B13R1.572 COCSc1ccccc1C(=O)O 62a_100000766300_100000734275 [1,1,0,0,0,0|0,1,1]=4 959 B13R1.572 COCSc1ccccc1C(=O)O 62a_202125556159_100000766300 [1,1,0,0,0,0|0,1,1]=4 960 B13R1.572 CSCOc1ccccc1C(=O)N 34a_100000192804_100011218213 [1,1,0,0,0,0|1,0,1]=4 961 B13R1.572 CSCSc1ccccc1C(=O)O 62a_100011218213_100000734275 [1,1,0,0,0,0|0,1,1]=4 962 B13R1.572 CSCSc1ccccc1C(=O)O 62a_202125556159_100011218213 [1,1,0,0,0,0|0,1,1]=4 963 B13R1.572 NC(=O)c1ccccc1NCC=O 34a_100000185089_200009817547 [1,1,0,0,0,0|2,0,0]=4 964 B13R1.572 NC(=O)c1ccccc1OCC=O 34a_100000192804_200009817547 [1,1,0,0,0,0|1,0,0]=3 965 B13R1.572 NC(=O)c1ccccc1OCC=O 7a_100000192804_200015260668 [1,1,0,0,0,0|1,0,0]=3 966 B13R1.572 NC(=O)c1ccccc1OCCF 34a_100000192804_100011217306 [1,1,0,0,0,0|1,0,1]=4 967 B13R1.572 NC(=O)c1ccccc1OCCF 7a_100000192804_100011217306 [1,1,0,0,0,0|1,0,1]=4 968 B13R1.572 NC(=O)c1ccccc1OCCO 34a_100000192804_100000211926 [1,1,0,0,0,0|1,0,1]=4 969 B13R1.572 NC(=O)c1ccccc1OCCO 7a_100000192804_100000211926 [1,1,0,0,0,0|1,0,1]=4 970 B13R1.572 NC(=O)c1ccccc1SCC=O 62a_100000162227_200015260668 [1,1,0,0,0,0|1,1,0]=4 971 B13R1.572 NC(=O)c1ccccc1SCC=O 62a_200015260668_100000162227 [1,1,0,0,0,0|1,1,0]=4 972 B13R1.572 NC(=O)c1ccncc1OCC=O 7a_100012022987_200015260668 [1,1,0,0,0,0|2,0,0]=4 973 B13R1.572 NC(=O)c1cnccc1OCC=O 34a_200011998761_200009817547 [1,1,0,0,0,0|2,0,0]=4 974 B13R1.572 NC(=O)c1ncccc1OCC=O 34a_200011215183_200009817547 [1,1,0,0,0,0|2,0,0]=4 975 B13R1.572 NC(=O)c1ncccc1OCC=O 7a_200011215183_200015260668 [1,1,0,0,0,0|2,0,0]=4 976 B13R1.572 NC(=S)c1ccccc1OCC=O 7a_100000745089_200015260668 [1,1,0,0,0,0|1,1,0]=4 977 B13R1.572 O=C(O)c1ccccc1CNCF 269956a_100015183376_100015361967 [1,1,0,0,0,0|2,0,0]=4 978 B13R1.572 O=C(O)c1ccccc1SCCF 62a_100011217306_100000734275 [1,1,0,0,0,0|0,1,1]=4 979 B13R1.572 O=C(O)c1ccccc1SCCF 62a_202125556159_100011217306 [1,1,0,0,0,0|0,1,1]=4 980 B13R1.572 O=C(O)c1ccccc1SCCO 62a_100000211926_100000734275 [1,1,0,0,0,0|0,1,1]=4 981 B13R1.572 O=C(O)c1ccccc1SCCO 62a_202125556159_100000211926 [1,1,0,0,0,0|0,1,1]=4 982 B13R1.572 O=C([O-])c1ccccc1OCCF 7a_100015234032_100011217306 [1,1,0,0,0,0|0,0,2]=4 983 B13R1.572 O=C([O-])c1ccccc1OCCO 7a_100015234032_100000211926 [1,1,0,0,0,0|0,0,2]=4 984 B13R1.572 O=CCOc1ccccc1C(=O)[O-] 7a_100015234032_200015260668 [1,1,0,0,0,0|0,0,1]=3 985 B13R1.572 O=CCOc1ccccc1[N+](=O)[O-] 34a_100000186319_200009817547 [1,1,0,0,0,0|1,0,1]=4 986 B13R1.572 O=CCOc1ccccc1[N+](=O)[O-] 7a_100000186319_200015260668 [1,1,0,0,0,0|1,0,1]=4 987 B13R1.572 O=CCSc1ccccc1C(=O)O 62a_200015260668_100000734275 [1,1,0,0,0,0|0,1,0]=3 988 B13R1.572 O=CCSc1ccccc1C(=O)O 62a_202125556159_200015260668 [1,1,0,0,0,0|0,1,0]=3 989 B13R1.572 [13CH3]C(=O)c1ccccc1OCCO 1458a_200000217288_200025704644 [1,1,0,0,0,0|1,0,1]=4 990 B13R1.2897 CC=Cc1cccc(c1C(=O)C)F 271570a_100016259895_100012351873 [1,1,0,0,0,0|2,0,0]=4 991 B13R1.2897 CC=Cc1cccc(c1C(=O)C)O 271570a_100016259895_100010174959 [1,1,0,0,0,0|2,0,0]=4 992 B13R1.2897 CC=Cc1cccc(c1C(=O)N)Cl 271570a_100016259895_100010147686 [1,1,0,0,0,0|2,0,0]=4 993 B13R1.2897 CC=Cc1cccc(c1C(=O)N)F 271570a_100016259895_100011219063 [1,1,0,0,0,0|2,0,0]=4 994 B13R1.2897 CCOc1cccc(c1C(=O)C)Br 34a_100010174959_100000210202 [1,1,0,0,0,0|1,0,1]=4 995 B13R1.2897 CCOc1cccc(c1C(=O)C)Br 7a_100010174959_100000210202 [1,1,0,0,0,0|1,0,1]=4 996 B13R1.2897 CCOc1cccc(c1C(=O)C)C 1458a_200009913675_200000210301 [1,1,0,0,0,0|1,0,1]=4 997 B13R1.2897 CCOc1cccc(c1C(=O)C)C 34a_100009860897_100000210202 [1,1,0,0,0,0|1,0,1]=4 998 B13R1.2897 CCOc1cccc(c1C(=O)C)C 7a_100009860897_100000210202 [1,1,0,0,0,0|1,0,1]=4 999 B13R1.2897 CCOc1cccc(c1C(=O)C)Cl 34a_100000730630_100000210202 [1,1,0,0,0,0|1,0,1]=4 1000 B13R1.2897 CCOc1cccc(c1C(=O)C)Cl 7a_100000730630_100000210202 [1,1,0,0,0,0|1,0,1]=4 1001 B13R1.2897 CCOc1cccc(c1C(=O)C)F 34a_100011216272_100000210202 [1,1,0,0,0,0|1,0,1]=4 1002 B13R1.2897 CCOc1cccc(c1C(=O)C)F 7a_100011216272_100000210202 [1,1,0,0,0,0|1,0,1]=4 1003 B13R1.2897 CCOc1cccc(c1C(=O)N)F 34a_100000701607_100000210202 [1,1,0,0,0,0|1,0,1]=4 1004 B13R1.2897 CCOc1cccc(c1C(=O)N)F 7a_100000701607_100000210202 [1,1,0,0,0,0|1,0,1]=4 1005 B13R1.2897 CCOc1cccc(c1C(=O)[13CH3])C 1458a_200009913675_200025704644 [1,1,0,0,0,0|1,0,1]=4 1006 B13R1.4012 CC=Cc1c(cccc1C(=O)C)F 271570a_100016259895_100012362612 [1,1,0,0,0,0|2,0,0]=4 1007 B13R1.4012 CC=Cc1c(cccc1C(=O)N)C 271570a_100016259895_200011409216 [1,1,0,0,0,0|2,0,0]=4 1008 B13R1.4012 CC=Cc1c(cccc1C(=O)N)F 271570a_100016259895_200012351544 [1,1,0,0,0,0|2,0,0]=4 1009 B13R1.4012 CCOc1c(cccc1C(=O)C)C 34a_100009847209_100000210202 [1,1,0,0,0,0|1,0,1]=4 1010 B13R1.4012 CCOc1c(cccc1C(=O)C)C 7a_100009847209_100000210202 [1,1,0,0,0,0|1,0,1]=4 1011 B13R1.4012 CCOc1c(cccc1C(=O)C)Cl 34a_100000043392_100000210202 [1,1,0,0,0,0|1,0,1]=4 1012 B13R1.4012 CCOc1c(cccc1C(=O)C)Cl 7a_100000043392_100000210202 [1,1,0,0,0,0|1,0,1]=4 1013 B13R1.4012 CCOc1c(cccc1C(=O)C)F 34a_100011246037_100000210202 [1,1,0,0,0,0|1,0,1]=4 1014 B13R1.4012 CCOc1c(cccc1C(=O)C)F 7a_100011246037_100000210202 [1,1,0,0,0,0|1,0,1]=4 1015 B13R1.4012 CCOc1c(cccc1C(=O)N)Cl 34a_100009868166_100000210202 [1,1,0,0,0,0|1,0,1]=4 1016 B13R1.4012 CCOc1c(cccc1C(=O)N)Cl 7a_100009868166_100000210202 [1,1,0,0,0,0|1,0,1]=4 1017 B13R1.4012 CCOc1c(cccc1C(=O)N)F 34a_100009886295_100000210202 [1,1,0,0,0,0|1,0,1]=4 1018 B13R1.4012 CCOc1c(cccc1C(=O)N)F 7a_100009886295_100000210202 [1,1,0,0,0,0|1,0,1]=4 1019 B13R1.165 C=C(C)c1cc(ccc1C(=O)C)C 271570a_100000694244_100012353930 [0,1,0,0,1,0|2,0,0]=4 1020 B13R1.165 C=C(C)c1cc(ccc1C(=O)C)F 271570a_100000694244_100000686192 [0,1,0,0,1,0|2,0,0]=4 1021 B13R1.165 C=C(C)c1cc(ccc1C(=O)C)O 271570a_100000694244_100012340537 [0,1,0,0,1,0|2,0,0]=4 1022 B13R1.165 C=C(C)c1cc(ccc1C(=O)N)Br 271570a_100000694244_100009815748 [0,1,0,0,1,0|2,0,0]=4 1023 B13R1.165 C=C(C)c1cc(ccc1C(=O)N)F 271570a_100000694244_100000206404 [0,1,0,0,1,0|2,0,0]=4 1024 B13R1.165 C=C(C)c1ccc(cc1C(=O)C)Br 271570a_100000694244_100012349576 [0,1,0,0,1,0|2,0,0]=4 1025 B13R1.165 C=C(C)c1ccc(cc1C(=O)C)C 271570a_100000694244_100012361225 [0,1,0,0,1,0|2,0,0]=4 1026 B13R1.165 C=C(C)c1ccc(cc1C(=O)C)F 271570a_100000694244_100012353695 [0,1,0,0,1,0|2,0,0]=4 1027 B13R1.165 C=C(C)c1ccc(cc1C(=O)C)N 271570a_100000694244_100012349454 [0,1,0,0,1,0|2,0,0]=4 1028 B13R1.165 C=C(C)c1ccc(cc1C(=O)N)Br 271570a_100000694244_200000162314 [0,1,0,0,1,0|2,0,0]=4 1029 B13R1.165 C=C(C)c1ccc(cc1C(=O)N)C 271570a_100000694244_200012349609 [0,1,0,0,1,0|2,0,0]=4 1030 B13R1.165 C=C(C)c1ccc(cc1C(=O)N)F 271570a_100000694244_100000206434 [0,1,0,0,1,0|2,0,0]=4 1031 B13R1.165 C=C(C)c1ccc(cc1C(=O)N)N 271570a_100000694244_100015186447 [0,1,0,0,1,0|2,0,0]=4 1032 B13R1.165 CC(=O)c1cc(ccc1[N+](=O)[O-])Br 1458a_100009992657_200000210301 [0,1,0,0,1,0|1,0,1]=4 1033 B13R1.165 CC(=O)c1cc(ccc1[N+](=O)[O-])C 1458a_100000763269_200000210301 [0,1,0,0,1,0|1,0,1]=4 1034 B13R1.165 CC(=O)c1cc(ccc1[N+](=O)[O-])Cl 1458a_100000210914_200000210301 [0,1,0,0,1,0|1,0,1]=4 1035 B13R1.165 CC(=O)c1cc(ccc1[N+](=O)[O-])I 1458a_100010186413_200000210301 [0,1,0,0,1,0|1,0,1]=4 1036 B13R1.165 CC(=O)c1cc(ccc1[N+](=O)[O-])O 1458a_100000692585_200000210301 [0,1,0,0,1,0|1,0,1]=4 1037 B13R1.165 CC(=O)c1ccc(cc1[N+](=O)[O-])Br 1458a_100000767047_200000210301 [0,1,0,0,1,0|1,0,1]=4 1038 B13R1.165 CC(=O)c1ccc(cc1[N+](=O)[O-])C 1458a_100011827699_200000210301 [0,1,0,0,1,0|1,0,1]=4 1039 B13R1.165 CC(=O)c1ccc(cc1[N+](=O)[O-])Cl 1458a_100000210460_200000210301 [0,1,0,0,1,0|1,0,1]=4 1040 B13R1.165 CC(=O)c1ccc(cc1[N+](=O)[O-])F 1458a_100000686224_200000210301 [0,1,0,0,1,0|1,0,1]=4 1041 B13R1.165 CC(=O)c1ccc(cc1[N+](=O)[O-])I 1458a_100000718686_200000210301 [0,1,0,0,1,0|1,0,1]=4 1042 B13R1.165 CC(=O)c1ccc(cc1[N+](=O)[O-])O 1458a_100000701580_200000210301 [0,1,0,0,1,0|1,0,1]=4 1043 B13R1.165 Cc1ccc(c(c1)C(=O)[13CH3])[N+](=O)[O-] 1458a_100000763269_200025704644 [0,1,0,0,1,0|1,0,1]=4 1044 B13R1.165 Cc1ccc(c(c1)[N+](=O)[O-])C(=O)[13CH3] 1458a_100011827699_200025704644 [0,1,0,0,1,0|1,0,1]=4 1045 B13R1.165 [13CH3]C(=O)c1cc(ccc1[N+](=O)[O-])Br 1458a_100009992657_200025704644 [0,1,0,0,1,0|1,0,1]=4 1046 B13R1.165 [13CH3]C(=O)c1cc(ccc1[N+](=O)[O-])Cl 1458a_100000210914_200025704644 [0,1,0,0,1,0|1,0,1]=4 1047 B13R1.165 [13CH3]C(=O)c1cc(ccc1[N+](=O)[O-])I 1458a_100010186413_200025704644 [0,1,0,0,1,0|1,0,1]=4 1048 B13R1.165 [13CH3]C(=O)c1cc(ccc1[N+](=O)[O-])O 1458a_100000692585_200025704644 [0,1,0,0,1,0|1,0,1]=4 1049 B13R1.165 [13CH3]C(=O)c1ccc(cc1[N+](=O)[O-])Br 1458a_100000767047_200025704644 [0,1,0,0,1,0|1,0,1]=4 1050 B13R1.165 [13CH3]C(=O)c1ccc(cc1[N+](=O)[O-])Cl 1458a_100000210460_200025704644 [0,1,0,0,1,0|1,0,1]=4 1051 B13R1.165 [13CH3]C(=O)c1ccc(cc1[N+](=O)[O-])F 1458a_100000686224_200025704644 [0,1,0,0,1,0|1,0,1]=4 1052 B13R1.165 [13CH3]C(=O)c1ccc(cc1[N+](=O)[O-])I 1458a_100000718686_200025704644 [0,1,0,0,1,0|1,0,1]=4 1053 B13R1.165 [13CH3]C(=O)c1ccc(cc1[N+](=O)[O-])O 1458a_100000701580_200025704644 [0,1,0,0,1,0|1,0,1]=4 1054 B13R1.295 C=C(C)c1c(cccc1C(=O)C)F 271570a_100000694244_100012362612 [0,1,0,0,1,0|2,0,0]=4 1055 B13R1.295 C=C(C)c1c(cccc1C(=O)N)C 271570a_100000694244_200011409216 [0,1,0,0,1,0|2,0,0]=4 1056 B13R1.295 C=C(C)c1c(cccc1C(=O)N)F 271570a_100000694244_200012351544 [0,1,0,0,1,0|2,0,0]=4 1057 B13R1.295 C=C(C)c1cccc(c1C(=O)C)F 271570a_100000694244_100012351873 [0,1,0,0,1,0|2,0,0]=4 1058 B13R1.295 C=C(C)c1cccc(c1C(=O)C)O 271570a_100000694244_100010174959 [0,1,0,0,1,0|2,0,0]=4 1059 B13R1.295 C=C(C)c1cccc(c1C(=O)N)Cl 271570a_100000694244_100010147686 [0,1,0,0,1,0|2,0,0]=4 1060 B13R1.295 C=C(C)c1cccc(c1C(=O)N)F 271570a_100000694244_100011219063 [0,1,0,0,1,0|2,0,0]=4 1061 B13R1.295 CC(=O)c1c(cccc1[N+](=O)[O-])Br 1458a_100000690006_200000210301 [0,1,0,0,1,0|1,0,1]=4 1062 B13R1.295 CC(=O)c1c(cccc1[N+](=O)[O-])C 1458a_100000234352_200000210301 [0,1,0,0,1,0|1,0,1]=4 1063 B13R1.295 CC(=O)c1c(cccc1[N+](=O)[O-])Cl 1458a_100000752432_200000210301 [0,1,0,0,1,0|1,0,1]=4 1064 B13R1.295 CC(=O)c1c(cccc1[N+](=O)[O-])F 1458a_100011219868_200000210301 [0,1,0,0,1,0|1,0,1]=4 1065 B13R1.295 CC(=O)c1c(cccc1[N+](=O)[O-])O 1458a_100012186653_200000210301 [0,1,0,0,1,0|1,0,1]=4 1066 B13R1.295 CC(=O)c1cccc(c1[N+](=O)[O-])Br 1458a_100010232116_200000210301 [0,1,0,0,1,0|1,0,1]=4 1067 B13R1.295 CC(=O)c1cccc(c1[N+](=O)[O-])C 1458a_100000211462_200000210301 [0,1,0,0,1,0|1,0,1]=4 1068 B13R1.295 CC(=O)c1cccc(c1[N+](=O)[O-])Cl 1458a_100000766603_200000210301 [0,1,0,0,1,0|1,0,1]=4 1069 B13R1.295 CC(=O)c1cccc(c1[N+](=O)[O-])F 1458a_100000068878_200000210301 [0,1,0,0,1,0|1,0,1]=4 1070 B13R1.295 CC(=O)c1cccc(c1[N+](=O)[O-])O 1458a_100000688640_200000210301 [0,1,0,0,1,0|1,0,1]=4 1071 B13R1.295 Cc1cccc(c1C(=O)[13CH3])[N+](=O)[O-] 1458a_100000234352_200025704644 [0,1,0,0,1,0|1,0,1]=4 1072 B13R1.295 Cc1cccc(c1[N+](=O)[O-])C(=O)[13CH3] 1458a_100000211462_200025704644 [0,1,0,0,1,0|1,0,1]=4 1073 B13R1.295 [13CH3]C(=O)c1c(cccc1[N+](=O)[O-])Br 1458a_100000690006_200025704644 [0,1,0,0,1,0|1,0,1]=4 1074 B13R1.295 [13CH3]C(=O)c1c(cccc1[N+](=O)[O-])Cl 1458a_100000752432_200025704644 [0,1,0,0,1,0|1,0,1]=4 1075 B13R1.295 [13CH3]C(=O)c1c(cccc1[N+](=O)[O-])F 1458a_100011219868_200025704644 [0,1,0,0,1,0|1,0,1]=4 1076 B13R1.295 [13CH3]C(=O)c1c(cccc1[N+](=O)[O-])O 1458a_100012186653_200025704644 [0,1,0,0,1,0|1,0,1]=4 1077 B13R1.295 [13CH3]C(=O)c1cccc(c1[N+](=O)[O-])Br 1458a_100010232116_200025704644 [0,1,0,0,1,0|1,0,1]=4 1078 B13R1.295 [13CH3]C(=O)c1cccc(c1[N+](=O)[O-])Cl 1458a_100000766603_200025704644 [0,1,0,0,1,0|1,0,1]=4 1079 B13R1.295 [13CH3]C(=O)c1cccc(c1[N+](=O)[O-])F 1458a_100000068878_200025704644 [0,1,0,0,1,0|1,0,1]=4 1080 B13R1.295 [13CH3]C(=O)c1cccc(c1[N+](=O)[O-])O 1458a_100000688640_200025704644 [0,1,0,0,1,0|1,0,1]=4 1081 B13R1.349 CC(=O)c1ccccc1S(=O)(=O)C 1458a_100000185186_200000210301 [0,1,0,0,1,0|1,0,1]=4 1082 B13R1.349 CC(=O)c1ccccc1S(=O)(=O)N 1458a_100015187736_200000210301 [0,1,0,0,1,0|1,0,1]=4 1083 B13R1.349 CS(=O)(=O)c1ccccc1C(=O)[13CH3] 1458a_100000185186_200025704644 [0,1,0,0,1,0|1,0,1]=4 1084 B13R1.349 [13CH3]C(=O)c1ccccc1S(=O)(=O)N 1458a_100015187736_200025704644 [0,1,0,0,1,0|1,0,1]=4 1085 B13R1.551 COC(=O)c1ccoc1CC(=O)C 1458a_100000070787_100009813464 [0,1,0,0,1,0|2,0,0]=4 1086 B13R1.551 COC(=O)c1occc1CC(=O)C 1458a_100000070787_100000734845 [0,1,0,0,1,0|2,0,0]=4 1087 B15R1.1086 CC(=O)Oc1ccccc1C(=C(C)C)C 271570a_200000049429_100000051690 [0,1,0,0,0,1|2,0,0]=4 1088 B15R1.3845 C=CC(=O)Nc1ccccc1NC(=O)C 1626a_100011193560_100000185746 [0,1,0,0,0,1|2,0,0]=4 1089 B15R1.3845 C=CC(=O)Nc1ccccc1NC(=O)C 22a_100011193560_100000185746 [0,1,0,0,0,1|2,0,0]=4 1090 B15R1.3845 CC(=O)Nc1ccccc1NC(=O)CO 22a_100011193560_100000210174 [0,1,0,0,0,1|1,0,0]=3 1091 B15R1.3845 CC(=O)Oc1ccccc1SC(C)CO 62a_100012180447_100000051690 [0,1,0,0,0,1|1,0,1]=4 1092 B15R1.3845 CC(=O)Oc1ccccc1S[C@H](C)CO 62a_100000051690_100016084084 [0,1,0,0,0,1|1,0,1]=4 1093 B15R1.3845 CC(=O)Oc1ccccc1S[C@H](C)CO 62a_100016084084_100000051690 [0,1,0,0,0,1|1,0,1]=4 1094 B15R1.3845 CC(C)Oc1ccccc1NC(=O)CO 22a_100000739276_100000210174 [0,1,0,0,0,1|1,0,1]=4 1095 B15R1.3845 CC(C)Oc1ccccc1NC(=O)CO 527a_100000739276_100000210174 [0,1,0,0,0,1|1,0,1]=4 1096 B15R1.3845 CCC(=O)Nc1ccccc1NC(=O)C 11a_100011193560_100000210414 [0,1,0,0,0,1|2,0,0]=4 1097 B15R1.3845 CCC(=O)Nc1ccccc1NC(=O)C 1626a_100011193560_100000210414 [0,1,0,0,0,1|2,0,0]=4 1098 B15R1.3845 CCC(=O)Nc1ccccc1NC(=O)C 22a_100011193560_100000210414 [0,1,0,0,0,1|2,0,0]=4 1099 B15R1.3845 CNC(=O)Cc1ccccc1NC(=O)C 11a_100000738506_100015343762 [0,1,0,0,0,1|2,0,0]=4 1100 B15R1.3845 CNC(=O)Cc1ccccc1NC(=O)C 1626a_100000738506_100015343762 [0,1,0,0,0,1|2,0,0]=4 1101 B15R1.3845 CNC(=O)Cc1ccccc1NC(=O)C 22a_100000738506_100000070787 [0,1,0,0,0,1|2,0,0]=4 1102 B15R1.3845 CNC(=O)Cc1ccccc1NC(=O)C 527a_100000738506_100103153847 [0,1,0,0,0,1|2,0,0]=4 1103 B15R1.3845 CNC(=O)Nc1ccccc1NC(=O)C 2430a_100011193560_100102657272 [0,1,0,0,0,1|2,0,0]=4 1104 B15R1.3845 COC(=O)Cc1ccccc1C=C(C)C 271570a_100102525489_100000699816 [0,1,0,0,0,1|2,0,0]=4 1105 B15R1.3845 COC(=O)Cc1ccccc1CC(=O)C 1458a_100000070787_100000094086 [0,1,0,0,0,1|1,0,0]=3 1106 B15R1.3845 COC(=O)Cc1ccccc1NC(=O)C 188690a_100000766173_100015343762 [0,1,0,0,0,1|1,0,0]=3 1107 B15R1.3845 COC(=O)Cc1ccccc1OC(C)C 7a_100000758901_100000210206 [0,1,0,0,0,1|1,0,1]=4 1108 B15R1.3845 COC(=O)Nc1ccccc1C=C(C)C 271570a_100102525489_100000216184 [0,1,0,0,0,1|2,0,0]=4 1109 B15R1.3845 COC(C)Sc1ccccc1OC(=O)C 62a_100000051690_100009879195 [0,1,0,0,0,1|1,0,1]=4 1110 B15R1.3845 COC(C)Sc1ccccc1OC(=O)C 62a_100009879195_100000051690 [0,1,0,0,0,1|1,0,1]=4 1111 B15R1.5836 CC(=O)Nc1ccc(cc1NC(=O)C)Br 11a_100000749274_100015343762 [0,1,0,0,0,1|2,0,0]=4 1112 B15R1.5836 CC(=O)Nc1ccc(cc1NC(=O)C)Br 22a_100000749274_100000070787 [0,1,0,0,0,1|2,0,0]=4 1113 B15R1.5836 CC(=O)Nc1ccc(cc1NC(=O)C)C 11a_100000750913_100015343762 [0,1,0,0,0,1|2,0,0]=4 1114 B15R1.5836 CC(=O)Nc1ccc(cc1NC(=O)C)C 1626a_100000750913_100015343762 [0,1,0,0,0,1|2,0,0]=4 1115 B15R1.5836 CC(=O)Nc1ccc(cc1NC(=O)C)C 22a_100000750913_100000070787 [0,1,0,0,0,1|2,0,0]=4 1116 B15R1.5836 CC(=O)Nc1ccc(cc1NC(=O)C)Cl 11a_100000747302_100015343762 [0,1,0,0,0,1|2,0,0]=4 1117 B15R1.5836 CC(=O)Nc1ccc(cc1NC(=O)C)Cl 11a_100000749253_100015343762 [0,1,0,0,0,1|2,0,0]=4 1118 B15R1.5836 CC(=O)Nc1ccc(cc1NC(=O)C)Cl 1626a_100000747302_100015343762 [0,1,0,0,0,1|2,0,0]=4 1119 B15R1.5836 CC(=O)Nc1ccc(cc1NC(=O)C)Cl 1626a_100000749253_100015343762 [0,1,0,0,0,1|2,0,0]=4 1120 B15R1.5836 CC(=O)Nc1ccc(cc1NC(=O)C)Cl 22a_100000747302_100000070787 [0,1,0,0,0,1|2,0,0]=4 1121 B15R1.5836 CC(=O)Nc1ccc(cc1NC(=O)C)Cl 22a_100000749253_100000070787 [0,1,0,0,0,1|2,0,0]=4 1122 B15R1.5836 CC(=O)Oc1cc(ccc1C=C(C)C)F 271570a_100102525489_200015685721 [0,1,0,0,0,1|2,0,0]=4 1123 B15R1.985 C=C(C)COc1ccccc1C(=NO)C 34a_100000164216_100000748629 [0,1,0,0,0,1|2,0,0]=4 1124 B15R1.985 C=C(C)COc1ccccc1C(=O)CBr 7a_100000188908_100000748629 [0,1,0,0,0,1|2,0,0]=4 1125 B15R1.985 C=C(C)COc1ccccc1C(=O)CC 1458a_100000217157_100000210202 [0,1,0,0,0,1|2,0,0]=4 1126 B15R1.985 C=C(C)COc1ccccc1C(=O)CC 7a_100000184720_100000748629 [0,1,0,0,0,1|2,0,0]=4 1127 B15R1.985 C=C(C)COc1ccccc1C(=O)CF 1458a_100000217157_100015361967 [0,1,0,0,0,1|2,0,0]=4 1128 B15R1.985 C=C(C)COc1ccccc1C(=O)NC 11a_106832991635_100000217157 [0,1,0,0,0,1|2,0,0]=4 1129 B15R1.985 C=C(C)COc1ccccc1C(=O)NC 1626a_100102657272_100000217157 [0,1,0,0,0,1|2,0,0]=4 1130 B15R1.985 C=C(C)COc1ccccc1C(=O)NC 240690a_100102657272_100000217157 [0,1,0,0,0,1|2,0,0]=4 1131 B15R1.985 C=C(C)COc1ccccc1C(=O)NC 34a_100000185920_100000748629 [0,1,0,0,0,1|2,0,0]=4 1132 B15R1.985 C=C(C)COc1ccccc1C(=O)NC 527a_100102657272_100000217157 [0,1,0,0,0,1|2,0,0]=4 1133 B15R1.985 C=C(C)COc1ccccc1C(=O)NC 7a_100000185920_100000748629 [0,1,0,0,0,1|2,0,0]=4 1134 B15R1.985 C=C(C)COc1ccccc1C(=O)NN 34a_100000186518_100000748629 [0,1,0,0,0,1|2,0,0]=4 1135 B15R1.985 C=C(C)COc1ccccc1C(=O)NO 34a_100000188472_100000748629 [0,1,0,0,0,1|1,0,0]=3 1136 B15R1.985 C=C(C)COc1ccccc1C(=O)OC 7a_100000150335_100000748629 [0,1,0,0,0,1|1,0,0]=3 1137 B15R1.985 C=C(C)COc1cccnc1C(=O)OC 34a_100000744052_100000748629 [0,1,0,0,0,1|2,0,0]=4 1138 B15R1.985 C=C(C)COc1cccnc1C(=O)OC 7a_100000744052_100000748629 [0,1,0,0,0,1|2,0,0]=4 1139 B15R1.985 C=C(C)CSc1ccccc1C(=O)OC 62a_100000148710_100000211660 [0,1,0,0,0,1|1,1,0]=4 1140 B15R1.985 C=C(C)CSc1ccccc1C(=O)OC 62a_100000748629_100000148710 [0,1,0,0,0,1|1,1,0]=4 1141 B15R1.985 C=C(C)CSc1ccccc1C(=O)O[Na] 62a_100000748629_114855342371 [0,1,0,0,0,1|1,1,0]=4 1142 B15R1.985 C=C(F)COc1ccccc1C(=O)NO 34a_100000188472_100009893438 [0,1,0,0,0,1|1,0,1]=4 1143 B15R1.985 C=C(F)COc1ccccc1C(=O)OC 7a_100000150335_100000042424 [0,1,0,0,0,1|1,0,1]=4 1144 B15R1.985 CC(=NO)c1ccccc1OCC(=O)N 34a_100000164216_100000187820 [0,1,0,0,0,1|2,0,0]=4 1145 B15R1.985 CC(=NO)c1ccccc1OCC(=O)[O-] 34a_100000164216_100020667443 [0,1,0,0,0,1|2,0,0]=4 1146 B15R1.985 CC(C)COc1ccccc1C(=O)NO 34a_100000188472_100000210624 [0,1,0,0,0,1|1,0,1]=4 1147 B15R1.985 CC(O)COc1ccccc1C(=O)NO 34a_100000188472_100011218427 [0,1,0,0,0,1|0,0,2]=4 1148 B15R1.985 CCC(=O)c1ccccc1OCC(=O)N 7a_100000184720_100000187820 [0,1,0,0,0,1|2,0,0]=4 1149 B15R1.985 CNC(=O)c1ccccc1OCC(=O)N 34a_100000185920_100000187820 [0,1,0,0,0,1|2,0,0]=4 1150 B15R1.985 CNC(=O)c1ccccc1OCC(=O)N 7a_100000185920_100000187820 [0,1,0,0,0,1|2,0,0]=4 1151 B15R1.985 CNC(=O)c1ccccc1OCC(=O)[O-] 34a_100000185920_100020667443 [0,1,0,0,0,1|2,0,0]=4 1152 B15R1.985 COC(=O)c1ccccc1CCC(=O)C 1458a_100000070787_200010284099 [0,1,0,0,0,1|1,0,0]=3 1153 B15R1.985 COC(=O)c1ccccc1CCC(=O)C 1458a_100000694103_200000210301 [0,1,0,0,0,1|1,0,0]=3 1154 B15R1.985 COC(=O)c1ccccc1CCC(=O)[13CH3] 1458a_100000694103_200025704644 [0,1,0,0,0,1|1,0,0]=3 1155 B15R1.985 COC(=O)c1ccccc1CNC(=O)C 188690a_100000726750_100015343762 [0,1,0,0,0,1|1,0,0]=3 1156 B15R1.985 COC(=O)c1ccccc1COC(C)C 34a_100000212225_100000744672 [0,1,0,0,0,1|1,0,1]=4 1157 B15R1.985 COC(=O)c1ccccc1OCC(=O)N 7a_100000150335_100000187820 [0,1,0,0,0,1|1,0,0]=3 1158 B15R1.985 COC(=O)c1ccccc1OCC(C)C 7a_100000150335_100000210760 [0,1,0,0,0,1|1,0,1]=4 1159 B15R1.985 COC(=O)c1ccccc1OCC(C)O 7a_100000150335_100011218427 [0,1,0,0,0,1|0,0,2]=4 1160 B15R1.985 COC(=O)c1ccccc1OC[C@@H](C)O 7a_100000150335_100009817552 [0,1,0,0,0,1|0,0,2]=4 1161 B15R1.985 COC(=O)c1ccccc1SCC(=O)N 62a_100000148710_100000747473 [0,1,0,0,0,1|1,1,0]=4 1162 B15R1.985 COC(=O)c1ccccc1SCC(=O)N 62a_100000747473_100000148710 [0,1,0,0,0,1|1,1,0]=4 1163 B15R1.985 COC(=O)c1ccccc1SCC(=O)[O-] 62a_100000148710_100020667443 [0,1,0,0,0,1|1,1,0]=4 1164 B15R1.985 COC(=O)c1ccccc1SCC(=O)[O-] 62a_100020667443_100000148710 [0,1,0,0,0,1|1,1,0]=4 1165 B15R1.985 COC(=O)c1cccnc1CNC(=O)C 188690a_100016994483_100015343762 [0,1,0,0,0,1|2,0,0]=4 1166 B15R1.985 COC(=O)c1ncccc1OCC(=O)N 34a_100000744052_100000187820 [0,1,0,0,0,1|2,0,0]=4 1167 B15R1.985 COC(=O)c1ncccc1OCC(=O)N 7a_100000744052_100000187820 [0,1,0,0,0,1|2,0,0]=4 1168 B15R1.985 COC(=O)c1ncccc1OCC(=O)[O-] 34a_100000744052_100020667443 [0,1,0,0,0,1|2,0,0]=4 1169 B15R1.985 C[C@@H](O)COc1ccccc1C(=O)NO 34a_100000188472_100009817552 [0,1,0,0,0,1|0,0,2]=4 1170 B15R1.985 NC(=O)COc1ccccc1C(=O)CBr 7a_100000188908_100000187820 [0,1,0,0,0,1|2,0,0]=4 1171 B15R1.985 NC(=O)COc1ccccc1C(=O)NO 34a_100000188472_100000187820 [0,1,0,0,0,1|1,0,0]=3 1172 B15R1.985 NC(=O)CSc1ccccc1C(=O)O[Na] 62a_100000747473_114855342371 [0,1,0,0,0,1|1,1,0]=4 1173 B15R1.985 NNC(=O)c1ccccc1OCC(=O)N 34a_100000186518_100000187820 [0,1,0,0,0,1|2,0,0]=4 1174 B15R1.985 NNC(=O)c1ccccc1OCC(=O)[O-] 34a_100000186518_100020667443 [0,1,0,0,0,1|2,0,0]=4 1175 B15R1.985 O=C(NO)c1ccccc1OC[N+](=O)[O-] 34a_100000188472_100000761209 [0,1,0,0,0,1|2,0,0]=4 1176 B15R1.985 O=C([O-])COc1ccccc1C(=O)NO 34a_100000188472_100020667443 [0,1,0,0,0,1|1,0,0]=3 1177 B15R1.985 O=C([O-])CSc1ccccc1C(=O)O[Na] 62a_100020667443_114855342371 [0,1,0,0,0,1|1,1,0]=4 1178 B15R1.1108 C=C(C)c1ccccc1OCC(=O)NC 271570a_100000694244_200000148481 [0,1,0,0,0,1|2,0,0]=4 1179 B15R1.1108 C=C(C)c1ccccc1OCC(=O)OC 271570a_100000694244_200000173920 [0,1,0,0,0,1|2,0,0]=4 1180 B15R1.1108 CCC(=O)COc1ccccc1C(=O)N 1458a_100000182327_100000210202 [0,1,0,0,0,1|1,0,0]=3 1181 B15R1.1108 CCC(=O)COc1ccccc1C(=O)N 7a_100000192804_100000747405 [0,1,0,0,0,1|1,0,0]=3 1182 B15R1.1108 CCC(=O)COc1ccccc1C(=O)[O-] 7a_100015234032_100000747405 [0,1,0,0,0,1|0,0,1]=3 1183 B15R1.1108 CCC(=O)COc1ccccc1C(=S)N 7a_100000745089_100000747405 [0,1,0,0,0,1|1,1,0]=4 1184 B15R1.1108 CCC(=O)COc1ccccc1C(C)O 7a_200011232679_100000747405 [0,1,0,0,0,1|1,0,1]=4 1185 B15R1.1108 CCC(=O)COc1ccccc1[N+](=O)[O-] 1458a_100000182526_100000210202 [0,1,0,0,0,1|1,0,1]=4 1186 B15R1.1108 CCC(=O)COc1ccccc1[N+](=O)[O-] 7a_100000186319_100000747405 [0,1,0,0,0,1|1,0,1]=4 1187 B15R1.1108 CCC(=O)COc1cccnc1C(=O)C 7a_100000087166_100000747405 [0,1,0,0,0,1|2,0,0]=4 1188 B15R1.1108 CCC(=O)COc1cccnc1C(=O)N 7a_200011215183_100000747405 [0,1,0,0,0,1|2,0,0]=4 1189 B15R1.1108 CCC(=O)COc1cnccc1C(=O)C 7a_100009872882_100000747405 [0,1,0,0,0,1|2,0,0]=4 1190 B15R1.1108 CCC(=O)COc1cnccc1C(=O)N 7a_100012022987_100000747405 [0,1,0,0,0,1|2,0,0]=4 1191 B15R1.1108 CCC(=O)CSc1ccccc1C(=O)C 62a_100000751169_100000747405 [0,1,0,0,0,1|1,1,0]=4 1192 B15R1.1108 CCC(=O)CSc1ccccc1C(=O)N 62a_100000162227_100000747405 [0,1,0,0,0,1|1,1,0]=4 1193 B15R1.1108 CCC(=O)CSc1ccccc1C(=O)N 62a_100000747405_100000162227 [0,1,0,0,0,1|1,1,0]=4 1194 B15R1.1108 CCC(=O)CSc1ccccc1C(=O)O 62a_100000747405_100000734275 [0,1,0,0,0,1|0,1,0]=3 1195 B15R1.1108 CCC(=O)CSc1ccccc1C(=O)O 62a_202125556159_100000747405 [0,1,0,0,0,1|0,1,0]=3 1196 B15R1.1108 CNC(=O)CNc1ccccc1C(=O)N 34a_100000185089_100000183359 [0,1,0,0,0,1|2,0,0]=4 1197 B15R1.1108 CNC(=O)COc1ccccc1C(=O)N 240690a_100102657272_100000182327 [0,1,0,0,0,1|1,0,0]=3 1198 B15R1.1108 CNC(=O)COc1ccccc1C(=O)N 34a_100000192804_100000183359 [0,1,0,0,0,1|1,0,0]=3 1199 B15R1.1108 CNC(=O)COc1ccccc1C(=O)N 7a_100000192804_100000183359 [0,1,0,0,0,1|1,0,0]=3 1200 B15R1.1108 CNC(=O)COc1ccccc1C(=O)[O-] 7a_100015234032_100000183359 [0,1,0,0,0,1|0,0,1]=3 1201 B15R1.1108 CNC(=O)COc1ccccc1C(=S)N 7a_100000745089_100000183359 [0,1,0,0,0,1|1,1,0]=4 1202 B15R1.1108 CNC(=O)COc1ccccc1C(C)O 34a_200011232679_100000183359 [0,1,0,0,0,1|1,0,1]=4 1203 B15R1.1108 CNC(=O)COc1ccccc1C(C)O 7a_200011232679_100000183359 [0,1,0,0,0,1|1,0,1]=4 1204 B15R1.1108 CNC(=O)COc1ccccc1[N+](=O)[O-] 11a_106832991635_100000182526 [0,1,0,0,0,1|1,0,1]=4 1205 B15R1.1108 CNC(=O)COc1ccccc1[N+](=O)[O-] 1626a_100102657272_100000182526 [0,1,0,0,0,1|1,0,1]=4 1206 B15R1.1108 CNC(=O)COc1ccccc1[N+](=O)[O-] 240690a_100102657272_100000182526 [0,1,0,0,0,1|1,0,1]=4 1207 B15R1.1108 CNC(=O)COc1ccccc1[N+](=O)[O-] 34a_100000186319_100000183359 [0,1,0,0,0,1|1,0,1]=4 1208 B15R1.1108 CNC(=O)COc1ccccc1[N+](=O)[O-] 527a_100102657272_100000182526 [0,1,0,0,0,1|1,0,1]=4 1209 B15R1.1108 CNC(=O)COc1ccccc1[N+](=O)[O-] 7a_100000186319_100000183359 [0,1,0,0,0,1|1,0,1]=4 1210 B15R1.1108 CNC(=O)COc1cccnc1C(=O)C 34a_100000087166_100000183359 [0,1,0,0,0,1|2,0,0]=4 1211 B15R1.1108 CNC(=O)COc1cccnc1C(=O)C 7a_100000087166_100000183359 [0,1,0,0,0,1|2,0,0]=4 1212 B15R1.1108 CNC(=O)COc1cccnc1C(=O)N 34a_200011215183_100000183359 [0,1,0,0,0,1|2,0,0]=4 1213 B15R1.1108 CNC(=O)COc1cccnc1C(=O)N 7a_200011215183_100000183359 [0,1,0,0,0,1|2,0,0]=4 1214 B15R1.1108 CNC(=O)COc1ccncc1C(=O)N 34a_200011998761_100000183359 [0,1,0,0,0,1|2,0,0]=4 1215 B15R1.1108 CNC(=O)COc1cnccc1C(=O)C 7a_100009872882_100000183359 [0,1,0,0,0,1|2,0,0]=4 1216 B15R1.1108 CNC(=O)COc1cnccc1C(=O)N 7a_100012022987_100000183359 [0,1,0,0,0,1|2,0,0]=4 1217 B15R1.1108 CNC(=O)CSc1ccccc1C(=O)C 62a_100000751169_100000183359 [0,1,0,0,0,1|1,1,0]=4 1218 B15R1.1108 CNC(=O)CSc1ccccc1C(=O)N 62a_100000162227_100000183359 [0,1,0,0,0,1|1,1,0]=4 1219 B15R1.1108 CNC(=O)CSc1ccccc1C(=O)N 62a_100000183359_100000162227 [0,1,0,0,0,1|1,1,0]=4 1220 B15R1.1108 CNC(=O)CSc1ccccc1C(=O)O 62a_100000183359_100000734275 [0,1,0,0,0,1|0,1,0]=3 1221 B15R1.1108 CNC(=O)CSc1ccccc1C(=O)O 62a_202125556159_100000183359 [0,1,0,0,0,1|0,1,0]=3 1222 B15R1.1108 COC(=O)CNc1ccccc1C(=O)N 34a_100000185089_100000747449 [0,1,0,0,0,1|2,0,0]=4 1223 B15R1.1108 COC(=O)COc1ccccc1C(=O)N 34a_100000192804_100000747449 [0,1,0,0,0,1|1,0,0]=3 1224 B15R1.1108 COC(=O)COc1ccccc1C(=O)N 7a_100000192804_100000747449 [0,1,0,0,0,1|1,0,0]=3 1225 B15R1.1108 COC(=O)COc1ccccc1C(=O)[O-] 7a_100015234032_100000747449 [0,1,0,0,0,1|0,0,1]=3 1226 B15R1.1108 COC(=O)COc1ccccc1C(=S)N 7a_100000745089_100000747449 [0,1,0,0,0,1|1,1,0]=4 1227 B15R1.1108 COC(=O)COc1ccccc1C(C)O 34a_200011232679_100000747449 [0,1,0,0,0,1|1,0,1]=4 1228 B15R1.1108 COC(=O)COc1ccccc1C(C)O 7a_200011232679_100000747449 [0,1,0,0,0,1|1,0,1]=4 1229 B15R1.1108 COC(=O)COc1ccccc1[N+](=O)[O-] 34a_100000186319_100000747449 [0,1,0,0,0,1|1,0,1]=4 1230 B15R1.1108 COC(=O)COc1ccccc1[N+](=O)[O-] 7a_100000186319_100000747449 [0,1,0,0,0,1|1,0,1]=4 1231 B15R1.1108 COC(=O)COc1cccnc1C(=O)C 34a_100000087166_100000747449 [0,1,0,0,0,1|2,0,0]=4 1232 B15R1.1108 COC(=O)COc1cccnc1C(=O)C 7a_100000087166_100000747449 [0,1,0,0,0,1|2,0,0]=4 1233 B15R1.1108 COC(=O)COc1cccnc1C(=O)N 34a_200011215183_100000747449 [0,1,0,0,0,1|2,0,0]=4 1234 B15R1.1108 COC(=O)COc1cccnc1C(=O)N 7a_200011215183_100000747449 [0,1,0,0,0,1|2,0,0]=4 1235 B15R1.1108 COC(=O)COc1ccncc1C(=O)N 34a_200011998761_100000747449 [0,1,0,0,0,1|2,0,0]=4 1236 B15R1.1108 COC(=O)COc1cnccc1C(=O)C 7a_100009872882_100000747449 [0,1,0,0,0,1|2,0,0]=4 1237 B15R1.1108 COC(=O)COc1cnccc1C(=O)N 7a_100012022987_100000747449 [0,1,0,0,0,1|2,0,0]=4 1238 B15R1.1108 COC(=O)CSc1ccccc1C(=O)C 62a_100000751169_100000747449 [0,1,0,0,0,1|1,1,0]=4 1239 B15R1.1108 COC(=O)CSc1ccccc1C(=O)N 62a_100000162227_100000747449 [0,1,0,0,0,1|1,1,0]=4 1240 B15R1.1108 COC(=O)CSc1ccccc1C(=O)N 62a_100000747449_100000162227 [0,1,0,0,0,1|1,1,0]=4 1241 B15R1.1108 COC(=O)CSc1ccccc1C(=O)O 62a_100000747449_100000734275 [0,1,0,0,0,1|0,1,0]=3 1242 B15R1.1108 COC(=O)CSc1ccccc1C(=O)O 62a_202125556159_100000747449 [0,1,0,0,0,1|0,1,0]=3 1243 B15R1.1108 NC(=O)c1ccccc1OCC(=O)CF 1458a_100000182327_100015361967 [0,1,0,0,0,1|1,0,0]=3 1244 B15R1.1108 O=C(CF)COc1ccccc1[N+](=O)[O-] 1458a_100000182526_100015361967 [0,1,0,0,0,1|1,0,1]=4 1245 B15R1.6620 C=C(C)COc1c(cccc1C(=O)C)C 34a_100009847209_100000748629 [0,1,0,0,0,1|2,0,0]=4 1246 B15R1.6620 C=C(C)COc1c(cccc1C(=O)C)C 7a_100009847209_100000748629 [0,1,0,0,0,1|2,0,0]=4 1247 B15R1.6620 C=C(C)COc1c(cccc1C(=O)C)Cl 34a_100000043392_100000748629 [0,1,0,0,0,1|2,0,0]=4 1248 B15R1.6620 C=C(C)COc1c(cccc1C(=O)C)Cl 7a_100000043392_100000748629 [0,1,0,0,0,1|2,0,0]=4 1249 B15R1.6620 C=C(C)COc1c(cccc1C(=O)C)F 34a_100011246037_100000748629 [0,1,0,0,0,1|2,0,0]=4 1250 B15R1.6620 C=C(C)COc1c(cccc1C(=O)C)F 7a_100011246037_100000748629 [0,1,0,0,0,1|2,0,0]=4 1251 B15R1.6620 C=C(C)COc1c(cccc1C(=O)N)Cl 34a_100009868166_100000748629 [0,1,0,0,0,1|2,0,0]=4 1252 B15R1.6620 C=C(C)COc1c(cccc1C(=O)N)Cl 7a_100009868166_100000748629 [0,1,0,0,0,1|2,0,0]=4 1253 B15R1.6620 C=C(C)COc1c(cccc1C(=O)N)F 34a_100009886295_100000748629 [0,1,0,0,0,1|2,0,0]=4 1254 B15R1.6620 C=C(C)COc1c(cccc1C(=O)N)F 7a_100009886295_100000748629 [0,1,0,0,0,1|2,0,0]=4 1255 B15R1.6620 CC(=O)c1cccc(c1OCC(=O)N)C 34a_100009847209_100000187820 [0,1,0,0,0,1|2,0,0]=4 1256 B15R1.6620 CC(=O)c1cccc(c1OCC(=O)N)C 7a_100009847209_100000187820 [0,1,0,0,0,1|2,0,0]=4 1257 B15R1.6620 CC(=O)c1cccc(c1OCC(=O)N)Cl 34a_100000043392_100000187820 [0,1,0,0,0,1|2,0,0]=4 1258 B15R1.6620 CC(=O)c1cccc(c1OCC(=O)N)Cl 7a_100000043392_100000187820 [0,1,0,0,0,1|2,0,0]=4 1259 B15R1.6620 CC(=O)c1cccc(c1OCC(=O)N)F 34a_100011246037_100000187820 [0,1,0,0,0,1|2,0,0]=4 1260 B15R1.6620 CC(=O)c1cccc(c1OCC(=O)N)F 7a_100011246037_100000187820 [0,1,0,0,0,1|2,0,0]=4 1261 B15R1.6620 CC(=O)c1cccc(c1OCC(=O)[O-])C 34a_100009847209_100020667443 [0,1,0,0,0,1|2,0,0]=4 1262 B15R1.6620 CC(=O)c1cccc(c1OCC(=O)[O-])Cl 34a_100000043392_100020667443 [0,1,0,0,0,1|2,0,0]=4 1263 B15R1.6620 CC(=O)c1cccc(c1OCC(=O)[O-])F 34a_100011246037_100020667443 [0,1,0,0,0,1|2,0,0]=4 1264 B15R1.6620 NC(=O)COc1c(cccc1C(=O)N)Cl 34a_100009868166_100000187820 [0,1,0,0,0,1|2,0,0]=4 1265 B15R1.6620 NC(=O)COc1c(cccc1C(=O)N)Cl 7a_100009868166_100000187820 [0,1,0,0,0,1|2,0,0]=4 1266 B15R1.6620 NC(=O)COc1c(cccc1C(=O)N)F 34a_100009886295_100000187820 [0,1,0,0,0,1|2,0,0]=4 1267 B15R1.6620 NC(=O)COc1c(cccc1C(=O)N)F 7a_100009886295_100000187820 [0,1,0,0,0,1|2,0,0]=4 1268 B15R1.6620 NC(=O)c1cccc(c1OCC(=O)[O-])Cl 34a_100009868166_100020667443 [0,1,0,0,0,1|2,0,0]=4 1269 B15R1.6620 NC(=O)c1cccc(c1OCC(=O)[O-])F 34a_100009886295_100020667443 [0,1,0,0,0,1|2,0,0]=4 1270 B15R1.8265 C=C(C)COc1cccc(c1C(=O)C)Br 34a_100010174959_100000748629 [0,1,0,0,0,1|2,0,0]=4 1271 B15R1.8265 C=C(C)COc1cccc(c1C(=O)C)Br 7a_100010174959_100000748629 [0,1,0,0,0,1|2,0,0]=4 1272 B15R1.8265 C=C(C)COc1cccc(c1C(=O)C)C 34a_100009860897_100000748629 [0,1,0,0,0,1|2,0,0]=4 1273 B15R1.8265 C=C(C)COc1cccc(c1C(=O)C)C 7a_100009860897_100000748629 [0,1,0,0,0,1|2,0,0]=4 1274 B15R1.8265 C=C(C)COc1cccc(c1C(=O)C)Cl 34a_100000730630_100000748629 [0,1,0,0,0,1|2,0,0]=4 1275 B15R1.8265 C=C(C)COc1cccc(c1C(=O)C)Cl 7a_100000730630_100000748629 [0,1,0,0,0,1|2,0,0]=4 1276 B15R1.8265 C=C(C)COc1cccc(c1C(=O)C)F 34a_100011216272_100000748629 [0,1,0,0,0,1|2,0,0]=4 1277 B15R1.8265 C=C(C)COc1cccc(c1C(=O)C)F 7a_100011216272_100000748629 [0,1,0,0,0,1|2,0,0]=4 1278 B15R1.8265 C=C(C)COc1cccc(c1C(=O)N)F 34a_100000701607_100000748629 [0,1,0,0,0,1|2,0,0]=4 1279 B15R1.8265 C=C(C)COc1cccc(c1C(=O)N)F 7a_100000701607_100000748629 [0,1,0,0,0,1|2,0,0]=4 1280 B15R1.8265 CC(=O)c1c(cccc1OCC(=O)N)Br 34a_100010174959_100000187820 [0,1,0,0,0,1|2,0,0]=4 1281 B15R1.8265 CC(=O)c1c(cccc1OCC(=O)N)Br 7a_100010174959_100000187820 [0,1,0,0,0,1|2,0,0]=4 1282 B15R1.8265 CC(=O)c1c(cccc1OCC(=O)N)C 34a_100009860897_100000187820 [0,1,0,0,0,1|2,0,0]=4 1283 B15R1.8265 CC(=O)c1c(cccc1OCC(=O)N)C 7a_100009860897_100000187820 [0,1,0,0,0,1|2,0,0]=4 1284 B15R1.8265 CC(=O)c1c(cccc1OCC(=O)N)Cl 34a_100000730630_100000187820 [0,1,0,0,0,1|2,0,0]=4 1285 B15R1.8265 CC(=O)c1c(cccc1OCC(=O)N)Cl 7a_100000730630_100000187820 [0,1,0,0,0,1|2,0,0]=4 1286 B15R1.8265 CC(=O)c1c(cccc1OCC(=O)N)F 34a_100011216272_100000187820 [0,1,0,0,0,1|2,0,0]=4 1287 B15R1.8265 CC(=O)c1c(cccc1OCC(=O)N)F 7a_100011216272_100000187820 [0,1,0,0,0,1|2,0,0]=4 1288 B15R1.8265 CC(=O)c1c(cccc1OCC(=O)[O-])Br 34a_100010174959_100020667443 [0,1,0,0,0,1|2,0,0]=4 1289 B15R1.8265 CC(=O)c1c(cccc1OCC(=O)[O-])C 34a_100009860897_100020667443 [0,1,0,0,0,1|2,0,0]=4 1290 B15R1.8265 CC(=O)c1c(cccc1OCC(=O)[O-])Cl 34a_100000730630_100020667443 [0,1,0,0,0,1|2,0,0]=4 1291 B15R1.8265 CC(=O)c1c(cccc1OCC(=O)[O-])F 34a_100011216272_100020667443 [0,1,0,0,0,1|2,0,0]=4 1292 B15R1.8265 NC(=O)COc1cccc(c1C(=O)N)F 34a_100000701607_100000187820 [0,1,0,0,0,1|2,0,0]=4 1293 B15R1.8265 NC(=O)COc1cccc(c1C(=O)N)F 7a_100000701607_100000187820 [0,1,0,0,0,1|2,0,0]=4 1294 B15R1.8265 NC(=O)c1c(cccc1OCC(=O)[O-])F 34a_100000701607_100020667443 [0,1,0,0,0,1|2,0,0]=4 1295 B15R1.8415 C=C(C)COc1ccc(cc1C(=O)C)Br 34a_100000212127_100000748629 [0,1,0,0,0,1|2,0,0]=4 1296 B15R1.8415 C=C(C)COc1ccc(cc1C(=O)C)Br 7a_100000212127_100000748629 [0,1,0,0,0,1|2,0,0]=4 1297 B15R1.8415 C=C(C)COc1ccc(cc1C(=O)C)C 34a_100000195442_100000748629 [0,1,0,0,0,1|2,0,0]=4 1298 B15R1.8415 C=C(C)COc1ccc(cc1C(=O)C)C 7a_100000195442_100000748629 [0,1,0,0,0,1|2,0,0]=4 1299 B15R1.8415 C=C(C)COc1ccc(cc1C(=O)C)Cl 34a_100000185566_100000748629 [0,1,0,0,0,1|2,0,0]=4 1300 B15R1.8415 C=C(C)COc1ccc(cc1C(=O)C)Cl 7a_100000185566_100000748629 [0,1,0,0,0,1|2,0,0]=4 1301 B15R1.8415 C=C(C)COc1ccc(cc1C(=O)C)F 7a_100000182812_100000748629 [0,1,0,0,0,1|2,0,0]=4 1302 B15R1.8415 C=C(C)COc1ccc(cc1C(=O)C)I 7a_100010712555_100000748629 [0,1,0,0,0,1|2,0,0]=4 1303 B15R1.8415 C=C(C)COc1ccc(cc1C(=O)C)N 34a_100011218865_100000748629 [0,1,0,0,0,1|2,0,0]=4 1304 B15R1.8415 C=C(C)COc1ccc(cc1C(=O)N)Br 34a_100000192807_100000748629 [0,1,0,0,0,1|2,0,0]=4 1305 B15R1.8415 C=C(C)COc1ccc(cc1C(=O)N)Br 7a_100000192807_100000748629 [0,1,0,0,0,1|2,0,0]=4 1306 B15R1.8415 C=C(C)COc1ccc(cc1C(=O)N)C 34a_200000192840_100000748629 [0,1,0,0,0,1|2,0,0]=4 1307 B15R1.8415 C=C(C)COc1ccc(cc1C(=O)N)C 7a_200000192840_100000748629 [0,1,0,0,0,1|2,0,0]=4 1308 B15R1.8415 C=C(C)COc1ccc(cc1C(=O)N)Cl 34a_100000185026_100000748629 [0,1,0,0,0,1|2,0,0]=4 1309 B15R1.8415 C=C(C)COc1ccc(cc1C(=O)N)Cl 7a_100000185026_100000748629 [0,1,0,0,0,1|2,0,0]=4 1310 B15R1.8415 C=C(C)COc1ccc(cc1C(=O)N)F 34a_100012186459_100000748629 [0,1,0,0,0,1|2,0,0]=4 1311 B15R1.8415 C=C(C)COc1ccc(cc1C(=O)N)F 7a_100012186459_100000748629 [0,1,0,0,0,1|2,0,0]=4 1312 B15R1.8415 C=C(C)COc1ccc(cc1C(=O)N)I 34a_100000192813_100000748629 [0,1,0,0,0,1|2,0,0]=4 1313 B15R1.8415 C=C(C)COc1ccc(cc1C(=O)N)I 7a_100000192813_100000748629 [0,1,0,0,0,1|2,0,0]=4 1314 B15R1.8415 C=C(C)CSc1ccc(cc1C(=O)O)Br 62a_100011072988_100000211660 [0,1,0,0,0,1|1,1,0]=4 1315 B15R1.8415 CC(=O)COc1ccc(cc1[N+](=O)[O-])Cl 1458a_200011213644_200000210301 [0,1,0,0,0,1|1,0,1]=4 1316 B15R1.8415 CC(=O)COc1ccc(cc1[N+](=O)[O-])F 1458a_200011659226_200000210301 [0,1,0,0,0,1|1,0,1]=4 1317 B15R1.8415 CC(=O)c1cc(ccc1OCC(=O)N)Br 34a_100000212127_100000187820 [0,1,0,0,0,1|2,0,0]=4 1318 B15R1.8415 CC(=O)c1cc(ccc1OCC(=O)N)Br 7a_100000212127_100000187820 [0,1,0,0,0,1|2,0,0]=4 1319 B15R1.8415 CC(=O)c1cc(ccc1OCC(=O)N)C 34a_100000195442_100000187820 [0,1,0,0,0,1|2,0,0]=4 1320 B15R1.8415 CC(=O)c1cc(ccc1OCC(=O)N)C 7a_100000195442_100000187820 [0,1,0,0,0,1|2,0,0]=4 1321 B15R1.8415 CC(=O)c1cc(ccc1OCC(=O)N)Cl 34a_100000185566_100000187820 [0,1,0,0,0,1|2,0,0]=4 1322 B15R1.8415 CC(=O)c1cc(ccc1OCC(=O)N)Cl 7a_100000185566_100000187820 [0,1,0,0,0,1|2,0,0]=4 1323 B15R1.8415 CC(=O)c1cc(ccc1OCC(=O)N)F 7a_100000182812_100000187820 [0,1,0,0,0,1|2,0,0]=4 1324 B15R1.8415 CC(=O)c1cc(ccc1OCC(=O)N)I 7a_100010712555_100000187820 [0,1,0,0,0,1|2,0,0]=4 1325 B15R1.8415 CC(=O)c1cc(ccc1OCC(=O)N)N 34a_100011218865_100000187820 [0,1,0,0,0,1|2,0,0]=4 1326 B15R1.8415 CC(=O)c1cc(ccc1OCC(=O)[O-])Br 34a_100000212127_100020667443 [0,1,0,0,0,1|2,0,0]=4 1327 B15R1.8415 CC(=O)c1cc(ccc1OCC(=O)[O-])C 34a_100000195442_100020667443 [0,1,0,0,0,1|2,0,0]=4 1328 B15R1.8415 CC(=O)c1cc(ccc1OCC(=O)[O-])Cl 34a_100000185566_100020667443 [0,1,0,0,0,1|2,0,0]=4 1329 B15R1.8415 CC(=O)c1cc(ccc1OCC(=O)[O-])N 34a_100011218865_100020667443 [0,1,0,0,0,1|2,0,0]=4 1330 B15R1.8415 Cc1ccc(c(c1)C(=O)N)OCC(=O)N 34a_200000192840_100000187820 [0,1,0,0,0,1|2,0,0]=4 1331 B15R1.8415 Cc1ccc(c(c1)C(=O)N)OCC(=O)N 7a_200000192840_100000187820 [0,1,0,0,0,1|2,0,0]=4 1332 B15R1.8415 Cc1ccc(c(c1)C(=O)N)OCC(=O)[O-] 34a_200000192840_100020667443 [0,1,0,0,0,1|2,0,0]=4 1333 B15R1.8415 NC(=O)COc1ccc(cc1C(=O)N)Br 34a_100000192807_100000187820 [0,1,0,0,0,1|2,0,0]=4 1334 B15R1.8415 NC(=O)COc1ccc(cc1C(=O)N)Br 7a_100000192807_100000187820 [0,1,0,0,0,1|2,0,0]=4 1335 B15R1.8415 NC(=O)COc1ccc(cc1C(=O)N)Cl 34a_100000185026_100000187820 [0,1,0,0,0,1|2,0,0]=4 1336 B15R1.8415 NC(=O)COc1ccc(cc1C(=O)N)Cl 7a_100000185026_100000187820 [0,1,0,0,0,1|2,0,0]=4 1337 B15R1.8415 NC(=O)COc1ccc(cc1C(=O)N)F 34a_100012186459_100000187820 [0,1,0,0,0,1|2,0,0]=4 1338 B15R1.8415 NC(=O)COc1ccc(cc1C(=O)N)F 7a_100012186459_100000187820 [0,1,0,0,0,1|2,0,0]=4 1339 B15R1.8415 NC(=O)COc1ccc(cc1C(=O)N)I 34a_100000192813_100000187820 [0,1,0,0,0,1|2,0,0]=4 1340 B15R1.8415 NC(=O)COc1ccc(cc1C(=O)N)I 7a_100000192813_100000187820 [0,1,0,0,0,1|2,0,0]=4 1341 B15R1.8415 NC(=O)CSc1ccc(cc1C(=O)O)Br 62a_100011072988_100000747473 [0,1,0,0,0,1|1,1,0]=4 1342 B15R1.8415 NC(=O)c1cc(ccc1OCC(=O)[O-])Br 34a_100000192807_100020667443 [0,1,0,0,0,1|2,0,0]=4 1343 B15R1.8415 NC(=O)c1cc(ccc1OCC(=O)[O-])Cl 34a_100000185026_100020667443 [0,1,0,0,0,1|2,0,0]=4 1344 B15R1.8415 NC(=O)c1cc(ccc1OCC(=O)[O-])F 34a_100012186459_100020667443 [0,1,0,0,0,1|2,0,0]=4 1345 B15R1.8415 NC(=O)c1cc(ccc1OCC(=O)[O-])I 34a_100000192813_100020667443 [0,1,0,0,0,1|2,0,0]=4 1346 B15R1.8415 O=C([O-])CSc1ccc(cc1C(=O)O)Br 62a_100011072988_100020667443 [0,1,0,0,0,1|1,1,0]=4 1347 B15R1.8415 [13CH3]C(=O)COc1ccc(cc1[N+](=O)[O-])Cl 1458a_200011213644_200025704644 [0,1,0,0,0,1|1,0,1]=4 1348 B15R1.8415 [13CH3]C(=O)COc1ccc(cc1[N+](=O)[O-])F 1458a_200011659226_200025704644 [0,1,0,0,0,1|1,0,1]=4 1349 B15R1.8435 C=C(C)COc1cc(ccc1C(=O)C)Br 7a_100000188348_100000748629 [0,1,0,0,0,1|2,0,0]=4 1350 B15R1.8435 C=C(C)COc1cc(ccc1C(=O)C)C 34a_100000234885_100000748629 [0,1,0,0,0,1|2,0,0]=4 1351 B15R1.8435 C=C(C)COc1cc(ccc1C(=O)C)C 7a_100000234885_100000748629 [0,1,0,0,0,1|2,0,0]=4 1352 B15R1.8435 C=C(C)COc1cc(ccc1C(=O)C)Cl 34a_100000061402_100000748629 [0,1,0,0,0,1|2,0,0]=4 1353 B15R1.8435 C=C(C)COc1cc(ccc1C(=O)C)Cl 7a_100000061402_100000748629 [0,1,0,0,0,1|2,0,0]=4 1354 B15R1.8435 C=C(C)COc1cc(ccc1C(=O)C)F 7a_100011215782_100000748629 [0,1,0,0,0,1|2,0,0]=4 1355 B15R1.8435 C=C(C)COc1cc(ccc1C(=O)N)Br 34a_100011550861_100000748629 [0,1,0,0,0,1|2,0,0]=4 1356 B15R1.8435 C=C(C)COc1cc(ccc1C(=O)N)Br 7a_100011550861_100000748629 [0,1,0,0,0,1|2,0,0]=4 1357 B15R1.8435 C=C(C)COc1cc(ccc1C(=O)N)C 34a_100000192831_100000748629 [0,1,0,0,0,1|2,0,0]=4 1358 B15R1.8435 C=C(C)COc1cc(ccc1C(=O)N)C 7a_100000192831_100000748629 [0,1,0,0,0,1|2,0,0]=4 1359 B15R1.8435 C=C(C)COc1cc(ccc1C(=O)N)Cl 34a_100000192836_100000748629 [0,1,0,0,0,1|2,0,0]=4 1360 B15R1.8435 C=C(C)COc1cc(ccc1C(=O)N)Cl 7a_100000192836_100000748629 [0,1,0,0,0,1|2,0,0]=4 1361 B15R1.8435 C=C(C)COc1cc(ccc1C(=O)N)N 34a_100000223280_100000748629 [0,1,0,0,0,1|2,0,0]=4 1362 B15R1.8435 C=C(C)COc1cc(ccc1C(=O)N)N 7a_100000223280_100000748629 [0,1,0,0,0,1|2,0,0]=4 1363 B15R1.8435 CC(=O)c1ccc(cc1OCC(=O)N)Br 7a_100000188348_100000187820 [0,1,0,0,0,1|2,0,0]=4 1364 B15R1.8435 CC(=O)c1ccc(cc1OCC(=O)N)C 34a_100000234885_100000187820 [0,1,0,0,0,1|2,0,0]=4 1365 B15R1.8435 CC(=O)c1ccc(cc1OCC(=O)N)C 7a_100000234885_100000187820 [0,1,0,0,0,1|2,0,0]=4 1366 B15R1.8435 CC(=O)c1ccc(cc1OCC(=O)N)Cl 34a_100000061402_100000187820 [0,1,0,0,0,1|2,0,0]=4 1367 B15R1.8435 CC(=O)c1ccc(cc1OCC(=O)N)Cl 7a_100000061402_100000187820 [0,1,0,0,0,1|2,0,0]=4 1368 B15R1.8435 CC(=O)c1ccc(cc1OCC(=O)N)F 7a_100011215782_100000187820 [0,1,0,0,0,1|2,0,0]=4 1369 B15R1.8435 CC(=O)c1ccc(cc1OCC(=O)[O-])C 34a_100000234885_100020667443 [0,1,0,0,0,1|2,0,0]=4 1370 B15R1.8435 CC(=O)c1ccc(cc1OCC(=O)[O-])Cl 34a_100000061402_100020667443 [0,1,0,0,0,1|2,0,0]=4 1371 B15R1.8435 Cc1ccc(c(c1)OCC(=O)N)C(=O)N 34a_100000192831_100000187820 [0,1,0,0,0,1|2,0,0]=4 1372 B15R1.8435 Cc1ccc(c(c1)OCC(=O)N)C(=O)N 7a_100000192831_100000187820 [0,1,0,0,0,1|2,0,0]=4 1373 B15R1.8435 Cc1ccc(c(c1)OCC(=O)[O-])C(=O)N 34a_100000192831_100020667443 [0,1,0,0,0,1|2,0,0]=4 1374 B15R1.8435 NC(=O)COc1cc(ccc1C(=O)N)Br 34a_100011550861_100000187820 [0,1,0,0,0,1|2,0,0]=4 1375 B15R1.8435 NC(=O)COc1cc(ccc1C(=O)N)Br 7a_100011550861_100000187820 [0,1,0,0,0,1|2,0,0]=4 1376 B15R1.8435 NC(=O)COc1cc(ccc1C(=O)N)Cl 34a_100000192836_100000187820 [0,1,0,0,0,1|2,0,0]=4 1377 B15R1.8435 NC(=O)COc1cc(ccc1C(=O)N)Cl 7a_100000192836_100000187820 [0,1,0,0,0,1|2,0,0]=4 1378 B15R1.8435 NC(=O)COc1cc(ccc1C(=O)N)N 34a_100000223280_100000187820 [0,1,0,0,0,1|2,0,0]=4 1379 B15R1.8435 NC(=O)COc1cc(ccc1C(=O)N)N 7a_100000223280_100000187820 [0,1,0,0,0,1|2,0,0]=4 1380 B15R1.8435 NC(=O)c1ccc(cc1OCC(=O)[O-])Br 34a_100011550861_100020667443 [0,1,0,0,0,1|2,0,0]=4 1381 B15R1.8435 NC(=O)c1ccc(cc1OCC(=O)[O-])Cl 34a_100000192836_100020667443 [0,1,0,0,0,1|2,0,0]=4 1382 B15R1.8435 NC(=O)c1ccc(cc1OCC(=O)[O-])N 34a_100000223280_100020667443 [0,1,0,0,0,1|2,0,0]=4 1383 B15R1.8875 CC(=O)C(C)Oc1ccccc1C(=O)N 7a_100000192804_100000179758 [0,1,0,0,0,1|1,0,0]=3 1384 B15R1.8875 CC(=O)C(C)Oc1ccccc1C(=O)[O-] 7a_100015234032_100000179758 [0,1,0,0,0,1|0,0,1]=3 1385 B15R1.8875 CC(=O)C(C)Oc1ccccc1C(=S)N 7a_100000745089_100000179758 [0,1,0,0,0,1|1,1,0]=4 1386 B15R1.8875 CC(=O)C(C)Oc1ccccc1C(C)O 7a_200011232679_100000179758 [0,1,0,0,0,1|1,0,1]=4 1387 B15R1.8875 CC(=O)C(C)Oc1ccccc1[N+](=O)[O-] 7a_100000186319_100000179758 [0,1,0,0,0,1|1,0,1]=4 1388 B15R1.8875 CC(=O)C(C)Oc1cccnc1C(=O)N 7a_200011215183_100000179758 [0,1,0,0,0,1|2,0,0]=4 1389 B15R1.8875 CC(=O)C(C)Oc1cnccc1C(=O)N 7a_100012022987_100000179758 [0,1,0,0,0,1|2,0,0]=4 1390 B15R1.8875 CC(=O)C(C)Sc1ccccc1C(=O)N 62a_100000162227_100009814033 [0,1,0,0,0,1|1,1,0]=4 1391 B15R1.8875 CC(=O)C(C)Sc1ccccc1C(=O)N 62a_100009814033_100000162227 [0,1,0,0,0,1|1,1,0]=4 1392 B15R1.8875 CC(=O)C(C)Sc1ccccc1C(=O)O 62a_100009814033_100000734275 [0,1,0,0,0,1|0,1,0]=3 1393 B15R1.8875 CC(=O)C(C)Sc1ccccc1C(=O)O 62a_202125556159_100009814033 [0,1,0,0,0,1|0,1,0]=3 1394 B15R1.8875 CC(=O)c1ccccc1SC(C)C(=O)C 62a_100000751169_100009814033 [0,1,0,0,0,1|1,1,0]=4 1395 B15R1.8875 CC(=O)c1ccncc1OC(C)C(=O)C 7a_100009872882_100000179758 [0,1,0,0,0,1|2,0,0]=4 1396 B15R1.8875 CC(=O)c1ncccc1OC(C)C(=O)C 7a_100000087166_100000179758 [0,1,0,0,0,1|2,0,0]=4 1397 B15R1.8875 CC(Oc1ccccc1C(=O)N)C(=O)N 34a_100000192804_100000702099 [0,1,0,0,0,1|2,0,0]=4 1398 B15R1.8875 CC(Oc1ccccc1C(=O)N)C(=O)N 7a_100000192804_100000702099 [0,1,0,0,0,1|2,0,0]=4 1399 B15R1.8875 CC(Oc1ccccc1C(=O)[O-])C(=O)N 7a_100015234032_100000702099 [0,1,0,0,0,1|1,0,1]=4 1400 B15R1.8875 CC(Sc1ccccc1C(=O)O)C(=O)N 62a_100000702099_100000734275 [0,1,0,0,0,1|1,1,0]=4 1401 B15R1.8875 CC(Sc1ccccc1C(=O)O)C(=O)N 62a_202125556159_100000702099 [0,1,0,0,0,1|1,1,0]=4 1402 B15R1.8875 NC(=O)C(F)Oc1ccccc1C(=O)[O-] 7a_100015234032_100009813875 [0,1,0,0,0,1|1,0,1]=4 1403 B15R1.8875 NC(=O)C(F)Sc1ccccc1C(=O)O 62a_100009813875_100000734275 [0,1,0,0,0,1|1,1,0]=4 1404 B15R1.8875 NC(=O)C(F)Sc1ccccc1C(=O)O 62a_202125556159_100009813875 [0,1,0,0,0,1|1,1,0]=4 1405 B15R1.8875 NC(=O)c1ccccc1OC(F)C(=O)N 34a_100000192804_100009813875 [0,1,0,0,0,1|2,0,0]=4 1406 B15R1.8875 NC(=O)c1ccccc1OC(F)C(=O)N 7a_100000192804_100009813875 [0,1,0,0,0,1|2,0,0]=4 1407 B15R1.8875 NC(=O)c1ccccc1OC(F)C(=O)[O-] 34a_100000192804_100020610796 [0,1,0,0,0,1|2,0,0]=4 1408 B15R1.8875 O=C(O)c1ccccc1SC(F)C(=O)[O-] 62a_100020610796_100000734275 [0,1,0,0,0,1|1,1,0]=4 1409 B15R1.8875 O=C(O)c1ccccc1SC(F)C(=O)[O-] 62a_202125556159_100020610796 [0,1,0,0,0,1|1,1,0]=4 1410 B15R1.3825 CCC(=O)Nc1cc(ccc1C(=O)C)Cl 1458a_100000195379_200000210301 [0,2,0,0,0,0|2,0,0]=4 1411 B15R1.3825 CCC(=O)Nc1cc(ccc1C(=O)N)Br 1626a_100012349972_100000210414 [0,2,0,0,0,0|2,0,0]=4 1412 B15R1.3825 CCC(=O)Nc1cc(ccc1C(=O)N)C 11a_100011219537_100000210414 [0,2,0,0,0,0|2,0,0]=4 1413 B15R1.3825 CCC(=O)Nc1cc(ccc1C(=O)N)C 1626a_100011219537_100000210414 [0,2,0,0,0,0|2,0,0]=4 1414 B15R1.3825 CCC(=O)Nc1cc(ccc1C(=O)N)C 22a_100011219537_100000210414 [0,2,0,0,0,0|2,0,0]=4 1415 B15R1.3825 CCC(=O)Nc1cc(ccc1C(=O)N)Cl 11a_100000738103_100000210414 [0,2,0,0,0,0|2,0,0]=4 1416 B15R1.3825 CCC(=O)Nc1cc(ccc1C(=O)N)Cl 1626a_100000738103_100000210414 [0,2,0,0,0,0|2,0,0]=4 1417 B15R1.3825 CCC(=O)Nc1cc(ccc1C(=O)N)F 11a_100011298637_100000210414 [0,2,0,0,0,0|2,0,0]=4 1418 B15R1.3825 CCC(=O)Nc1cc(ccc1C(=O)N)F 1626a_100011298637_100000210414 [0,2,0,0,0,0|2,0,0]=4 1419 B15R1.3825 CCC(=O)Nc1cc(ccc1C(=O)N)F 22a_100011298637_100000210414 [0,2,0,0,0,0|2,0,0]=4 1420 B15R1.3825 CCC(=O)Nc1cc(ccc1C(=O)N)O 22a_100012186684_100000210414 [0,2,0,0,0,0|2,0,0]=4 1421 B15R1.3825 CCC(=O)Nc1cc(ccc1C(=O)[13CH3])Cl 1458a_100000195379_200025704644 [0,2,0,0,0,0|2,0,0]=4 1422 B15R1.3825 Cc1ccc(c(c1)NC(=O)CO)C(=O)N 22a_100011219537_100000210174 [0,2,0,0,0,0|2,0,0]=4 1423 B15R1.3825 NC(=O)c1ccc(cc1NC(=O)CO)F 22a_100011298637_100000210174 [0,2,0,0,0,0|2,0,0]=4 1424 B15R1.3825 NC(=O)c1ccc(cc1NC(=O)CO)O 22a_100012186684_100000210174 [0,2,0,0,0,0|2,0,0]=4 1425 B15R1.8400 CC(=O)Nc1cc(c(cc1C(=O)N)Br)F 11a_100015444839_100015343762 [0,2,0,0,0,0|2,0,0]=4 1426 B15R1.8400 CC(=O)Nc1cc(c(cc1C(=O)N)Br)F 1626a_100015444839_100015343762 [0,2,0,0,0,0|2,0,0]=4 1427 B15R1.11677 CC(=O)Nc1cc(ccc1C(=O)CF)Br 1458a_100000747254_100015361967 [0,2,0,0,0,0|2,0,0]=4 1428 B15R1.11677 CC(=O)Nc1cc(ccc1C(=O)CF)Cl 1458a_100000195377_100015361967 [0,2,0,0,0,0|2,0,0]=4 1429 B15R1.11677 CC(=O)Nc1cc(ccc1C(=O)CF)F 1458a_100000222213_100015361967 [0,2,0,0,0,0|2,0,0]=4 1430 B15R1.11677 CC(C)Oc1cc(ccc1C(=O)NO)Cl 34a_100000199135_100000210206 [0,2,0,0,0,0|1,0,1]=4 1431 B15R1.11677 CCC(=O)c1ccc(cc1NC(=O)C)Br 1458a_100000747254_100000210202 [0,2,0,0,0,0|2,0,0]=4 1432 B15R1.11677 CCC(=O)c1ccc(cc1NC(=O)C)Cl 1458a_100000195377_100000210202 [0,2,0,0,0,0|2,0,0]=4 1433 B15R1.11677 CCC(=O)c1ccc(cc1NC(=O)C)F 1458a_100000222213_100000210202 [0,2,0,0,0,0|2,0,0]=4 1434 B15R1.11677 CNC(=O)c1ccc(cc1NC(=O)C)Br 240690a_100102657272_100000747254 [0,2,0,0,0,0|2,0,0]=4 1435 B15R1.11677 CNC(=O)c1ccc(cc1NC(=O)C)Cl 11a_100000742614_100015343762 [0,2,0,0,0,0|2,0,0]=4 1436 B15R1.11677 CNC(=O)c1ccc(cc1NC(=O)C)Cl 1626a_100000742614_100015343762 [0,2,0,0,0,0|2,0,0]=4 1437 B15R1.11677 CNC(=O)c1ccc(cc1NC(=O)C)Cl 240690a_100102657272_100000195377 [0,2,0,0,0,0|2,0,0]=4 1438 B15R1.11677 CNC(=O)c1ccc(cc1NC(=O)C)F 240690a_100102657272_100000222213 [0,2,0,0,0,0|2,0,0]=4 1439 B15R1.11677 COC(=O)c1ccc(cc1C=C(C)C)Br 271570a_100102525489_100000701758 [0,2,0,0,0,0|2,0,0]=4 1440 B15R1.11677 COC(=O)c1ccc(cc1C=C(C)C)C 271570a_100102525489_100012340597 [0,2,0,0,0,0|2,0,0]=4 1441 B15R1.11677 COC(=O)c1ccc(cc1C=C(C)C)Cl 271570a_100102525489_100000047510 [0,2,0,0,0,0|2,0,0]=4 1442 B15R1.11677 COC(=O)c1ccc(cc1C=C(C)C)F 271570a_100102525489_100000204356 [0,2,0,0,0,0|2,0,0]=4 1443 B15R1.11677 COC(=O)c1ccc(cc1C=C(C)C)N 271570a_100102525489_100009998378 [0,2,0,0,0,0|2,0,0]=4 1444 B15R1.11677 COC(=O)c1ccc(cc1C=C(C)C)O 271570a_100102525489_100010150825 [0,2,0,0,0,0|2,0,0]=4 1445 B15R1.11677 COC(=O)c1ccc(cc1CC(=O)C)Br 1458a_100000070787_100000693193 [0,2,0,0,0,0|1,0,0]=3 1446 B15R1.11677 COC(=O)c1ccc(cc1CC(=O)C)Cl 1458a_100000070787_100010239717 [0,2,0,0,0,0|1,0,0]=3 1447 B15R1.11677 COC(=O)c1ccc(cc1CC(=O)C)F 1458a_100000070787_100000700702 [0,2,0,0,0,0|1,0,0]=3 1448 B15R1.11677 COC(=O)c1ccc(cc1OC(C)C)Br 34a_100000699699_100000210206 [0,2,0,0,0,0|1,0,1]=4 1449 B15R1.11677 COC(=O)c1ccc(cc1OC(C)C)Br 7a_100000699699_100000210206 [0,2,0,0,0,0|1,0,1]=4 1450 B15R1.11677 COC(=O)c1ccc(cc1OC(C)C)C 34a_100000148187_100000210206 [0,2,0,0,0,0|1,0,1]=4 1451 B15R1.11677 COC(=O)c1ccc(cc1OC(C)C)C 7a_100000148187_100000210206 [0,2,0,0,0,0|1,0,1]=4 1452 B15R1.11677 COC(=O)c1ccc(cc1OC(C)C)Cl 34a_100000151441_100000210206 [0,2,0,0,0,0|1,0,1]=4 1453 B15R1.11677 COC(=O)c1ccc(cc1OC(C)C)Cl 7a_100000151441_100000210206 [0,2,0,0,0,0|1,0,1]=4 1454 B15R1.11677 COC(=O)c1ccc(cc1OC(C)C)F 34a_100011216117_100000210206 [0,2,0,0,0,0|1,0,1]=4 1455 B15R1.11677 COC(=O)c1ccc(cc1OC(C)C)F 7a_100011216117_100000210206 [0,2,0,0,0,0|1,0,1]=4 1456 B15R1.11677 COC(=O)c1ccc(cc1OC(C)C)I 7a_100000062286_100000210206 [0,2,0,0,0,0|1,0,1]=4 1457 B15R1.11677 COC(=O)c1ccc(cc1OC(C)C)N 34a_100000718744_100000210206 [0,2,0,0,0,0|1,0,1]=4 1458 B15R1.11677 COC(=O)c1ccc(cc1OC(C)C)N 7a_100000718744_100000210206 [0,2,0,0,0,0|1,0,1]=4 1459 B15R1.11677 Cc1ccc(c(c1)OC(C)C)C(=O)NO 34a_200000199133_100000210206 [0,2,0,0,0,0|1,0,1]=4 1460 B15R1.984 CC(=O)N(C)c1ccccc1C(=O)CF 1458a_100000242783_100015361967 [0,2,0,0,0,0|2,0,0]=4 1461 B15R1.984 CCC(=O)c1ccccc1N(C)C(=O)C 1458a_100000242783_100000210202 [0,2,0,0,0,0|2,0,0]=4 1462 B15R1.984 CNC(=O)c1ccccc1N(C)C(=O)C 1626a_100102657272_100000242783 [0,2,0,0,0,0|2,0,0]=4 1463 B15R1.984 CNC(=O)c1ccccc1N(C)C(=O)C 240690a_100102657272_100000242783 [0,2,0,0,0,0|2,0,0]=4 1464 B15R1.984 COC(=O)c1ccccc1C(=C(C)C)C 271570a_200000049429_100000148710 [0,2,0,0,0,0|2,0,0]=4 1465 B15R1.984 COC(=O)c1ccccc1N(C)C(=O)C 11a_100000170468_100015343762 [0,2,0,0,0,0|1,0,0]=3 1466 B15R1.984 COC(=O)c1ccccc1N(C)C(=O)C 1626a_100000170468_100015343762 [0,2,0,0,0,0|1,0,0]=3 1467 B15R1.1343 CCC(=O)N(C)c1ccccc1C(=O)N 11a_100000184419_100000210414 [0,2,0,0,0,0|2,0,0]=4 1468 B15R1.1343 CCC(=O)N(C)c1ccccc1C(=O)N 1626a_100000184419_100000210414 [0,2,0,0,0,0|2,0,0]=4 1469 B15R1.1343 COC(=O)N(C)c1ccccc1C(=O)C 1458a_100000744063_200000210301 [0,2,0,0,0,0|2,0,0]=4 1470 B15R1.1343 COC(=O)N(C)c1ccccc1C(=O)[13CH3] 1458a_100000744063_200025704644 [0,2,0,0,0,0|2,0,0]=4 1471 B15R1.8414 CC(=O)N(C)c1ccc(cc1C(=O)N)Br 1626a_200010114593_100015343762 [0,2,0,0,0,0|2,0,0]=4 1472 B15R1.810 CC(C)Oc1ccccc1C(=O)CCO 1458a_100000244644_100000211926 [0,2,0,0,0,0|1,0,1]=4 1473 B15R1.810 CCNC(=O)c1ccccc1NC(=O)C 11a_100000205978_100015343762 [0,2,0,0,0,0|2,0,0]=4 1474 B15R1.810 CCNC(=O)c1ccccc1NC(=O)C 1626a_100000205978_100015343762 [0,2,0,0,0,0|2,0,0]=4 1475 B15R1.810 CCNC(=O)c1ccccc1NC(=O)C 22a_100000205978_100000070787 [0,2,0,0,0,0|2,0,0]=4 1476 B15R1.810 CCNC(=O)c1ccccc1OC(=O)C 240690a_100015525214_100000210466 [0,2,0,0,0,0|1,0,0]=3 1477 B15R1.810 CCOC(=O)c1ccccc1C=C(C)C 271570a_100102525489_100000169879 [0,2,0,0,0,0|2,0,0]=4 1478 B15R1.810 CCOC(=O)c1ccccc1CC(=O)C 1458a_100000070787_100009816840 [0,2,0,0,0,0|1,0,0]=3 1479 B15R1.810 CCOC(=O)c1ccccc1OC(C)C 7a_100000169922_100000210206 [0,2,0,0,0,0|1,0,1]=4 1480 B15R1.810 CONC(=O)c1ccccc1NC(=O)C 11a_100011599994_100015343762 [0,2,0,0,0,0|1,0,0]=3 1481 B15R1.810 CONC(=O)c1ccccc1NC(=O)C 1626a_100011599994_100015343762 [0,2,0,0,0,0|1,0,0]=3 1482 B15R1.810 CONC(=O)c1ccccc1NC(=O)C 22a_100011599994_100000070787 [0,2,0,0,0,0|1,0,0]=3 1483 B15R1.925 CC(=O)Nc1ccc(cc1C(=O)CF)Br 1458a_100000195241_100015361967 [0,2,0,0,0,0|2,0,0]=4 1484 B15R1.925 CC(=O)Nc1ccc(cc1C(=O)CF)F 1458a_100011219192_100015361967 [0,2,0,0,0,0|2,0,0]=4 1485 B15R1.925 CC(C)Oc1ccc(cc1C(=O)NO)Cl 34a_100000199126_100000210206 [0,2,0,0,0,0|1,0,1]=4 1486 B15R1.925 CCC(=O)c1cc(ccc1NC(=O)C)Br 1458a_100000195241_100000210202 [0,2,0,0,0,0|2,0,0]=4 1487 B15R1.925 CCC(=O)c1cc(ccc1NC(=O)C)F 1458a_100011219192_100000210202 [0,2,0,0,0,0|2,0,0]=4 1488 B15R1.925 CNC(=O)c1cc(ccc1NC(=O)C)Br 11a_100000690504_100015343762 [0,2,0,0,0,0|2,0,0]=4 1489 B15R1.925 CNC(=O)c1cc(ccc1NC(=O)C)Br 1626a_100000690504_100015343762 [0,2,0,0,0,0|2,0,0]=4 1490 B15R1.925 CNC(=O)c1cc(ccc1NC(=O)C)Br 240690a_100102657272_100000195241 [0,2,0,0,0,0|2,0,0]=4 1491 B15R1.925 CNC(=O)c1cc(ccc1NC(=O)C)Cl 11a_100000739363_100015343762 [0,2,0,0,0,0|2,0,0]=4 1492 B15R1.925 CNC(=O)c1cc(ccc1NC(=O)C)Cl 1626a_100000739363_100015343762 [0,2,0,0,0,0|2,0,0]=4 1493 B15R1.925 CNC(=O)c1cc(ccc1NC(=O)C)Cl 22a_100000739363_100000070787 [0,2,0,0,0,0|2,0,0]=4 1494 B15R1.925 CNC(=O)c1cc(ccc1NC(=O)C)F 240690a_100102657272_100011219192 [0,2,0,0,0,0|2,0,0]=4 1495 B15R1.925 CNC(=O)c1cc(ccc1OC(=O)C)Br 240690a_100102657272_200009996594 [0,2,0,0,0,0|1,0,0]=3 1496 B15R1.925 CNC(=O)c1cc(ccc1OC(=O)C)C 1626a_100102657272_100000047319 [0,2,0,0,0,0|1,0,0]=3 1497 B15R1.925 CNC(=O)c1cc(ccc1OC(=O)C)C 240690a_100102657272_100000047319 [0,2,0,0,0,0|1,0,0]=3 1498 B15R1.925 CNC(=O)c1cc(ccc1OC(=O)C)Cl 240690a_100102657272_100000058116 [0,2,0,0,0,0|1,0,0]=3 1499 B15R1.925 COC(=O)c1cc(ccc1C=C(C)C)Br 271570a_100102525489_100000148213 [0,2,0,0,0,0|2,0,0]=4 1500 B15R1.925 COC(=O)c1cc(ccc1C=C(C)C)C 271570a_100102525489_100012339458 [0,2,0,0,0,0|2,0,0]=4 1501 B15R1.925 COC(=O)c1cc(ccc1C=C(C)C)Cl 271570a_100102525489_100011294804 [0,2,0,0,0,0|2,0,0]=4 1502 B15R1.925 COC(=O)c1cc(ccc1C=C(C)C)F 271570a_100102525489_100000205820 [0,2,0,0,0,0|2,0,0]=4 1503 B15R1.925 COC(=O)c1cc(ccc1C=C(C)C)N 271570a_100102525489_100000696289 [0,2,0,0,0,0|2,0,0]=4 1504 B15R1.925 COC(=O)c1cc(ccc1C=C(C)C)O 271570a_100102525489_100010230369 [0,2,0,0,0,0|2,0,0]=4 1505 B15R1.925 COC(=O)c1cc(ccc1CC(=O)C)Br 1458a_100000070787_100000728005 [0,2,0,0,0,0|1,0,0]=3 1506 B15R1.925 COC(=O)c1cc(ccc1CC(=O)C)Cl 1458a_100000070787_100012352085 [0,2,0,0,0,0|1,0,0]=3 1507 B15R1.925 COC(=O)c1cc(ccc1CC(=O)C)F 1458a_100000070787_100000751459 [0,2,0,0,0,0|1,0,0]=3 1508 B15R1.925 COC(=O)c1cc(ccc1CC(=O)C)I 1458a_100000070787_100011096949 [0,2,0,0,0,0|1,0,0]=3 1509 B15R1.925 COC(=O)c1cc(ccc1NC(=O)C)O 271570a_203496583355_200009811626 [0,2,0,0,0,0|1,0,0]=3 1510 B15R1.925 COC(=O)c1cc(ccc1OC(C)C)Br 34a_100000149267_100000210206 [0,2,0,0,0,0|1,0,1]=4 1511 B15R1.925 COC(=O)c1cc(ccc1OC(C)C)Br 7a_100000149267_100000210206 [0,2,0,0,0,0|1,0,1]=4 1512 B15R1.925 COC(=O)c1cc(ccc1OC(C)C)C 34a_100000216618_100000210206 [0,2,0,0,0,0|1,0,1]=4 1513 B15R1.925 COC(=O)c1cc(ccc1OC(C)C)C 7a_100000216618_100000210206 [0,2,0,0,0,0|1,0,1]=4 1514 B15R1.925 COC(=O)c1cc(ccc1OC(C)C)Cl 34a_100000149278_100000210206 [0,2,0,0,0,0|1,0,1]=4 1515 B15R1.925 COC(=O)c1cc(ccc1OC(C)C)Cl 7a_100000149278_100000210206 [0,2,0,0,0,0|1,0,1]=4 1516 B15R1.925 COC(=O)c1cc(ccc1OC(C)C)F 34a_100011219540_100000210206 [0,2,0,0,0,0|1,0,1]=4 1517 B15R1.925 COC(=O)c1cc(ccc1OC(C)C)F 7a_100011219540_100000210206 [0,2,0,0,0,0|1,0,1]=4 1518 B15R1.925 COC(=O)c1cc(ccc1OC(C)C)I 34a_100000149868_100000210206 [0,2,0,0,0,0|1,0,1]=4 1519 B15R1.925 COC(=O)c1cc(ccc1OC(C)C)I 7a_100000149868_100000210206 [0,2,0,0,0,0|1,0,1]=4 1520 B15R1.925 COC(=O)c1cc(ccc1OC(C)C)N 34a_100011246163_100000210206 [0,2,0,0,0,0|1,0,1]=4 1521 B15R1.925 COC(=O)c1cc(ccc1OC(C)C)N 7a_100011246163_100000210206 [0,2,0,0,0,0|1,0,1]=4 1522 B15R1.3847 C#CC(=O)Cc1ccccc1C(=O)OC 1458a_100000211873_100000744672 [0,2,0,0,0,0|1,0,1]=4 1523 B15R1.3847 C#CC(C)Oc1ccccc1C(=O)NO 34a_100000188472_200000035995 [0,2,0,0,0,0|1,0,1]=4 1524 B15R1.3847 C=CC(=O)Cc1ccccc1C(=O)OC 1458a_100000185746_100000744672 [0,2,0,0,0,0|1,0,1]=4 1525 B15R1.3847 CC(CO)Oc1ccccc1C(=O)NO 34a_100000188472_100012180447 [0,2,0,0,0,0|0,0,2]=4 1526 B15R1.3847 CCC(=O)Cc1ccccc1C(=O)OC 1458a_100000210414_100000744672 [0,2,0,0,0,0|1,0,0]=3 1527 B15R1.3847 CCC(=O)Cc1ccccc1C(=O)OC 1458a_100000695166_100000210202 [0,2,0,0,0,0|1,0,0]=3 1528 B15R1.3847 CCC(=O)Cc1cccnc1C(=O)OC 1458a_100000210414_100010177730 [0,2,0,0,0,0|2,0,0]=4 1529 B15R1.3847 CCC(=O)Cc1ncccc1C(=O)OC 1458a_100000210414_100000709840 [0,2,0,0,0,0|2,0,0]=4 1530 B15R1.3847 CCC(=O)Nc1ccccc1C(=O)CC 1458a_100000194446_100000210202 [0,2,0,0,0,0|2,0,0]=4 1531 B15R1.3847 CCC(=O)Nc1ccccc1C(=O)CF 1458a_100000194446_100015361967 [0,2,0,0,0,0|2,0,0]=4 1532 B15R1.3847 CCC(=O)Nc1ccccc1C(=O)NC 11a_100000185696_100000210414 [0,2,0,0,0,0|2,0,0]=4 1533 B15R1.3847 CCC(=O)Nc1ccccc1C(=O)NC 1626a_100000185696_100000210414 [0,2,0,0,0,0|2,0,0]=4 1534 B15R1.3847 CCC(=O)Nc1ccccc1C(=O)NC 22a_100000185696_100000210414 [0,2,0,0,0,0|2,0,0]=4 1535 B15R1.3847 CCC(=O)Nc1ccccc1C(=O)NC 240690a_100102657272_100000194446 [0,2,0,0,0,0|2,0,0]=4 1536 B15R1.3847 CCC(=O)Nc1ccccc1C(=O)NC 527a_100102657272_100000194446 [0,2,0,0,0,0|2,0,0]=4 1537 B15R1.3847 CCC(=O)c1ccccc1CC(=O)OC 1458a_100000726341_100000210202 [0,2,0,0,0,0|2,0,0]=4 1538 B15R1.3847 CCC(C)Oc1ccccc1C(=O)NO 34a_100000188472_100011215416 [0,2,0,0,0,0|1,0,1]=4 1539 B15R1.3847 CCC(C)Oc1ccccc1C(=O)OC 7a_100000150335_100000758301 [0,2,0,0,0,0|1,0,1]=4 1540 B15R1.3847 CNC(=O)Cc1ccccc1C(=O)OC 11a_106832991635_100000695166 [0,2,0,0,0,0|1,0,0]=3 1541 B15R1.3847 CNC(=O)Cc1ccccc1C(=O)OC 1626a_100102657272_100000695166 [0,2,0,0,0,0|1,0,0]=3 1542 B15R1.3847 CNC(=O)Cc1ccccc1C(=O)OC 240690a_100102657272_100000695166 [0,2,0,0,0,0|1,0,0]=3 1543 B15R1.3847 CNC(=O)Nc1ccccc1C(=O)NC 2430a_100000185696_100102657272 [0,2,0,0,0,0|2,0,0]=4 1544 B15R1.3847 CNC(=O)c1ccccc1CC(=O)OC 1626a_100102657272_100000726341 [0,2,0,0,0,0|2,0,0]=4 1545 B15R1.3847 CNC(=O)c1ccccc1CC(=O)OC 240690a_100102657272_100000726341 [0,2,0,0,0,0|2,0,0]=4 1546 B15R1.3847 CNC(=O)c1ccccc1NC(=O)CO 22a_100000185696_100000210174 [0,2,0,0,0,0|2,0,0]=4 1547 B15R1.3847 COC(=O)Cc1ccccc1C(=O)CF 1458a_100000726341_100015361967 [0,2,0,0,0,0|2,0,0]=4 1548 B15R1.3847 COC(=O)c1ccccc1CC(=O)CF 1458a_100000695166_100015361967 [0,2,0,0,0,0|1,0,0]=3 1549 B15R1.3847 COC(=O)c1ccccc1CC(=O)CO 1458a_100000210174_100000744672 [0,2,0,0,0,0|1,0,0]=3 1550 B15R1.3847 COC(=O)c1ccccc1OC(C)C#N 7a_100000150335_100000703298 [0,2,0,0,0,0|1,0,1]=4 1551 B15R1.3847 COC(=O)c1ccccc1OC(C)CO 7a_100000150335_100012180447 [0,2,0,0,0,0|0,0,2]=4 1552 B15R1.3847 COC(=O)c1cccnc1CC(=O)CO 1458a_100000210174_100000709840 [0,2,0,0,0,0|2,0,0]=4 1553 B15R1.3847 COC(=O)c1ncccc1CC(=O)CO 1458a_100000210174_100010177730 [0,2,0,0,0,0|2,0,0]=4 1554 B15R1.11372 CC(C)(C)Oc1ccccc1C(=O)NO 34a_100000188472_100000210625 [0,2,0,0,0,0|1,0,1]=4 1555 B15R1.11746 CC(=O)Nc1cccc(c1C(=O)CF)Cl 1458a_200011219801_100015361967 [0,2,0,0,0,0|2,0,0]=4 1556 B15R1.11746 CC(=O)Nc1cccc(c1C(=O)CF)F 1458a_100000756107_100015361967 [0,2,0,0,0,0|2,0,0]=4 1557 B15R1.11746 CCC(=O)c1c(cccc1NC(=O)C)Cl 1458a_200011219801_100000210202 [0,2,0,0,0,0|2,0,0]=4 1558 B15R1.11746 CCC(=O)c1c(cccc1NC(=O)C)F 1458a_100000756107_100000210202 [0,2,0,0,0,0|2,0,0]=4 1559 B15R1.11746 CNC(=O)c1c(cccc1NC(=O)C)Cl 240690a_100102657272_200011219801 [0,2,0,0,0,0|2,0,0]=4 1560 B15R1.11746 CNC(=O)c1c(cccc1NC(=O)C)F 240690a_100102657272_100000756107 [0,2,0,0,0,0|2,0,0]=4 1561 B15R1.11746 COC(=O)c1c(cccc1C=C(C)C)Br 271570a_100102525489_100010247157 [0,2,0,0,0,0|2,0,0]=4 1562 B15R1.11746 COC(=O)c1c(cccc1C=C(C)C)C 271570a_100102525489_100010204206 [0,2,0,0,0,0|2,0,0]=4 1563 B15R1.11746 COC(=O)c1c(cccc1C=C(C)C)Cl 271570a_100102525489_100010150959 [0,2,0,0,0,0|2,0,0]=4 1564 B15R1.11746 COC(=O)c1c(cccc1C=C(C)C)F 271570a_100102525489_100000150693 [0,2,0,0,0,0|2,0,0]=4 1565 B15R1.11746 COC(=O)c1c(cccc1C=C(C)C)N 271570a_100102525489_100010253892 [0,2,0,0,0,0|2,0,0]=4 1566 B15R1.11746 COC(=O)c1c(cccc1CC(=O)C)I 1458a_100000070787_200010272806 [0,2,0,0,0,0|1,0,0]=3 1567 B15R1.11746 COC(=O)c1c(cccc1OC(C)C)C 34a_100000084604_100000210206 [0,2,0,0,0,0|1,0,1]=4 1568 B15R1.11746 COC(=O)c1c(cccc1OC(C)C)C 7a_100000084604_100000210206 [0,2,0,0,0,0|1,0,1]=4 1569 B15R1.11746 COC(=O)c1c(cccc1OC(C)C)Cl 34a_200000055445_100000210206 [0,2,0,0,0,0|1,0,1]=4 1570 B15R1.11746 COC(=O)c1c(cccc1OC(C)C)Cl 7a_200000055445_100000210206 [0,2,0,0,0,0|1,0,1]=4 1571 B15R1.11746 COC(=O)c1c(cccc1OC(C)C)F 34a_100011216559_100000210206 [0,2,0,0,0,0|1,0,1]=4 1572 B15R1.11746 COC(=O)c1c(cccc1OC(C)C)F 7a_100011216559_100000210206 [0,2,0,0,0,0|1,0,1]=4 1573 B15R1.38499 CNC(=O)c1cccc(c1NC(=O)C)C 11a_100000223168_100015343762 [0,2,0,0,0,0|2,0,0]=4 1574 B15R1.38499 CNC(=O)c1cccc(c1NC(=O)C)C 1626a_100000223168_100015343762 [0,2,0,0,0,0|2,0,0]=4 1575 B15R1.38499 CNC(=O)c1cccc(c1NC(=O)C)Cl 1626a_200012181065_100015343762 [0,2,0,0,0,0|2,0,0]=4 1576 B15R1.38499 COC(=O)c1cccc(c1C=C(C)C)Br 271570a_100102525489_100010150843 [0,2,0,0,0,0|2,0,0]=4 1577 B15R1.38499 COC(=O)c1cccc(c1C=C(C)C)C 271570a_100102525489_100012002529 [0,2,0,0,0,0|2,0,0]=4 1578 B15R1.38499 COC(=O)c1cccc(c1C=C(C)C)F 271570a_100102525489_100012357630 [0,2,0,0,0,0|2,0,0]=4 1579 B15R1.38499 COC(=O)c1cccc(c1C=C(C)C)N 271570a_100102525489_100000719424 [0,2,0,0,0,0|2,0,0]=4 1580 B15R1.38499 COC(=O)c1cccc(c1C=C(C)C)O 271570a_100102525489_200010230364 [0,2,0,0,0,0|2,0,0]=4 1581 B15R1.38499 COC(=O)c1cccc(c1CC(=O)C)Br 1458a_100000070787_100012352084 [0,2,0,0,0,0|1,0,0]=3 1582 B15R1.38499 COC(=O)c1cccc(c1CC(=O)C)Cl 1458a_100000070787_100000725332 [0,2,0,0,0,0|1,0,0]=3 1583 B15R1.38499 COC(=O)c1cccc(c1CC(=O)C)F 1458a_100000070787_100010239718 [0,2,0,0,0,0|1,0,0]=3 1584 B15R1.38499 COC(=O)c1cccc(c1CC(=O)C)I 1458a_100000070787_100011003723 [0,2,0,0,0,0|1,0,0]=3 1585 B15R1.38499 COC(=O)c1cccc(c1NC(=O)C)C 188690a_100000741038_100015343762 [0,2,0,0,0,0|1,0,0]=3 1586 B15R1.38499 COC(=O)c1cccc(c1OC(C)C)Br 34a_100009816214_100000210206 [0,2,0,0,0,0|1,0,1]=4 1587 B15R1.38499 COC(=O)c1cccc(c1OC(C)C)C 34a_100000149854_100000210206 [0,2,0,0,0,0|1,0,1]=4 1588 B15R1.38499 COC(=O)c1cccc(c1OC(C)C)C 7a_100000149854_100000210206 [0,2,0,0,0,0|1,0,1]=4 1589 B15R1.38499 COC(=O)c1cccc(c1OC(C)C)Cl 34a_100000074923_100000210206 [0,2,0,0,0,0|1,0,1]=4 1590 B15R1.38499 COC(=O)c1cccc(c1OC(C)C)Cl 7a_100000074923_100000210206 [0,2,0,0,0,0|1,0,1]=4 1591 B15R1.38499 COC(=O)c1cccc(c1OC(C)C)F 34a_100000082593_100000210206 [0,2,0,0,0,0|1,0,1]=4 1592 B15R1.38499 COC(=O)c1cccc(c1OC(C)C)F 7a_100000082593_100000210206 [0,2,0,0,0,0|1,0,1]=4 1593 B15R1.38499 COC(=O)c1cccc(c1OC(C)C)N 34a_100000750886_100000210206 [0,2,0,0,0,0|1,0,1]=4 1594 B15R1.1274 C#CCC(=O)Nc1ccccc1C(=O)N 1626a_100000185089_100011220946 [0,2,0,0,0,0|2,0,0]=4 1595 B15R1.1274 C=CCC(=O)Nc1ccccc1C(=O)N 11a_100000185089_100000210193 [0,2,0,0,0,0|2,0,0]=4 1596 B15R1.1274 C=CCC(=O)Nc1ccccc1C(=O)N 1626a_100000185089_100000210193 [0,2,0,0,0,0|2,0,0]=4 1597 B15R1.1274 C=CCC(=O)Nc1ccccc1C(=O)N 22a_100000185089_100000210193 [0,2,0,0,0,0|2,0,0]=4 1598 B15R1.1274 CC#CC(=O)Nc1ccccc1C(=O)N 22a_100000185089_100000763181 [0,2,0,0,0,0|2,0,0]=4 1599 B15R1.1274 CC(=O)c1ccccc1NC(=O)CC#N 1458a_100000010298_200000210301 [0,2,0,0,0,0|2,0,0]=4 1600 B15R1.1274 CC=CC(=O)Nc1ccccc1C(=O)N 11a_100000185089_100000210699 [0,2,0,0,0,0|2,0,0]=4 1601 B15R1.1274 CC=CC(=O)Nc1ccccc1C(=O)N 1626a_100000185089_100000210699 [0,2,0,0,0,0|2,0,0]=4 1602 B15R1.1274 CC=CC(=O)Nc1ccccc1C(=O)N 22a_100000185089_100000210699 [0,2,0,0,0,0|2,0,0]=4 1603 B15R1.1274 CCCC(=O)Nc1ccccc1C(=O)C 1458a_100011208156_200000210301 [0,2,0,0,0,0|2,0,0]=4 1604 B15R1.1274 CCCC(=O)Nc1ccccc1C(=O)N 11a_100000185089_100000211992 [0,2,0,0,0,0|2,0,0]=4 1605 B15R1.1274 CCCC(=O)Nc1ccccc1C(=O)N 1626a_100000185089_100000211992 [0,2,0,0,0,0|2,0,0]=4 1606 B15R1.1274 CCCC(=O)Nc1ccccc1C(=O)N 22a_100000185089_100000211992 [0,2,0,0,0,0|2,0,0]=4 1607 B15R1.1274 CCCC(=O)Nc1ccccc1C(=O)[13CH3] 1458a_100011208156_200025704644 [0,2,0,0,0,0|2,0,0]=4 1608 B15R1.1274 CNCC(=O)Nc1ccccc1C(=O)C 2230a_106832991635_100000183221 [0,2,0,0,0,0|2,0,0]=4 1609 B15R1.1274 CNCC(=O)Nc1ccccc1C(=O)C 7a_106832991635_100000183221 [0,2,0,0,0,0|2,0,0]=4 1610 B15R1.1274 CNCC(=O)Nc1ccccc1C(=O)N 2230a_106832991635_100000182880 [0,2,0,0,0,0|2,0,0]=4 1611 B15R1.1274 CNCC(=O)Nc1ccccc1C(=O)N 7a_106832991635_100000182880 [0,2,0,0,0,0|2,0,0]=4 1612 B15R1.1274 COCC(=O)Nc1ccccc1C(=O)C 1458a_100000194449_200000210301 [0,2,0,0,0,0|2,0,0]=4 1613 B15R1.1274 COCC(=O)Nc1ccccc1C(=O)N 11a_100000185089_100000210968 [0,2,0,0,0,0|2,0,0]=4 1614 B15R1.1274 COCC(=O)Nc1ccccc1C(=O)N 1626a_100000185089_100000210968 [0,2,0,0,0,0|2,0,0]=4 1615 B15R1.1274 COCC(=O)Nc1ccccc1C(=O)N 22a_100000185089_100000210968 [0,2,0,0,0,0|2,0,0]=4 1616 B15R1.1274 COCC(=O)Nc1ccccc1C(=O)[13CH3] 1458a_100000194449_200025704644 [0,2,0,0,0,0|2,0,0]=4 1617 B15R1.1274 CSCC(=O)Nc1ccccc1C(=O)N 11a_100000185089_100000184570 [0,2,0,0,0,0|2,0,0]=4 1618 B15R1.1274 CSCC(=O)Nc1ccccc1C(=O)N 1626a_100000185089_100000184570 [0,2,0,0,0,0|2,0,0]=4 1619 B15R1.1274 CSCC(=O)Nc1ccccc1C(=O)N 22a_100000185089_100000184570 [0,2,0,0,0,0|2,0,0]=4 1620 B15R1.1274 CSCC(=O)Nc1ccccc1C(=O)N 62a_100000182880_200000210301 [0,2,0,0,0,0|2,0,0]=4 1621 B15R1.1274 N#CCC(=O)Nc1ccccc1C(=O)N 1626a_100000185089_100051588842 [0,2,0,0,0,0|2,0,0]=4 1622 B15R1.1274 N#CCC(=O)Nc1ccccc1C(=O)N 22a_100000185089_100051588842 [0,2,0,0,0,0|2,0,0]=4 1623 B15R1.1274 NC(=O)c1ccccc1NC(=O)CCO 22a_100000185089_100011216618 [0,2,0,0,0,0|2,0,0]=4 1624 B15R1.1274 [13CH3]C(=O)c1ccccc1NC(=O)CC#N 1458a_100000010298_200025704644 [0,2,0,0,0,0|2,0,0]=4 1625 B15R1.1274 [13CH3]SCC(=O)Nc1ccccc1C(=O)N 62a_100000182880_200025704644 [0,2,0,0,0,0|2,0,0]=4 1626 B15R1.2996 CCC(=O)Nc1ccc(cc1C(=O)N)Br 11a_100000740421_100000210414 [0,2,0,0,0,0|2,0,0]=4 1627 B15R1.2996 CCC(=O)Nc1ccc(cc1C(=O)N)Br 1626a_100000740421_100000210414 [0,2,0,0,0,0|2,0,0]=4 1628 B15R1.2996 CCC(=O)Nc1ccc(cc1C(=O)N)Br 22a_100000740421_100000210414 [0,2,0,0,0,0|2,0,0]=4 1629 B15R1.2996 CCC(=O)Nc1ccc(cc1C(=O)N)C 11a_100011692829_100000210414 [0,2,0,0,0,0|2,0,0]=4 1630 B15R1.2996 CCC(=O)Nc1ccc(cc1C(=O)N)C 1626a_100011692829_100000210414 [0,2,0,0,0,0|2,0,0]=4 1631 B15R1.2996 CCC(=O)Nc1ccc(cc1C(=O)N)C 22a_100011692829_100000210414 [0,2,0,0,0,0|2,0,0]=4 1632 B15R1.2996 CCC(=O)Nc1ccc(cc1C(=O)N)Cl 11a_100000743835_100000210414 [0,2,0,0,0,0|2,0,0]=4 1633 B15R1.2996 CCC(=O)Nc1ccc(cc1C(=O)N)Cl 1626a_100000743835_100000210414 [0,2,0,0,0,0|2,0,0]=4 1634 B15R1.2996 CCC(=O)Nc1ccc(cc1C(=O)N)Cl 22a_100000743835_100000210414 [0,2,0,0,0,0|2,0,0]=4 1635 B15R1.2996 CCC(=O)Nc1ccc(cc1C(=O)N)F 11a_100000741173_100000210414 [0,2,0,0,0,0|2,0,0]=4 1636 B15R1.2996 CCC(=O)Nc1ccc(cc1C(=O)N)F 1626a_100000741173_100000210414 [0,2,0,0,0,0|2,0,0]=4 1637 B15R1.2996 CCC(=O)Nc1ccc(cc1C(=O)N)F 22a_100000741173_100000210414 [0,2,0,0,0,0|2,0,0]=4 1638 B15R1.2996 Cc1ccc(c(c1)C(=O)N)NC(=O)CO 22a_100011692829_100000210174 [0,2,0,0,0,0|2,0,0]=4 1639 B15R1.2996 NC(=O)c1cc(ccc1NC(=O)CO)Br 22a_100000740421_100000210174 [0,2,0,0,0,0|2,0,0]=4 1640 B15R1.2996 NC(=O)c1cc(ccc1NC(=O)CO)Cl 22a_100000743835_100000210174 [0,2,0,0,0,0|2,0,0]=4 1641 B15R1.2996 NC(=O)c1cc(ccc1NC(=O)CO)F 22a_100000741173_100000210174 [0,2,0,0,0,0|2,0,0]=4 1642 B15R1.13377 CCC(=O)Nc1cccc(c1C(=O)N)C 11a_100102558177_100000210414 [0,2,0,0,0,0|2,0,0]=4 1643 B15R1.13377 CCC(=O)Nc1cccc(c1C(=O)N)C 1626a_100102558177_100000210414 [0,2,0,0,0,0|2,0,0]=4 1644 B15R1.13377 CCC(=O)Nc1cccc(c1C(=O)N)C 22a_100102558177_100000210414 [0,2,0,0,0,0|2,0,0]=4 1645 B15R1.13377 CCC(=O)Nc1cccc(c1C(=O)N)Cl 11a_100000764435_100000210414 [0,2,0,0,0,0|2,0,0]=4 1646 B15R1.13377 CCC(=O)Nc1cccc(c1C(=O)N)Cl 1626a_100000764435_100000210414 [0,2,0,0,0,0|2,0,0]=4 1647 B15R1.13377 CCC(=O)Nc1cccc(c1C(=O)N)F 11a_100000036109_100000210414 [0,2,0,0,0,0|2,0,0]=4 1648 B15R1.13377 CCC(=O)Nc1cccc(c1C(=O)N)F 1626a_100000036109_100000210414 [0,2,0,0,0,0|2,0,0]=4 1649 B15R1.13377 CCC(=O)Nc1cccc(c1C(=O)N)F 22a_100000036109_100000210414 [0,2,0,0,0,0|2,0,0]=4 1650 B15R1.13377 Cc1cccc(c1C(=O)N)NC(=O)CO 22a_100102558177_100000210174 [0,2,0,0,0,0|2,0,0]=4 1651 B15R1.13377 NC(=O)c1c(cccc1NC(=O)CO)F 22a_100000036109_100000210174 [0,2,0,0,0,0|2,0,0]=4 1652 B15R1.40363 CCC(=O)Nc1c(cccc1C(=O)N)Br 1626a_100010144993_100000210414 [0,2,0,0,0,0|2,0,0]=4 1653 B15R1.40363 CCC(=O)Nc1c(cccc1C(=O)N)C 1626a_100000223273_100000210414 [0,2,0,0,0,0|2,0,0]=4 1654 B15R1.40363 CCC(=O)Nc1c(cccc1C(=O)N)Cl 1626a_200011997947_100000210414 [0,2,0,0,0,0|2,0,0]=4 1655 B15R1.40363 CCC(=O)Nc1c(cccc1C(=O)N)F 1626a_100011722151_100000210414 [0,2,0,0,0,0|2,0,0]=4 1656 B15R1.3560 CC(=O)Nc1c(cc(cc1C(=O)N)Cl)C 1626a_200000101212_100015343762 [0,2,0,0,0,0|2,0,0]=4 1657 B15R1.12643 COc1cccc(c1NC(=O)C)C(=O)C 1458a_200010423200_200000210301 [0,2,0,0,0,0|2,0,0]=4 1658 B15R1.12643 COc1cccc(c1NC(=O)C)C(=O)N 11a_200012000163_100015343762 [0,2,0,0,0,0|2,0,0]=4 1659 B15R1.12643 COc1cccc(c1NC(=O)C)C(=O)N 1626a_200012000163_100015343762 [0,2,0,0,0,0|2,0,0]=4 1660 B15R1.12643 COc1cccc(c1NC(=O)C)C(=O)N 22a_200012000163_100000070787 [0,2,0,0,0,0|2,0,0]=4 1661 B15R1.12643 COc1cccc(c1NC(=O)C)C(=O)[13CH3] 1458a_200010423200_200025704644 [0,2,0,0,0,0|2,0,0]=4 1662 B15R1.1647 COc1cccc(c1C(=O)N)NC(=O)C 11a_200012186629_100015343762 [0,2,0,0,0,0|2,0,0]=4 1663 B15R1.1647 COc1cccc(c1C(=O)N)NC(=O)C 1626a_200012186629_100015343762 [0,2,0,0,0,0|2,0,0]=4 1664 B15R1.1647 COc1cccc(c1C(=O)N)NC(=O)C 22a_200012186629_100000070787 [0,2,0,0,0,0|2,0,0]=4 1665 B15R1.1927 CCc1ccc(c(c1)C(=O)N)NC(=O)C 11a_100014932089_100015343762 [0,2,0,0,0,0|2,0,0]=4 1666 B15R1.1927 CCc1ccc(c(c1)C(=O)N)NC(=O)C 1626a_100014932089_100015343762 [0,2,0,0,0,0|2,0,0]=4 1667 B15R1.1927 CCc1ccc(c(c1)C(=O)N)NC(=O)C 22a_100014932089_100000070787 [0,2,0,0,0,0|2,0,0]=4 1668 B15R1.1927 COc1ccc(c(c1)C(=O)N)NC(=O)C 11a_100011380456_100015343762 [0,2,0,0,0,0|2,0,0]=4 1669 B15R1.1927 COc1ccc(c(c1)C(=O)N)NC(=O)C 1626a_100011380456_100015343762 [0,2,0,0,0,0|2,0,0]=4 1670 B15R1.1927 COc1ccc(c(c1)C(=O)N)NC(=O)C 22a_100011380456_100000070787 [0,2,0,0,0,0|2,0,0]=4 1671 B13R1.56 C=Cc1cc(cc(c1)OC(=O)C)F 271570a_100011290941_200015324874 [0,0,1,1,0,0|2,0,0]=4 1672 B13R2.72 CC(=O)C1C=Cc2c1cccc2 1458a_200009832160_200000210301 [1,0,0,1,0,0|2,0,0]=4 1673 B13R2.72 [13CH3]C(=O)C1C=Cc2c1cccc2 1458a_200009832160_200025704644 [1,0,0,1,0,0|2,0,0]=4 1674 B13R2.328 Cc1cc(c2ccccc2n1)O 271570a_203496583355_100000764982 [1,0,0,1,0,0|2,0,0]=4 1675 B13R2.328 Cc1cc2ccccc2c(n1)O 271570a_203496583355_100000698243 [1,0,0,1,0,0|2,0,0]=4 1676 B13R2.328 Cc1nc(c2ccccc2n1)O 271570a_203496583355_100000230251 [1,0,0,1,0,0|2,0,0]=4 1677 B13R2.328 O=c1cc(c2ccccc2[nH]1)O 271570a_203496583355_100000075698 [1,0,0,1,0,0|1,0,1]=4 1678 B13R2.581 C=Cc1cccc2c1CC(=O)C2 271570a_100011290941_100010205903 [1,0,0,1,0,0|2,0,0]=4 1679 B13R2.581 C=Cc1cccc2c1NC(=O)C2 271570a_100011290941_100000767046 [1,0,0,1,0,0|2,0,0]=4 1680 B13R2.581 C=Cc1cccc2c1oc(=O)[nH]2 271570a_100011290941_100012360093 [1,0,0,1,0,0|2,0,0]=4 1681 B13R2.581 C=Cc1cccc2c1oc(n2)C 271570a_100011290941_100010168998 [1,0,0,1,0,0|2,0,0]=4 1682 B13R2.2931 CNC1OC(=O)c2c1cccc2 2230a_106832991635_100009813457 [1,0,0,1,0,0|2,0,0]=4 1683 B13R2.2931 CSC1OC(=O)c2c1cccc2 62a_200000210301_100009813457 [1,0,0,1,0,0|2,0,0]=4 1684 B13R2.2931 [13CH3]SC1OC(=O)c2c1cccc2 62a_200025704644_100009813457 [1,0,0,1,0,0|2,0,0]=4 1685 B13R2.5569 CC(=O)c1cccc2c1OCC2 1458a_100011216994_200000210301 [1,0,0,1,0,0|1,0,1]=4 1686 B13R2.5569 CC(=O)c1cccc2c1occ2 1458a_100000098497_200000210301 [1,0,0,1,0,0|1,0,1]=4 1687 B13R2.5569 CC(=O)c1cccc2c1ocn2 1458a_100012186845_200000210301 [1,0,0,1,0,0|2,0,0]=4 1688 B13R2.5569 [13CH3]C(=O)c1cccc2c1OCC2 1458a_100011216994_200025704644 [1,0,0,1,0,0|1,0,1]=4 1689 B13R2.5569 [13CH3]C(=O)c1cccc2c1occ2 1458a_100000098497_200025704644 [1,0,0,1,0,0|1,0,1]=4 1690 B13R2.5569 [13CH3]C(=O)c1cccc2c1ocn2 1458a_100012186845_200025704644 [1,0,0,1,0,0|2,0,0]=4 1691 B13R2.371 Cc1ccc(c2c1cccc2)O 271570a_203496583355_100011215156 [0,0,0,1,1,0|2,0,0]=4 1692 B13R2.371 Cc1cnc(c2c1cccc2)O 271570a_203496583355_100000112005 [0,0,0,1,1,0|2,0,0]=4 1693 B13R2.371 Cc1ncc(c2c1cccc2)O 271570a_203496583355_100010239772 [0,0,0,1,1,0|2,0,0]=4 1694 B13R2.371 Cc1nnc(c2c1cccc2)O 271570a_203496583355_100000189618 [0,0,0,1,1,0|2,0,0]=4 1695 B13R2.371 O=c1[nH]nc(c2c1cccc2)O 271570a_203496583355_100010235092 [0,0,0,1,1,0|2,0,0]=4 1696 B15R2.988 CC(=O)c1cc(cc2c1cccc2)O 1458a_100009841457_200000210301 [0,0,0,1,0,1|2,0,0]=4 1697 B15R2.988 [13CH3]C(=O)c1cc(cc2c1cccc2)O 1458a_100009841457_200025704644 [0,0,0,1,0,1|2,0,0]=4 1698 B15R2.1106 CC(=O)Nc1cccc2c1[nH]c(=O)[nH]2 11a_100000723059_100015343762 [0,0,0,1,0,1|2,0,0]=4 1699 B15R2.1106 CC(=O)Nc1cccc2c1[nH]c(=O)[nH]2 22a_100000723059_100000070787 [0,0,0,1,0,1|2,0,0]=4 1700 B15R2.1106 CC(=O)Nc1cccc2c1[nH]c(=O)[nH]2 527a_100000723059_100103153847 [0,0,0,1,0,1|2,0,0]=4 1701 B15R2.1106 CC(=O)Nc1cccc2c1nc(o2)C 11a_100011934982_100015343762 [0,0,0,1,0,1|2,0,0]=4 1702 B15R2.1106 CC(=O)Nc1cccc2c1nc(o2)C 1626a_100011934982_100015343762 [0,0,0,1,0,1|2,0,0]=4 1703 B15R2.1106 CC(=O)Nc1cccc2c1nc(o2)C 22a_100011934982_100000070787 [0,0,0,1,0,1|2,0,0]=4 1704 B15R2.1106 CC(=O)Nc1cccc2c1nc(o2)C 527a_100011934982_100103153847 [0,0,0,1,0,1|2,0,0]=4 1705 B15R2.1106 CC(=O)Nc1cccc2c1oc(=O)[nH]2 11a_100000093329_100015343762 [0,0,0,1,0,1|2,0,0]=4 1706 B15R2.1106 CC(=O)Nc1cccc2c1oc(=O)[nH]2 22a_100000093329_100000070787 [0,0,0,1,0,1|2,0,0]=4 1707 B15R2.1106 CC(=O)Nc1cccc2c1oc(=O)[nH]2 527a_100000093329_100103153847 [0,0,0,1,0,1|2,0,0]=4 1708 B15R2.1106 CC(=O)Nc1cccc2c1oc(c2)C 11a_200015185323_100015343762 [0,0,0,1,0,1|2,0,0]=4 1709 B15R2.1106 CC(=O)Nc1cccc2c1oc(c2)C 1626a_200015185323_100015343762 [0,0,0,1,0,1|2,0,0]=4 1710 B15R2.1106 CC(=O)Nc1cccc2c1oc(c2)C 22a_200015185323_100000070787 [0,0,0,1,0,1|2,0,0]=4 1711 B15R2.1106 CC(=O)Nc1cccc2c1oc(c2)C 527a_200015185323_100103153847 [0,0,0,1,0,1|2,0,0]=4 1712 B15R2.384 CC(=O)c1cccc2c1OCC(=O)N2 1458a_100000060354_200000210301 [0,0,0,1,0,1|2,0,0]=4 1713 B15R2.384 [13CH3]C(=O)c1cccc2c1OCC(=O)N2 1458a_100000060354_200025704644 [0,0,0,1,0,1|2,0,0]=4 1714 B15R2.53147 CC(=O)C=C1OC(=O)c2c1cccc2 1458a_200000693922_200000210301 [0,0,0,1,0,1|1,0,0]=3 1715 B15R2.53147 CC(=O)CC1NC(=O)c2c1cccc2 1458a_100000066322_200000210301 [0,0,0,1,0,1|2,0,0]=4 1716 B15R2.53147 CC(=O)CC1OC(=O)c2c1cccc2 1458a_100000185305_200000210301 [0,0,0,1,0,1|1,0,0]=3 1717 B15R2.53147 CC(=O)NC1NC(=O)c2c1cccc2 1626a_100016086272_100015343762 [0,0,0,1,0,1|2,0,0]=4 1718 B15R2.53147 CC(=O)NC1NC(=O)c2c1cccc2 240690a_100016086272_100015343762 [0,0,0,1,0,1|2,0,0]=4 1719 B15R2.53147 CC(=O)NC1NC(=O)c2c1cccc2 527a_100016086272_100103153847 [0,0,0,1,0,1|2,0,0]=4 1720 B15R2.53147 [13CH3]C(=O)C=C1OC(=O)c2c1cccc2 1458a_200000693922_200025704644 [0,0,0,1,0,1|1,0,0]=3 1721 B15R2.53147 [13CH3]C(=O)CC1NC(=O)c2c1cccc2 1458a_100000066322_200025704644 [0,0,0,1,0,1|2,0,0]=4 1722 B15R2.53147 [13CH3]C(=O)CC1OC(=O)c2c1cccc2 1458a_100000185305_200025704644 [0,0,0,1,0,1|1,0,0]=3 1723 B15R2.14628 CC(=O)c1ccc(c2c1cccc2)O 271570a_203496583355_100012355271 [0,1,0,1,0,0|2,0,0]=4 1724 B15R2.19309 CCC(=O)c1cccc2c1oc(n2)C 1458a_100011934341_100000210202 [0,1,0,1,0,0|2,0,0]=4 1725 B15R2.19309 CNC(=O)c1cccc2c1NC(=O)C2 240690a_100102657272_100000082743 [0,1,0,1,0,0|2,0,0]=4 1726 B15R2.19309 CNC(=O)c1cccc2c1oc(n2)C 11a_106832991635_100011934341 [0,1,0,1,0,0|2,0,0]=4 1727 B15R2.19309 CNC(=O)c1cccc2c1oc(n2)C 1626a_100102657272_100011934341 [0,1,0,1,0,0|2,0,0]=4 1728 B15R2.19309 CNC(=O)c1cccc2c1oc(n2)C 527a_100102657272_100011934341 [0,1,0,1,0,0|2,0,0]=4 1729 B15R2.19309 Cc1nc2cccc(c2o1)C(=O)CF 1458a_100011934341_100015361967 [0,1,0,1,0,0|2,0,0]=4 1730 B15R2.19335 O=C(NO)c1ccccc1OC2CC2 34a_100000188472_100000211595 [0,1,0,1,0,0|1,0,1]=4 1731 B15R2.49945 CC(=Cc1cccc2c1C(=O)CO2)C 271570a_100102525489_100010205902 [0,1,0,1,0,0|2,0,0]=4 1732 B15R2.49945 CC(=Cc1cccc2c1C(=O)OC2)C 271570a_100102525489_100010132333 [0,1,0,1,0,0|2,0,0]=4 1733 B15R2.49945 CC(=O)Nc1cccc2c1C(=O)NC2 11a_100000026006_100015343762 [0,1,0,1,0,0|2,0,0]=4 1734 B15R2.49945 CC(=O)Nc1cccc2c1C(=O)NC2 1626a_100000026006_100015343762 [0,1,0,1,0,0|2,0,0]=4 1735 B15R2.49945 CC(C)Oc1cccc2c1C(=O)CO2 34a_200009856558_100000210206 [0,1,0,1,0,0|1,0,1]=4 1736 B15R2.7268 CC(=O)c1cccc2c1NC(=O)CO2 1458a_100009852551_200000210301 [0,1,0,1,0,0|2,0,0]=4 1737 B15R2.7268 [13CH3]C(=O)c1cccc2c1NC(=O)CO2 1458a_100009852551_200025704644 [0,1,0,1,0,0|2,0,0]=4 1738 B15R2.23388 CCC(=O)C1CC(=O)c2c1cccc2 1458a_100000210414_100010208147 [0,1,0,1,0,0|2,0,0]=4 1739 B15R2.23388 O=C1CC(c2c1cccc2)C(=O)CO 1458a_100000210174_100010208147 [0,1,0,1,0,0|2,0,0]=4 1740 B15R2.383 CC(=O)n1cc(c2c1ccc(c2)O)O 271570a_203496583355_100009812741 [0,1,0,1,0,0|2,0,0]=4 1741 B15R2.7332 O=C1CNC(=O)c2cc(ccc2N1)O 271570a_203496583355_100009812218 [0,1,0,1,0,0|2,0,0]=4 1742 B13R1.90 C=C(C)COc1ccccc1CO 34a_100011216872_100000748629 [1,0,0,0,0,1|1,0,1]=4 1743 B13R1.90 C=C(C)CSc1ccccc1C=O 62a_100000210073_100000211660 [1,0,0,0,0,1|1,1,0]=4 1744 B13R1.90 C=C(C)CSc1ccccc1C=O 62a_100000748629_100000210073 [1,0,0,0,0,1|1,1,0]=4 1745 B13R1.90 C=Cc1ccccc1CNC(=O)C 271570a_100011290941_100011237613 [1,0,0,0,0,1|2,0,0]=4 1746 B13R1.90 C=Cc1ccccc1OCC(=O)N 271570a_100011290941_200000148491 [1,0,0,0,0,1|2,0,0]=4 1747 B13R1.90 CC(=O)CCc1ccccc1C=O 1458a_100000070787_100010186698 [1,0,0,0,0,1|1,0,0]=3 1748 B13R1.90 CC(=O)COc1ccccc1C#N 1458a_100000182527_200000210301 [1,0,0,0,0,1|1,0,1]=4 1749 B13R1.90 CC(=O)COc1ccccc1CO 1458a_200011894254_200000210301 [1,0,0,0,0,1|0,0,1]=3 1750 B13R1.90 CC(=O)NCc1ccccc1CO 240690a_100000743596_100015343762 [1,0,0,0,0,1|1,0,1]=4 1751 B13R1.90 CC(=O)NCc1ccccc1CO 527a_100000743596_100103153847 [1,0,0,0,0,1|1,0,1]=4 1752 B13R1.90 CC(C)OCc1ccccc1C=O 34a_100000212225_200009853537 [1,0,0,0,0,1|1,0,1]=4 1753 B13R1.90 CCc1ccccc1OCC(=O)C 1458a_100000182566_200000210301 [1,0,0,0,0,1|1,0,1]=4 1754 B13R1.90 CCc1ccccc1OCC(=O)[13CH3] 1458a_100000182566_200025704644 [1,0,0,0,0,1|1,0,1]=4 1755 B13R1.90 COc1ccccc1OCC(=O)C 1458a_100000182946_200000210301 [1,0,0,0,0,1|2,0,0]=4 1756 B13R1.90 COc1ccccc1OCC(=O)[13CH3] 1458a_100000182946_200025704644 [1,0,0,0,0,1|2,0,0]=4 1757 B13R1.90 NC(=O)COc1ccccc1CO 34a_100011216872_100000187820 [1,0,0,0,0,1|1,0,1]=4 1758 B13R1.90 NC(=O)CSc1ccccc1C=O 62a_100000210073_100000747473 [1,0,0,0,0,1|1,1,0]=4 1759 B13R1.90 NC(=O)CSc1ccccc1C=O 62a_100000747473_100000210073 [1,0,0,0,0,1|1,1,0]=4 1760 B13R1.90 O=C([O-])COc1ccccc1CO 34a_100011216872_100020667443 [1,0,0,0,0,1|1,0,1]=4 1761 B13R1.90 O=Cc1ccccc1SCC(=O)[O-] 62a_100000210073_100020667443 [1,0,0,0,0,1|1,1,0]=4 1762 B13R1.90 O=Cc1ccccc1SCC(=O)[O-] 62a_100020667443_100000210073 [1,0,0,0,0,1|1,1,0]=4 1763 B13R1.90 [13CH3]C(=O)COc1ccccc1C#N 1458a_100000182527_200025704644 [1,0,0,0,0,1|1,0,1]=4 1764 B13R1.90 [13CH3]C(=O)COc1ccccc1CO 1458a_200011894254_200025704644 [1,0,0,0,0,1|0,0,1]=3 1765 B13R1.587 C=C(C)c1cccc(c1)OC(=O)C 271570a_100000694244_100009811612 [0,0,0,0,1,1|2,0,0]=4 1766 B13R1.587 CC(=O)Cc1cccc(c1)C(=O)C 1458a_100000070787_100000084091 [0,0,0,0,1,1|2,0,0]=4 1767 B13R1.587 CC(=O)Cc1cccc(c1)C(=O)N 1458a_100000070787_100000738444 [0,0,0,0,1,1|2,0,0]=4 1768 B13R1.587 CC(=O)Nc1cccc(c1)C(=O)C 1458a_100000188798_200000210301 [0,0,0,0,1,1|2,0,0]=4 1769 B13R1.587 CC(=O)Nc1cccc(c1)C(=O)N 11a_100000217337_100015343762 [0,0,0,0,1,1|2,0,0]=4 1770 B13R1.587 CC(=O)Nc1cccc(c1)C(=O)N 1626a_100000217337_100015343762 [0,0,0,0,1,1|2,0,0]=4 1771 B13R1.587 CC(=O)Nc1cccc(c1)C(=O)N 22a_100000217337_100000070787 [0,0,0,0,1,1|2,0,0]=4 1772 B13R1.587 CC(=O)Nc1cccc(c1)C(=O)[13CH3] 1458a_100000188798_200025704644 [0,0,0,0,1,1|2,0,0]=4 1773 B15R1.5914 C=C(C)COc1ccccc1NC(=O)C 11a_100000243823_100015343762 [0,0,0,0,0,2|2,0,0]=4 1774 B15R1.5914 C=C(C)COc1ccccc1NC(=O)C 1626a_100000243823_100015343762 [0,0,0,0,0,2|2,0,0]=4 1775 B15R1.5914 C=C(C)COc1ccccc1NC(=O)C 22a_100000243823_100000070787 [0,0,0,0,0,2|2,0,0]=4 1776 B15R1.5914 C=C(C)COc1ccccc1NC(=O)C 34a_100000185124_100000748629 [0,0,0,0,0,2|2,0,0]=4 1777 B15R1.5914 C=C(C)COc1ccccc1NC(=O)C 527a_100000243823_100103153847 [0,0,0,0,0,2|2,0,0]=4 1778 B15R1.5914 C=C(C)COc1ccccc1NC(=O)C 7a_100000185124_100000748629 [0,0,0,0,0,2|2,0,0]=4 1779 B15R1.5914 C=C(C)CSc1ccccc1OC(=O)C 62a_100000051690_100000211660 [0,0,0,0,0,2|2,0,0]=4 1780 B15R1.5914 C=C(C)CSc1ccccc1OC(=O)C 62a_100000748629_100000051690 [0,0,0,0,0,2|2,0,0]=4 1781 B15R1.5914 C=C(F)CSc1ccccc1OC(=O)C 62a_100000042424_100000051690 [0,0,0,0,0,2|2,0,0]=4 1782 B15R1.5914 C=C(F)CSc1ccccc1OC(=O)C 62a_100000051690_100000042424 [0,0,0,0,0,2|2,0,0]=4 1783 B15R1.5914 CC(=O)C=Cc1ccccc1NC(=O)C 1458a_200016992062_200000210301 [0,0,0,0,0,2|2,0,0]=4 1784 B15R1.5914 CC(=O)COc1ccccc1NC(=O)C 1458a_100011204883_200000210301 [0,0,0,0,0,2|1,0,0]=3 1785 B15R1.5914 CC(=O)CSc1ccccc1NC(=O)C 1458a_100000027783_200000210301 [0,0,0,0,0,2|1,1,0]=4 1786 B15R1.5914 CC(=O)Cc1ccccc1SCC(=O)N 62a_100000747473_100011350739 [0,0,0,0,0,2|2,0,0]=4 1787 B15R1.5914 CC(=O)Cc1ccccc1SCC(=O)N 62a_100011350739_100000747473 [0,0,0,0,0,2|2,0,0]=4 1788 B15R1.5914 CC(=O)Cc1ccccc1SCC(=O)[O-] 62a_100011350739_100020667443 [0,0,0,0,0,2|1,0,1]=4 1789 B15R1.5914 CC(=O)Cc1ccccc1SCC(=O)[O-] 62a_100020667443_100011350739 [0,0,0,0,0,2|1,0,1]=4 1790 B15R1.5914 CC(=O)Nc1ccccc1C=CC(=O)[13CH3] 1458a_200016992062_200025704644 [0,0,0,0,0,2|2,0,0]=4 1791 B15R1.5914 CC(=O)Nc1ccccc1NCC(=O)N 34a_100011193560_100000187820 [0,0,0,0,0,2|2,0,0]=4 1792 B15R1.5914 CC(=O)Nc1ccccc1NCC(=O)[O-] 34a_100011193560_100020667443 [0,0,0,0,0,2|1,0,1]=4 1793 B15R1.5914 CC(=O)Nc1ccccc1OCC(=O)N 34a_100000185124_100000187820 [0,0,0,0,0,2|2,0,0]=4 1794 B15R1.5914 CC(=O)Nc1ccccc1OCC(=O)N 7a_100000185124_100000187820 [0,0,0,0,0,2|2,0,0]=4 1795 B15R1.5914 CC(=O)Nc1ccccc1OCC(=O)[13CH3] 1458a_100011204883_200025704644 [0,0,0,0,0,2|1,0,0]=3 1796 B15R1.5914 CC(=O)Nc1ccccc1OCC(=O)[O-] 34a_100000185124_100020667443 [0,0,0,0,0,2|1,0,1]=4 1797 B15R1.5914 CC(=O)Nc1ccccc1SCC(=O)N 11a_100000187061_100015343762 [0,0,0,0,0,2|2,0,0]=4 1798 B15R1.5914 CC(=O)Nc1ccccc1SCC(=O)N 22a_100000187061_100000070787 [0,0,0,0,0,2|2,0,0]=4 1799 B15R1.5914 CC(=O)Nc1ccccc1SCC(=O)N 62a_100000747473_100000153524 [0,0,0,0,0,2|2,0,0]=4 1800 B15R1.5914 CC(=O)Nc1ccccc1SCC(=O)[13CH3] 1458a_100000027783_200025704644 [0,0,0,0,0,2|1,1,0]=4 1801 B15R1.5914 CC(=O)Nc1ccccc1SCC(=O)[O-] 62a_100020667443_100000153524 [0,0,0,0,0,2|1,0,1]=4 1802 B15R1.5914 CC(=O)Oc1ccccc1C=CC(C)O 271570a_200011019289_100000051690 [0,0,0,0,0,2|1,0,1]=4 1803 B15R1.5914 CC(=O)Oc1ccccc1SCC(=O)N 62a_100000051690_100000747473 [0,0,0,0,0,2|1,0,0]=3 1804 B15R1.5914 CC(=O)Oc1ccccc1SCC(=O)N 62a_100000747473_100000051690 [0,0,0,0,0,2|1,0,0]=3 1805 B15R1.5914 CC(=O)Oc1ccccc1SCC(=O)[O-] 62a_100000051690_100020667443 [0,0,0,0,0,2|0,0,1]=3 1806 B15R1.5914 CC(=O)Oc1ccccc1SCC(=O)[O-] 62a_100020667443_100000051690 [0,0,0,0,0,2|0,0,1]=3 1807 B15R1.5914 CC(=O)Oc1ccccc1SCC(C)O 62a_100000051690_100011218427 [0,0,0,0,0,2|1,0,1]=4 1808 B15R1.5914 CC(=O)Oc1ccccc1SCC(C)O 62a_100011218427_100000051690 [0,0,0,0,0,2|1,0,1]=4 1809 B15R1.5914 CC(=O)Oc1ccccc1SC[C@@H](C)O 62a_100000051690_100009817552 [0,0,0,0,0,2|1,0,1]=4 1810 B15R1.5914 CC(=O)Oc1ccccc1SC[C@@H](C)O 62a_100009817552_100000051690 [0,0,0,0,0,2|1,0,1]=4 1811 B15R1.5914 CC(=O)Oc1ccccc1SC[N+](=O)[O-] 62a_100000051690_100000761209 [0,0,0,0,0,2|1,0,1]=4 1812 B15R1.5914 CC(=O)Oc1cccnc1SCC(=O)N 62a_100000747473_200009815371 [0,0,0,0,0,2|2,0,0]=4 1813 B15R1.5914 CC(=O)Oc1cccnc1SCC(=O)N 62a_200009815371_100000747473 [0,0,0,0,0,2|2,0,0]=4 1814 B15R1.5914 CC(=O)Oc1cccnc1SCC(=O)[O-] 62a_100020667443_200009815371 [0,0,0,0,0,2|1,0,1]=4 1815 B15R1.5914 CC(=O)Oc1cccnc1SCC(=O)[O-] 62a_200009815371_100020667443 [0,0,0,0,0,2|1,0,1]=4 1816 B15R1.8882 C=C(C)CCOc1ccccc1C(=O)N 34a_100000192804_100000730704 [0,0,0,0,0,2|2,0,0]=4 1817 B15R1.8882 C=C(C)CCOc1ccccc1C(=O)N 7a_100000192804_100000730704 [0,0,0,0,0,2|2,0,0]=4 1818 B15R1.8882 C=C(C)CCOc1ccccc1C(=O)[O-] 7a_100015234032_100000730704 [0,0,0,0,0,2|1,0,1]=4 1819 B15R1.8882 C=C(C)CCSc1ccccc1C(=O)O 62a_100000730704_100000734275 [0,0,0,0,0,2|1,1,0]=4 1820 B15R1.8882 C=C(C)CCSc1ccccc1C(=O)O 62a_202125556159_100000730704 [0,0,0,0,0,2|1,1,0]=4 1821 B15R1.8882 C=C(C)CNCc1ccccc1C(=O)O 269956a_100015183376_100000748629 [0,0,0,0,0,2|2,0,0]=4 1822 B15R1.8882 C=C(C)c1ccccc1NCOC(=O)C 34a_100000037685_100009813279 [0,0,0,0,0,2|2,0,0]=4 1823 B15R1.8882 CC(=CCOc1ccccc1C(=O)N)C 34a_100000192804_100000761012 [0,0,0,0,0,2|2,0,0]=4 1824 B15R1.8882 CC(=CCOc1ccccc1C(=O)N)C 7a_100000192804_100000761012 [0,0,0,0,0,2|2,0,0]=4 1825 B15R1.8882 CC(=CCOc1ccccc1C(=O)[O-])C 7a_100015234032_100000761012 [0,0,0,0,0,2|1,0,1]=4 1826 B15R1.8882 CC(=CCSc1ccccc1C(=O)O)C 62a_100000761012_100000734275 [0,0,0,0,0,2|1,1,0]=4 1827 B15R1.8882 CC(=CCSc1ccccc1C(=O)O)C 62a_202125556159_100000761012 [0,0,0,0,0,2|1,1,0]=4 1828 B15R1.8882 CC(=O)CCOc1ccccc1C(=O)C 1458a_100000070787_100000184561 [0,0,0,0,0,2|1,0,0]=3 1829 B15R1.8882 CC(=O)CCOc1ccccc1C(=O)N 7a_100000192804_100000053229 [0,0,0,0,0,2|1,0,0]=3 1830 B15R1.8882 CC(=O)CCOc1ccccc1C(=O)[O-] 7a_100015234032_100000053229 [0,0,0,0,0,2|0,0,1]=3 1831 B15R1.8882 CC(=O)CCOc1ccccc1C(=S)N 7a_100000745089_100000053229 [0,0,0,0,0,2|1,1,0]=4 1832 B15R1.8882 CC(=O)CCOc1ccccc1C(C)O 7a_200011232679_100000053229 [0,0,0,0,0,2|1,0,1]=4 1833 B15R1.8882 CC(=O)CCOc1ccccc1[N+](=O)[O-] 1458a_100000070787_100000741959 [0,0,0,0,0,2|1,0,1]=4 1834 B15R1.8882 CC(=O)CCOc1ccccc1[N+](=O)[O-] 1458a_100000244353_200000210301 [0,0,0,0,0,2|1,0,1]=4 1835 B15R1.8882 CC(=O)CCOc1ccccc1[N+](=O)[O-] 7a_100000186319_100000053229 [0,0,0,0,0,2|1,0,1]=4 1836 B15R1.8882 CC(=O)CCOc1cccnc1C(=O)C 7a_100000087166_100000053229 [0,0,0,0,0,2|2,0,0]=4 1837 B15R1.8882 CC(=O)CCOc1cccnc1C(=O)N 7a_200011215183_100000053229 [0,0,0,0,0,2|2,0,0]=4 1838 B15R1.8882 CC(=O)CCOc1cnccc1C(=O)C 7a_100009872882_100000053229 [0,0,0,0,0,2|2,0,0]=4 1839 B15R1.8882 CC(=O)CCOc1cnccc1C(=O)N 7a_100012022987_100000053229 [0,0,0,0,0,2|2,0,0]=4 1840 B15R1.8882 CC(=O)CCSc1ccccc1C(=O)C 62a_100000751169_100000053229 [0,0,0,0,0,2|1,1,0]=4 1841 B15R1.8882 CC(=O)CCSc1ccccc1C(=O)N 62a_100000053229_100000162227 [0,0,0,0,0,2|1,1,0]=4 1842 B15R1.8882 CC(=O)CCSc1ccccc1C(=O)N 62a_100000162227_100000053229 [0,0,0,0,0,2|1,1,0]=4 1843 B15R1.8882 CC(=O)CCSc1ccccc1C(=O)O 62a_100000053229_100000734275 [0,0,0,0,0,2|0,1,0]=3 1844 B15R1.8882 CC(=O)CCSc1ccccc1C(=O)O 62a_202125556159_100000053229 [0,0,0,0,0,2|0,1,0]=3 1845 B15R1.8882 CC(=O)COCc1ccccc1B(O)O 34a_100000211253_100009814197 [0,0,0,0,0,2|1,0,1]=4 1846 B15R1.8882 CC(=O)COCc1ccccc1[N+](=O)[O-] 34a_100000211253_100000181388 [0,0,0,0,0,2|1,0,1]=4 1847 B15R1.8882 CC(=O)OCNc1ccccc1C(=O)N 34a_100000185089_100009813279 [0,0,0,0,0,2|1,0,0]=3 1848 B15R1.8882 CC(=O)OCOc1ccccc1C(=O)N 34a_100000192804_100009813279 [0,0,0,0,0,2|1,0,0]=3 1849 B15R1.8882 CC(=O)OCOc1ccccc1C(C)O 34a_200011232679_100009813279 [0,0,0,0,0,2|1,0,1]=4 1850 B15R1.8882 CC(=O)OCOc1ccccc1[N+](=O)[O-] 34a_100000186319_100009813279 [0,0,0,0,0,2|1,0,1]=4 1851 B15R1.8882 CC(=O)OCOc1cccnc1C(=O)C 34a_100000087166_100009813279 [0,0,0,0,0,2|2,0,0]=4 1852 B15R1.8882 CC(=O)OCOc1cccnc1C(=O)N 34a_200011215183_100009813279 [0,0,0,0,0,2|2,0,0]=4 1853 B15R1.8882 CC(=O)OCOc1ccncc1C(=O)N 34a_200011998761_100009813279 [0,0,0,0,0,2|2,0,0]=4 1854 B15R1.8882 CC(=O)OCSc1ccccc1B(O)O 62a_100000076356_100000693059 [0,0,0,0,0,2|1,0,1]=4 1855 B15R1.8882 CC(=O)OCSc1ccccc1B(O)O 62a_100000693059_100000076356 [0,0,0,0,0,2|1,0,1]=4 1856 B15R1.8882 CC(=O)OCSc1ccccc1C(=O)C 62a_100000751169_100000076356 [0,0,0,0,0,2|1,0,0]=3 1857 B15R1.8882 CC(=O)OCSc1ccccc1C(=O)N 62a_100000076356_100000162227 [0,0,0,0,0,2|1,0,0]=3 1858 B15R1.8882 CC(=O)OCSc1ccccc1C(=O)N 62a_100000162227_100000076356 [0,0,0,0,0,2|1,0,0]=3 1859 B15R1.8882 CC(=O)OCSc1ccccc1C(=O)O 62a_100000076356_100000734275 [0,0,0,0,0,2|0,0,0]=2 1860 B15R1.8882 CC(=O)OCSc1ccccc1C(=O)O 62a_202125556159_100000076356 [0,0,0,0,0,2|0,0,0]=2 1861 B15R1.8882 CC(=O)OCSc1ccccc1C(C)O 62a_100000076356_100000702211 [0,0,0,0,0,2|1,0,1]=4 1862 B15R1.8882 CC(=O)OCSc1ccccc1C(C)O 62a_100000702211_100000076356 [0,0,0,0,0,2|1,0,1]=4 1863 B15R1.8882 CC(=O)OCSc1ccccc1S(=O)C 62a_100000734199_100000076356 [0,0,0,0,0,2|2,0,0]=4 1864 B15R1.8882 CC(=O)OCSc1cccnc1C(=O)C 62a_100000076356_100012348690 [0,0,0,0,0,2|2,0,0]=4 1865 B15R1.8882 CC(=O)OCSc1cccnc1C(=O)C 62a_100012348690_100000076356 [0,0,0,0,0,2|2,0,0]=4 1866 B15R1.8882 CC(=O)OCSc1cccnc1C(=O)N 62a_100000076356_200012359670 [0,0,0,0,0,2|2,0,0]=4 1867 B15R1.8882 CC(=O)OCSc1cccnc1C(=O)N 62a_200012359670_100000076356 [0,0,0,0,0,2|2,0,0]=4 1868 B15R1.8882 CC(=O)OCSc1ccncc1C(=O)C 62a_100000076356_100160469449 [0,0,0,0,0,2|2,0,0]=4 1869 B15R1.8882 CC(=O)OCSc1ccncc1C(=O)C 62a_100160469449_100000076356 [0,0,0,0,0,2|2,0,0]=4 1870 B15R1.8882 CC(=O)OCSc1ccncc1C(=O)N 62a_100000076356_100000697804 [0,0,0,0,0,2|2,0,0]=4 1871 B15R1.8882 CC(=O)OCSc1ccncc1C(=O)N 62a_100000697804_100000076356 [0,0,0,0,0,2|2,0,0]=4 1872 B15R1.8882 CC(=O)OCSc1cnccc1C(=O)C 62a_100000076356_100009993184 [0,0,0,0,0,2|2,0,0]=4 1873 B15R1.8882 CC(=O)OCSc1cnccc1C(=O)C 62a_100009993184_100000076356 [0,0,0,0,0,2|2,0,0]=4 1874 B15R1.8882 CC(=O)OCSc1cnccc1C(=O)N 62a_100000076356_100010205435 [0,0,0,0,0,2|2,0,0]=4 1875 B15R1.8882 CC(=O)OCSc1cnccc1C(=O)N 62a_100010205435_100000076356 [0,0,0,0,0,2|2,0,0]=4 1876 B15R1.8882 CC(=O)OCSc1ncccc1C(=O)C 62a_100000076356_100000753718 [0,0,0,0,0,2|2,0,0]=4 1877 B15R1.8882 CC(=O)OCSc1ncccc1C(=O)C 62a_100000753718_100000076356 [0,0,0,0,0,2|2,0,0]=4 1878 B15R1.8882 CC(=O)OCSc1ncccc1C(=O)N 62a_100000076356_100000162199 [0,0,0,0,0,2|2,0,0]=4 1879 B15R1.8882 CC(=O)OCSc1ncccc1C(=O)N 62a_100000162199_100000076356 [0,0,0,0,0,2|2,0,0]=4 1880 B15R1.8882 CC(C)OCSc1ccccc1C(=O)O 62a_100000709892_100000734275 [0,0,0,0,0,2|1,0,1]=4 1881 B15R1.8882 CC(C)OCSc1ccccc1C(=O)O 62a_202125556159_100000709892 [0,0,0,0,0,2|1,0,1]=4 1882 B15R1.8882 NC(=O)CCOc1ccccc1C(=O)N 34a_100000192804_100000731001 [0,0,0,0,0,2|2,0,0]=4 1883 B15R1.8882 NC(=O)CCOc1ccccc1C(=O)N 7a_100000192804_100000744528 [0,0,0,0,0,2|2,0,0]=4 1884 B15R1.8882 NC(=O)CCOc1ccccc1C(=O)[O-] 7a_100015234032_100000744528 [0,0,0,0,0,2|1,0,1]=4 1885 B15R1.8882 NC(=O)CCSc1ccccc1C(=O)O 62a_100000744528_100000734275 [0,0,0,0,0,2|1,1,0]=4 1886 B15R1.8882 NC(=O)CCSc1ccccc1C(=O)O 62a_202125556159_100000744528 [0,0,0,0,0,2|1,1,0]=4 1887 B15R1.8882 NC(=O)CNCc1ccccc1C(=O)O 269956a_100015183376_100000187820 [0,0,0,0,0,2|2,0,0]=4 1888 B15R1.8882 O=C([O-])CNCc1ccccc1C(=O)O 269956a_100015183376_100020667443 [0,0,0,0,0,2|2,0,0]=4 1889 B15R1.8882 [13CH3]C(=O)CCOc1ccccc1[N+](=O)[O-] 1458a_100000244353_200025704644 [0,0,0,0,0,2|1,0,1]=4