0 B12R1.58 C#CC1=NC(=CC(=N1)OC)OC Z4190773390 [0,0,0,0,0,0|3,0,1]=4 1 B12R1.58 CCC1=CC(=CC(=C1)CC)CC Z104476614 [0,0,0,0,0,0|3,0,0]=3 2 B12R1.58 CNC1=CC(=CC(=C1)OC)OC Z1795817840 [0,0,0,0,0,0|1,0,0]=1 3 B12R1.58 COC1=CC(=CC(=C1)CO)CO Z1255446296 [0,0,0,0,0,0|4,0,0]=4 4 B12R1.58 COC1=CC(=CC(=C1)OC)C#N Z57899965 [0,0,0,0,0,0|2,0,0]=2 5 B12R1.58 COC1=CC(=CC(=C1)OC)C=O Z104486276 [0,0,0,0,0,0|2,0,0]=2 6 B12R1.58 COC1=CC(=CC(=C1)OC)CO Z335245222 [0,0,0,0,0,0|2,0,0]=2 7 B12R1.58 COC1=CC(=CC(=C1)OC)OC Z54718053 [0,0,0,0,0,0|0,0,0]=0 8 B12R1.58 COC1=CC(=NC(=N1)CN)OC Z1198167791 [0,0,0,0,0,0|4,0,0]=4 9 B11R1.9 CCC1=CC(=CC(=C1)CC)N Z3633212098 [1,0,0,0,0,0|3,0,0]=4 10 B11R1.9 COC1=CC(=CC(=C1)Br)C=O Z1269112446 [1,0,0,0,0,0|3,0,0]=4 11 B11R1.9 COC1=CC(=CC(=C1)C)C#N Z1255420193 [1,0,0,0,0,0|2,0,0]=3 12 B11R1.9 COC1=CC(=CC(=C1)C)C=O Z1198308161 [1,0,0,0,0,0|2,0,0]=3 13 B11R1.9 COC1=CC(=CC(=C1)C)CN Z1255382555 [1,0,0,0,0,0|2,0,0]=3 14 B11R1.9 COC1=CC(=CC(=C1)Cl)C=O Z1198176472 [1,0,0,0,0,0|3,0,0]=4 15 B11R1.9 COC1=CC(=CC(=C1)Cl)CO Z1198176471 [1,0,0,0,0,0|3,0,0]=4 16 B11R1.9 COC1=CC(=CC(=C1)F)C=O Z1255387605 [1,0,0,0,0,0|3,0,0]=4 17 B11R1.9 COC1=CC(=CC(=C1)F)CO Z1255391474 [1,0,0,0,0,0|3,0,0]=4 18 B11R1.9 COC1=CC(=CC(=C1)O)C#N Z1198330385 [1,0,0,0,0,0|2,0,0]=3 19 B11R1.9 COC1=CC(=CC(=C1)O)C=O Z1255401668 [1,0,0,0,0,0|2,0,0]=3 20 B11R1.9 COC1=CC(=CC(=C1)OC)N Z104477210 [1,0,0,0,0,0|1,0,0]=2 21 B11R1.9 COC1=CC(=CC(=C1)OC)O Z56347218 [1,0,0,0,0,0|0,0,0]=1 22 B11R1.9 COC1=CC(=NC(=C1)C)C=O Z1255363827 [1,0,0,0,0,0|3,0,0]=4 23 B11R1.9 COC1=CC(=NC(=C1)C)CO Z1216813615 [1,0,0,0,0,0|3,0,0]=4 24 B11R1.9 COC1=CC(=NC(=C1)N)OC Z5087131314 [1,0,0,0,0,0|2,0,0]=3 25 B11R1.9 COC1=CC(=NC(=N1)N)OC Z104497298 [1,0,0,0,0,0|3,0,0]=4 26 B11R1.9 COC1=NC(=CC(=C1)C#N)C Z1255504939 [1,0,0,0,0,0|3,0,0]=4 27 B11R1.9 COC1=NC(=CC(=C1)C=O)C Z1255500328 [1,0,0,0,0,0|3,0,0]=4 28 B11R1.9 COC1=NC(=NC(=C1)N)OC Z1255486563 [1,0,0,0,0,0|3,0,0]=4 29 B13R1.313 CCC1=CC(=CC(=C1)OC)C(=O)O Z1255505916 [0,1,0,0,0,0|3,0,0]=4 30 B13R1.313 COC1=CC(=CC(=C1)B(O)O)OC Z1255458106 [0,1,0,0,0,0|2,0,0]=3 31 B13R1.313 COC1=CC(=CC(=C1)C(=O)O)OC Z104476958 [0,1,0,0,0,0|2,0,0]=3 32 B13R1.313 COC1=CC(=CC(=C1)C(C)N)OC Z4966524078 [0,1,0,0,0,0|1,0,0]=2 33 B13R1.313 COC1=CC(=CC(=N1)OC)C(=O)O Z1255438074 [0,1,0,0,0,0|3,0,0]=4 34 B13R1.358 CCCC1=CC(=CC(=C1)OC)OC Z367678474 [0,1,0,0,0,0|1,0,0]=2 35 B13R1.358 CNCC1=CC(=CC(=C1)OC)OC Z102767670 [0,1,0,0,0,0|1,0,0]=2 36 B13R1.358 COC1=CC(=CC(=C1)OC)CC#N Z1203161909 [0,1,0,0,0,0|1,0,1]=3 37 B13R1.358 COC1=CC(=CC(=C1)OC)CC=O Z1198160280 [0,1,0,0,0,0|1,0,1]=3 38 B13R1.433 COC1=CC(=C(C(=C1)CO)I)OC Z1726152055 [0,1,0,0,0,0|2,0,0]=3 39 B13R1.433 COC1=CC(=C(C(=C1)OC)Br)C=O Z1269228623 [0,1,0,0,0,0|2,0,0]=3 40 B13R1.433 COC1=CC(=C(C(=C1)OC)I)C=O Z2311077303 [0,1,0,0,0,0|2,0,0]=3 41 B13R1.433 COC1=CC(=CC(=C1Br)OC)C=O Z1269194191 [0,1,0,0,0,0|2,0,0]=3 42 B13R1.433 COC1=CC(=CC(=C1C)OC)C=O Z1255466312 [0,1,0,0,0,0|2,0,0]=3 43 B13R1.433 COC1=CC(=CC(=C1O)OC)C=O Z104501688 [0,1,0,0,0,0|2,0,0]=3 44 B13R1.433 COC1=CC(=CC(=C1O)OC)CN Z335455576 [0,1,0,0,0,0|2,0,0]=3 45 B13R1.433 COC1=NC(=C(C(=N1)OC)N)OC Z1216842914 [0,1,0,0,0,0|2,0,0]=3 46 B10R1.8 CC1=CC(=CC(=C1)C#N)C Z838974050 [2,0,0,0,0,0|2,0,0]=4 47 B10R1.8 CC1=CC(=CC(=C1)C=O)C Z838973254 [2,0,0,0,0,0|2,0,0]=4 48 B10R1.8 CC1=CC(=CC(=C1)NN)C Z56951220 [2,0,0,0,0,0|2,0,0]=4 49 B10R1.8 CC1=CC(=CC(=C1)O)CN Z2718921393 [2,0,0,0,0,0|2,0,0]=4 50 B10R1.8 CNC1=CC(=CC(=C1)C)C Z752370988 [2,0,0,0,0,0|1,0,0]=3 51 B10R1.8 CNC1=CC(=CC(=C1)C)F Z5017436077 [2,0,0,0,0,0|2,0,0]=4 52 B10R1.8 COC1=CC(=CC(=C1)N)Br Z1065885484 [2,0,0,0,0,0|2,0,0]=4 53 B10R1.8 COC1=CC(=CC(=C1)N)F Z1201618813 [2,0,0,0,0,0|2,0,0]=4 54 B10R1.8 COC1=CC(=CC(=C1)N)O Z1203579402 [2,0,0,0,0,0|1,0,0]=3 55 B10R1.8 COC1=CC(=CC(=C1)O)Br Z1269138872 [2,0,0,0,0,0|1,0,0]=3 56 B10R1.8 COC1=CC(=CC(=C1)O)Cl Z1079209556 [2,0,0,0,0,0|1,0,0]=3 57 B10R1.8 COC1=CC(=O)OC(=C1)C Z1255423471 [2,0,0,0,0,0|1,0,1]=4 58 B10R1.8 COC1=NC(=CC(=C1)C)C Z1255389258 [2,0,0,0,0,0|1,0,0]=3 59 B10R1.8 NCC1=CC(=CC(=C1)O)O Z3824854092 [2,0,0,0,0,0|2,0,0]=4 60 B10R1.172 CCC1=CC(=CC=C1)NC Z335280692 [2,0,0,0,0,0|2,0,0]=4 61 B10R1.172 CNC1=CC(=CC=C1)OC Z3013892520 [2,0,0,0,0,0|1,0,0]=3 62 B10R1.172 CNC1=CC(=CC=C1)SC Z335253758 [2,0,0,0,0,0|1,1,0]=4 63 B10R1.172 CNC1=NC(=CC=C1)OC Z104494274 [2,0,0,0,0,0|2,0,0]=4 64 B10R1.172 COC1=CC(=CC=C1)C=O Z53836050 [2,0,0,0,0,0|2,0,0]=4 65 B10R1.172 COC1=CC(=CC=C1)CCl Z104486106 [2,0,0,0,0,0|2,0,0]=4 66 B10R1.172 COC1=CC(=CC=C1)CO Z90121251 [2,0,0,0,0,0|2,0,0]=4 67 B10R1.172 COC1=CC(=CC=C1)NN Z94599902 [2,0,0,0,0,0|2,0,0]=4 68 B10R1.172 COC1=CN=CC(=C1)OC Z1198157277 [2,0,0,0,0,0|1,0,0]=3 69 B12R1.11 COC1=CC(=CC(=C1)Cl)C(=O)C Z1551958187 [1,1,0,0,0,0|2,0,0]=4 70 B12R1.11 COC1=CC(=CC(=C1)N)C(C)C Z6020170572 [1,1,0,0,0,0|2,0,0]=4 71 B12R1.11 COC1=CC(=CC(=C1)O)C(=O)O Z1198169196 [1,1,0,0,0,0|2,0,0]=4 72 B12R1.41 COC1=CC(=CC(=C1)C)CCN Z4927155537 [1,1,0,0,0,0|1,0,0]=3 73 B12R1.235 CCC1=CC(=CC(=C1Br)CC)C Z1269219611 [1,1,0,0,0,0|2,0,0]=4 74 B12R1.235 COC1=C(C(=CC(=C1)C)C=O)O Z1198170084 [1,1,0,0,0,0|2,0,0]=4 75 B12R1.235 COC1=CC(=CC(=C1Br)OC)N Z1269184066 [1,1,0,0,0,0|1,0,0]=3 76 B12R1.235 COC1=CC(=CC(=C1C)OC)N Z1262624919 [1,1,0,0,0,0|1,0,0]=3 77 B12R1.235 COC1=CC(=CC(=C1Cl)OC)N Z1262690763 [1,1,0,0,0,0|1,0,0]=3 78 B12R1.235 COC1=CC(=CC(=C1O)OC)C Z57234306 [1,1,0,0,0,0|0,0,0]=2 79 B12R1.235 COC1=CC(=CC(=C1O)OC)I Z3244837967 [1,1,0,0,0,0|1,0,0]=3 80 B12R1.300 COC1=C(C(=CC(=C1)C#N)O)O Z3485480896 [1,1,0,0,0,0|2,0,0]=4 81 B12R1.300 COC1=C(C(=CC(=C1)C=O)O)O Z56979310 [1,1,0,0,0,0|2,0,0]=4 82 B12R1.300 COC1=CC(=C(C(=C1)Cl)Br)OC Z2733507276 [1,1,0,0,0,0|1,0,0]=3 83 B12R1.300 COC1=CC(=C(C(=C1)F)Br)OC Z1269206754 [1,1,0,0,0,0|1,0,0]=3 84 B12R1.300 COC1=CC(=C(C(=C1)I)Cl)OC Z2301503441 [1,1,0,0,0,0|1,0,0]=3 85 B12R1.300 COC1=CC(=C(C(=C1)N)Cl)OC Z1262624154 [1,1,0,0,0,0|1,0,0]=3 86 B12R1.300 COC1=CC(=C(C(=C1)N)N)OC Z1262644468 [1,1,0,0,0,0|1,0,0]=3 87 B14R1.357 CCC(N)C1=CC(=CC(=C1)OC)OC Z2934529923 [0,2,0,0,0,0|1,0,0]=3 88 B14R1.357 CCC(O)C1=CC(=CC(=C1)OC)OC Z367678472 [0,2,0,0,0,0|1,0,0]=3 89 B14R1.357 CNC(=O)C1=CC(=CC(=C1)OC)OC Z32016574 [0,2,0,0,0,0|1,0,0]=3 90 B14R1.357 COC(=O)C1=CC(=CC(=C1)OC)C=O Z1198307920 [0,2,0,0,0,0|2,0,0]=4 91 B14R1.357 COC(=O)C1=CC(=CC(=C1)OC)OC Z18414741 [0,2,0,0,0,0|0,0,0]=2 92 B14R1.357 COC1=CC(=CC(=C1)C(=O)NN)OC Z56921133 [0,2,0,0,0,0|2,0,0]=4 93 B14R1.362 COC1=CC(=CC(=C1Br)OC)C(=O)O Z104510360 [0,2,0,0,0,0|2,0,0]=4 94 B14R1.362 COC1=CC(=CC(=C1C)OC)C(=O)N Z33545383 [0,2,0,0,0,0|2,0,0]=4 95 B14R1.362 COC1=CC(=CC(=C1C)OC)C(=O)O Z104485712 [0,2,0,0,0,0|2,0,0]=4 96 B14R1.362 COC1=CC(=CC(=C1O)OC)C(=O)C Z1255450019 [0,2,0,0,0,0|1,0,0]=3 97 B14R1.362 COC1=CC(=CC(=C1O)OC)C(=O)O Z1255360342 [0,2,0,0,0,0|2,0,0]=4 98 B14R1.372 COC1=CC(=CC(=C1)S(=O)(=O)N)OC Z1269195544 [0,2,0,0,0,0|1,1,0]=4 99 B14R1.563 COC1=CC(=C(C(=C1)OC)Cl)C(=O)O Z1508927347 [0,2,0,0,0,0|2,0,0]=4 100 B14R1.563 COC1=CC(=C(C(=C1)OC)N)C(=O)O Z234896241 [0,2,0,0,0,0|2,0,0]=4 101 B14R1.763 COC1=CC(=CC(=C1)OC)NCCN Z1337429866 [0,2,0,0,0,0|1,0,0]=3 102 B14R1.763 COC1=CC(=CC(=C1)OCCN)OC Z1431904704 [0,2,0,0,0,0|0,0,0]=2 103 B14R1.763 COC1=CC(=CC(=C1)OCCO)OC Z427899164 [0,2,0,0,0,0|0,0,0]=2 104 B14R1.3236 CCCC1=CC(=C(C(=C1)OC)O)OC Z57234305 [0,2,0,0,0,0|1,0,0]=3 105 B14R1.3236 CNCC1=CC(=C(C(=C1)OC)Br)OC Z5530569901 [0,2,0,0,0,0|1,0,0]=3 106 B14R1.3236 COC1=CC(=CC(=C1Br)OC)CCN Z4607559033 [0,2,0,0,0,0|1,0,0]=3 107 B14R1.3236 COC1=CC(=CC(=C1O)OC)CCN Z1198150182 [0,2,0,0,0,0|1,0,0]=3 108 B14R1.566 COC1=C(C(=C(C(=C1)C=O)Cl)OC)O Z1269180272 [0,2,0,0,0,0|2,0,0]=4 109 B14R1.576 CCC1=C(C(=CC(=C1)OC)OC)C=O Z1511766097 [0,2,0,0,0,0|1,0,0]=3 110 B14R1.576 CNC1=CC(=C(C(=C1)OC)OC)OC Z335258860 [0,2,0,0,0,0|1,0,0]=3 111 B14R1.576 COC1=CC(=C(C(=C1)CCl)C=O)OC Z1269227503 [0,2,0,0,0,0|2,0,0]=4 112 B14R1.576 COC1=CC(=C(C(=C1)OC)C=O)OC Z56899127 [0,2,0,0,0,0|0,0,0]=2 113 B14R1.576 COC1=CC(=C(C(=C1)OC)CN)OC Z389861018 [0,2,0,0,0,0|0,0,0]=2 114 B14R1.576 COC1=CC(=C(C(=C1)OC)OC)C=O Z1198233599 [0,2,0,0,0,0|2,0,0]=4 115 B14R1.576 COC1=CC(=CC(=C1OC)OC)C#N Z57899732 [0,2,0,0,0,0|2,0,0]=4 116 B14R1.576 COC1=CC(=CC(=C1OC)OC)C=O Z104472688 [0,2,0,0,0,0|2,0,0]=4 117 B14R1.576 COC1=CC(=CC(=C1OC)OC)CN Z90120418 [0,2,0,0,0,0|2,0,0]=4 118 B14R2.1101 COC1=C2OCOC2=CC(=C1)C=O Z57032589 [0,1,0,1,0,0|2,0,0]=4 119 B14R2.1101 COC1=CC2=C(NC=C2)C(=C1)OC Z1198147559 [0,1,0,1,0,0|1,0,1]=4 120 B12R1.78 C#CC1=CC(=C(C=C1)OC)OC Z1080385494 [0,0,0,0,1,1|1,0,1]=4 121 B12R1.78 CNC1=C(C=C(C=C1)OC)OC Z335256774 [0,0,0,0,1,1|1,0,0]=3 122 B12R1.78 CNC1=C(C=CC(=C1)OC)OC Z335266076 [0,0,0,0,1,1|1,0,0]=3 123 B12R1.78 CNC1=CC(=C(C=C1)OC)OC Z1259341013 [0,0,0,0,1,1|1,0,0]=3 124 B12R1.78 COC1=C(C=C(C=C1)C#N)OC Z54604503 [0,0,0,0,1,1|2,0,0]=4 125 B12R1.78 COC1=C(C=C(C=C1)C=O)OC Z53837671 [0,0,0,0,1,1|2,0,0]=4 126 B12R1.78 COC1=C(C=C(C=C1)CO)OC Z104477212 [0,0,0,0,1,1|2,0,0]=4 127 B12R1.78 COC1=C(N=CC(=C1)C=O)OC Z1201625962 [0,0,0,0,1,1|2,0,0]=4 128 B12R1.78 COC1=CC(=C(C=C1)C=O)OC Z57772445 [0,0,0,0,1,1|2,0,0]=4 129 B12R1.78 COC1=CC(=C(C=C1)CN)OC Z239626460 [0,0,0,0,1,1|2,0,0]=4 130 B12R1.78 COC1=CC(=C(C=C1)OC)C#N Z56995180 [0,0,0,0,1,1|2,0,0]=4 131 B12R1.78 COC1=CC(=C(C=C1)OC)CBr Z96091884 [0,0,0,0,1,1|2,0,0]=4 132 B12R1.78 COC1=CC(=C(C=C1)OC)CN Z285139178 [0,0,0,0,1,1|2,0,0]=4 133 B12R1.78 COC1=CC(=C(C=C1)OC)CO Z104509944 [0,0,0,0,1,1|2,0,0]=4 134 B12R1.78 COC1=CC(=C(N=C1)C#N)OC Z1255418789 [0,0,0,0,1,1|2,0,0]=4 135 B12R1.78 COC1=CC(=NC=C1C=O)OC Z1255453349 [0,0,0,0,1,1|2,0,0]=4 136 B12R1.78 COC1=CC(=NC=C1CO)OC Z1862017631 [0,0,0,0,1,1|2,0,0]=4