0 B12R1.385 CCCCC1=CC(=C(C=C1)C)N MCULE-5468493323 [0,0,0,0,0,0|4,0,0]=4 1 B12R1.385 CCCCC1=CC(=C(C=C1)N)C MCULE-6428265464 [0,0,0,0,0,0|4,0,0]=4 2 B12R1.385 CCCCC1=CC(=C(C=C1)N)I MCULE-2678322650 [0,0,0,0,0,0|4,0,0]=4 3 B12R1.385 CCCCC1=CC(=C(C=C1)O)C MCULE-4983814166 [0,0,0,0,0,0|3,0,1]=4 4 B12R1.385 CCCCC1=CC=C(C(=C1)Br)Br MCULE-7654935029 [0,0,0,0,0,0|4,0,0]=4 5 B12R1.385 CCCCC1=CC=C(C(=C1)Br)F MCULE-1390097693 [0,0,0,0,0,0|4,0,0]=4 6 B12R1.385 CCCCC1=CC=C(C(=C1)Br)N MCULE-4328421054 [0,0,0,0,0,0|4,0,0]=4 7 B12R1.385 CCCCC1=CC=C(C(=C1)C)I MCULE-2655824345 [0,0,0,0,0,0|4,0,0]=4 8 B12R1.385 CCCCC1=CC=C(C(=C1)Cl)F MCULE-3196256338 [0,0,0,0,0,0|4,0,0]=4 9 B12R1.385 CCCCC1=CC=C(C(=C1)F)F MCULE-6194252010 [0,0,0,0,0,0|4,0,0]=4 10 B12R1.385 CCCCC1=CC=C(C(=C1)O)O MCULE-2126985528 [0,0,0,0,0,0|2,0,1]=3 11 B12R1.385 CCCCC1=NC(=C(C=N1)N)C MCULE-2915438540 [0,0,0,0,0,0|4,0,0]=4 12 B12R1.385 CCCCC1=NC=C(C(=C1)C)N MCULE-9801639942 [0,0,0,0,0,0|3,0,0]=3 13 B12R1.385 CCCNC1=NC=C(C(=C1)C)Br MCULE-7929492290 [0,0,0,0,0,0|4,0,0]=4 14 B12R1.385 CCCNC1=NN=C(C(=N1)O)C MCULE-9791399923 [0,0,0,0,0,0|3,0,1]=4 15 B12R1.385 CCCOC1=CC(=C(C=N1)Br)C MCULE-5927654382 [0,0,0,0,0,0|4,0,0]=4 16 B12R1.385 CCCOC1=NC=C(C(=C1)C)N MCULE-5648455534 [0,0,0,0,0,0|4,0,0]=4 17 B12R1.385 CCNCC1=CC=C(C(=C1)O)O MCULE-2444208249 [0,0,0,0,0,0|3,0,1]=4 18 B12R1.385 CCNCC1=CC=C(C(=C1)O)O MCULE-7221938574 [0,0,0,0,0,0|3,0,1]=4 19 B12R1.385 CNCCC1=CC(=C(C=C1)O)O MCULE-2761874571 [0,0,0,0,0,0|3,0,1]=4 20 B12R1.385 CNCCC1=CC(=C(C=C1)O)O MCULE-7462354456 [0,0,0,0,0,0|3,0,1]=4 21 B12R1.385 NCCCC1=CC(=C(C=C1)O)O MCULE-7324513174 [0,0,0,0,0,0|3,0,1]=4 22 B12R1.385 NCCCC1=CC=C(C(=C1)O)O MCULE-5502362171 [0,0,0,0,0,0|3,0,1]=4 23 B11R1.1 CCCCC1=CC=C(C=C1)Br MCULE-5085143125 [1,0,0,0,0,0|3,0,0]=4 24 B11R1.1 CCCCC1=CC=C(C=C1)C MCULE-9857515677 [1,0,0,0,0,0|3,0,0]=4 25 B11R1.1 CCCCC1=CC=C(C=C1)Cl MCULE-1290195292 [1,0,0,0,0,0|3,0,0]=4 26 B11R1.1 CCCCC1=CC=C(C=C1)I MCULE-7199270658 [1,0,0,0,0,0|3,0,0]=4 27 B11R1.1 CCCCC1=CC=C(C=C1)N MCULE-7883402757 [1,0,0,0,0,0|3,0,0]=4 28 B11R1.1 CCCCC1=CC=C(C=C1)O MCULE-4727787995 [1,0,0,0,0,0|2,0,1]=4 29 B11R1.1 CCCCC1=CC=C(C=C1)S MCULE-3984375827 [1,0,0,0,0,0|2,1,0]=4 30 B11R1.1 CCCCC1=CN=C(C=C1)C MCULE-7865531586 [1,0,0,0,0,0|2,0,1]=4 31 B11R1.1 CCCCC1=CN=C(C=C1)Cl MCULE-4489111401 [1,0,0,0,0,0|2,0,1]=4 32 B11R1.1 CCCCC1=NN=C(C=C1)Cl MCULE-9597552076 [1,0,0,0,0,0|1,0,1]=3 33 B11R1.1 CCCCC1=NN=C(C=C1)N MCULE-2160512519 [1,0,0,0,0,0|1,0,1]=3 34 B11R1.1 CCCNC1=CC=C(N=N1)Cl MCULE-9762081110 [1,0,0,0,0,0|2,0,1]=4 35 B11R1.1 CCCNC1=NC=C(C=C1)Br MCULE-2959338293 [1,0,0,0,0,0|3,0,0]=4 36 B11R1.1 CCCOC1=CC=C(C=N1)N MCULE-8735847468 [1,0,0,0,0,0|3,0,0]=4 37 B11R1.1 CCCOC1=CC=C(C=N1)O MCULE-9728892576 [1,0,0,0,0,0|2,0,1]=4 38 B11R1.1 CCCOC1=CC=C(N=N1)Cl MCULE-6156484899 [1,0,0,0,0,0|2,0,1]=4 39 B11R1.1 CCCOC1=CC=C(N=N1)N MCULE-6170398332 [1,0,0,0,0,0|2,0,1]=4 40 B11R1.1 CCCOC1=NC=C(C=C1)Br MCULE-1105074152 [1,0,0,0,0,0|3,0,0]=4 41 B11R1.1 CCCOC1=NC=C(C=C1)Cl MCULE-8592812152 [1,0,0,0,0,0|3,0,0]=4 42 B11R1.1 CCCSC1=CC=C(N=N1)Cl MCULE-1278578727 [1,0,0,0,0,0|2,0,1]=4 43 B11R1.1 CCCSC1=NN=C(C=C1)N MCULE-1322398082 [1,0,0,0,0,0|2,0,1]=4 44 B11R1.1 COCCC1=NC=C(C=C1)Br MCULE-3400575809 [1,0,0,0,0,0|3,0,0]=4 45 B11R1.24 CC1=CC(=NC=C1)CCCN MCULE-8151219480 [1,0,0,0,0,0|3,0,0]=4 46 B11R1.24 CC1=CC(=NC=C1)CCCN MCULE-8970661466 [1,0,0,0,0,0|3,0,0]=4 47 B11R1.24 CCCCC1=CC(=CC=C1)Br MCULE-9137891039 [1,0,0,0,0,0|3,0,0]=4 48 B11R1.24 CCCCC1=CC(=CC=C1)O MCULE-4819192360 [1,0,0,0,0,0|2,0,0]=3 49 B11R1.24 CCCCC1=CC=CC(=C1)F MCULE-6025320702 [1,0,0,0,0,0|3,0,0]=4 50 B11R1.24 CCCCC1=CC=CC(=C1)I MCULE-3743014196 [1,0,0,0,0,0|3,0,0]=4 51 B11R1.24 CCCCC1=CC=CC(=C1)N MCULE-2806575789 [1,0,0,0,0,0|3,0,0]=4 52 B11R1.24 CCCCC1=NC=NC(=C1)Cl MCULE-5368888470 [1,0,0,0,0,0|3,0,0]=4 53 B11R1.24 CCCNC1=NC=CC(=C1)Br MCULE-5902509484 [1,0,0,0,0,0|3,0,0]=4 54 B11R1.24 CCCOC1=CC(=CC=C1)O MCULE-3921905681 [1,0,0,0,0,0|3,0,0]=4 55 B11R1.24 CCCOC1=NC=CC(=C1)Br MCULE-9189694965 [1,0,0,0,0,0|3,0,0]=4 56 B11R1.24 CCNCC1=CC=CC(=C1)O MCULE-3020598815 [1,0,0,0,0,0|3,0,0]=4 57 B11R1.24 CCOCC1=CC=CC(=C1)O MCULE-4004788239 [1,0,0,0,0,0|3,0,0]=4 58 B11R1.24 CNCCC1=CC(=CC=C1)O MCULE-8343939134 [1,0,0,0,0,0|3,0,0]=4 59 B11R1.24 CNCCC1=CC=CC(=C1)O MCULE-8424453452 [1,0,0,0,0,0|3,0,0]=4 60 B11R1.24 COCCC1=CC(=CC=C1)O MCULE-6149852856 [1,0,0,0,0,0|3,0,0]=4 61 B11R1.24 COCCC1=NC=CC(=C1)C MCULE-6677326916 [1,0,0,0,0,0|3,0,0]=4 62 B11R1.24 NC1=CC(=NC=C1)CCCO MCULE-6028001967 [1,0,0,0,0,0|3,0,0]=4 63 B11R1.24 NCCCC1=CC(=CC=C1)O MCULE-1485776386 [1,0,0,0,0,0|3,0,0]=4 64 B11R1.24 NCCCC1=CC(=CC=C1)O MCULE-3444012141 [1,0,0,0,0,0|3,0,0]=4 65 B11R1.24 NCCCC1=CC(=CC=C1)O MCULE-8308888784 [1,0,0,0,0,0|3,0,0]=4 66 B11R1.24 OCCCC1=CC(=CC=C1)O MCULE-5187970951 [1,0,0,0,0,0|3,0,0]=4 67 B11R1.192 CCCC1=CC=C(C(=C1)O)O MCULE-3343554301 [1,0,0,0,0,0|2,0,1]=4 68 B11R1.192 CCOC1=NC=C(C(=C1)O)Br MCULE-9002482723 [1,0,0,0,0,0|3,0,0]=4 69 B11R1.192 CCOC1=NC=C(C(=C1)O)Cl MCULE-7404042908 [1,0,0,0,0,0|3,0,0]=4 70 B13R1.466 CCCC(N)C1=CC=C(C(=C1)O)C MCULE-9457744388 [0,1,0,0,0,0|3,0,0]=4 71 B13R1.466 CCCC(N)C1=CC=C(C(=C1)O)F MCULE-6914963632 [0,1,0,0,0,0|3,0,0]=4 72 B13R1.466 CCCC(N)C1=CC=C(C(=C1)O)O MCULE-6727058846 [0,1,0,0,0,0|2,0,1]=4 73 B13R1.466 CCC[C@@H](N)C1=CC=C(C(=C1)O)C MCULE-3209960180 [0,1,0,0,0,0|3,0,0]=4 74 B13R1.466 CCC[C@@H](N)C1=CC=C(C(=C1)O)F MCULE-7749987555 [0,1,0,0,0,0|3,0,0]=4 75 B13R1.466 CCC[C@@H](N)C1=CC=C(C(=C1)O)O MCULE-3549842350 [0,1,0,0,0,0|2,0,1]=4 76 B13R1.466 CCC[C@@H](N)C1=CC=C(C(=C1)O)O MCULE-7635060024 [0,1,0,0,0,0|2,0,1]=4 77 B13R1.466 CCC[C@H](N)C1=CC=C(C(=C1)O)C MCULE-1018849708 [0,1,0,0,0,0|3,0,0]=4 78 B13R1.466 CCC[C@H](N)C1=CC=C(C(=C1)O)F MCULE-8205140013 [0,1,0,0,0,0|3,0,0]=4 79 B13R1.466 CCC[C@H](N)C1=CC=C(C(=C1)O)O MCULE-2079080800 [0,1,0,0,0,0|2,0,1]=4 80 B13R1.466 CCC[C@H](N)C1=CC=C(C(=C1)O)O MCULE-6039107142 [0,1,0,0,0,0|2,0,1]=4 81 B13R1.577 CCCOC1=CC(=C(C=C1)C=O)O MCULE-7506799034 [0,1,0,0,0,0|3,0,0]=4 82 B13R1.669 CCCCNC1=NC=C(C(=C1)C)Br MCULE-4096121878 [0,1,0,0,0,0|3,0,0]=4 83 B13R1.669 CCCCNC1=NN=C(C(=N1)O)C MCULE-6690087313 [0,1,0,0,0,0|2,0,1]=4 84 B13R1.669 CCCCOC1=NC=C(C(=C1)C)Br MCULE-2655618176 [0,1,0,0,0,0|3,0,0]=4 85 B13R1.669 CCCCSC1=NN=C(C(=N1)O)C MCULE-3126547411 [0,1,0,0,0,0|2,0,1]=4 86 B13R1.2879 COC(=O)CC1=NNC(=O)C(=C1)C MCULE-2726178928 [0,1,0,0,0,0|2,0,1]=4 87 B13R2.32 NC1=C(C=NC2=C1CCCC2)Br MCULE-6621427736 [0,0,0,1,0,0|3,0,0]=4 88 B13R2.32 NC1=C(C=NC2=C1CCCC2)Cl MCULE-5379308500 [0,0,0,1,0,0|3,0,0]=4 89 B13R2.32 OC1=C2CCCCC2=CC=C1Br MCULE-7057589255 [0,0,0,1,0,0|3,0,0]=4 90 B13R2.32 OC1=C2CNCCC2=NC=C1Br MCULE-7036423023 [0,0,0,1,0,0|3,0,0]=4 91 B13R2.32 OC1=C2CNCCC2=NC=C1Br MCULE-7110556713 [0,0,0,1,0,0|3,0,0]=4 92 B13R2.369 NC1=C(C=C2CCCCC2=C1)O MCULE-8143256114 [0,0,0,1,0,0|3,0,0]=4 93 B13R2.369 NC1=CC2=C(CCCC2)NC1=O MCULE-9248403184 [0,0,0,1,0,0|2,0,0]=3 94 B13R2.369 O=C1NC2=C(C=C1Br)CCCC2 MCULE-8858340213 [0,0,0,1,0,0|2,0,0]=3 95 B13R2.369 O=C1NC2=C(CCCC2)N=C1Br MCULE-7515307952 [0,0,0,1,0,0|3,0,0]=4 96 B13R2.1066 CC1=C(C=NC(=C1)C2CCC2)Br MCULE-8795457364 [0,0,0,1,0,0|3,0,0]=4 97 B11R1.212 CCCOC1=NNC(=O)N1C MCULE-8106712172 [0,0,0,0,1,0|3,0,0]=4 98 B11R1.231 CCCCC1=NC(=C(N1)Cl)Cl MCULE-8024376005 [0,0,0,0,1,0|3,0,0]=4 99 B11R1.231 CCCCN1C=C(C(=N1)C)I MCULE-8661938393 [0,0,0,0,1,0|3,0,0]=4 100 B11R1.231 CCCCN1C=C(C(=N1)N)Br MCULE-6111393539 [0,0,0,0,1,0|3,0,0]=4 101 B11R1.231 CCCCN1C=C(C(=N1)N)Cl MCULE-5609727869 [0,0,0,0,1,0|3,0,0]=4 102 B11R1.231 CCCCN1C=C(C(=N1)N)I MCULE-8601567404 [0,0,0,0,1,0|3,0,0]=4 103 B10R0.74 C=CC(=O)NCOCCCC MCULE-2564380457 [1,0,1,0,0,0|2,0,0]=4 104 B10R1.1 CCCC1=CC=C(C=N1)O MCULE-8004632813 [2,0,0,0,0,0|1,0,1]=4 105 B10R1.1 CCCC1=NC=C(C=C1)N MCULE-5383395904 [2,0,0,0,0,0|2,0,0]=4 106 B10R1.1 CCOC1=CNC(=O)C=C1 MCULE-7836656403 [2,0,0,0,0,0|2,0,0]=4 107 B10R1.1 CNCC1=CNC(=O)C=C1 MCULE-1592280030 [2,0,0,0,0,0|2,0,0]=4 108 B10R1.1 CNCC1=CNC(=O)C=C1 MCULE-5187910739 [2,0,0,0,0,0|2,0,0]=4 109 B10R1.1 N#CCC1=NNC(=O)C=C1 MCULE-4833115499 [2,0,0,0,0,0|1,0,1]=4 110 B10R1.1 NCCC1=CNC(=O)C=C1 MCULE-3915881137 [2,0,0,0,0,0|2,0,0]=4 111 B10R1.1 NCCC1=CNC(=O)C=C1 MCULE-8230680150 [2,0,0,0,0,0|2,0,0]=4 112 B10R1.17 BrCCCC1=NC=CC=C1 MCULE-6806860398 [2,0,0,0,0,0|2,0,0]=4 113 B10R1.17 CCCCC1=CC=CC=C1 MCULE-5613471292 [2,0,0,0,0,0|2,0,0]=4 114 B10R1.17 CCCCC1=CC=CC=N1 MCULE-5412139648 [2,0,0,0,0,0|1,0,0]=3 115 B10R1.17 CCCCC1=CC=CN=C1 MCULE-7670235006 [2,0,0,0,0,0|1,0,1]=4 116 B10R1.17 CCCCC1=NC=CC=C1 MCULE-3780595820 [2,0,0,0,0,0|1,0,0]=3 117 B10R1.17 CCCCC1=NN=CC=C1 MCULE-1880368687 [2,0,0,0,0,0|0,0,1]=3 118 B10R1.17 CCCOC1=NC=CC=C1 MCULE-6135946272 [2,0,0,0,0,0|2,0,0]=4 119 B10R1.17 CCCSC1=NC=CC=C1 MCULE-9100125041 [2,0,0,0,0,0|2,0,0]=4 120 B10R1.17 CCNCC1=NC=CC=C1 MCULE-1196248095 [2,0,0,0,0,0|2,0,0]=4 121 B10R1.17 CCNCC1=NC=CC=C1 MCULE-7695293340 [2,0,0,0,0,0|2,0,0]=4 122 B10R1.17 CCSCC1=NC=CC=C1 MCULE-2786972399 [2,0,0,0,0,0|2,0,0]=4 123 B10R1.17 CNCCC1=CC=CC=N1 MCULE-3511525116 [2,0,0,0,0,0|2,0,0]=4 124 B10R1.17 CNCCC1=CC=CC=N1 MCULE-5013046031 [2,0,0,0,0,0|2,0,0]=4 125 B10R1.17 CNCCC1=NC=CC=C1 MCULE-2088823050 [2,0,0,0,0,0|2,0,0]=4 126 B10R1.17 CNCCC1=NC=CC=C1 MCULE-3539516594 [2,0,0,0,0,0|2,0,0]=4 127 B10R1.17 COCCC1=NC=CC=C1 MCULE-1489007821 [2,0,0,0,0,0|2,0,0]=4 128 B10R1.17 NCCCC1=CC=CC=N1 MCULE-4356325701 [2,0,0,0,0,0|2,0,0]=4 129 B10R1.17 NCCCC1=NC=CC=C1 MCULE-1452720853 [2,0,0,0,0,0|2,0,0]=4 130 B10R1.17 OCCCC1=NC=CC=C1 MCULE-5814318049 [2,0,0,0,0,0|2,0,0]=4 131 B10R1.17 OCCCC1=NC=CC=C1 MCULE-8674015066 [2,0,0,0,0,0|2,0,0]=4 132 B10R1.10 CCCC1=CC(=CC=C1)O MCULE-7614144854 [2,0,0,0,0,0|2,0,0]=4 133 B10R1.10 CCCC1=CC(=CN=C1)O MCULE-4924875519 [2,0,0,0,0,0|1,0,1]=4 134 B10R1.10 CCCC1=NC=CC(=C1)Br MCULE-8517811232 [2,0,0,0,0,0|2,0,0]=4 135 B10R1.10 CCCC1=NC=CC(=C1)Cl MCULE-4320130725 [2,0,0,0,0,0|2,0,0]=4 136 B10R1.10 CCCC1=NC=CC(=C1)Cl MCULE-8791628933 [2,0,0,0,0,0|2,0,0]=4 137 B10R1.10 CCCC1=NC=CC(=C1)O MCULE-5960845540 [2,0,0,0,0,0|1,0,0]=3 138 B10R1.10 CCOC1=NC=CC(=C1)O MCULE-3639824894 [2,0,0,0,0,0|2,0,0]=4 139 B10R1.176 COC1=NNC(=O)C(=C1)Cl MCULE-5917000411 [2,0,0,0,0,0|2,0,0]=4 140 B12R1.1 CCCCCC1=CC=C(C=N1)O MCULE-8445153917 [1,1,0,0,0,0|1,0,1]=4 141 B12R1.1 CCCCNC1=NC=C(C=C1)Br MCULE-7824151160 [1,1,0,0,0,0|2,0,0]=4 142 B12R1.1 CCCCNC1=NN=C(C=C1)Cl MCULE-5948318496 [1,1,0,0,0,0|1,0,1]=4 143 B12R1.1 CCCCOC1=CC=C(N=N1)Cl MCULE-7788137546 [1,1,0,0,0,0|1,0,1]=4 144 B12R1.1 CCCCOC1=NC=C(C=C1)Br MCULE-2535904781 [1,1,0,0,0,0|2,0,0]=4 145 B12R1.1 CCCCOC1=NC=C(C=C1)N MCULE-4590305039 [1,1,0,0,0,0|2,0,0]=4 146 B12R1.1 CCCCOC1=NNC(=S)C=C1 MCULE-5338244614 [1,1,0,0,0,0|0,1,0]=3 147 B12R1.16 CCC[C@@H](N)C1=NC=C(C=C1)Br MCULE-1008340439 [1,1,0,0,0,0|2,0,0]=4 148 B12R1.16 CCC[C@@H](N)C1=NC=C(C=C1)Br MCULE-3767160815 [1,1,0,0,0,0|2,0,0]=4 149 B12R1.16 CCC[C@H](N)C1=CC=C(C=N1)Br MCULE-8168489875 [1,1,0,0,0,0|2,0,0]=4 150 B12R1.16 CCC[C@H](N)C1=NC=C(C=C1)Br MCULE-9384731659 [1,1,0,0,0,0|2,0,0]=4 151 B12R1.16 CCOC(=O)C1=NNC(=O)C=C1 MCULE-2363414707 [1,1,0,0,0,0|1,0,1]=4 152 B12R1.21 O=C(O)CCC1=NNC(=O)C=C1 MCULE-5907904139 [1,1,0,0,0,0|1,0,1]=4 153 B12R1.69 CCCCN1C=CC(=O)NC1=O MCULE-3669207438 [1,1,0,0,0,0|2,0,0]=4 154 B12R1.69 CCCSC1=NNC(=O)NC1=O MCULE-2211489620 [1,1,0,0,0,0|2,0,0]=4 155 B12R1.71 CCCCC1=CC=C(C=C1)C=O MCULE-5968568425 [1,1,0,0,0,0|2,0,0]=4 156 B12R1.71 CCCCC1=NC=C(C=C1)C=O MCULE-3935670649 [1,1,0,0,0,0|1,0,0]=3 157 B12R1.71 CCCCC1=NC=C(C=N1)C=O MCULE-3156821918 [1,1,0,0,0,0|2,0,0]=4 158 B12R1.17 CCCC(N)C1=CC(=CC=C1)O MCULE-2096668988 [1,1,0,0,0,0|2,0,0]=4 159 B12R1.17 CCC[C@@H](N)C1=CC(=CC=C1)O MCULE-5923315955 [1,1,0,0,0,0|2,0,0]=4 160 B12R1.17 CCC[C@@H](N)C1=CC(=CC=C1)O MCULE-6712998966 [1,1,0,0,0,0|2,0,0]=4 161 B12R1.17 CCC[C@H](N)C1=CC(=CC=C1)O MCULE-4095176573 [1,1,0,0,0,0|2,0,0]=4 162 B12R1.17 CCC[C@H](N)C1=CC(=CC=C1)O MCULE-9164255667 [1,1,0,0,0,0|2,0,0]=4 163 B12R1.28 CCCCCC1=CC=CC(=C1)O MCULE-1153309638 [1,1,0,0,0,0|2,0,0]=4 164 B12R1.28 CCCCNC1=NN=CC(=N1)O MCULE-7285440116 [1,1,0,0,0,0|1,0,1]=4 165 B12R1.28 CCCCOC1=CC=CC(=C1)O MCULE-1564102323 [1,1,0,0,0,0|2,0,0]=4 166 B12R1.28 CCCCOC1=NC=CC(=C1)Cl MCULE-1684850097 [1,1,0,0,0,0|2,0,0]=4 167 B12R1.28 CCCCOC1=NC=CC(=C1)N MCULE-7374050896 [1,1,0,0,0,0|2,0,0]=4 168 B12R1.28 CCCNCC1=CC(=CC=C1)O MCULE-6347614449 [1,1,0,0,0,0|2,0,0]=4 169 B12R1.28 CCCNCC1=CC(=CC=C1)O MCULE-7701516326 [1,1,0,0,0,0|2,0,0]=4 170 B12R1.100 CCCCC1=CC(=CC(=C1)O)O MCULE-6668456831 [1,1,0,0,0,0|2,0,0]=4 171 B12R1.100 CCCCC1=CC(=NC(=N1)O)O MCULE-7109908027 [1,1,0,0,0,0|2,0,0]=4 172 B12R1.226 CC(C)CCC1=CC(=CC=C1)O MCULE-4370229903 [1,1,0,0,0,0|2,0,0]=4 173 B12R1.226 CC(O)CCC1=CC(=CC=C1)O MCULE-3666157410 [1,1,0,0,0,0|2,0,0]=4 174 B12R1.374 CCCCC1=C(C=CC(=C1)O)O MCULE-5361667287 [1,1,0,0,0,0|2,0,0]=4 175 B12R1.336 CCCCC1=NOC(=C1CO)C MCULE-8652471262 [0,1,0,0,1,0|2,0,0]=4 176 B12R1.527 CCCCOC1=C(C(=O)NS1)O MCULE-6865345584 [0,1,0,0,1,0|1,0,0]=3 177 B12R1.380 CCCCC1=NC(=C(N1)C=O)Cl MCULE-5561646907 [0,1,0,0,1,0|2,0,0]=4 178 B12R1.380 CCCCC1=NC(=C(N1)Cl)CO MCULE-2007189709 [0,1,0,0,1,0|2,0,0]=4 179 B12R1.380 CCCCC1=NC(=C(N1)I)CO MCULE-7461201350 [0,1,0,0,1,0|2,0,0]=4 180 B12R1.337 CCCCC1=NNC(=C1)C(=O)O MCULE-3295355527 [0,0,1,1,0,0|2,0,0]=4 181 B12R2.24 BrC1=CC2=C(CCCC2)N=C1 MCULE-5412787813 [1,0,0,1,0,0|2,0,0]=4 182 B12R2.24 CC1=CC2=C(CCCC2)N=C1 MCULE-6043351041 [1,0,0,1,0,0|2,0,0]=4 183 B12R2.24 ClC1=CC2=C(CCCC2)N=C1 MCULE-7600699062 [1,0,0,1,0,0|2,0,0]=4 184 B12R2.24 ClC1=NN=C2CCCCC2=C1 MCULE-2659058737 [1,0,0,1,0,0|1,0,1]=4 185 B12R2.24 NC1=CC2=C(CCCC2)N=C1 MCULE-1041422034 [1,0,0,1,0,0|2,0,0]=4 186 B12R2.24 O=C1C=C2CCCCC2=CN1 MCULE-7407227676 [1,0,0,1,0,0|1,0,0]=3 187 B12R2.24 O=C1C=C2CCCCC2=NN1 MCULE-5881043480 [1,0,0,1,0,0|0,0,0]=2 188 B12R2.24 O=C1C=C2CCCCC2=NN1 MCULE-7308350024 [1,0,0,1,0,0|0,0,0]=2 189 B12R2.24 O=C1C=C2CCNCC2=NN1 MCULE-4001828613 [1,0,0,1,0,0|1,0,0]=3 190 B12R2.24 O=C1C=C2CCNCC2=NN1 MCULE-4116891531 [1,0,0,1,0,0|1,0,0]=3 191 B12R2.24 O=C1C=C2CCOCC2=NN1 MCULE-5634306719 [1,0,0,1,0,0|1,0,0]=3 192 B12R2.24 O=C1C=C2CNCCC2=NN1 MCULE-7905722081 [1,0,0,1,0,0|1,0,0]=3 193 B12R2.24 O=C1C=C2COCCC2=NN1 MCULE-2391181162 [1,0,0,1,0,0|1,0,0]=3 194 B12R2.24 O=C1C=C2CSCCC2=NN1 MCULE-7103458904 [1,0,0,1,0,0|1,0,0]=3 195 B12R2.24 O=C1C=CC2=C(N1)CCCC2 MCULE-4143777235 [1,0,0,1,0,0|1,0,0]=3 196 B12R2.24 O=C1C=CC2=C(N1)CCNC2 MCULE-6226618597 [1,0,0,1,0,0|2,0,0]=4 197 B12R2.24 O=C1C=CC2=C(N1)CCNC2 MCULE-6943970189 [1,0,0,1,0,0|2,0,0]=4 198 B12R2.24 O=C1C=CC2=C(O1)CCCC2 MCULE-2210845883 [1,0,0,1,0,0|2,0,0]=4 199 B12R2.24 O=C1N=CC2=C(N1)CCCC2 MCULE-1177214182 [1,0,0,1,0,0|2,0,0]=4 200 B12R2.24 OC1=CN=C2CCCCC2=C1 MCULE-8005932820 [1,0,0,1,0,0|1,0,1]=4 201 B12R2.2302 BrC1=CN=C(C=C1)C2CCC2 MCULE-2404181116 [1,0,0,1,0,0|2,0,0]=4 202 B12R2.2302 ClC1=NN=C(C=C1)C2CCC2 MCULE-5293135912 [1,0,0,1,0,0|1,0,1]=4 203 B12R2.2302 NC1=CN=C(C=C1)C2CCC2 MCULE-6516812861 [1,0,0,1,0,0|2,0,0]=4 204 B12R2.2302 O=C1C=CC(=NN1)C2CCC2 MCULE-8347127546 [1,0,0,1,0,0|0,0,0]=2 205 B12R2.1081 BrC1=C2CCCCC2=NC=C1 MCULE-2580814943 [1,0,0,1,0,0|2,0,0]=4 206 B12R2.1081 CC1=CC=NC2=C1CCCC2 MCULE-2758407128 [1,0,0,1,0,0|2,0,0]=4 207 B12R2.1081 CC1=CC=NC2=C1CCCC2 MCULE-9684512782 [1,0,0,1,0,0|2,0,0]=4 208 B12R2.1081 ClC1=C2CCCCC2=NC=C1 MCULE-2063381814 [1,0,0,1,0,0|2,0,0]=4 209 B12R2.1081 NC1=C2CCCCC2=NC=C1 MCULE-1995252272 [1,0,0,1,0,0|2,0,0]=4 210 B12R2.1081 OC1=C2CCCCC2=CC=C1 MCULE-8152026704 [1,0,0,1,0,0|2,0,0]=4 211 B12R2.1081 OC1=C2CNCCC2=NC=C1 MCULE-2061814668 [1,0,0,1,0,0|2,0,0]=4 212 B12R2.1081 OC1=C2CNCCC2=NC=C1 MCULE-7580881481 [1,0,0,1,0,0|2,0,0]=4 213 B12R2.1081 OC1=C2CNCCC2=NC=C1 MCULE-8223384430 [1,0,0,1,0,0|2,0,0]=4 214 B12R2.1081 OC1=C2OCCCC2=NC=C1 MCULE-3614687226 [1,0,0,1,0,0|2,0,0]=4 215 B12R2.1081 OC1=CC=NC2=C1CCCC2 MCULE-7596022873 [1,0,0,1,0,0|1,0,0]=3 216 B12R2.1081 OC1=CC=NC2=C1CCNC2 MCULE-9577135919 [1,0,0,1,0,0|2,0,0]=4 217 B12R2.1286 OC1=NC=NC(=C1)CC2CC2 MCULE-5369986003 [1,0,0,1,0,0|2,0,0]=4 218 B12R2.2313 BrC1=CC(=NC=C1)C2CCC2 MCULE-6530296694 [1,0,0,1,0,0|2,0,0]=4 219 B12R2.2313 NC1=CC=NC(=C1)C2CCC2 MCULE-1691280067 [1,0,0,1,0,0|2,0,0]=4 220 B12R2.2313 OC1=CC(=CC=C1)C2CCC2 MCULE-9423133725 [1,0,0,1,0,0|2,0,0]=4 221 B12R2.82 O=C1NN=C2CCCC2=C1Br MCULE-5332035628 [1,0,0,1,0,0|1,0,0]=3 222 B12R2.586 NC1=C2CCCCCC2=NN1 MCULE-1528662837 [0,0,0,1,1,0|2,0,0]=4 223 B12R2.6884 CN1C(=O)NN=C1C2CCC2 MCULE-4980872526 [0,0,0,1,1,0|2,0,0]=4 224 B14R2.203 N#CC1=C2CCCCC2=CNC1=O MCULE-6497300127 [0,1,0,1,0,0|2,0,0]=4 225 B14R2.203 NCC1=C2CCCCC2=NNC1=O MCULE-1847427657 [0,1,0,1,0,0|1,0,0]=3 226 B14R2.203 NCC1=C2CCCCC2=NNC1=O MCULE-9712807909 [0,1,0,1,0,0|1,0,0]=3 227 B14R2.1128 N#CC1=CC2=C(CCCC2)NC1=O MCULE-4006802676 [0,1,0,1,0,0|2,0,0]=4 228 B14R2.1128 NCC1=CC2=C(CCCC2)NC1=O MCULE-5576987719 [0,1,0,1,0,0|2,0,0]=4 229 B10R1.16 CCCCC1=CC=C(S1)Br MCULE-1591777410 [1,0,0,0,1,0|2,0,0]=4 230 B10R1.16 CCCCC1=NC=C(N1)Cl MCULE-1359966925 [1,0,0,0,1,0|2,0,0]=4 231 B10R1.16 CCCCC1=NNC(=C1)N MCULE-5522261916 [1,0,0,0,1,0|1,0,0]=3 232 B10R1.16 CCCCC1=NNC(=N1)N MCULE-9013902690 [1,0,0,0,1,0|2,0,0]=4 233 B10R1.16 CCCCC1=NNC(=S)O1 MCULE-2133925210 [1,0,0,0,1,0|1,1,0]=4 234 B10R1.16 CCCCN1C=CC(=N1)C MCULE-8645456565 [1,0,0,0,1,0|2,0,0]=4 235 B10R1.16 CCCCN1C=CC(=N1)N MCULE-4356593322 [1,0,0,0,1,0|2,0,0]=4 236 B10R1.16 COCCC1=NNC(=C1)N MCULE-5317865366 [1,0,0,0,1,0|2,0,0]=4 237 B10R1.16 NCCCC1=NNC(=O)C1 MCULE-3428014489 [1,0,0,0,1,0|1,0,1]=4 238 B10R1.29 CCCOC1=NNC=C1Br MCULE-4014164305 [1,0,0,0,1,0|2,0,0]=4 239 B10R1.94 CCCC1=C(C(=O)CC1)O MCULE-2996179116 [1,0,0,0,1,0|2,0,0]=4 240 B10R1.94 CCCC1=NNC(=O)C1C MCULE-2412089625 [1,0,0,0,1,0|1,0,1]=4