0 B10R1.28 CC(C)(O)C1CCNCC1 MCULE-4857724376 [0,0,0,0,0,0|2,0,2]=4 1 B10R1.28 CC(C)(O)C1CCNCC1 MCULE-6109416720 [0,0,0,0,0,0|2,0,2]=4 2 B10R1.28 CP(=O)(O)C1=CCNCC1 MCULE-4086960639 [0,0,0,0,0,0|0,0,0]=0 3 B10R1.28 CS(=N)(=O)N1CCNCC1 MCULE-7118757777 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.28 CS(=O)(=O)C1CCNCC1 MCULE-8178040028 [0,0,0,0,0,0|1,0,3]=4 5 B10R1.28 CS(=O)(=O)C1CCNCC1 MCULE-9215123618 [0,0,0,0,0,0|1,0,3]=4 6 B10R1.28 CS(=O)(=O)N1CCNCC1 MCULE-3172951325 [0,0,0,0,0,0|2,0,2]=4 7 B10R1.28 CS(=O)(=O)N1CCNCC1 MCULE-6275374802 [0,0,0,0,0,0|2,0,2]=4 8 B10R1.28 CS(=O)(=O)N1CCNCC1 MCULE-6672541916 [0,0,0,0,0,0|2,0,2]=4 9 B10R1.28 C[Si](C)(O)C1=CCCCO1 MCULE-6555053347 [0,0,0,0,0,0|4,0,0]=4 10 B10R1.28 FC(F)(F)C1=CCNCC1 MCULE-1919280480 [0,0,0,0,0,0|4,0,0]=4 11 B10R1.28 FC(F)(F)C1=CCNCC1 MCULE-6752647498 [0,0,0,0,0,0|4,0,0]=4 12 B10R1.28 O=P(O)(O)C1CCCCC1 MCULE-5721503179 [0,0,0,0,0,0|2,0,2]=4 13 B10R1.28 O=S(=O)(Cl)C1=CCCCC1 MCULE-5028283962 [0,0,0,0,0,0|3,0,1]=4 14 B10R1.28 O=S(=O)(O)C1CCNCC1 MCULE-8375087442 [0,0,0,0,0,0|2,0,2]=4 15 B9R1.6 CC(=C1CCNCC1)C MCULE-5535740851 [1,0,0,0,0,0|2,0,1]=4 16 B9R1.6 CC(=O)C1=CCCCC1 MCULE-9958324589 [1,0,0,0,0,0|2,0,0]=3 17 B9R1.6 CC(=O)C1=NCCCC1 MCULE-8103583007 [1,0,0,0,0,0|3,0,0]=4 18 B9R1.6 CC(=O)C1=NCCCC1 MCULE-8275418154 [1,0,0,0,0,0|3,0,0]=4 19 B9R1.6 CC(=O)C1CCNCC1 MCULE-5629644359 [1,0,0,0,0,0|1,0,2]=4 20 B9R1.6 CC(=O)C1CCNCC1 MCULE-7994490746 [1,0,0,0,0,0|1,0,2]=4 21 B9R1.6 CC(=O)N1CCNCC1 MCULE-6090938298 [1,0,0,0,0,0|2,0,1]=4 22 B9R1.6 CC(=O)N1CCNCC1 MCULE-6273641444 [1,0,0,0,0,0|2,0,1]=4 23 B9R1.6 CC(N)C1=CCCCC1 MCULE-5707046388 [1,0,0,0,0,0|3,0,0]=4 24 B9R1.6 CC(N)C1=CCCCC1 MCULE-8715470831 [1,0,0,0,0,0|3,0,0]=4 25 B9R1.6 CC(O)C1=CCCOC1 MCULE-6412552042 [1,0,0,0,0,0|3,0,0]=4 26 B9R1.6 CC(O)C1CCNCC1 MCULE-4584203332 [1,0,0,0,0,0|1,0,2]=4 27 B9R1.6 CC(O)C1CCNCC1 MCULE-5499145407 [1,0,0,0,0,0|1,0,2]=4 28 B9R1.6 CC(O)C1CCNCC1 MCULE-6172957789 [1,0,0,0,0,0|1,0,2]=4 29 B9R1.6 CC(O)C1CCNCC1 MCULE-9287143291 [1,0,0,0,0,0|1,0,2]=4 30 B9R1.6 C[C@@H](O)C1CCNCC1 MCULE-1752623068 [1,0,0,0,0,0|1,0,2]=4 31 B9R1.6 C[C@@H](O)C1CCNCC1 MCULE-2316047131 [1,0,0,0,0,0|1,0,2]=4 32 B9R1.6 C[C@@H](O)C1CCNCC1 MCULE-9451593770 [1,0,0,0,0,0|1,0,2]=4 33 B9R1.6 C[C@H](O)C1CCNCC1 MCULE-2198012011 [1,0,0,0,0,0|1,0,2]=4 34 B9R1.6 C[C@H](O)C1CCNCC1 MCULE-7131345979 [1,0,0,0,0,0|1,0,2]=4 35 B9R1.6 O=C(Cl)C1=CCCCC1 MCULE-8228686007 [1,0,0,0,0,0|3,0,0]=4 36 B9R1.6 O=C(Cl)C1=CCOCC1 MCULE-9144118947 [1,0,0,0,0,0|3,0,0]=4 37 B9R1.6 O=C(O)C1=CCCCC1 MCULE-1482472372 [1,0,0,0,0,0|2,0,0]=3 38 B9R1.6 O=C(O)C1=CCCCO1 MCULE-8158964792 [1,0,0,0,0,0|3,0,0]=4 39 B9R1.6 O=C(O)C1=CCCNC1 MCULE-7878143035 [1,0,0,0,0,0|3,0,0]=4 40 B9R1.6 O=C(O)C1=CCCNC1 MCULE-9382105537 [1,0,0,0,0,0|3,0,0]=4 41 B9R1.6 O=C(O)C1=CCCOC1 MCULE-4597846034 [1,0,0,0,0,0|3,0,0]=4 42 B9R1.6 O=C(O)C1=CCCSC1 MCULE-6991730217 [1,0,0,0,0,0|3,0,0]=4 43 B9R1.6 O=C(O)C1=CCNCC1 MCULE-7813592729 [1,0,0,0,0,0|1,0,0]=2 44 B9R1.6 O=C(O)C1=CCNCC1 MCULE-9446043448 [1,0,0,0,0,0|1,0,0]=2 45 B9R1.6 O=C(O)C1=CCOCC1 MCULE-8602474600 [1,0,0,0,0,0|2,0,0]=3 46 B9R1.6 O=C(O)C1=COCCC1 MCULE-4203786677 [1,0,0,0,0,0|3,0,0]=4 47 B9R1.6 O=C(O)C1CCNCC1 MCULE-5699874022 [1,0,0,0,0,0|1,0,2]=4 48 B9R1.6 O=C(O)C1CCNCC1 MCULE-7477545245 [1,0,0,0,0,0|1,0,2]=4 49 B9R1.6 O=C(O)N1CCNCC1 MCULE-3508385346 [1,0,0,0,0,0|2,0,1]=4 50 B9R1.6 O=N(=O)C1=CCCCC1 MCULE-3902997389 [1,0,0,0,0,0|1,1,1]=4 51 B9R1.6 OB(O)C1=CCCCC1 MCULE-8745726253 [1,0,0,0,0,0|2,0,1]=4 52 B9R1.6 OB(O)C1=CCNCC1 MCULE-1854893784 [1,0,0,0,0,0|1,0,1]=3 53 B9R1.6 OB(O)C1=CCOCC1 MCULE-2818207662 [1,0,0,0,0,0|2,0,1]=4 54 B9R1.6 OB(O)C1=CCSCC1 MCULE-8736552797 [1,0,0,0,0,0|2,0,1]=4 55 B11R1.7 CC(C)(CO)C1=CCNCC1 MCULE-7857728831 [0,1,0,0,0,0|2,0,0]=3 56 B11R1.7 CC(C)(CO)C1=CCNCC1 MCULE-8346589619 [0,1,0,0,0,0|2,0,0]=3 57 B11R1.87 CC(C)(O)C1=C(CCCC1)Br MCULE-6760506963 [0,1,0,0,0,0|3,0,0]=4 58 B9R0.38 CCCCNCP(=O)(C)O MCULE-4370254909 [0,0,1,0,0,0|2,0,1]=4 59 B9R1.19 C1(CCNC1)C(C)(C)O MCULE-2335808122 [0,0,0,0,1,0|2,0,1]=4 60 B9R1.19 C1(CCNC1)S(=O)(=O)C MCULE-2262553974 [0,0,0,0,1,0|1,0,2]=4 61 B9R1.19 C1(CCNC1)S(=O)(=O)C MCULE-7002693105 [0,0,0,0,1,0|1,0,2]=4 62 B9R1.19 CC(C)(O)C1CCNC1 MCULE-6641993906 [0,0,0,0,1,0|2,0,1]=4 63 B9R1.19 CC(C)(O)C1CCNC1 MCULE-7962965541 [0,0,0,0,1,0|2,0,1]=4 64 B9R1.19 CC(C)(O)[C@@H]1CCNC1 MCULE-2734899119 [0,0,0,0,1,0|2,0,1]=4 65 B9R1.19 CC(C)(O)[C@@H]1CCNC1 MCULE-4295897789 [0,0,0,0,1,0|2,0,1]=4 66 B9R1.19 CC(C)(O)[C@@H]1CCNC1 MCULE-7600351767 [0,0,0,0,1,0|2,0,1]=4 67 B9R1.19 CC(C)(O)[C@@H]1CCNC1 MCULE-9314777744 [0,0,0,0,1,0|2,0,1]=4 68 B9R1.19 CC(C)(O)[C@H]1CCNC1 MCULE-3360210192 [0,0,0,0,1,0|2,0,1]=4 69 B9R1.19 CC(C)(O)[C@H]1CCNC1 MCULE-6542450494 [0,0,0,0,1,0|2,0,1]=4 70 B9R1.19 CC(C)(O)[C@H]1CCNC1 MCULE-6716834842 [0,0,0,0,1,0|2,0,1]=4 71 B9R1.19 CC(C)(O)[C@H]1CCNC1 MCULE-9327175954 [0,0,0,0,1,0|2,0,1]=4 72 B9R1.19 CS(=O)(=O)C1CCNC1 MCULE-1178327423 [0,0,0,0,1,0|1,0,2]=4 73 B9R1.19 CS(=O)(=O)C1CCNC1 MCULE-6031307208 [0,0,0,0,1,0|1,0,2]=4 74 B9R1.19 CS(=O)(=O)[C@@H]1CCNC1 MCULE-2122039252 [0,0,0,0,1,0|1,0,2]=4 75 B9R1.19 CS(=O)(=O)[C@@H]1CCNC1 MCULE-2808858501 [0,0,0,0,1,0|1,0,2]=4 76 B9R1.19 CS(=O)(=O)[C@@H]1CCNC1 MCULE-8565684503 [0,0,0,0,1,0|1,0,2]=4 77 B9R1.19 CS(=O)(=O)[C@@H]1CCNC1 MCULE-9368369042 [0,0,0,0,1,0|1,0,2]=4 78 B9R1.19 CS(=O)(=O)[C@H]1CCNC1 MCULE-1249395098 [0,0,0,0,1,0|1,0,2]=4 79 B9R1.19 CS(=O)(=O)[C@H]1CCNC1 MCULE-1676947741 [0,0,0,0,1,0|1,0,2]=4 80 B9R1.19 CS(=O)(=O)[C@H]1CCNC1 MCULE-1897478396 [0,0,0,0,1,0|1,0,2]=4 81 B9R1.19 CS(=O)(=O)[C@H]1CCNC1 MCULE-6321703108 [0,0,0,0,1,0|1,0,2]=4 82 B9R1.19 O=P(O)(O)C1CCCN1 MCULE-1507527616 [0,0,0,0,1,0|2,0,1]=4 83 B9R1.19 O=P(O)(O)C1CCCN1 MCULE-9994872613 [0,0,0,0,1,0|2,0,1]=4 84 B11R1.509 CP(=O)(O)CN1CCCCC1 MCULE-4560988571 [0,0,0,0,0,1|2,0,1]=4 85 B8R0.8 CCC/C=C(\C)/C(=O)O MCULE-4080682767 [1,0,1,0,0,0|2,0,0]=4 86 B8R0.8 CCCC=C(C)C(=O)O MCULE-1072900673 [1,0,1,0,0,0|2,0,0]=4 87 B8R0.7 CCCC/C=C/C(=O)C MCULE-1532446839 [1,0,1,0,0,0|2,0,0]=4 88 B8R0.7 CCCC/C=C/C(=O)O MCULE-6916224344 [1,0,1,0,0,0|2,0,0]=4 89 B8R0.7 CCCCC=CC(=O)C MCULE-6026245958 [1,0,1,0,0,0|2,0,0]=4 90 B8R0.7 CCCCC=CC(=O)O MCULE-6837768730 [1,0,1,0,0,0|2,0,0]=4 91 B8R1.2 COC1=CCCCC1 MCULE-9079372045 [2,0,0,0,0,0|2,0,0]=4 92 B8R1.2 COC1=CCOCC1 MCULE-8337045524 [2,0,0,0,0,0|2,0,0]=4 93 B8R1.2 N#CC1=CCNCC1 MCULE-2620119006 [2,0,0,0,0,0|2,0,0]=4 94 B8R1.2 N#CC1=CCNCC1 MCULE-3274888010 [2,0,0,0,0,0|2,0,0]=4 95 B8R1.2 O=CC1=CCCCC1 MCULE-6209420256 [2,0,0,0,0,0|2,0,0]=4 96 B8R1.2 OCC1=CCCCC1 MCULE-2422738199 [2,0,0,0,0,0|2,0,0]=4 97 B8R1.2 OCC1=CCOCC1 MCULE-6666473990 [2,0,0,0,0,0|2,0,0]=4 98 B10R1.13 CC(=O)C1=CCN(CC1)C MCULE-2033609377 [1,1,0,0,0,0|1,0,0]=3 99 B10R1.13 CC1CC=C(CC1)C(=O)O MCULE-7341526311 [1,1,0,0,0,0|2,0,0]=4 100 B10R1.13 CN1CC=C(CC1)B(O)O MCULE-2793182489 [1,1,0,0,0,0|1,0,1]=4 101 B10R1.13 NC1CC=C(CC1)C(=O)O MCULE-8027933659 [1,1,0,0,0,0|2,0,0]=4 102 B10R1.15 COC(=O)C1=CCCCC1 MCULE-3153400458 [1,1,0,0,0,0|2,0,0]=4 103 B10R1.15 COC(=O)C1=CCNCC1 MCULE-3308640134 [1,1,0,0,0,0|1,0,0]=3 104 B10R1.15 COC(=O)C1=CCNCC1 MCULE-5623631465 [1,1,0,0,0,0|1,0,0]=3 105 B10R1.15 COC(=O)C1=CCOCC1 MCULE-5794532366 [1,1,0,0,0,0|2,0,0]=4 106 B10R1.61 CC(=O)C1=C(CCCC1)Br MCULE-1190071084 [1,1,0,0,0,0|2,0,0]=4 107 B10R1.61 CC(=O)C1=C(CCCC1)N MCULE-6911820459 [1,1,0,0,0,0|2,0,0]=4 108 B10R1.61 CC(O)C1=C(CCCC1)Br MCULE-8379126936 [1,1,0,0,0,0|2,0,0]=4 109 B10R1.61 CC1=C(CCCC1)C(=O)O MCULE-2899177590 [1,1,0,0,0,0|2,0,0]=4 110 B10R1.61 CC1CCCC=C1C(=O)O MCULE-2002913109 [1,1,0,0,0,0|2,0,0]=4 111 B10R1.61 NC1=C(CCCC1)C(=O)O MCULE-4360190675 [1,1,0,0,0,0|2,0,0]=4 112 B10R1.61 O=C(O)C1=C(CCCC1)Br MCULE-4432967237 [1,1,0,0,0,0|2,0,0]=4 113 B10R1.61 O=C(O)C1=C(CCCC1)Cl MCULE-4191246644 [1,1,0,0,0,0|2,0,0]=4 114 B10R1.113 O=C(O)C1=CC(CCC1)O MCULE-3053514968 [1,1,0,0,0,0|2,0,0]=4 115 B8R1.7 C1(CCNC1)C(=O)O MCULE-3210241958 [1,0,0,0,1,0|1,0,1]=4 116 B8R1.7 C1(CCNC1)C(=O)O MCULE-6517290754 [1,0,0,0,1,0|1,0,1]=4 117 B8R1.7 CC(=O)C1=CCCC1 MCULE-9623046872 [1,0,0,0,1,0|1,0,0]=3 118 B8R1.7 CC(=O)C1CCNC1 MCULE-2147779518 [1,0,0,0,1,0|1,0,1]=4 119 B8R1.7 CC(=O)C1CCNC1 MCULE-2964372059 [1,0,0,0,1,0|1,0,1]=4 120 B8R1.7 CC(O)C1CCNC1 MCULE-3316354505 [1,0,0,0,1,0|1,0,1]=4 121 B8R1.7 CC(O)C1CCNC1 MCULE-6188875194 [1,0,0,0,1,0|1,0,1]=4 122 B8R1.7 O=C(O)C1=CCCC1 MCULE-2928571993 [1,0,0,0,1,0|1,0,0]=3 123 B8R1.7 O=C(O)C1=CCCO1 MCULE-8380391200 [1,0,0,0,1,0|2,0,0]=4 124 B8R1.7 O=C(O)C1=CCCS1 MCULE-9231409703 [1,0,0,0,1,0|2,0,0]=4 125 B8R1.7 O=C(O)C1=CCNC1 MCULE-2391284266 [1,0,0,0,1,0|1,0,0]=3 126 B8R1.7 O=C(O)C1=CCNC1 MCULE-5725335930 [1,0,0,0,1,0|1,0,0]=3 127 B8R1.7 O=C(O)C1=CCOC1 MCULE-3209603870 [1,0,0,0,1,0|2,0,0]=4 128 B8R1.7 O=C(O)C1=CCSC1 MCULE-3187835692 [1,0,0,0,1,0|2,0,0]=4 129 B8R1.7 O=C(O)C1=COCC1 MCULE-7263072561 [1,0,0,0,1,0|2,0,0]=4 130 B8R1.7 O=C(O)C1=NCCC1 MCULE-2664768755 [1,0,0,0,1,0|2,0,0]=4 131 B8R1.7 O=C(O)C1CCNC1 MCULE-4976520029 [1,0,0,0,1,0|1,0,1]=4 132 B8R1.7 O=C(O)C1CCNC1 MCULE-5937045785 [1,0,0,0,1,0|1,0,1]=4 133 B8R1.7 O=C(O)C1CCNC1 MCULE-6983695276 [1,0,0,0,1,0|1,0,1]=4 134 B8R1.7 O=C(O)[C@@H]1CCNC1 MCULE-3068007507 [1,0,0,0,1,0|1,0,1]=4 135 B8R1.7 O=C(O)[C@@H]1CCNC1 MCULE-4477578687 [1,0,0,0,1,0|1,0,1]=4 136 B8R1.7 O=C(O)[C@@H]1CCNC1 MCULE-4524201006 [1,0,0,0,1,0|1,0,1]=4 137 B8R1.7 O=C(O)[C@@H]1CCNC1 MCULE-4868292658 [1,0,0,0,1,0|1,0,1]=4 138 B8R1.7 O=C(O)[C@H]1CCNC1 MCULE-2003400674 [1,0,0,0,1,0|1,0,1]=4 139 B8R1.7 O=C(O)[C@H]1CCNC1 MCULE-2851087395 [1,0,0,0,1,0|1,0,1]=4 140 B8R1.7 O=C(O)[C@H]1CCNC1 MCULE-7223432888 [1,0,0,0,1,0|1,0,1]=4 141 B8R1.7 O=C(O)[C@H]1CCNC1 MCULE-7610384670 [1,0,0,0,1,0|1,0,1]=4 142 B8R1.7 OB(O)C1=CCCC1 MCULE-9719215712 [1,0,0,0,1,0|1,0,1]=4 143 B10R1.18 CC(=O)CC1=CCCCC1 MCULE-7211325077 [1,0,0,0,0,1|2,0,0]=4 144 B10R1.18 O=C(O)C=C1CCNCC1 MCULE-2946232230 [1,0,0,0,0,1|1,0,1]=4 145 B10R1.18 O=C(O)C=C1CCNCC1 MCULE-9183556093 [1,0,0,0,0,1|1,0,1]=4 146 B10R1.18 O=C(O)CC1=CCCCC1 MCULE-9909477927 [1,0,0,0,0,1|2,0,0]=4 147 B10R1.18 O=C(O)CC1=CCOCC1 MCULE-9800538477 [1,0,0,0,0,1|2,0,0]=4 148 B10R1.348 O=C(O)C1=CCCCCC1 MCULE-5438079704 [1,0,0,0,0,1|2,0,0]=4 149 B10R1.348 O=C(O)C1=CCCOCC1 MCULE-6315041103 [1,0,0,0,0,1|2,0,0]=4