0 B9R1.27 CC1=CSC(=O)N1C=O MCULE-9038899963 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.27 CCC1=C(CNC1=O)C MCULE-5181429749 [0,0,0,0,0,0|3,0,1]=4 2 B9R1.27 CCC1=C(NC=C1C)C MCULE-3491644631 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.27 CCC1C(=O)CCC1=O MCULE-9997239659 [0,0,0,0,0,0|1,0,2]=3 4 B9R1.27 CCC1C(=O)NN=C1C MCULE-4536947183 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.27 CCN1C(=CN=C1C)Cl MCULE-1384120340 [0,0,0,0,0,0|3,0,0]=3 6 B9R1.27 CCN1C(=NN=C1S)N MCULE-2700531356 [0,0,0,0,0,0|3,1,0]=4 7 B9R1.27 CCN1C(=O)C=CC1=O MCULE-9216989340 [0,0,0,0,0,0|0,0,0]=0 8 B9R1.27 CCN1C(=O)CCC1=O MCULE-3955479682 [0,0,0,0,0,0|0,0,2]=2 9 B9R1.27 CCN1C(=O)CNC1=O MCULE-7012305681 [0,0,0,0,0,0|1,0,1]=2 10 B9R1.27 CCN1C(=O)CNC1=S MCULE-4101647203 [0,0,0,0,0,0|1,1,1]=3 11 B9R1.27 CCN1C(=O)COC1=S MCULE-8441116729 [0,0,0,0,0,0|1,1,1]=3 12 B9R1.27 CCN1C(=O)CSC1=S MCULE-7069138767 [0,0,0,0,0,0|1,1,1]=3 13 B9R1.27 CCN1C(=O)NN=C1C MCULE-1457027919 [0,0,0,0,0,0|3,0,0]=3 14 B9R1.27 CCN1C(=S)NN=C1C MCULE-9120886653 [0,0,0,0,0,0|3,1,0]=4 15 B9R1.27 N#CN1C(=O)CCC1=O MCULE-3098343266 [0,0,0,0,0,0|1,0,3]=4 16 B9R1.27 O=C1C=CC(=O)N1CO MCULE-9063303630 [0,0,0,0,0,0|1,0,0]=1 17 B9R1.27 O=C1CCC(=O)N1CO MCULE-2404690751 [0,0,0,0,0,0|1,0,2]=3 18 B8R1.11 C=CN1C=CC=C1C MCULE-6322835558 [1,0,0,0,0,0|1,0,2]=4 19 B8R1.11 CCC1=C(SC=C1)Br MCULE-6065514127 [1,0,0,0,0,0|3,0,0]=4 20 B8R1.11 CCC1=C(SC=C1)Cl MCULE-6157414652 [1,0,0,0,0,0|3,0,0]=4 21 B8R1.11 CCC1=C(SC=C1)N MCULE-4451604839 [1,0,0,0,0,0|3,0,0]=4 22 B8R1.11 CCC1=CC=CN1N MCULE-3219316456 [1,0,0,0,0,0|3,0,0]=4 23 B8R1.11 CCC1=CSC=C1Br MCULE-1301118926 [1,0,0,0,0,0|3,0,0]=4 24 B8R1.11 CCN1C=CN=C1Br MCULE-1274110254 [1,0,0,0,0,0|2,0,0]=3 25 B8R1.11 CCN1C=CN=C1Br MCULE-9017123039 [1,0,0,0,0,0|2,0,0]=3 26 B8R1.11 CCN1C=CN=C1C MCULE-5943654351 [1,0,0,0,0,0|2,0,0]=3 27 B8R1.11 CCN1C=CN=C1Cl MCULE-9748144212 [1,0,0,0,0,0|2,0,0]=3 28 B8R1.11 CCN1C=CN=C1N MCULE-3212193688 [1,0,0,0,0,0|2,0,0]=3 29 B8R1.11 CCN1C=CN=C1S MCULE-2490185112 [1,0,0,0,0,0|1,1,0]=3 30 B8R1.11 CCN1C=CNC1=O MCULE-8501991406 [1,0,0,0,0,0|1,0,0]=2 31 B8R1.11 CCN1C=CSC1=N MCULE-1692207080 [1,0,0,0,0,0|2,0,0]=3 32 B8R1.11 CCN1C=CSC1=[NH2+] MCULE-2182604989 [1,0,0,0,0,0|2,0,0]=3 33 B8R1.11 CCN1C=NC=C1Br MCULE-2316890689 [1,0,0,0,0,0|2,0,0]=3 34 B8R1.11 CCN1C=NC=C1C MCULE-5010495596 [1,0,0,0,0,0|2,0,0]=3 35 B8R1.11 CCN1C=NC=C1N MCULE-9864212110 [1,0,0,0,0,0|2,0,0]=3 36 B8R1.11 CCN1C=NN=C1N MCULE-7342108691 [1,0,0,0,0,0|3,0,0]=4 37 B8R1.11 CCN1C=NN=C1N MCULE-8110662600 [1,0,0,0,0,0|3,0,0]=4 38 B8R1.11 CCN1C=NN=C1S MCULE-4081198605 [1,0,0,0,0,0|2,1,0]=4 39 B8R1.11 CCN1CCCC1=O MCULE-7206309773 [1,0,0,0,0,0|0,0,3]=4 40 B8R1.11 CCN1CCCC1=O MCULE-7415495937 [1,0,0,0,0,0|0,0,3]=4 41 B8R1.11 CCN1CCNC1=O MCULE-8168665695 [1,0,0,0,0,0|1,0,2]=4 42 B8R1.11 CCN1CNCC1=O MCULE-2327338525 [1,0,0,0,0,0|1,0,2]=4 43 B8R1.11 CCN1N=CC=C1Br MCULE-7634952399 [1,0,0,0,0,0|2,0,0]=3 44 B8R1.11 CCN1N=CC=C1C MCULE-7029406332 [1,0,0,0,0,0|2,0,0]=3 45 B8R1.11 CCN1N=CC=C1Cl MCULE-4400959295 [1,0,0,0,0,0|2,0,0]=3 46 B8R1.11 CCN1N=CC=C1F MCULE-2790230181 [1,0,0,0,0,0|2,0,0]=3 47 B8R1.11 CCN1N=CC=C1I MCULE-7507084372 [1,0,0,0,0,0|2,0,0]=3 48 B8R1.11 CCN1N=CC=C1N MCULE-1134329761 [1,0,0,0,0,0|2,0,0]=3 49 B8R1.11 CCN1N=CC=C1O MCULE-9331211869 [1,0,0,0,0,0|1,0,1]=3 50 B8R1.11 CCN1N=CN=C1Br MCULE-7013239879 [1,0,0,0,0,0|3,0,0]=4 51 B8R1.11 CCN1N=CN=C1Cl MCULE-3246091716 [1,0,0,0,0,0|3,0,0]=4 52 B8R1.11 CCN1N=CN=C1N MCULE-3411588431 [1,0,0,0,0,0|3,0,0]=4 53 B8R1.11 CCN1N=CN=C1N MCULE-9397199264 [1,0,0,0,0,0|3,0,0]=4 54 B8R1.11 CCN1N=NC=C1N MCULE-4417840973 [1,0,0,0,0,0|3,0,0]=4 55 B8R1.11 CCN1N=NNC1=O MCULE-2824266215 [1,0,0,0,0,0|3,0,0]=4 56 B8R1.11 CC[N+]1=C(SC=C1)N MCULE-8499506922 [1,0,0,0,0,0|2,0,1]=4 57 B8R1.11 CC[N+]1=CC=CN1C MCULE-1689563914 [1,0,0,0,0,0|2,0,1]=4 58 B8R1.11 CC[N+]1=CC=CN1C MCULE-9049653056 [1,0,0,0,0,0|2,0,1]=4 59 B8R1.50 CC1=CC=C(N1C)C MCULE-4143928476 [1,0,0,0,0,0|2,0,0]=3 60 B8R1.50 CC1=CC=C(N1N)C MCULE-8750393340 [1,0,0,0,0,0|3,0,0]=4 61 B8R1.50 CC1=CC=[N+](N1C)C MCULE-1583529559 [1,0,0,0,0,0|3,0,0]=4 62 B8R1.50 CC1=CC=[N+](N1C)C MCULE-2282433038 [1,0,0,0,0,0|3,0,0]=4 63 B8R1.50 CC1=CN=C(N1C)Br MCULE-6579001930 [1,0,0,0,0,0|3,0,0]=4 64 B8R1.50 CC1=CN=C(N1C)C MCULE-4791759733 [1,0,0,0,0,0|3,0,0]=4 65 B8R1.50 CC1=CSC(=S)N1C MCULE-8922061597 [1,0,0,0,0,0|2,1,0]=4 66 B8R1.50 CC1=NC=C(N1C)Br MCULE-6990569599 [1,0,0,0,0,0|3,0,0]=4 67 B8R1.50 CC1=NC=C(N1C)I MCULE-9128905964 [1,0,0,0,0,0|3,0,0]=4 68 B8R1.50 CC1=NC=C(N1C)N MCULE-7575940424 [1,0,0,0,0,0|3,0,0]=4 69 B8R1.50 CC1=NNC(=O)N1C MCULE-7430385178 [1,0,0,0,0,0|3,0,0]=4 70 B8R1.50 CC1C(=O)CCC1=O MCULE-4418458735 [1,0,0,0,0,0|1,0,2]=4 71 B8R1.50 CC1C(=O)COC1=O MCULE-4188541096 [1,0,0,0,0,0|2,0,1]=4 72 B8R1.50 CN1C(=CN=C1Br)Br MCULE-5716974518 [1,0,0,0,0,0|3,0,0]=4 73 B8R1.50 CN1C(=CN=C1I)I MCULE-2180809256 [1,0,0,0,0,0|3,0,0]=4 74 B8R1.50 CN1C(=O)C=CC1=O MCULE-2337038549 [1,0,0,0,0,0|0,0,0]=1 75 B8R1.50 CN1C(=O)CCC1=O MCULE-6726005566 [1,0,0,0,0,0|0,0,2]=3 76 B8R1.50 CN1C(=O)CNC1=O MCULE-8997643894 [1,0,0,0,0,0|1,0,1]=3 77 B8R1.50 CN1C(=O)CNC1=S MCULE-6633485185 [1,0,0,0,0,0|1,1,1]=4 78 B8R1.50 CN1C(=O)COC1=O MCULE-1190604947 [1,0,0,0,0,0|1,0,1]=3 79 B8R1.50 CN1C(=O)CSC1=O MCULE-8837313577 [1,0,0,0,0,0|1,0,1]=3 80 B8R1.50 CN1C(=O)CSC1=S MCULE-8742608574 [1,0,0,0,0,0|1,1,1]=4 81 B8R1.50 CN1C(=O)N=NC1=O MCULE-3120186978 [1,0,0,0,0,0|2,0,0]=3 82 B8R1.50 CN1C(=O)NN=C1S MCULE-4115576499 [1,0,0,0,0,0|2,1,0]=4 83 B8R1.50 CN1C(=O)NNC1=O MCULE-9990504316 [1,0,0,0,0,0|2,0,0]=3 84 B8R1.50 NN1C(=O)CCC1=O MCULE-4432056181 [1,0,0,0,0,0|1,0,2]=4 85 B8R1.50 NN1C(=O)CCC1=O MCULE-8224510852 [1,0,0,0,0,0|1,0,2]=4 86 B8R1.50 NN1C(=O)CNC1=O MCULE-3172416594 [1,0,0,0,0,0|2,0,1]=4 87 B8R1.50 NN1C(=O)NNC1=O MCULE-6234762498 [1,0,0,0,0,0|3,0,0]=4 88 B8R1.50 O=C1C=CC(=O)N1Cl MCULE-3334700253 [1,0,0,0,0,0|1,0,0]=2 89 B8R1.50 O=C1C=CC(=O)N1O MCULE-9775072223 [1,0,0,0,0,0|1,0,0]=2 90 B8R1.50 O=C1CCC(=O)N1Br MCULE-6561724377 [1,0,0,0,0,0|1,0,2]=4 91 B8R1.50 O=C1CCC(=O)N1Cl MCULE-3093539402 [1,0,0,0,0,0|1,0,2]=4 92 B8R1.50 O=C1CCC(=O)N1I MCULE-8261967194 [1,0,0,0,0,0|1,0,2]=4 93 B8R1.50 O=C1CCC(=O)N1O MCULE-5478278340 [1,0,0,0,0,0|1,0,2]=4 94 B10R1.187 C#CCN1C(=CC=C1C)C MCULE-5631995952 [0,1,0,0,0,0|2,0,1]=4 95 B10R1.187 C#CCN1C(=O)C=CC1=O MCULE-7990670928 [0,1,0,0,0,0|0,0,1]=2 96 B10R1.187 C#CCN1C(=O)CCC1=O MCULE-1865325975 [0,1,0,0,0,0|0,0,3]=4 97 B10R1.187 C#CCN1C(=O)NNC1=O MCULE-6089350706 [0,1,0,0,0,0|2,0,1]=4 98 B10R1.187 C=CCN1C(=O)C=CC1=O MCULE-8273326462 [0,1,0,0,0,0|0,0,1]=2 99 B10R1.187 C=CCN1C(=O)CCC1=O MCULE-9965018818 [0,1,0,0,0,0|0,0,3]=4 100 B10R1.187 C=CCN1C(=O)CNC1=O MCULE-8825025020 [0,1,0,0,0,0|1,0,2]=4 101 B10R1.187 C=CCN1C(=O)CSC1=O MCULE-9914508748 [0,1,0,0,0,0|1,0,2]=4 102 B10R1.187 CC1=CC=C(N1CC#N)C MCULE-7409719678 [0,1,0,0,0,0|2,0,1]=4 103 B10R1.187 CC1=CC=C(N1CCO)C MCULE-2594283676 [0,1,0,0,0,0|2,0,0]=3 104 B10R1.187 CC1=CN=C(N1CCN)C MCULE-5791203418 [0,1,0,0,0,0|3,0,0]=4 105 B10R1.187 CC1=CN=C(N1CCN)C MCULE-7464923784 [0,1,0,0,0,0|3,0,0]=4 106 B10R1.187 CC1=CSC(=O)N1CCBr MCULE-9666512809 [0,1,0,0,0,0|2,0,0]=3 107 B10R1.187 CC1=NC=C(N1CCO)N MCULE-4322202740 [0,1,0,0,0,0|3,0,0]=4 108 B10R1.187 CC1=NC=C(N1CCO)N MCULE-7332206599 [0,1,0,0,0,0|3,0,0]=4 109 B10R1.187 CCCN1C(=CC=C1C)C MCULE-7118016228 [0,1,0,0,0,0|2,0,0]=3 110 B10R1.187 CCCN1C(=O)C=CC1=O MCULE-3671722315 [0,1,0,0,0,0|0,0,0]=1 111 B10R1.187 CCCN1C(=O)CN=C1S MCULE-9105110728 [0,1,0,0,0,0|1,1,1]=4 112 B10R1.187 CCCN1C(=O)CSC1=S MCULE-2218355920 [0,1,0,0,0,0|1,1,1]=4 113 B10R1.187 CCSN1C(=O)CCC1=O MCULE-1042875473 [0,1,0,0,0,0|0,0,2]=3 114 B10R1.187 CNCN1C(=O)CSC1=O MCULE-4544562317 [0,1,0,0,0,0|1,0,1]=3 115 B10R1.187 N#CCN1C(=O)CCC1=O MCULE-5653788451 [0,1,0,0,0,0|0,0,3]=4 116 B10R1.187 NCCN1C(=O)C=CC1=O MCULE-2620497864 [0,1,0,0,0,0|0,0,0]=1 117 B10R1.187 NCCN1C(=O)C=CC1=O MCULE-5522116258 [0,1,0,0,0,0|0,0,0]=1 118 B10R1.187 NCCN1C(=O)C=CC1=O MCULE-6372231545 [0,1,0,0,0,0|0,0,0]=1 119 B10R1.187 NCCN1C(=O)CCC1=O MCULE-7083439201 [0,1,0,0,0,0|0,0,2]=3 120 B10R1.187 NCCN1C(=O)CCC1=O MCULE-7982894713 [0,1,0,0,0,0|0,0,2]=3 121 B10R1.187 NCCN1C(=O)CNC1=O MCULE-3181047283 [0,1,0,0,0,0|1,0,1]=3 122 B10R1.187 NCCN1C(=O)CNC1=O MCULE-9252448662 [0,1,0,0,0,0|1,0,1]=3 123 B10R1.187 NCCN1C(=O)COC1=O MCULE-1481126104 [0,1,0,0,0,0|1,0,1]=3 124 B10R1.187 NCCN1C(=O)COC1=O MCULE-4962480521 [0,1,0,0,0,0|1,0,1]=3 125 B10R1.187 NCCN1C(=O)CSC1=O MCULE-4692714638 [0,1,0,0,0,0|1,0,1]=3 126 B10R1.187 NCCN1C(=O)CSC1=O MCULE-5250524091 [0,1,0,0,0,0|1,0,1]=3 127 B10R1.187 NCCN1C(=O)CSC1=S MCULE-6517029904 [0,1,0,0,0,0|1,1,1]=4 128 B10R1.187 NCCN1C(=O)CSC1=S MCULE-8297074245 [0,1,0,0,0,0|1,1,1]=4 129 B10R1.187 O=C1C=CC(=O)N1CCBr MCULE-9027768505 [0,1,0,0,0,0|0,0,0]=1 130 B10R1.187 O=C1C=CC(=O)N1CCO MCULE-4825864501 [0,1,0,0,0,0|0,0,0]=1 131 B10R1.187 O=C1CCC(=O)N1CCBr MCULE-5348025767 [0,1,0,0,0,0|0,0,2]=3 132 B10R1.187 O=C1CCC(=O)N1CCCl MCULE-1698523682 [0,1,0,0,0,0|0,0,2]=3 133 B10R1.187 O=C1CCC(=O)N1CCO MCULE-4761387796 [0,1,0,0,0,0|0,0,2]=3 134 B10R1.187 O=C1CNC(=O)N1CCBr MCULE-6872932586 [0,1,0,0,0,0|1,0,1]=3 135 B10R1.187 O=C1CNC(=O)N1CCCl MCULE-4205767382 [0,1,0,0,0,0|1,0,1]=3 136 B10R1.187 O=C1CNC(=O)N1CCO MCULE-4896916902 [0,1,0,0,0,0|1,0,1]=3 137 B10R1.187 O=C1CSC(=O)N1CCBr MCULE-5619957587 [0,1,0,0,0,0|1,0,1]=3 138 B10R1.187 O=C1CSC(=O)N1CCO MCULE-2314167382 [0,1,0,0,0,0|1,0,1]=3 139 B10R1.187 O=CCN1C(=O)CCC1=O MCULE-8830991294 [0,1,0,0,0,0|0,0,3]=4 140 B10R1.192 CC(=O)N1C(=O)CCC1=O MCULE-5136593237 [0,1,0,0,0,0|0,0,3]=4 141 B10R1.192 CC(C)C1C(=O)CCC1=O MCULE-9825556082 [0,1,0,0,0,0|1,0,2]=4 142 B10R1.192 CC(C)N1C(=O)C=CC1=O MCULE-6596841616 [0,1,0,0,0,0|0,0,0]=1 143 B10R1.192 CC(C)N1C(=O)CNC1=O MCULE-4825648113 [0,1,0,0,0,0|1,0,1]=3 144 B10R1.192 CC(C)N1C(=O)CSC1=S MCULE-9965446406 [0,1,0,0,0,0|1,1,1]=4 145 B10R1.192 CN(C)N1C(=O)CCC1=O MCULE-5941986627 [0,1,0,0,0,0|1,0,2]=4 146 B10R1.192 NC(=O)N1C(=O)C=CC1=O MCULE-1976851415 [0,1,0,0,0,0|1,0,1]=3 147 B10R1.256 CCC1=C(C(=O)NC1=O)C MCULE-8166231468 [0,1,0,0,0,0|3,0,0]=4 148 B10R1.256 CCN1C(=NC(=C1Br)Br)Br MCULE-9940579055 [0,1,0,0,0,0|3,0,0]=4 149 B10R1.256 CCN1C(=NC(=C1C)Br)Br MCULE-4639685174 [0,1,0,0,0,0|3,0,0]=4 150 B10R1.256 CCN1C(=NC(=C1C)I)I MCULE-7649340609 [0,1,0,0,0,0|3,0,0]=4 151 B10R1.256 CCN1C(=NC(=C1Cl)I)C MCULE-1011549954 [0,1,0,0,0,0|3,0,0]=4 152 B10R1.256 CCN1C(=O)C=C(C1=O)C MCULE-6445056699 [0,1,0,0,0,0|0,0,0]=1 153 B10R1.256 CCN1C(=O)CC(C1=O)O MCULE-3060345343 [0,1,0,0,0,0|0,0,2]=3 154 B10R1.256 CCN1C(=O)CN(C1=S)C MCULE-1138691633 [0,1,0,0,0,0|1,1,1]=4 155 B10R1.256 CCN1C(=O)NC(=O)C1=O MCULE-3121866834 [0,1,0,0,0,0|1,0,0]=2 156 B10R1.256 CON1C(=O)NC(=O)C1=O MCULE-7875391552 [0,1,0,0,0,0|2,0,0]=3 157 B10R1.257 CCC1=NNC(=O)N1CC MCULE-2942301790 [0,1,0,0,0,0|3,0,0]=4 158 B10R1.257 CCN1C(=CC=C1C=O)C MCULE-3556747192 [0,1,0,0,0,0|1,0,0]=2 159 B10R1.257 CCN1C(=CN=C1C=O)C MCULE-4909325065 [0,1,0,0,0,0|2,0,0]=3 160 B10R1.257 CCN1C(=CN=C1CO)C MCULE-5438203206 [0,1,0,0,0,0|2,0,1]=4 161 B10R1.257 CCN1C(=CN=C1NN)C MCULE-4035209763 [0,1,0,0,0,0|3,0,0]=4 162 B10R1.257 CCN1C(=CN=C1NN)C MCULE-9203785379 [0,1,0,0,0,0|3,0,0]=4 163 B10R1.257 CCN1C(=CN=C1S)CO MCULE-6464310641 [0,1,0,0,0,0|1,1,1]=4 164 B10R1.257 CCN1C(=O)NN=C1CO MCULE-8885211911 [0,1,0,0,0,0|2,0,1]=4 165 B8R0.1 C=CC=CC(=O)OCC MCULE-4508819548 [0,0,1,0,0,0|2,0,0]=3 166 B8R0.1 CC/C=C/C(=O)OCC MCULE-6281513551 [0,0,1,0,0,0|2,0,1]=4 167 B8R0.1 CCC=CC(=O)OCC MCULE-2840510617 [0,0,1,0,0,0|2,0,1]=4 168 B8R0.1 CCNC(=S)NNC=O MCULE-8861789073 [0,0,1,0,0,0|2,1,0]=4 169 B8R0.1 CCOC(=O)/C=C/C=O MCULE-9219622537 [0,0,1,0,0,0|1,0,0]=2 170 B8R0.1 CCOC(=O)/C=C/CBr MCULE-5352661836 [0,0,1,0,0,0|2,0,1]=4 171 B8R0.1 CCOC(=O)/C=C/CO MCULE-7879343808 [0,0,1,0,0,0|1,0,2]=4 172 B8R0.1 CCOC(=O)/C=C\C#N MCULE-4457021806 [0,0,1,0,0,0|2,0,1]=4 173 B8R0.1 CCOC(=O)C=CC#N MCULE-2321976691 [0,0,1,0,0,0|2,0,1]=4 174 B8R0.1 CCOC(=O)C=CC=O MCULE-7165096046 [0,0,1,0,0,0|1,0,0]=2 175 B8R0.1 CCOC(=O)C=CCBr MCULE-6455444227 [0,0,1,0,0,0|2,0,1]=4 176 B8R0.1 CCOC(=O)C=CCCl MCULE-7995326623 [0,0,1,0,0,0|2,0,1]=4 177 B8R0.1 CCOC(=O)C=CCN MCULE-4129018658 [0,0,1,0,0,0|2,0,1]=4 178 B8R0.1 CCOC(=O)C=CCN MCULE-5635501690 [0,0,1,0,0,0|2,0,1]=4 179 B8R0.1 CCOC(=O)C=CCN MCULE-9641729290 [0,0,1,0,0,0|2,0,1]=4 180 B8R0.1 CCOC(=O)C=CCO MCULE-7710620250 [0,0,1,0,0,0|1,0,2]=4 181 B8R0.1 CCOC(=O)CCC=O MCULE-2891201608 [0,0,1,0,0,0|1,0,2]=4 182 B8R0.1 CCOC(=O)CNC=O MCULE-7904243111 [0,0,1,0,0,0|2,0,1]=4 183 B8R0.18 CCC(C(=O)C)C(=O)C MCULE-2654310210 [0,0,1,0,0,0|1,0,2]=4 184 B8R0.18 CCC(C(=O)C)C(=O)[O-] MCULE-6595833151 [0,0,1,0,0,0|2,0,1]=4 185 B8R0.18 CCC(C(=O)C)C(=O)[O-] MCULE-8541174028 [0,0,1,0,0,0|2,0,1]=4 186 B8R0.18 CCC(C(=O)Cl)C(=O)Cl MCULE-8542721391 [0,0,1,0,0,0|3,0,0]=4 187 B8R0.18 CCC(C(=O)O)C(=O)O MCULE-3288957588 [0,0,1,0,0,0|3,0,0]=4 188 B8R0.18 CCC(C(=O)[O-])C(=O)[O-] MCULE-5481544745 [0,0,1,0,0,0|3,0,0]=4 189 B8R0.18 CON(C(=O)C)C(=O)C MCULE-2051447741 [0,0,1,0,0,0|1,0,2]=4 190 B8R0.20 C=CC(=O)N(CC)CC MCULE-7297711661 [0,0,1,0,0,0|1,0,1]=3 191 B10R2.32 BrC1=CN=C2N1CCC2 MCULE-6045496850 [0,0,0,1,0,0|3,0,0]=4 192 B10R2.32 CC1=CSC2=NCCN12 MCULE-2002971748 [0,0,0,1,0,0|3,0,0]=4 193 B10R2.32 IC1=CN=C2N1CCC2 MCULE-3691491333 [0,0,0,1,0,0|3,0,0]=4 194 B10R2.32 NC1=CN=C2N1CCC2 MCULE-8810990025 [0,0,0,1,0,0|3,0,0]=4 195 B10R2.32 NC1=NC=C2N1CCC2 MCULE-3478361296 [0,0,0,1,0,0|3,0,0]=4 196 B10R2.32 O=C1CSC2=NCCN12 MCULE-4492357028 [0,0,0,1,0,0|2,0,1]=4 197 B10R2.32 O=C1CSC2=NCCN12 MCULE-9460576557 [0,0,0,1,0,0|2,0,1]=4 198 B10R2.32 O=C1NN=C2N1CCC2 MCULE-5614237959 [0,0,0,1,0,0|3,0,0]=4 199 B10R1.30 CCC1=C(C=CC(=C1)Br)Br MCULE-2146880704 [0,0,0,0,0,1|3,0,0]=4 200 B10R1.30 CCC1=C(C=CC(=C1)Br)C MCULE-9628952032 [0,0,0,0,0,1|3,0,0]=4 201 B10R1.30 CCC1=C(C=CC(=C1)Br)Cl MCULE-2701787555 [0,0,0,0,0,1|3,0,0]=4 202 B10R1.30 CCC1=C(C=CC(=C1)Br)F MCULE-7517590246 [0,0,0,0,0,1|3,0,0]=4 203 B10R1.30 CCC1=C(C=CC(=C1)C)C MCULE-3174879044 [0,0,0,0,0,1|3,0,0]=4 204 B10R1.30 CCC1=C(C=CC(=C1)C)O MCULE-3641709658 [0,0,0,0,0,1|2,0,1]=4 205 B10R1.30 CCC1=C(C=CC(=C1)Cl)Br MCULE-7953161037 [0,0,0,0,0,1|3,0,0]=4 206 B10R1.30 CCC1=C(C=CC(=C1)Cl)F MCULE-4628507291 [0,0,0,0,0,1|3,0,0]=4 207 B10R1.30 CCC1=C(C=CC(=C1)Cl)N MCULE-2030281540 [0,0,0,0,0,1|3,0,0]=4 208 B10R1.30 CCC1=C(C=CC(=C1)F)Br MCULE-1340853153 [0,0,0,0,0,1|3,0,0]=4 209 B10R1.30 CCC1=C(C=CC(=C1)F)F MCULE-9532735262 [0,0,0,0,0,1|3,0,0]=4 210 B10R1.30 CCC1=C(C=CC(=C1)F)O MCULE-5429573384 [0,0,0,0,0,1|2,0,1]=4 211 B10R1.30 CCC1=C(C=CC(=C1)I)F MCULE-8324734385 [0,0,0,0,0,1|3,0,0]=4 212 B10R1.30 CCC1=C(C=CC(=C1)I)N MCULE-1138679415 [0,0,0,0,0,1|3,0,0]=4 213 B10R1.30 CCC1=C(C=CC(=C1)I)N MCULE-1897712770 [0,0,0,0,0,1|3,0,0]=4 214 B10R1.30 CCC1=C(C=CC(=C1)N)Br MCULE-9825061272 [0,0,0,0,0,1|3,0,0]=4 215 B10R1.30 CCC1=C(C=CC(=C1)N)C MCULE-4814932090 [0,0,0,0,0,1|3,0,0]=4 216 B10R1.30 CCC1=C(C=CC(=C1)N)F MCULE-2357584631 [0,0,0,0,0,1|3,0,0]=4 217 B10R1.30 CCC1=C(C=CC(=C1)N)N MCULE-8319375003 [0,0,0,0,0,1|3,0,0]=4 218 B10R1.30 CCC1=C(C=CC(=C1)N)N MCULE-8336597921 [0,0,0,0,0,1|3,0,0]=4 219 B10R1.30 CCC1=C(C=CC(=C1)N)O MCULE-1665487235 [0,0,0,0,0,1|2,0,1]=4 220 B10R1.30 CCC1=C(C=CC(=C1)O)Cl MCULE-5750007163 [0,0,0,0,0,1|2,0,1]=4 221 B10R1.30 CCC1=C(C=CC(=C1)O)F MCULE-2845167668 [0,0,0,0,0,1|2,0,1]=4 222 B10R1.30 CCC1=C(C=CC(=C1)O)N MCULE-4978478750 [0,0,0,0,0,1|2,0,1]=4 223 B10R1.30 CCC1=C(C=CC(=C1)O)O MCULE-9925250916 [0,0,0,0,0,1|1,0,2]=4 224 B10R1.30 CCC1=C(C=CC(=C1)S)Cl MCULE-4584019478 [0,0,0,0,0,1|2,1,0]=4 225 B10R1.30 CCC1=C(C=CC(=N1)Br)Br MCULE-6683173769 [0,0,0,0,0,1|3,0,0]=4 226 B10R1.30 CCC1=C(C=CC(=N1)C)O MCULE-3276219889 [0,0,0,0,0,1|2,0,1]=4 227 B10R1.30 CCC1=C(C=CC(=N1)Cl)C MCULE-4381709542 [0,0,0,0,0,1|3,0,0]=4 228 B10R1.30 CCC1=CC(=CC=C1Br)I MCULE-3445971787 [0,0,0,0,0,1|3,0,0]=4 229 B10R1.30 CCC1=CC(=CC=C1Br)O MCULE-9494428403 [0,0,0,0,0,1|2,0,1]=4 230 B10R1.30 CCC1=CC(=CC=C1C)O MCULE-2990853184 [0,0,0,0,0,1|2,0,1]=4 231 B10R1.30 CCC1=CC(=CC=C1I)Br MCULE-3899198636 [0,0,0,0,0,1|3,0,0]=4 232 B10R1.30 CCC1=CC(=CC=C1I)O MCULE-4882745855 [0,0,0,0,0,1|2,0,1]=4 233 B10R1.30 CCC1=CC(=CC=C1N)Br MCULE-5082179424 [0,0,0,0,0,1|3,0,0]=4 234 B10R1.30 CCC1=CC(=CC=C1N)Br MCULE-8280621935 [0,0,0,0,0,1|3,0,0]=4 235 B10R1.30 CCC1=CC(=CC=C1N)Cl MCULE-6958174704 [0,0,0,0,0,1|3,0,0]=4 236 B10R1.30 CCC1=CC(=CC=C1N)F MCULE-1463402415 [0,0,0,0,0,1|3,0,0]=4 237 B10R1.30 CCC1=CC(=CC=C1O)Br MCULE-4245736972 [0,0,0,0,0,1|2,0,1]=4 238 B10R1.30 CCC1=CC(=O)NC=C1Br MCULE-2982129770 [0,0,0,0,0,1|3,0,0]=4 239 B10R1.30 CCC1=NC(=CC=C1N)Br MCULE-1029097329 [0,0,0,0,0,1|3,0,0]=4 240 B10R1.30 CCC1=NC(=CC=C1N)Cl MCULE-3731661555 [0,0,0,0,0,1|3,0,0]=4 241 B10R1.30 CCC1=NC(=CC=C1N)I MCULE-2533950046 [0,0,0,0,0,1|3,0,0]=4 242 B10R1.30 CCC1=NC(=CC=C1O)Br MCULE-5993047280 [0,0,0,0,0,1|2,0,1]=4 243 B10R1.30 CCC1=NC(=CC=C1O)C MCULE-6680982470 [0,0,0,0,0,1|2,0,1]=4 244 B10R1.30 CCC1=NC(=CC=C1O)C MCULE-8705865304 [0,0,0,0,0,1|2,0,1]=4 245 B10R1.30 CCC1=NC(=CC=C1O)C MCULE-8796633529 [0,0,0,0,0,1|2,0,1]=4 246 B10R1.30 CCN1C=C(C=CC1=O)Br MCULE-9423306897 [0,0,0,0,0,1|1,0,0]=2 247 B10R1.30 CCN1C=C(C=CC1=O)N MCULE-6337908725 [0,0,0,0,0,1|1,0,0]=2 248 B10R1.30 CCN1C=C(C=NC1=O)Br MCULE-9675407681 [0,0,0,0,0,1|2,0,0]=3 249 B10R1.30 CCN1C=C(N=CC1=O)Br MCULE-3634793492 [0,0,0,0,0,1|2,0,0]=3 250 B10R1.30 CCN1N=C(C=CC1=O)Br MCULE-5898175178 [0,0,0,0,0,1|1,0,0]=2 251 B10R1.30 CCN1N=C(C=CC1=O)Cl MCULE-7512456276 [0,0,0,0,0,1|1,0,0]=2 252 B10R1.30 CC[C@@H]1NC(=O)CNC1=O MCULE-4523744319 [0,0,0,0,0,1|2,0,1]=4 253 B10R1.30 COC1=CC(=O)C=CC1=O MCULE-3004482786 [0,0,0,0,0,1|2,0,0]=3 254 B10R1.30 O=C1C=CC(=O)C(=C1)CO MCULE-6498515132 [0,0,0,0,0,1|2,0,0]=3 255 B10R1.245 CC1=C(C(=O)NC=C1)CN MCULE-4432996647 [0,0,0,0,0,1|3,0,0]=4 256 B10R1.245 CCC1=C(C=CC=C1Br)Br MCULE-3344615033 [0,0,0,0,0,1|3,0,0]=4 257 B10R1.245 CCC1=C(C=CC=C1Br)Cl MCULE-3784016984 [0,0,0,0,0,1|3,0,0]=4 258 B10R1.245 CCC1=C(C=CC=C1Cl)O MCULE-9196284591 [0,0,0,0,0,1|2,0,1]=4 259 B10R1.245 CCC1=C(C=CC=C1F)F MCULE-1551965557 [0,0,0,0,0,1|3,0,0]=4 260 B10R1.245 CCC1=C(C=CC=C1I)Br MCULE-5157766063 [0,0,0,0,0,1|3,0,0]=4 261 B10R1.245 CCC1=C(C=CC=C1N)O MCULE-3255043660 [0,0,0,0,0,1|2,0,1]=4 262 B10R1.245 CCC1=C(C=CC=C1O)F MCULE-1788963033 [0,0,0,0,0,1|2,0,1]=4 263 B10R1.245 CCC1=C(C=CC=C1O)O MCULE-8068456761 [0,0,0,0,0,1|1,0,2]=4 264 B10R1.245 CCC1=C(C=NC=C1F)Br MCULE-7046616872 [0,0,0,0,0,1|3,0,0]=4 265 B10R1.245 CCC1C(=O)CCCC1=O MCULE-2763743652 [0,0,0,0,0,1|1,0,2]=4 266 B10R1.245 CCN1C(=O)C=CC=C1Br MCULE-7606546462 [0,0,0,0,0,1|1,0,0]=2 267 B10R1.245 CCN1C(=O)CNCC1=O MCULE-4359668565 [0,0,0,0,0,1|0,0,2]=3 268 B10R1.245 CCN1C(=O)CNCC1=O MCULE-7137901469 [0,0,0,0,0,1|0,0,2]=3 269 B10R1.245 COC1=C(NC=CC1=O)C MCULE-3728799393 [0,0,0,0,0,1|3,0,0]=4 270 B10R1.245 COC1=C(OC=CC1=O)C MCULE-6055911233 [0,0,0,0,0,1|3,0,0]=4 271 B7R0.1 CCC=CC=CC=O MCULE-2064802795 [1,0,1,0,0,0|1,0,0]=3 272 B7R0.1 CCCC/C=C/C=O MCULE-1260131686 [1,0,1,0,0,0|1,0,1]=4 273 B7R0.1 CCCCC=CC=O MCULE-6776317009 [1,0,1,0,0,0|1,0,1]=4 274 B7R0.3 C=CC=CC(=O)OC MCULE-1940821537 [1,0,1,0,0,0|2,0,0]=4 275 B7R0.3 CCC(=O)/C=C/C=O MCULE-5654548275 [1,0,1,0,0,0|0,0,0]=2 276 B7R0.3 CCC(=O)C=CC=O MCULE-8246295239 [1,0,1,0,0,0|0,0,0]=2 277 B7R0.3 CCC(O)C=CC=O MCULE-4385008411 [1,0,1,0,0,0|0,0,2]=4 278 B7R0.3 CNC(=O)C=CCN MCULE-3646722223 [1,0,1,0,0,0|1,0,1]=4 279 B7R0.3 CNC(=O)C=CCN MCULE-6988679780 [1,0,1,0,0,0|1,0,1]=4 280 B7R0.3 COC(=O)C=CC=O MCULE-3663456611 [1,0,1,0,0,0|1,0,0]=3 281 B7R0.7 C/C=C/C(=O)OCC MCULE-8433823264 [1,0,1,0,0,0|1,0,1]=4 282 B7R0.7 C=C=CC(=O)OCC MCULE-9108726418 [1,0,1,0,0,0|1,0,1]=4 283 B7R0.7 C=CCC(=O)OCC MCULE-2006542536 [1,0,1,0,0,0|1,0,1]=4 284 B7R0.7 C=COC(=O)CCC MCULE-2764567967 [1,0,1,0,0,0|2,0,0]=4 285 B7R0.7 CC=CC(=O)OCC MCULE-1904771513 [1,0,1,0,0,0|1,0,1]=4 286 B7R0.7 CCOC(=O)/C=C/I MCULE-4105665503 [1,0,1,0,0,0|2,0,0]=4 287 B7R0.7 CCOC(=O)/C=C/O MCULE-1984925411 [1,0,1,0,0,0|1,0,1]=4 288 B7R0.7 CCOC(=O)/C=C/[O-] MCULE-5625833261 [1,0,1,0,0,0|1,0,1]=4 289 B7R0.7 CCOC(=O)/C=C\Br MCULE-7525620721 [1,0,1,0,0,0|2,0,0]=4 290 B7R0.7 CCOC(=O)/C=C\I MCULE-4741067503 [1,0,1,0,0,0|2,0,0]=4 291 B7R0.7 CCOC(=O)/C=C\N MCULE-1135242139 [1,0,1,0,0,0|2,0,0]=4 292 B7R0.7 CCOC(=O)C=CBr MCULE-3778834856 [1,0,1,0,0,0|2,0,0]=4 293 B7R0.7 CCOC(=O)C=CI MCULE-9930784067 [1,0,1,0,0,0|2,0,0]=4 294 B7R0.7 CCOC(=O)C=CO MCULE-2570791221 [1,0,1,0,0,0|1,0,1]=4 295 B7R0.7 CCOC(=O)C=C[O-] MCULE-8425740727 [1,0,1,0,0,0|1,0,1]=4 296 B7R0.7 CCOC(=O)CC=O MCULE-5042552247 [1,0,1,0,0,0|1,0,1]=4 297 B7R0.7 CCOC(=O)[CH-]C=O MCULE-1944484299 [1,0,1,0,0,0|1,0,1]=4 298 B7R0.7 CCOC(=O)[CH-]C=O MCULE-5022028224 [1,0,1,0,0,0|1,0,1]=4 299 B7R0.15 CCN(N=O)C(=O)N MCULE-1587704958 [1,0,1,0,0,0|2,0,0]=4 300 B7R0.16 CC(=O)N(C)C(=O)C MCULE-6245493539 [1,0,1,0,0,0|0,0,2]=4 301 B7R0.16 CN(C(=O)Cl)C(=O)Cl MCULE-8169088410 [1,0,1,0,0,0|2,0,0]=4 302 B7R0.10 C=CC(=O)N(C)CC MCULE-8629361048 [1,0,1,0,0,0|0,0,1]=3 303 B7R0.10 C=CC(=O)N(C)OC MCULE-8945434721 [1,0,1,0,0,0|1,0,1]=4 304 B7R1.1 BrCN1C=CC=N1 MCULE-4725249683 [2,0,0,0,0,0|2,0,0]=4 305 B7R1.1 BrCN1C=CC=N1 MCULE-6011179701 [2,0,0,0,0,0|2,0,0]=4 306 B7R1.1 C#CN1C=CC=C1 MCULE-3238559982 [2,0,0,0,0,0|0,0,2]=4 307 B7R1.1 CCC1=CC=CN1 MCULE-9168935708 [2,0,0,0,0,0|2,0,0]=4 308 B7R1.1 CCC1=CC=CO1 MCULE-6819919667 [2,0,0,0,0,0|2,0,0]=4 309 B7R1.1 CCC1=CC=CS1 MCULE-1811294638 [2,0,0,0,0,0|2,0,0]=4 310 B7R1.1 CCC1=CNC=C1 MCULE-7105940220 [2,0,0,0,0,0|2,0,0]=4 311 B7R1.1 CCC1=CSC=C1 MCULE-7192433774 [2,0,0,0,0,0|2,0,0]=4 312 B7R1.1 CCN1C=CC=C1 MCULE-7636090544 [2,0,0,0,0,0|0,0,0]=2 313 B7R1.1 CCN1C=CC=N1 MCULE-3243448790 [2,0,0,0,0,0|1,0,0]=3 314 B7R1.1 CCN1C=CN=C1 MCULE-1925854308 [2,0,0,0,0,0|1,0,0]=3 315 B7R1.1 CCN1C=CN=N1 MCULE-6925302885 [2,0,0,0,0,0|2,0,0]=4 316 B7R1.1 CCN1C=NC=N1 MCULE-3982535071 [2,0,0,0,0,0|2,0,0]=4 317 B7R1.1 ClCN1C=CC=N1 MCULE-1905851399 [2,0,0,0,0,0|2,0,0]=4 318 B7R1.1 ClCN1C=CC=N1 MCULE-5068940089 [2,0,0,0,0,0|2,0,0]=4 319 B7R1.1 OCN1C=CC=N1 MCULE-9665267248 [2,0,0,0,0,0|2,0,0]=4 320 B7R1.1 OCN1C=CN=C1 MCULE-2697787926 [2,0,0,0,0,0|2,0,0]=4 321 B7R1.4 CC1=CC=CN1C MCULE-7997774693 [2,0,0,0,0,0|1,0,0]=3 322 B7R1.4 CC1=CC=NN1C MCULE-9285969175 [2,0,0,0,0,0|2,0,0]=4 323 B7R1.4 CC1=CN=CN1C MCULE-8637470675 [2,0,0,0,0,0|2,0,0]=4 324 B7R1.4 CC1=NC=CN1C MCULE-6619799827 [2,0,0,0,0,0|2,0,0]=4 325 B7R1.4 CN1C=CC=C1Cl MCULE-2760073099 [2,0,0,0,0,0|1,0,0]=3 326 B7R1.4 CN1C=CC=C1O MCULE-1520569878 [2,0,0,0,0,0|0,0,1]=3 327 B7R1.4 CN1C=CN=C1Br MCULE-7145092626 [2,0,0,0,0,0|2,0,0]=4 328 B7R1.4 CN1C=CN=C1Br MCULE-9624456848 [2,0,0,0,0,0|2,0,0]=4 329 B7R1.4 CN1C=CN=C1Br MCULE-9641055441 [2,0,0,0,0,0|2,0,0]=4 330 B7R1.4 CN1C=CN=C1Cl MCULE-2044150179 [2,0,0,0,0,0|2,0,0]=4 331 B7R1.4 CN1C=CN=C1F MCULE-8834010271 [2,0,0,0,0,0|2,0,0]=4 332 B7R1.4 CN1C=CN=C1I MCULE-7034235074 [2,0,0,0,0,0|2,0,0]=4 333 B7R1.4 CN1C=CN=C1N MCULE-2411967317 [2,0,0,0,0,0|2,0,0]=4 334 B7R1.4 CN1C=CN=C1N MCULE-3692285948 [2,0,0,0,0,0|2,0,0]=4 335 B7R1.4 CN1C=CN=C1S MCULE-9902292741 [2,0,0,0,0,0|1,1,0]=4 336 B7R1.4 CN1C=CNC1=O MCULE-9198950029 [2,0,0,0,0,0|1,0,0]=3 337 B7R1.4 CN1C=CSC1=N MCULE-1912030151 [2,0,0,0,0,0|2,0,0]=4 338 B7R1.4 CN1C=CSC1=N MCULE-5071203135 [2,0,0,0,0,0|2,0,0]=4 339 B7R1.4 CN1C=NC=C1Br MCULE-4063775513 [2,0,0,0,0,0|2,0,0]=4 340 B7R1.4 CN1C=NC=C1Cl MCULE-7656904356 [2,0,0,0,0,0|2,0,0]=4 341 B7R1.4 CN1C=NC=C1I MCULE-2084832066 [2,0,0,0,0,0|2,0,0]=4 342 B7R1.4 CN1C=NC=C1N MCULE-2609753262 [2,0,0,0,0,0|2,0,0]=4 343 B7R1.4 CN1C=NC=C1N MCULE-2778216793 [2,0,0,0,0,0|2,0,0]=4 344 B7R1.4 CN1C=NC=C1N MCULE-2990193139 [2,0,0,0,0,0|2,0,0]=4 345 B7R1.4 CN1C=NC=C1N MCULE-9123603511 [2,0,0,0,0,0|2,0,0]=4 346 B7R1.4 CN1C=NNC1=O MCULE-2122203722 [2,0,0,0,0,0|2,0,0]=4 347 B7R1.4 CN1CC=CC1=O MCULE-7879549885 [2,0,0,0,0,0|0,0,1]=3 348 B7R1.4 CN1N=CC=C1Br MCULE-7101001570 [2,0,0,0,0,0|2,0,0]=4 349 B7R1.4 CN1N=CC=C1Cl MCULE-8962391076 [2,0,0,0,0,0|2,0,0]=4 350 B7R1.4 CN1N=CC=C1F MCULE-6023753197 [2,0,0,0,0,0|2,0,0]=4 351 B7R1.4 CN1N=CC=C1I MCULE-2407065536 [2,0,0,0,0,0|2,0,0]=4 352 B7R1.4 CN1N=CC=C1N MCULE-1453941617 [2,0,0,0,0,0|2,0,0]=4 353 B7R1.4 CN1N=CC=C1N MCULE-2315795709 [2,0,0,0,0,0|2,0,0]=4 354 B7R1.4 CN1N=CC=C1O MCULE-1012956210 [2,0,0,0,0,0|1,0,1]=4 355 B7R1.4 CN1N=CC=C1O MCULE-9024912006 [2,0,0,0,0,0|1,0,1]=4 356 B7R1.4 CN1N=CCC1=O MCULE-2362806196 [2,0,0,0,0,0|1,0,1]=4 357 B7R1.4 CN1NC=CC1=O MCULE-4425265471 [2,0,0,0,0,0|1,0,0]=3 358 B7R1.4 CN1NC=NC1=O MCULE-2476320995 [2,0,0,0,0,0|2,0,0]=4 359 B7R1.4 CN1SC=CC1=O MCULE-3887229553 [2,0,0,0,0,0|1,0,0]=3 360 B7R1.4 CN1SC=CC1=O MCULE-5825912822 [2,0,0,0,0,0|1,0,0]=3 361 B7R1.4 CN1SC=CC1=S MCULE-4327458448 [2,0,0,0,0,0|1,1,0]=4 362 B7R1.2 C=C1C=CC(=O)O1 MCULE-1046353319 [2,0,0,0,0,0|2,0,0]=4 363 B7R1.2 CC1=CC=C(N1)C MCULE-2630115640 [2,0,0,0,0,0|2,0,0]=4 364 B7R1.2 CC1=CC=C(N1)Cl MCULE-6650692655 [2,0,0,0,0,0|2,0,0]=4 365 B7R1.2 CC1=CNC(=O)N1 MCULE-7571832495 [2,0,0,0,0,0|2,0,0]=4 366 B7R1.2 CC1=CSC(=O)N1 MCULE-6083480700 [2,0,0,0,0,0|2,0,0]=4 367 B7R1.2 O=C1C=CC(=O)C1 MCULE-7662591278 [2,0,0,0,0,0|1,0,0]=3 368 B7R1.2 O=C1C=CC(=O)N1 MCULE-3677915339 [2,0,0,0,0,0|0,0,0]=2 369 B7R1.2 O=C1C=CC(=O)O1 MCULE-5322674641 [2,0,0,0,0,0|1,0,0]=3 370 B7R1.2 O=C1CCC(=O)N1 MCULE-8278049979 [2,0,0,0,0,0|0,0,2]=4 371 B7R1.2 O=C1CNC(=O)N1 MCULE-6812812243 [2,0,0,0,0,0|1,0,1]=4 372 B7R1.2 O=C1COC(=O)N1 MCULE-3103815953 [2,0,0,0,0,0|1,0,1]=4 373 B7R1.2 O=C1CSC(=O)N1 MCULE-8206580994 [2,0,0,0,0,0|1,0,1]=4 374 B7R1.2 O=C1NC(=CS1)O MCULE-2237666080 [2,0,0,0,0,0|1,0,1]=4 375 B7R1.2 O=C1NNC(=O)N1 MCULE-5611157961 [2,0,0,0,0,0|2,0,0]=4 376 B7R1.2 O=C1NOC(=O)N1 MCULE-5599103299 [2,0,0,0,0,0|2,0,0]=4 377 B9R0.5 C(=C/C=C/C(=O)OCC)\C MCULE-3576105065 [0,1,1,0,0,0|2,0,0]=4 378 B9R0.5 CC=CC=CC(=O)OCC MCULE-7644578303 [0,1,1,0,0,0|2,0,0]=4 379 B9R0.34 CCOC(=O)/C=C(\C)/C=O MCULE-1211370029 [0,1,1,0,0,0|1,0,0]=3 380 B9R0.34 CCOC(=O)C=C(C)C=O MCULE-9091554191 [0,1,1,0,0,0|1,0,0]=3 381 B9R0.35 C=CC=C(C)C(=O)OCC MCULE-8012059875 [0,1,1,0,0,0|2,0,0]=4 382 B9R0.35 CCOC(=O)C(=S)NC=O MCULE-1805699765 [0,1,1,0,0,0|2,0,0]=4 383 B9R0.48 C=C(C)C=CC(=O)OCC MCULE-4545651414 [0,1,1,0,0,0|2,0,0]=4 384 B9R0.48 CCNC(=O)C=CC(=O)O MCULE-3469131343 [0,1,1,0,0,0|0,0,0]=2 385 B9R0.48 CCNC(=O)CCC(=O)O MCULE-1979773964 [0,1,1,0,0,0|0,0,2]=4 386 B9R0.48 CCOC(=O)/C=C/C(=O)C MCULE-1277426448 [0,1,1,0,0,0|1,0,0]=3 387 B9R0.48 CCOC(=O)/C=C/C(=O)O MCULE-2354207944 [0,1,1,0,0,0|1,0,0]=3 388 B9R0.48 CCOC(=O)/C=C/N(=O)=O MCULE-2776366889 [0,1,1,0,0,0|2,0,0]=4 389 B9R0.48 CCOC(=O)/C=C\C(=O)O MCULE-9139116808 [0,1,1,0,0,0|1,0,0]=3 390 B9R0.48 CCOC(=O)C=CC(=O)C MCULE-7029387078 [0,1,1,0,0,0|1,0,0]=3 391 B9R0.48 CCOC(=O)C=CC(=O)Cl MCULE-9896065168 [0,1,1,0,0,0|1,0,0]=3 392 B9R0.48 CCOC(=O)C=CC(=O)O MCULE-7475947730 [0,1,1,0,0,0|1,0,0]=3 393 B9R0.48 CCOC(=O)C=CC(=O)[O-] MCULE-3490373917 [0,1,1,0,0,0|1,0,0]=3 394 B9R0.41 C=C(C)C(=O)N(CC)CC MCULE-6157133971 [0,1,1,0,0,0|1,0,1]=4 395 B9R1.14 C#CC1=CC=NN1CC MCULE-4465286841 [1,1,0,0,0,0|2,0,0]=4 396 B9R1.14 C#CC1=NC=CN1CC MCULE-3162703226 [1,1,0,0,0,0|2,0,0]=4 397 B9R1.14 C=CN1C=CC=C1C=O MCULE-6206798976 [1,1,0,0,0,0|0,0,2]=4 398 B9R1.14 CCC1=CC=NN1CC MCULE-9680838155 [1,1,0,0,0,0|2,0,0]=4 399 B9R1.14 CCN1C=CC=C1C#N MCULE-1369523917 [1,1,0,0,0,0|1,0,0]=3 400 B9R1.14 CCN1C=CC=C1C=O MCULE-8123073528 [1,1,0,0,0,0|0,0,0]=2 401 B9R1.14 CCN1C=CC=C1CS MCULE-8369116586 [1,1,0,0,0,0|0,1,0]=3 402 B9R1.14 CCN1C=CN=C1C#N MCULE-4640420891 [1,1,0,0,0,0|2,0,0]=4 403 B9R1.14 CCN1C=CN=C1C=O MCULE-8093493884 [1,1,0,0,0,0|1,0,0]=3 404 B9R1.14 CCN1C=CN=C1CBr MCULE-5100853540 [1,1,0,0,0,0|2,0,0]=4 405 B9R1.14 CCN1C=CN=C1CBr MCULE-7009878854 [1,1,0,0,0,0|2,0,0]=4 406 B9R1.14 CCN1C=CN=C1CCl MCULE-1750997857 [1,1,0,0,0,0|2,0,0]=4 407 B9R1.14 CCN1C=CN=C1CCl MCULE-5386067677 [1,1,0,0,0,0|2,0,0]=4 408 B9R1.14 CCN1C=CN=C1CN MCULE-1184575082 [1,1,0,0,0,0|2,0,0]=4 409 B9R1.14 CCN1C=CN=C1CN MCULE-7396928993 [1,1,0,0,0,0|2,0,0]=4 410 B9R1.14 CCN1C=CN=C1CO MCULE-3695393720 [1,1,0,0,0,0|1,0,1]=4 411 B9R1.14 CCN1C=CN=C1NN MCULE-5447323365 [1,1,0,0,0,0|2,0,0]=4 412 B9R1.14 CCN1C=CN=C1NN MCULE-5487958699 [1,1,0,0,0,0|2,0,0]=4 413 B9R1.14 CCN1C=NC=C1C=O MCULE-8161647894 [1,1,0,0,0,0|1,0,0]=3 414 B9R1.14 CCN1C=NC=C1C=O MCULE-9726886265 [1,1,0,0,0,0|1,0,0]=3 415 B9R1.14 CCN1C=NC=C1CCl MCULE-4363599377 [1,1,0,0,0,0|2,0,0]=4 416 B9R1.14 CCN1C=NC=C1CCl MCULE-8517378307 [1,1,0,0,0,0|2,0,0]=4 417 B9R1.14 CCN1C=NC=C1CN MCULE-2872011749 [1,1,0,0,0,0|2,0,0]=4 418 B9R1.14 CCN1C=NC=C1CN MCULE-7697819520 [1,1,0,0,0,0|2,0,0]=4 419 B9R1.14 CCN1C=NC=C1CO MCULE-2117952932 [1,1,0,0,0,0|1,0,1]=4 420 B9R1.14 CCN1C=NC=C1CO MCULE-8555304978 [1,1,0,0,0,0|1,0,1]=4 421 B9R1.14 CCN1N=CC=C1C#N MCULE-6744175121 [1,1,0,0,0,0|2,0,0]=4 422 B9R1.14 CCN1N=CC=C1C=O MCULE-7877231011 [1,1,0,0,0,0|1,0,0]=3 423 B9R1.14 CCN1N=CC=C1CCl MCULE-2001370477 [1,1,0,0,0,0|2,0,0]=4 424 B9R1.14 CCN1N=CC=C1CCl MCULE-5768597801 [1,1,0,0,0,0|2,0,0]=4 425 B9R1.14 CCN1N=CC=C1CN MCULE-4158399344 [1,1,0,0,0,0|2,0,0]=4 426 B9R1.14 CCN1N=CC=C1CN MCULE-7188734171 [1,1,0,0,0,0|2,0,0]=4 427 B9R1.14 CCN1N=CC=C1CO MCULE-3181317210 [1,1,0,0,0,0|1,0,1]=4 428 B9R1.14 CCN1N=CC=C1NN MCULE-2538642746 [1,1,0,0,0,0|2,0,0]=4 429 B9R1.14 CCN1N=CC=C1NN MCULE-6889135377 [1,1,0,0,0,0|2,0,0]=4 430 B9R1.14 CCN1N=CN=C1C=O MCULE-7118754230 [1,1,0,0,0,0|2,0,0]=4 431 B9R1.22 CC1=CC(=O)N(O1)CCl MCULE-4023145562 [1,1,0,0,0,0|2,0,0]=4 432 B9R1.22 CCN1C=C(C=C1N)C MCULE-9902484503 [1,1,0,0,0,0|1,0,0]=3 433 B9R1.22 CCN1CC(=O)NC1=O MCULE-1851701594 [1,1,0,0,0,0|1,0,1]=4 434 B9R1.22 CCN1N=C(C=C1Br)Br MCULE-5913142059 [1,1,0,0,0,0|2,0,0]=4 435 B9R1.22 CCN1N=C(C=C1Br)N MCULE-1422542733 [1,1,0,0,0,0|2,0,0]=4 436 B9R1.22 CCN1N=C(C=C1C)Br MCULE-7045553855 [1,1,0,0,0,0|2,0,0]=4 437 B9R1.22 CCN1N=C(C=C1C)C MCULE-8661344525 [1,1,0,0,0,0|2,0,0]=4 438 B9R1.22 CCN1N=C(C=C1C)I MCULE-6429182315 [1,1,0,0,0,0|2,0,0]=4 439 B9R1.22 CCN1N=C(C=C1C)N MCULE-7045780395 [1,1,0,0,0,0|2,0,0]=4 440 B9R1.22 CCN1N=C(C=C1F)C MCULE-4171590707 [1,1,0,0,0,0|2,0,0]=4 441 B9R1.22 CCN1N=C(C=C1I)N MCULE-5484442530 [1,1,0,0,0,0|2,0,0]=4 442 B9R1.22 CCN1N=C(C=C1N)Br MCULE-4964053446 [1,1,0,0,0,0|2,0,0]=4 443 B9R1.22 CCN1N=C(C=C1N)C MCULE-1328253726 [1,1,0,0,0,0|2,0,0]=4 444 B9R1.22 CCN1N=C(C=C1N)I MCULE-2844744593 [1,1,0,0,0,0|2,0,0]=4 445 B9R1.22 CCN1N=C(CC1=O)C MCULE-4203337078 [1,1,0,0,0,0|1,0,1]=4 446 B9R1.22 CCN1N=C(NC1=O)Br MCULE-5545771475 [1,1,0,0,0,0|2,0,0]=4 447 B9R1.33 C=CCN1C=CC=C1C MCULE-4161467112 [1,1,0,0,0,0|1,0,1]=4 448 B9R1.33 CC1=CC=CN1CCN MCULE-7628909389 [1,1,0,0,0,0|1,0,0]=3 449 B9R1.33 CC1=CC=CN1CCO MCULE-6284632361 [1,1,0,0,0,0|1,0,0]=3 450 B9R1.33 CC1=CC=NN1CCBr MCULE-7000401112 [1,1,0,0,0,0|2,0,0]=4 451 B9R1.33 CC1=CC=NN1CCCl MCULE-7045320046 [1,1,0,0,0,0|2,0,0]=4 452 B9R1.33 CC1=CC=NN1CCF MCULE-4018054136 [1,1,0,0,0,0|2,0,0]=4 453 B9R1.33 CC1=CC=NN1CCN MCULE-7619701122 [1,1,0,0,0,0|2,0,0]=4 454 B9R1.33 CC1=CC=NN1CCN MCULE-9705263303 [1,1,0,0,0,0|2,0,0]=4 455 B9R1.33 CC1=CC=NN1CCO MCULE-1096065667 [1,1,0,0,0,0|2,0,0]=4 456 B9R1.33 CC1=NC=CN1CCBr MCULE-4911424629 [1,1,0,0,0,0|2,0,0]=4 457 B9R1.33 CC1=NC=CN1CCBr MCULE-8673256719 [1,1,0,0,0,0|2,0,0]=4 458 B9R1.33 CC1=NC=CN1CCCl MCULE-4246607321 [1,1,0,0,0,0|2,0,0]=4 459 B9R1.33 CC1=NC=CN1CCCl MCULE-8933796045 [1,1,0,0,0,0|2,0,0]=4 460 B9R1.33 CC1=NC=CN1CCN MCULE-2891289087 [1,1,0,0,0,0|2,0,0]=4 461 B9R1.33 CC1=NC=CN1CCN MCULE-5202960364 [1,1,0,0,0,0|2,0,0]=4 462 B9R1.33 CC1=NC=CN1CCN MCULE-8096996078 [1,1,0,0,0,0|2,0,0]=4 463 B9R1.33 CC1=NC=CN1CCN MCULE-8783565509 [1,1,0,0,0,0|2,0,0]=4 464 B9R1.33 CC1=NC=CN1CCO MCULE-6577538423 [1,1,0,0,0,0|2,0,0]=4 465 B9R1.33 CC1=NC=CN1CCO MCULE-7727197092 [1,1,0,0,0,0|2,0,0]=4 466 B9R1.33 CCCN1C=CN=C1S MCULE-1362253657 [1,1,0,0,0,0|1,1,0]=4 467 B9R1.33 CCCN1N=CC=C1Br MCULE-4290797449 [1,1,0,0,0,0|2,0,0]=4 468 B9R1.33 CCCN1N=CC=C1C MCULE-5834936942 [1,1,0,0,0,0|2,0,0]=4 469 B9R1.33 CCCN1N=CC=C1F MCULE-8221822295 [1,1,0,0,0,0|2,0,0]=4 470 B9R1.33 CCCN1N=CC=C1I MCULE-7514765349 [1,1,0,0,0,0|2,0,0]=4 471 B9R1.33 CCCN1N=CC=C1N MCULE-8824424117 [1,1,0,0,0,0|2,0,0]=4 472 B9R1.33 NC1=CC=NN1CCF MCULE-2167865985 [1,1,0,0,0,0|2,0,0]=4 473 B9R1.33 NC1=CC=NN1CCF MCULE-6186486594 [1,1,0,0,0,0|2,0,0]=4 474 B9R1.33 NC1=CC=NN1CCO MCULE-6873805931 [1,1,0,0,0,0|2,0,0]=4 475 B9R1.33 O=C1NC=CN1CCCl MCULE-5294942602 [1,1,0,0,0,0|1,0,0]=3 476 B9R1.41 CC(=O)N1C=CC=C1Br MCULE-4023339296 [1,1,0,0,0,0|1,0,1]=4 477 B9R1.41 CC(=O)N1C=COC1=O MCULE-6512538062 [1,1,0,0,0,0|1,0,1]=4 478 B9R1.41 CC(C)N1C=CN=C1Br MCULE-2990951735 [1,1,0,0,0,0|2,0,0]=4 479 B9R1.41 CC(C)N1C=CN=C1Br MCULE-9153521206 [1,1,0,0,0,0|2,0,0]=4 480 B9R1.41 CC(C)N1C=CN=C1Cl MCULE-2604260262 [1,1,0,0,0,0|2,0,0]=4 481 B9R1.41 CC(C)N1C=CN=C1N MCULE-3057056200 [1,1,0,0,0,0|2,0,0]=4 482 B9R1.41 CC(C)N1C=CN=C1S MCULE-9896649670 [1,1,0,0,0,0|1,1,0]=4 483 B9R1.41 CC(C)N1C=NC=C1Br MCULE-9009985373 [1,1,0,0,0,0|2,0,0]=4 484 B9R1.41 CC(C)N1N=CC=C1Br MCULE-7160508128 [1,1,0,0,0,0|2,0,0]=4 485 B9R1.41 CC(C)N1N=CC=C1F MCULE-7693041850 [1,1,0,0,0,0|2,0,0]=4 486 B9R1.41 CC(C)N1N=CC=C1I MCULE-3982502025 [1,1,0,0,0,0|2,0,0]=4 487 B9R1.41 CC(C)N1N=CC=C1N MCULE-4632775745 [1,1,0,0,0,0|2,0,0]=4 488 B9R1.41 CC(C)N1N=CC=C1O MCULE-9546876190 [1,1,0,0,0,0|1,0,1]=4 489 B9R1.41 CC(C)N1NC=CC1=O MCULE-6711755667 [1,1,0,0,0,0|1,0,0]=3 490 B9R1.41 CC1=CC=NN1C(C)C MCULE-4699307730 [1,1,0,0,0,0|2,0,0]=4 491 B9R1.41 CC1=CN=CN1C(C)C MCULE-4275182920 [1,1,0,0,0,0|2,0,0]=4 492 B9R1.41 CC1=NC=CN1C(C)C MCULE-9864606354 [1,1,0,0,0,0|2,0,0]=4 493 B9R1.132 CCN1C=C[N+](=C1C)C MCULE-1096172775 [1,1,0,0,0,0|2,0,0]=4 494 B9R1.132 CCN1C=C[N+](=C1C)C MCULE-4747702215 [1,1,0,0,0,0|2,0,0]=4 495 B9R1.132 CCN1C=C[N+](=C1C)C MCULE-5028526706 [1,1,0,0,0,0|2,0,0]=4 496 B9R1.132 CCN1C=C[N+](=C1C)C MCULE-7278163693 [1,1,0,0,0,0|2,0,0]=4 497 B9R1.132 CCN1C=NC(=C1Br)C MCULE-6878228581 [1,1,0,0,0,0|2,0,0]=4 498 B9R1.132 CCN1C=NC(=C1C)Br MCULE-2020107666 [1,1,0,0,0,0|2,0,0]=4 499 B9R1.132 CCN1C=NC(=C1C)Cl MCULE-4300914282 [1,1,0,0,0,0|2,0,0]=4 500 B9R1.132 CCN1C=NC(=C1C)I MCULE-3507353892 [1,1,0,0,0,0|2,0,0]=4 501 B9R1.132 CCN1C=NC(=C1Cl)C MCULE-6246695545 [1,1,0,0,0,0|2,0,0]=4 502 B9R1.132 CCN1C=NC(=C1I)C MCULE-3650414069 [1,1,0,0,0,0|2,0,0]=4 503 B9R1.132 CCN1CCC(=O)C1=O MCULE-7001636786 [1,1,0,0,0,0|0,0,2]=4 504 B9R1.132 CCN1N=CC(=C1C)Br MCULE-6680504938 [1,1,0,0,0,0|2,0,0]=4 505 B9R1.132 CCN1N=CC(=C1C)Cl MCULE-3468403670 [1,1,0,0,0,0|2,0,0]=4 506 B9R1.132 CCN1N=CC(=C1C)I MCULE-1806526933 [1,1,0,0,0,0|2,0,0]=4 507 B9R1.132 CCN1N=CC(=C1C)N MCULE-1923546681 [1,1,0,0,0,0|2,0,0]=4 508 B9R1.132 CCN1N=CC(=C1C)N MCULE-5608335799 [1,1,0,0,0,0|2,0,0]=4 509 B9R1.132 CCN1N=CC(=C1C)N MCULE-9649225025 [1,1,0,0,0,0|2,0,0]=4 510 B9R1.132 CCN1N=CC(=C1C)O MCULE-2415979635 [1,1,0,0,0,0|2,0,0]=4 511 B9R1.132 CCN1N=CC(=C1F)Br MCULE-6430196122 [1,1,0,0,0,0|2,0,0]=4 512 B9R1.132 CCN1N=CC(=C1F)I MCULE-6510719632 [1,1,0,0,0,0|2,0,0]=4 513 B9R1.132 CCN1N=CC(=C1N)C MCULE-6417202265 [1,1,0,0,0,0|2,0,0]=4 514 B9R1.132 CCN1N=CN(C1=O)N MCULE-4659849847 [1,1,0,0,0,0|2,0,0]=4 515 B9R1.37 CC1=C(N(C(=O)N1)C)C MCULE-4200291906 [1,1,0,0,0,0|2,0,0]=4 516 B9R1.37 CC1=C(N(C(=O)N1)C)C MCULE-6554777788 [1,1,0,0,0,0|2,0,0]=4 517 B9R1.37 CC1=CC(=O)N(C1=O)N MCULE-1955900673 [1,1,0,0,0,0|1,0,0]=3 518 B9R1.37 CC1=CC(=O)N(C1=O)N MCULE-3848588925 [1,1,0,0,0,0|1,0,0]=3 519 B9R1.37 CC1NC(=O)N(C1=O)C MCULE-9574379568 [1,1,0,0,0,0|1,0,1]=4 520 B9R1.37 CN1C(=O)C=C(C1=O)Br MCULE-6711543006 [1,1,0,0,0,0|0,0,0]=2 521 B9R1.37 CN1C(=O)C=C(C1=O)N MCULE-4181324260 [1,1,0,0,0,0|0,0,0]=2 522 B9R1.37 CN1C(=O)CC(C1=O)N MCULE-1881097860 [1,1,0,0,0,0|0,0,2]=4 523 B9R1.37 CN1C(=O)CC(C1=O)N MCULE-9743249390 [1,1,0,0,0,0|0,0,2]=4 524 B9R1.37 CN1C(=O)CC(C1=O)O MCULE-4159978894 [1,1,0,0,0,0|0,0,2]=4 525 B9R1.37 CN1C(=O)C[C@@H](C1=O)N MCULE-4253353358 [1,1,0,0,0,0|0,0,2]=4 526 B9R1.37 CN1C(=O)C[C@@H](C1=O)N MCULE-8722122900 [1,1,0,0,0,0|0,0,2]=4 527 B9R1.37 CN1C(=O)C[C@@H](C1=O)O MCULE-4702742954 [1,1,0,0,0,0|0,0,2]=4 528 B9R1.37 CN1C(=O)NC(=O)C1=O MCULE-3910177119 [1,1,0,0,0,0|1,0,0]=3 529 B9R1.37 CN1CC(=O)N(C1=O)C MCULE-4679697256 [1,1,0,0,0,0|1,0,1]=4 530 B9R1.37 NN1C(=O)NC(=O)C1=O MCULE-8303778577 [1,1,0,0,0,0|2,0,0]=4 531 B11R1.8 CC1=CC(=O)C=C(C1=O)CO MCULE-9365654804 [0,1,0,0,0,1|2,0,0]=4 532 B11R1.8 CCN1C=C(C=C(C1=O)Br)Br MCULE-9512282886 [0,1,0,0,0,1|1,0,0]=3 533 B11R1.8 CCN1C=C(C=C(C1=O)C)Br MCULE-2513723615 [0,1,0,0,0,1|1,0,0]=3 534 B11R1.8 CCN1C=C(C=C(C1=O)C)N MCULE-8275707054 [0,1,0,0,0,1|1,0,0]=3 535 B11R1.8 CCN1C=C(C=C(C1=O)Cl)Br MCULE-2726986917 [0,1,0,0,0,1|1,0,0]=3 536 B11R1.8 CCN1C=C(C=C(C1=O)N)Br MCULE-4011684876 [0,1,0,0,0,1|1,0,0]=3 537 B11R1.8 CCN1N=C(C=C(C1=O)Br)Cl MCULE-9727628008 [0,1,0,0,0,1|1,0,0]=3 538 B11R1.8 COC1=CC(=O)C=C(C1=O)C MCULE-7885190865 [0,1,0,0,0,1|2,0,0]=4 539 B11R1.37 CCC1=C(C=CC(=C1)Cl)C=O MCULE-1052669484 [0,1,0,0,0,1|2,0,0]=4 540 B11R1.37 CCC1=C(C=CC(=C1)O)C=O MCULE-1662805752 [0,1,0,0,0,1|1,0,1]=4 541 B11R1.37 CCC1=C(C=CC(=N1)C)C=O MCULE-7317444569 [0,1,0,0,0,1|2,0,0]=4 542 B11R1.37 CCC1=C(C=CC(=N1)C)C=O MCULE-8953049836 [0,1,0,0,0,1|2,0,0]=4 543 B11R1.37 CCC1=CC(=CC=C1C=O)Br MCULE-8546202309 [0,1,0,0,0,1|2,0,0]=4 544 B11R1.37 CCC1=CC(=CC=C1C=O)I MCULE-6122930540 [0,1,0,0,0,1|2,0,0]=4 545 B11R1.167 CC(C)N1C=C(C=CC1=O)Br MCULE-9092598570 [0,1,0,0,0,1|1,0,0]=3 546 B11R1.167 CC(C)N1C=C(C=CC1=O)N MCULE-5320241488 [0,1,0,0,0,1|1,0,0]=3 547 B11R1.167 CC(C)N1C=C(C=NC1=O)Br MCULE-2213234143 [0,1,0,0,0,1|2,0,0]=4 548 B11R1.167 CC(C)N1C=C(N=CC1=O)Br MCULE-9859488889 [0,1,0,0,0,1|2,0,0]=4 549 B11R1.167 CC(C)N1N=C(C=CC1=O)Br MCULE-4368373230 [0,1,0,0,0,1|1,0,0]=3 550 B11R1.167 O=C1C=CC(=CN1C(F)F)Br MCULE-9493346653 [0,1,0,0,0,1|2,0,0]=4 551 B11R1.182 C=CCN1N=C(C=CC1=O)C MCULE-9517337675 [0,1,0,0,0,1|1,0,1]=4 552 B11R1.182 CC1=NN(C(=O)C=C1)CCN MCULE-8915599941 [0,1,0,0,0,1|1,0,0]=3 553 B11R1.182 CCCN1C=C(C=CC1=O)N MCULE-2485387724 [0,1,0,0,0,1|1,0,0]=3 554 B11R1.182 CCCN1C=C(C=CC1=O)N MCULE-3081074407 [0,1,0,0,0,1|1,0,0]=3 555 B11R1.182 CCCN1N=C(C=CC1=O)O MCULE-3113796444 [0,1,0,0,0,1|0,0,1]=3 556 B11R1.182 COCN1C=C(C=CC1=O)N MCULE-5452927518 [0,1,0,0,0,1|1,0,0]=3 557 B11R1.182 N#CCN1C=C(C=CC1=O)Cl MCULE-1578059209 [0,1,0,0,0,1|1,0,1]=4 558 B11R1.182 N#CCN1C=C(C=CC1=O)N MCULE-1943517705 [0,1,0,0,0,1|1,0,1]=4 559 B11R1.182 NC1=CN(C(=O)C=C1)CCO MCULE-8931352828 [0,1,0,0,0,1|1,0,0]=3 560 B11R1.182 NCCN1C=C(C=CC1=O)Br MCULE-3632941416 [0,1,0,0,0,1|1,0,0]=3 561 B11R1.182 NCCN1C=C(C=CC1=O)Br MCULE-6079222031 [0,1,0,0,0,1|1,0,0]=3 562 B11R1.182 NCCN1NC(=O)C=CC1=O MCULE-7380359618 [0,1,0,0,0,1|0,0,0]=2 563 B11R1.182 NCCN1NC(=O)C=CC1=O MCULE-7634394906 [0,1,0,0,0,1|0,0,0]=2 564 B11R1.182 O=C1C=CC(=NN1CCO)O MCULE-3597093676 [0,1,0,0,0,1|0,0,1]=3 565 B11R1.277 CC1=CC(=O)C(=CC1=O)CO MCULE-6376506039 [0,1,0,0,0,1|2,0,0]=4 566 B11R1.277 COC1=CC(=O)C(=CC1=O)Br MCULE-4170996145 [0,1,0,0,0,1|2,0,0]=4 567 B11R1.277 COC1=CC(=O)C(=CC1=O)C MCULE-6678984310 [0,1,0,0,0,1|2,0,0]=4 568 B11R1.280 CCC1=C(C=CC(=C1)C=O)C MCULE-6917797898 [0,1,0,0,0,1|2,0,0]=4 569 B11R1.280 CCC1=C(C=CC(=C1)C=O)O MCULE-9538753077 [0,1,0,0,0,1|1,0,1]=4 570 B11R1.280 CCC1=CC(=CC=C1Cl)C=O MCULE-3648043645 [0,1,0,0,0,1|2,0,0]=4 571 B11R1.280 CCC1=CC(=CC=C1F)C=O MCULE-3427827421 [0,1,0,0,0,1|2,0,0]=4 572 B11R1.156 O=C1C=CNC(=O)N1N(=O)=O MCULE-3940862259 [0,1,0,0,0,1|2,0,0]=4 573 B11R1.265 CCC1=C(C=CC=C1C=O)Br MCULE-4036035629 [0,1,0,0,0,1|2,0,0]=4 574 B11R1.265 CCC1=C(C=CC=C1Cl)C=O MCULE-4191933944 [0,1,0,0,0,1|2,0,0]=4 575 B11R1.265 CCC1=C(C=NC=C1Br)C=O MCULE-4659366893 [0,1,0,0,0,1|2,0,0]=4 576 B11R1.464 CCC1C(=O)NC(=O)NC1=O MCULE-8814164989 [0,1,0,0,0,1|2,0,0]=4 577 B11R1.464 CCN1C(=O)C=C(C=C1C)O MCULE-3339773839 [0,1,0,0,0,1|1,0,0]=3 578 B11R1.464 CCN1C(=O)C=C(NC1=O)Cl MCULE-2133837307 [0,1,0,0,0,1|0,0,0]=2 579 B11R1.464 CCN1C(=O)CC(=O)NC1=O MCULE-2482375358 [0,1,0,0,0,1|0,0,1]=3 580 B11R1.464 CCN1C(=O)CC(=O)NC1=S MCULE-4994427435 [0,1,0,0,0,1|0,1,1]=4 581 B11R1.464 CCN1C(=O)N=C(C=C1O)O MCULE-6743102536 [0,1,0,0,0,1|0,0,1]=3 582 B11R1.464 CCN1C(=O)NC(=O)C=C1N MCULE-1912257453 [0,1,0,0,0,1|1,0,0]=3 583 B11R1.464 CCN1C(=O)NC(=O)C=C1[O-] MCULE-6067127716 [0,1,0,0,0,1|0,0,1]=3 584 B11R1.464 CCN1C(=S)NC(=O)C=C1N MCULE-2245817039 [0,1,0,0,0,1|1,1,0]=4 585 B11R1.464 CON1C(=O)C=C(N=C1C)C MCULE-1143654475 [0,1,0,0,0,1|2,0,0]=4 586 B11R1.605 C=CCN1C(=O)C=CC=C1Br MCULE-8467721622 [0,1,0,0,0,1|1,0,1]=4 587 B11R1.605 NCCN1C(=O)CCCC1=O MCULE-1121840225 [0,1,0,0,0,1|0,0,2]=4 588 B11R1.605 NCCN1C(=O)CCCC1=O MCULE-4258204679 [0,1,0,0,0,1|0,0,2]=4 589 B11R1.465 C#CCCN1C(=O)CCC1=O MCULE-5229373560 [0,2,0,0,0,0|0,0,2]=4 590 B11R1.465 CCCCN1C(=O)C=CC1=O MCULE-3078317428 [0,2,0,0,0,0|0,0,0]=2 591 B11R1.465 CNCCN1C(=O)CCC1=O MCULE-4208096159 [0,2,0,0,0,0|0,0,2]=4 592 B11R1.465 CNCCN1C(=O)CCC1=O MCULE-4257805119 [0,2,0,0,0,0|0,0,2]=4 593 B11R1.465 COCCN1C(=O)C=CC1=O MCULE-1248785503 [0,2,0,0,0,0|0,0,0]=2 594 B11R1.465 N#CCCN1C(=O)C=CC1=O MCULE-7794169933 [0,2,0,0,0,0|0,0,0]=2 595 B11R1.465 N#CCCN1C(=O)CSC1=O MCULE-1528294808 [0,2,0,0,0,0|1,0,1]=4 596 B11R1.465 NCCCN1C(=O)C=CC1=O MCULE-3480352309 [0,2,0,0,0,0|0,0,0]=2 597 B11R1.465 NCCCN1C(=O)C=CC1=O MCULE-4151742756 [0,2,0,0,0,0|0,0,0]=2 598 B11R1.465 NCCCN1C(=O)C=CC1=O MCULE-5913994325 [0,2,0,0,0,0|0,0,0]=2 599 B11R1.465 NCCCN1C(=O)CCC1=O MCULE-4086561319 [0,2,0,0,0,0|0,0,2]=4 600 B11R1.465 NCCCN1C(=O)CCC1=O MCULE-8647495086 [0,2,0,0,0,0|0,0,2]=4 601 B11R1.465 NCCCN1C(=O)CNC1=O MCULE-5154629318 [0,2,0,0,0,0|1,0,1]=4 602 B11R1.465 NCCCN1C(=O)CNC1=O MCULE-9326046744 [0,2,0,0,0,0|1,0,1]=4 603 B11R1.465 O=C1C=CC(=O)N1CCCBr MCULE-7903218660 [0,2,0,0,0,0|0,0,0]=2 604 B11R1.465 O=C1C=CC(=O)N1CCCO MCULE-7505082119 [0,2,0,0,0,0|0,0,0]=2 605 B11R1.465 O=C1CCC(=O)N1CCCBr MCULE-2309121474 [0,2,0,0,0,0|0,0,2]=4 606 B11R1.465 O=C1CCC(=O)N1CCCCl MCULE-9330606331 [0,2,0,0,0,0|0,0,2]=4 607 B11R1.465 O=C1CCC(=O)N1CCCO MCULE-8213368726 [0,2,0,0,0,0|0,0,2]=4 608 B11R1.465 O=C1CNC(=O)N1CCCCl MCULE-7557632634 [0,2,0,0,0,0|1,0,1]=4 609 B11R1.465 O=C1CNC(=O)N1CCCO MCULE-1633589910 [0,2,0,0,0,0|1,0,1]=4 610 B11R1.495 C=C(C)CN1C(=O)CCC1=O MCULE-4012779604 [0,2,0,0,0,0|0,0,2]=4 611 B11R1.495 C=C(C)CN1C(=O)CSC1=O MCULE-1469800060 [0,2,0,0,0,0|1,0,1]=4 612 B11R1.495 CC(=O)CN1C(=O)CCC1=O MCULE-2644034739 [0,2,0,0,0,0|0,0,2]=4 613 B11R1.495 CC(C)CN1C(=O)C=CC1=O MCULE-6498407063 [0,2,0,0,0,0|0,0,0]=2 614 B11R1.495 CC(C)CN1C(=O)CNC1=O MCULE-6601924393 [0,2,0,0,0,0|1,0,1]=4 615 B11R1.495 CC1=CC=C(N1CC(C)C)C MCULE-7973832816 [0,2,0,0,0,0|2,0,0]=4 616 B11R1.495 CN(C)CN1C(=O)CSC1=O MCULE-1595332501 [0,2,0,0,0,0|1,0,1]=4 617 B11R1.495 O=C(O)CN1C(=O)C=CC1=O MCULE-6583900581 [0,2,0,0,0,0|0,0,1]=3 618 B11R1.598 C=CCN1C(=O)NC(=O)C1=O MCULE-4834127352 [0,2,0,0,0,0|1,0,1]=4 619 B11R1.598 CC1NC(=O)N(C1=O)CCCl MCULE-9896410254 [0,2,0,0,0,0|1,0,1]=4 620 B11R1.598 CCCN1C(=O)NC(=O)C1=O MCULE-1291887289 [0,2,0,0,0,0|1,0,0]=3 621 B11R1.598 CCCN1C(=O)NN(C1=O)C MCULE-7175135426 [0,2,0,0,0,0|2,0,0]=4 622 B11R1.598 CN1CC(=O)N(C1=O)CCCl MCULE-4318882867 [0,2,0,0,0,0|1,0,1]=4 623 B11R1.875 COC(=O)N1C(=O)C=CC1=O MCULE-8636437714 [0,2,0,0,0,0|0,0,1]=3 624 B11R1.496 CC(C)(C)N1C(=O)C=CC1=O MCULE-8370590041 [0,2,0,0,0,0|0,0,0]=2 625 B11R1.673 CC(=O)C1C(=O)C=C(C1=O)C MCULE-3393820020 [0,2,0,0,0,0|1,0,1]=4 626 B11R1.673 CC(C)N1C(=O)NC(=O)C1=O MCULE-7518139455 [0,2,0,0,0,0|1,0,0]=3 627 B11R1.426 CCN1C(=O)NC(C1=O)(C)C MCULE-1261172417 [0,2,0,0,0,0|1,0,1]=4 628 B11R1.976 CCN1C(=NC(=C1Br)Br)C=O MCULE-5064517765 [0,2,0,0,0,0|2,0,0]=4 629 B11R1.976 CCN1C(=NC(=C1Br)C)C=O MCULE-8400717631 [0,2,0,0,0,0|2,0,0]=4 630 B11R1.976 CCN1C(=NC(=C1C)Br)C=O MCULE-1027870636 [0,2,0,0,0,0|2,0,0]=4 631 B11R1.976 CCN1C(=NC(=C1C)C)C=O MCULE-4945343582 [0,2,0,0,0,0|2,0,0]=4 632 B11R1.976 CCN1C(=NC(=C1C)Cl)C=O MCULE-1046086411 [0,2,0,0,0,0|2,0,0]=4 633 B11R1.978 CCN1C(=CC(=C1C)C=O)C MCULE-3528218493 [0,2,0,0,0,0|2,0,0]=4 634 B11R1.978 CCN1C(=O)C(=NO)SC1=S MCULE-3657319544 [0,2,0,0,0,0|1,1,0]=4 635 B11R1.64 CCN1C(=CN=C1Br)C(=O)O MCULE-1992772024 [0,2,0,0,0,0|2,0,0]=4 636 B11R1.64 CCN1C(=CN=C1Br)C(=O)[O-] MCULE-9287911844 [0,2,0,0,0,0|2,0,0]=4 637 B11R1.64 CCN1C(=CN=C1C(=O)O)C MCULE-7197777461 [0,2,0,0,0,0|2,0,0]=4 638 B11R1.64 CCN1C(=CN=C1O)C(=O)O MCULE-5342660844 [0,2,0,0,0,0|1,0,1]=4 639 B11R1.380 CCN1C(=CN=C1SC)C=O MCULE-9818748910 [0,2,0,0,0,0|1,1,0]=4 640 B9R1.2 O=CC1=CC(=O)NC=C1 MCULE-5001480578 [0,0,1,1,0,0|0,0,2]=4 641 B9R1.8 CCNC1=CC=CC=C1 MCULE-4900118020 [0,0,1,1,0,0|2,0,0]=4 642 B9R1.8 CCNC1=CC=CC=N1 MCULE-3397237645 [0,0,1,1,0,0|2,0,0]=4 643 B9R1.8 CCNC1=CN=CC=C1 MCULE-1344786137 [0,0,1,1,0,0|2,0,0]=4 644 B9R1.8 CCNC1=NN=CC=C1 MCULE-8156174849 [0,0,1,1,0,0|2,0,0]=4 645 B9R1.49 O=C1CCNC(=O)CC1 MCULE-7393024422 [0,0,1,1,0,0|0,0,2]=4 646 B9R1.69 CC1=C(C=CC(=O)N1)Br MCULE-4521117941 [0,0,1,1,0,0|1,0,1]=4 647 B9R1.69 CC1=C(C=CC(=O)N1)F MCULE-7194077740 [0,0,1,1,0,0|1,0,1]=4 648 B9R1.69 CC1=C(C=CC(=O)N1)I MCULE-5617997142 [0,0,1,1,0,0|1,0,1]=4 649 B9R1.69 CC1=C(NC(=O)C=C1)C MCULE-4420397888 [0,0,1,1,0,0|1,0,1]=4 650 B9R1.69 CC1=CC(=O)C=CC1=O MCULE-9650878933 [0,0,1,1,0,0|1,0,1]=4 651 B9R1.69 CC1NC(=O)CNC1=O MCULE-3674832613 [0,0,1,1,0,0|1,0,1]=4 652 B9R1.69 CC1NC(=O)CNC1=O MCULE-9058910414 [0,0,1,1,0,0|1,0,1]=4 653 B9R1.69 C[C@@H]1NC(=O)CNC1=O MCULE-2449320004 [0,0,1,1,0,0|1,0,1]=4 654 B9R1.69 C[C@@H]1NC(=O)CNC1=O MCULE-7629090482 [0,0,1,1,0,0|1,0,1]=4 655 B9R1.69 C[C@H]1NC(=O)CNC1=O MCULE-5376605309 [0,0,1,1,0,0|1,0,1]=4 656 B9R1.11 C=CC(=O)N1CCCC1 MCULE-9314569500 [0,0,1,1,0,0|1,0,1]=4 657 B9R2.3 C1=CN2CCCC2=N1 MCULE-3501869016 [1,0,0,1,0,0|2,0,0]=4 658 B9R2.3 C1=CN2CCC[N+]2=C1 MCULE-1840259802 [1,0,0,1,0,0|2,0,0]=4 659 B9R2.3 C1=CN2CCC[N+]2=C1 MCULE-6483280272 [1,0,0,1,0,0|2,0,0]=4 660 B9R2.3 C1=CN2CCNC2=N1 MCULE-5044818377 [1,0,0,1,0,0|2,0,0]=4 661 B9R2.3 C1=NN2CCCC2=C1 MCULE-9797096326 [1,0,0,1,0,0|2,0,0]=4 662 B9R2.3 C1=NN2CCNC2=C1 MCULE-9806834926 [1,0,0,1,0,0|2,0,0]=4 663 B9R2.20 CC1=CC=[N+]2N1CC2 MCULE-1819818089 [1,0,0,1,0,0|2,0,0]=4 664 B11R2.36 BrC1=CN2CCN=C2C=C1 MCULE-4466898127 [0,0,0,1,0,1|2,0,0]=4 665 B11R2.36 O=C1C=CC2=C(N1)CCC2 MCULE-7683045217 [0,0,0,1,0,1|2,0,0]=4 666 B11R2.106 BrC1=CN=CC2=NCCN12 MCULE-4279289423 [0,0,0,1,0,1|2,0,0]=4 667 B11R2.106 BrC1=CN=CC2=NCCN12 MCULE-7712586276 [0,0,0,1,0,1|2,0,0]=4 668 B11R2.106 O=C1C=CC=C2N1CCN2 MCULE-4326783239 [0,0,0,1,0,1|1,0,0]=3 669 B11R2.106 O=C1C=CC=C2N1CCN2 MCULE-6392509344 [0,0,0,1,0,1|1,0,0]=3 670 B11R2.106 O=C1C=CNC2=C1CCC2 MCULE-2361200724 [0,0,0,1,0,1|2,0,0]=4 671 B11R2.106 O=C1N=CC=C2N1CCC2 MCULE-1780961177 [0,0,0,1,0,1|1,0,0]=3 672 B11R2.106 O=C1N=CC=C2N1CCC2 MCULE-7353079467 [0,0,0,1,0,1|1,0,0]=3 673 B11R2.106 O=C1NC=CC2=C1CCO2 MCULE-2750061530 [0,0,0,1,0,1|1,0,1]=4 674 B11R2.1 BrC1=CC=C2N1CCNC2 MCULE-5050115001 [0,1,0,1,0,0|2,0,0]=4 675 B11R2.1 CC1=CC=C2N1CCNC2 MCULE-2922051993 [0,1,0,1,0,0|2,0,0]=4 676 B11R2.206 CC1=CC=C(N1C2CC2)C MCULE-4884888037 [0,1,0,1,0,0|2,0,0]=4 677 B11R2.206 O=C1C=CC(=O)N1C2CC2 MCULE-4538326978 [0,1,0,1,0,0|0,0,0]=2 678 B11R2.206 O=C1CNC(=O)N1C2CC2 MCULE-6346191950 [0,1,0,1,0,0|1,0,1]=4 679 B11R2.202 NC1=CC(=O)N2N1CCC2 MCULE-3124700238 [0,1,0,1,0,0|2,0,0]=4 680 B11R2.202 NC1=CC(=O)N2N1CCC2 MCULE-6732359499 [0,1,0,1,0,0|2,0,0]=4 681 B11R2.191 O=CC1=CC=C2N1CCC2 MCULE-1259121904 [0,1,0,1,0,0|1,0,0]=3 682 B11R2.191 O=CC1=CN=C2N1CCC2 MCULE-7171965493 [0,1,0,1,0,0|2,0,0]=4 683 B9R1.3 CC1=C(C(=O)C=CN1)C MCULE-5006486359 [1,0,0,0,0,1|2,0,0]=4 684 B9R1.3 CC1=C(C=CNC1=O)Br MCULE-3583219107 [1,0,0,0,0,1|2,0,0]=4 685 B9R1.3 CC1=C(C=CNC1=O)O MCULE-7417449946 [1,0,0,0,0,1|1,0,1]=4 686 B9R1.3 CC1=C(C=COC1=O)O MCULE-7131969886 [1,0,0,0,0,1|1,0,1]=4 687 B9R1.3 CC1=C(OC=CC1=O)O MCULE-9658440057 [1,0,0,0,0,1|1,0,1]=4 688 B9R1.3 CN1C(=O)C=CC=C1Br MCULE-9204623492 [1,0,0,0,0,1|1,0,0]=3 689 B9R1.3 CN1C(=O)C=CC=C1Cl MCULE-9231681198 [1,0,0,0,0,1|1,0,0]=3 690 B9R1.3 CN1C(=O)C=CC=C1N MCULE-2055741339 [1,0,0,0,0,1|1,0,0]=3 691 B9R1.3 CN1C(=O)C=CC=C1N MCULE-8809604678 [1,0,0,0,0,1|1,0,0]=3 692 B9R1.3 CN1C(=O)C=CN=C1N MCULE-3426992585 [1,0,0,0,0,1|1,0,0]=3 693 B9R1.3 CN1C(=O)C=CNC1=O MCULE-5392412214 [1,0,0,0,0,1|0,0,0]=2 694 B9R1.3 CN1C(=O)C=CNC1=S MCULE-1210464407 [1,0,0,0,0,1|0,1,0]=3 695 B9R1.3 CN1C(=O)C=NC=C1Cl MCULE-6752384652 [1,0,0,0,0,1|1,0,0]=3 696 B9R1.3 CN1C(=O)C=NNC1=O MCULE-6864350387 [1,0,0,0,0,1|1,0,0]=3 697 B9R1.3 CN1C(=O)CCCC1=O MCULE-4787684091 [1,0,0,0,0,1|0,0,2]=4 698 B9R1.3 CN1C(=O)CNCC1=O MCULE-1069132233 [1,0,0,0,0,1|0,0,2]=4 699 B9R1.3 CN1C(=O)CNCC1=O MCULE-4060585109 [1,0,0,0,0,1|0,0,2]=4 700 B9R1.3 CN1C(=O)CNCC1=O MCULE-8726062423 [1,0,0,0,0,1|0,0,2]=4 701 B9R1.3 CN1C(=O)N=CC=C1N MCULE-4228941810 [1,0,0,0,0,1|1,0,0]=3 702 B9R1.3 NN1C(=O)C=NNC1=O MCULE-5939036900 [1,0,0,0,0,1|2,0,0]=4