0 B13R1.417 C/N=C(\NC)/NCC1=CC=CC=C1 MCULE-9446905385 [0,0,0,0,0,0|0,0,0]=0 1 B13R1.417 CCC(CC)NCC1=CC=CC=C1 MCULE-5852379102 [0,0,0,0,0,0|2,0,1]=3 2 B13R1.417 CCC(CC)NCC1=CC=CC=C1 MCULE-7582814670 [0,0,0,0,0,0|2,0,1]=3 3 B13R1.417 CCC(CO)NCC1=CC=CC=C1 MCULE-6580520884 [0,0,0,0,0,0|3,0,1]=4 4 B13R1.417 CCN(CC)CCC1=CC=CC=C1 MCULE-3494426061 [0,0,0,0,0,0|4,0,0]=4 5 B13R1.417 CC[C@@H](CO)NCC1=CC=CC=C1 MCULE-7833788524 [0,0,0,0,0,0|3,0,1]=4 6 B13R1.417 CC[C@H](CO)NCC1=CC=CC=C1 MCULE-5686723932 [0,0,0,0,0,0|3,0,1]=4 7 B13R1.417 CC[C@H](CO)NCC1=CC=CC=C1 MCULE-9717291640 [0,0,0,0,0,0|3,0,1]=4 8 B13R1.417 CNC(=NCC1=CC=CC=C1)NC MCULE-5845249184 [0,0,0,0,0,0|0,0,2]=2 9 B13R1.417 COC(CCC1=CC=CC=C1)OC MCULE-8766195319 [0,0,0,0,0,0|3,0,1]=4 10 B13R1.417 N(CC1=CC=CC=C1)C(CC)CO MCULE-4607008080 [0,0,0,0,0,0|3,0,1]=4 11 B12R1.27 C#CC(=O)NCC1=CC=CC=C1 MCULE-1198687722 [1,0,0,0,0,0|2,0,1]=4 12 B12R1.27 C/C(=N/O)/C=C/C1=CC=CC=C1 MCULE-1994376123 [1,0,0,0,0,0|2,0,1]=4 13 B12R1.27 C=CC(=O)NCC1=CC=CC=C1 MCULE-3032410941 [1,0,0,0,0,0|2,0,1]=4 14 B12R1.27 CC(=NO)C=CC1=CC=CC=C1 MCULE-5760575133 [1,0,0,0,0,0|2,0,1]=4 15 B12R1.27 CC(C#N)NCC1=CC=CC=C1 MCULE-3836119845 [1,0,0,0,0,0|2,0,1]=4 16 B12R1.27 CC(CO)NCC1=CC=CC=C1 MCULE-1902857827 [1,0,0,0,0,0|2,0,1]=4 17 B12R1.27 CC(CO)NCC1=CC=CC=C1 MCULE-3055324759 [1,0,0,0,0,0|2,0,1]=4 18 B12R1.27 CCC(=O)CCC1=CC=CC=C1 MCULE-8657578743 [1,0,0,0,0,0|3,0,0]=4 19 B12R1.27 CCC(=O)NCC1=CC=CC=C1 MCULE-7839045376 [1,0,0,0,0,0|2,0,0]=3 20 B12R1.27 CCC(=O)NNC1=CC=CC=C1 MCULE-1690055210 [1,0,0,0,0,0|3,0,0]=4 21 B12R1.27 CCC(=O)OCC1=CC=CC=C1 MCULE-6579799733 [1,0,0,0,0,0|3,0,0]=4 22 B12R1.27 CCC(C)NCC1=CC=CN=C1 MCULE-8108961945 [1,0,0,0,0,0|2,0,1]=4 23 B12R1.27 CCC(C)NCC1=CC=CN=C1 MCULE-8948096701 [1,0,0,0,0,0|2,0,1]=4 24 B12R1.27 CCC(C)NCC1=CC=CN=C1 MCULE-9283875621 [1,0,0,0,0,0|2,0,1]=4 25 B12R1.27 CCC(C)NCC1=CC=NC=C1 MCULE-2477559863 [1,0,0,0,0,0|2,0,1]=4 26 B12R1.27 CCC(C)NCC1=CC=NC=C1 MCULE-8591950640 [1,0,0,0,0,0|2,0,1]=4 27 B12R1.27 CCC(C)NCC1=CC=NC=C1 MCULE-9029431302 [1,0,0,0,0,0|2,0,1]=4 28 B12R1.27 CCC(C)NCC1=NC=CC=C1 MCULE-6053871210 [1,0,0,0,0,0|2,0,1]=4 29 B12R1.27 CCC(C)NCC1=NC=CC=C1 MCULE-7061534280 [1,0,0,0,0,0|2,0,1]=4 30 B12R1.27 CCC(C)NCC1=NC=CC=C1 MCULE-8706090574 [1,0,0,0,0,0|2,0,1]=4 31 B12R1.27 CCC(C)SCC1=CC=CC=C1 MCULE-9859345744 [1,0,0,0,0,0|2,0,1]=4 32 B12R1.27 CCC(N)CCC1=CC=CC=C1 MCULE-2546669799 [1,0,0,0,0,0|2,0,1]=4 33 B12R1.27 CNC(=N)SCC1=CC=CC=N1 MCULE-2917803315 [1,0,0,0,0,0|2,0,0]=3 34 B12R1.27 CNC(=N)SCC1=CC=CC=N1 MCULE-9856016199 [1,0,0,0,0,0|2,0,0]=3 35 B12R1.27 CNC(=O)C=CC1=CC=CC=C1 MCULE-9520300155 [1,0,0,0,0,0|2,0,1]=4 36 B12R1.27 CNC(=O)CCC1=CC=CC=C1 MCULE-3807954819 [1,0,0,0,0,0|2,0,0]=3 37 B12R1.27 CNC(=O)COC1=CC=CC=C1 MCULE-3668298777 [1,0,0,0,0,0|3,0,0]=4 38 B12R1.27 CNC(=O)NCC1=CC=NC=C1 MCULE-5187280144 [1,0,0,0,0,0|2,0,0]=3 39 B12R1.27 CNC(=O)NCC1=CN=CC=C1 MCULE-5373703874 [1,0,0,0,0,0|2,0,0]=3 40 B12R1.27 CNC(=O)NCC1=NC=CC=C1 MCULE-2136264551 [1,0,0,0,0,0|2,0,0]=3 41 B12R1.27 CNC(=S)NCC1=CC=CC=C1 MCULE-4017693178 [1,0,0,0,0,0|1,0,0]=2 42 B12R1.27 CNC(=S)NCC1=CC=CN=C1 MCULE-5523767052 [1,0,0,0,0,0|2,0,0]=3 43 B12R1.27 CNC(=S)NCC1=CC=NC=C1 MCULE-7572357759 [1,0,0,0,0,0|2,0,0]=3 44 B12R1.27 CNC(=S)NNC1=CC=CC=C1 MCULE-9948608421 [1,0,0,0,0,0|2,0,0]=3 45 B12R1.27 CNC(C)C=CC1=CC=CC=C1 MCULE-8486679145 [1,0,0,0,0,0|1,0,2]=4 46 B12R1.27 CNC(C)CCC1=CC=CN=C1 MCULE-2703596345 [1,0,0,0,0,0|2,0,1]=4 47 B12R1.27 CNC(C)CSC1=CC=CC=C1 MCULE-1190858566 [1,0,0,0,0,0|2,0,1]=4 48 B12R1.27 CNC(C)CSC1=CC=CC=C1 MCULE-4700783260 [1,0,0,0,0,0|2,0,1]=4 49 B12R1.27 COC(=O)CCC1=CC=CC=C1 MCULE-1647522263 [1,0,0,0,0,0|3,0,0]=4 50 B12R1.27 COC(=O)NCC1=CC=CC=C1 MCULE-4950997948 [1,0,0,0,0,0|2,0,0]=3 51 B12R1.27 CSC(=S)NCC1=CC=CN=C1 MCULE-3480846263 [1,0,0,0,0,0|3,0,0]=4 52 B12R1.27 C[C@@H](CN)NCC1=CC=CC=C1 MCULE-9251171065 [1,0,0,0,0,0|2,0,1]=4 53 B12R1.27 C[C@@H](CO)NCC1=CC=CC=C1 MCULE-6124782827 [1,0,0,0,0,0|2,0,1]=4 54 B12R1.27 C[C@@H](CO)NCC1=CC=CC=C1 MCULE-9966908901 [1,0,0,0,0,0|2,0,1]=4 55 B12R1.27 C[C@H](CO)NCC1=CC=CC=C1 MCULE-7444198296 [1,0,0,0,0,0|2,0,1]=4 56 B12R1.27 C[C@H](CO)NCC1=CC=CC=C1 MCULE-9319805277 [1,0,0,0,0,0|2,0,1]=4 57 B12R1.27 N#CC(=O)NCC1=CC=CC=C1 MCULE-7415794579 [1,0,0,0,0,0|3,0,0]=4 58 B12R1.27 N/C(=N\O)/COC1=CC=CC=C1 MCULE-7017178957 [1,0,0,0,0,0|3,0,0]=4 59 B12R1.27 NCC(=O)NCC1=CC=CC=C1 MCULE-7579204027 [1,0,0,0,0,0|3,0,0]=4 60 B12R1.27 NCC(=O)NCC1=CC=CC=C1 MCULE-9300471193 [1,0,0,0,0,0|3,0,0]=4 61 B12R1.27 NNC(=O)CCC1=CC=CC=C1 MCULE-6089875983 [1,0,0,0,0,0|3,0,0]=4 62 B12R1.27 NNC(=O)NCC1=CC=CC=C1 MCULE-9850485264 [1,0,0,0,0,0|2,0,0]=3 63 B12R1.27 NNC(=O)OCC1=CC=CC=C1 MCULE-1650875098 [1,0,0,0,0,0|3,0,0]=4 64 B12R1.27 NNC(=O)OCC1=CC=CC=C1 MCULE-6569393445 [1,0,0,0,0,0|3,0,0]=4 65 B12R1.27 NNC(=S)NCC1=CC=CC=C1 MCULE-4080081512 [1,0,0,0,0,0|2,0,0]=3 66 B12R1.27 NNC(=S)NCC1=CC=CC=C1 MCULE-6910253414 [1,0,0,0,0,0|2,0,0]=3 67 B12R1.27 NNC(=S)NCC1=CN=CC=C1 MCULE-1736425879 [1,0,0,0,0,0|3,0,0]=4 68 B12R1.27 O=C(CBr)NCC1=CC=CC=C1 MCULE-2602504848 [1,0,0,0,0,0|3,0,0]=4 69 B12R1.27 O=C(CCC1=CC=CC=C1)NO MCULE-1964924561 [1,0,0,0,0,0|3,0,0]=4 70 B12R1.27 O=C(CCl)NCC1=CC=CC=C1 MCULE-8776040788 [1,0,0,0,0,0|3,0,0]=4 71 B12R1.27 O=C(CO)NCC1=CC=CC=C1 MCULE-4708335371 [1,0,0,0,0,0|3,0,0]=4 72 B12R1.27 O=C(NO)NNC1=CC=CC=C1 MCULE-1384654171 [1,0,0,0,0,0|3,0,0]=4 73 B12R1.27 O=C(NO)OCC1=CC=CC=C1 MCULE-1476264710 [1,0,0,0,0,0|3,0,0]=4 74 B14R1.58 CCC(CC)NC(C)C1=CC=CC=C1 MCULE-3224831390 [0,1,0,0,0,0|2,0,1]=4 75 B14R1.387 CCC(CC)NCC1=C(C=CC=C1)F MCULE-5226076479 [0,1,0,0,0,0|2,0,1]=4 76 B14R1.387 CCC(CC)NCC1=CC=CC=C1F MCULE-9976977575 [0,1,0,0,0,0|2,0,1]=4 77 B14R1.979 CS/C(=N\C#N)/NCC1=CC=CN=C1 MCULE-1410111662 [0,1,0,0,0,0|2,0,1]=4 78 B14R1.979 CS/C(=N\C#N)/NCC1=NC=CC=C1 MCULE-4679611254 [0,1,0,0,0,0|2,0,1]=4 79 B14R2.8 CNC1=NC=C(S1)C2=CC=CC=C2 MCULE-6441172522 [0,0,0,1,0,0|1,0,2]=4 80 B14R2.8 CNC1=NN=C(N1)C2=CC=CC=C2 MCULE-3430198474 [0,0,0,1,0,0|1,0,1]=3 81 B14R2.8 CNC1=NN=C(S1)C2=CC=CC=C2 MCULE-5599075029 [0,0,0,1,0,0|2,0,1]=4 82 B14R2.8 CNC1=NN=C(S1)C2=CC=CC=C2 MCULE-8030103452 [0,0,0,1,0,0|2,0,1]=4 83 B14R2.8 CNC1=NNC(=C1)C2=CC=CC=C2 MCULE-2330586269 [0,0,0,1,0,0|2,0,1]=4 84 B14R2.8 CNC1=NNC(=N1)C2=CC=CC=C2 MCULE-5058244621 [0,0,0,1,0,0|1,0,2]=4 85 B14R2.101 C1=CC=C(C=C1)CCC2=NN=NN2 MCULE-4327866165 [0,0,0,1,0,0|3,0,0]=4 86 B14R2.101 C1=CC=C(C=C1)CCC2CCCN2 MCULE-1628514057 [0,0,0,1,0,0|2,0,1]=4 87 B14R2.101 C1=CC=C(C=C1)CCC2CCCN2 MCULE-1792176547 [0,0,0,1,0,0|2,0,1]=4 88 B14R2.101 C1=CC=C(C=C1)CNC2=NC=CS2 MCULE-8862690955 [0,0,0,1,0,0|1,0,2]=4 89 B14R2.101 C1=CC=C(C=C1)CNC2=NC=NN2 MCULE-3490223343 [0,0,0,1,0,0|1,0,1]=3 90 B14R2.101 C1=CC=C(C=C1)CNC2=NCCS2 MCULE-6075849252 [0,0,0,1,0,0|1,0,0]=2 91 B14R2.101 C1=CC=C(C=C1)CNC2=NN=NS2 MCULE-9857537699 [0,0,0,1,0,0|3,0,0]=4 92 B14R2.101 C1=CC=C(C=C1)CNC2CCCC2 MCULE-3140896612 [0,0,0,1,0,0|2,0,1]=4 93 B14R2.101 C1=CC=C(C=C1)CNC2CCCC2 MCULE-9344280550 [0,0,0,1,0,0|2,0,1]=4 94 B14R2.101 C1=CC=C(C=C1)CSC2=NC=CN2 MCULE-1268477577 [0,0,0,1,0,0|1,0,2]=4 95 B14R2.101 C1=CC=C(C=C1)CSC2=NC=NN2 MCULE-5425858738 [0,0,0,1,0,0|2,0,1]=4 96 B14R2.101 C1=CC=C(C=C1)CSC2=NCCN2 MCULE-9148915555 [0,0,0,1,0,0|1,0,0]=2 97 B14R2.101 C1=CC=C(C=C1)CSC2=NCCN2 MCULE-9370129434 [0,0,0,1,0,0|1,0,0]=2 98 B14R2.101 C1=CC=C(C=C1)CSC2=NCCS2 MCULE-7366505693 [0,0,0,1,0,0|2,0,0]=3 99 B14R2.101 C1=CC=C(C=C1)CSC2=NN=NN2 MCULE-1594408671 [0,0,0,1,0,0|3,0,0]=4 100 B12R1.118 CCC(CC1=CC=CC=C1)NC MCULE-5916511171 [0,0,0,0,1,0|1,0,1]=3 101 B12R1.118 CCC(CC1=CC=CC=C1)NC MCULE-8454963527 [0,0,0,0,1,0|1,0,1]=3 102 B12R1.118 CCN(CC)CC1=CC=CC=C1 MCULE-2195466082 [0,0,0,0,1,0|3,0,0]=4 103 B12R1.118 CCN(CC)CC1=CC=CC=C1 MCULE-2533903029 [0,0,0,0,1,0|3,0,0]=4 104 B12R1.118 CCN(CC)CC1=CC=CC=C1 MCULE-5495752463 [0,0,0,0,1,0|3,0,0]=4 105 B12R1.118 CNC(CO)CC1=CC=CC=C1 MCULE-4409548873 [0,0,0,0,1,0|2,0,1]=4 106 B12R1.118 CNC(CO)CC1=CC=CC=C1 MCULE-5404762474 [0,0,0,0,1,0|2,0,1]=4 107 B12R1.118 CNC(CO)CC1=CC=CC=C1 MCULE-9786835624 [0,0,0,0,1,0|2,0,1]=4 108 B12R1.118 CN[C@H](CO)CC1=CC=CC=C1 MCULE-1522871407 [0,0,0,0,1,0|2,0,1]=4 109 B12R1.118 CN[C@H](CO)CC1=CC=CC=C1 MCULE-3105559329 [0,0,0,0,1,0|2,0,1]=4 110 B12R1.118 COC(CC1=CC=CC=C1)OC MCULE-3172556321 [0,0,0,0,1,0|2,0,1]=4 111 B14R1.546 CCC(=NCCC1=CC=CC=C1)CC MCULE-2066403410 [0,0,0,0,0,1|2,0,1]=4 112 B14R1.546 CCC(CC)NCCC1=CC=CC=C1 MCULE-2073086177 [0,0,0,0,0,1|2,0,1]=4 113 B14R1.546 CCC(CC)NCCC1=CC=CC=C1 MCULE-3345544986 [0,0,0,0,0,1|2,0,1]=4 114 B14R1.546 COC(CNCC1=CC=CC=C1)OC MCULE-7118563063 [0,0,0,0,0,1|2,0,1]=4 115 B11R1.28 CCCNCC1=CC=CC=C1 MCULE-4008327563 [2,0,0,0,0,0|1,0,1]=4 116 B11R1.28 CCCNCC1=CC=CC=C1 MCULE-7507545744 [2,0,0,0,0,0|1,0,1]=4 117 B11R1.28 CCONCC1=CC=CC=C1 MCULE-4929250954 [2,0,0,0,0,0|2,0,0]=4 118 B11R1.28 CNCCCC1=CC=CC=C1 MCULE-5668199111 [2,0,0,0,0,0|1,0,1]=4 119 B11R1.28 CNCCCC1=CC=CC=C1 MCULE-5780862362 [2,0,0,0,0,0|1,0,1]=4 120 B11R1.28 ON=CCCC1=CC=CC=C1 MCULE-7247417046 [2,0,0,0,0,0|2,0,0]=4 121 B11R1.91 C=C(C)CCC1=CC=CC=C1 MCULE-2990252396 [2,0,0,0,0,0|1,0,1]=4 122 B11R1.91 C=C(C)OCC1=CC=CC=C1 MCULE-9253229966 [2,0,0,0,0,0|1,0,1]=4 123 B11R1.91 CC(=CCC1=CC=CC=C1)C MCULE-6894689571 [2,0,0,0,0,0|1,0,0]=3 124 B11R1.91 CC(=CSC1=CC=CC=C1)C MCULE-2813813789 [2,0,0,0,0,0|2,0,0]=4 125 B11R1.91 CC(=N)NCC1=CC=CC=C1 MCULE-1620218963 [2,0,0,0,0,0|0,0,0]=2 126 B11R1.91 CC(=N)NCC1=CC=CC=C1 MCULE-8833975625 [2,0,0,0,0,0|0,0,0]=2 127 B11R1.91 CC(=N)SCC1=CC=CC=C1 MCULE-2830681415 [2,0,0,0,0,0|1,0,0]=3 128 B11R1.91 CC(=N)SCC1=CC=CC=C1 MCULE-3429191250 [2,0,0,0,0,0|1,0,0]=3 129 B11R1.91 CC(=NNC1=CC=CC=C1)C MCULE-5590733746 [2,0,0,0,0,0|1,0,1]=4 130 B11R1.91 CC(=O)CCC1=CC=CC=C1 MCULE-1136231603 [2,0,0,0,0,0|2,0,0]=4 131 B11R1.91 CC(=O)NCC1=CC=CC=C1 MCULE-2051924381 [2,0,0,0,0,0|1,0,0]=3 132 B11R1.91 CC(=O)NCC1=CC=NC=C1 MCULE-8645049472 [2,0,0,0,0,0|2,0,0]=4 133 B11R1.91 CC(=O)NCC1=CN=CC=C1 MCULE-8882042703 [2,0,0,0,0,0|2,0,0]=4 134 B11R1.91 CC(=O)NCC1=NC=CC=C1 MCULE-3133975600 [2,0,0,0,0,0|2,0,0]=4 135 B11R1.91 CC(=O)NCC1=NC=CC=C1 MCULE-5622133685 [2,0,0,0,0,0|2,0,0]=4 136 B11R1.91 CC(=O)NNC1=CC=CC=C1 MCULE-5989143063 [2,0,0,0,0,0|2,0,0]=4 137 B11R1.91 CC(=O)OCC1=CC=CC=C1 MCULE-7952998506 [2,0,0,0,0,0|2,0,0]=4 138 B11R1.91 CC(=S)NCC1=CC=CC=C1 MCULE-3109655156 [2,0,0,0,0,0|1,0,0]=3 139 B11R1.91 CC(C)CCC1=CC=CC=C1 MCULE-4070401105 [2,0,0,0,0,0|1,0,1]=4 140 B11R1.91 CC(C)NCC1=CC=CC=C1 MCULE-3535531096 [2,0,0,0,0,0|0,0,1]=3 141 B11R1.91 CC(C)NCC1=CC=CC=C1 MCULE-4035303181 [2,0,0,0,0,0|0,0,1]=3 142 B11R1.91 CC(C)NCC1=CC=CN=C1 MCULE-2060868238 [2,0,0,0,0,0|1,0,1]=4 143 B11R1.91 CC(C)NCC1=CC=CN=C1 MCULE-6585034208 [2,0,0,0,0,0|1,0,1]=4 144 B11R1.91 CC(C)NCC1=CC=CN=C1 MCULE-8831261255 [2,0,0,0,0,0|1,0,1]=4 145 B11R1.91 CC(C)NCC1=CC=NC=C1 MCULE-4414623722 [2,0,0,0,0,0|1,0,1]=4 146 B11R1.91 CC(C)NCC1=CC=NC=C1 MCULE-8929604900 [2,0,0,0,0,0|1,0,1]=4 147 B11R1.91 CC(C)NCC1=CC=NC=C1 MCULE-9930527959 [2,0,0,0,0,0|1,0,1]=4 148 B11R1.91 CC(C)NCC1=NC=CC=C1 MCULE-4475966400 [2,0,0,0,0,0|1,0,1]=4 149 B11R1.91 CC(C)NCC1=NC=CC=C1 MCULE-5719415680 [2,0,0,0,0,0|1,0,1]=4 150 B11R1.91 CC(C)NCC1=NC=CC=C1 MCULE-7004101973 [2,0,0,0,0,0|1,0,1]=4 151 B11R1.91 CC(C)OCC1=CC=CC=C1 MCULE-6126754514 [2,0,0,0,0,0|1,0,1]=4 152 B11R1.91 CC(C)SCC1=CC=CC=C1 MCULE-2882370038 [2,0,0,0,0,0|1,0,1]=4 153 B11R1.91 CC(N)CCC1=CC=CC=C1 MCULE-8780190200 [2,0,0,0,0,0|1,0,1]=4 154 B11R1.91 CN(C)CCC1=CC=CC=C1 MCULE-1696230069 [2,0,0,0,0,0|2,0,0]=4 155 B11R1.91 CN(C)CCC1=CC=CC=C1 MCULE-7456671409 [2,0,0,0,0,0|2,0,0]=4 156 B11R1.91 CN(C)NCC1=CC=CC=C1 MCULE-3955095931 [2,0,0,0,0,0|1,0,0]=3 157 B11R1.91 CN(C)NCC1=CC=CC=C1 MCULE-6031251263 [2,0,0,0,0,0|1,0,0]=3 158 B11R1.91 C[C@@H](N)CCC1=CC=CC=C1 MCULE-3014014292 [2,0,0,0,0,0|1,0,1]=4 159 B11R1.91 C[C@H](N)CCC1=CC=CC=C1 MCULE-6029467007 [2,0,0,0,0,0|1,0,1]=4 160 B11R1.91 N=C(N)C=CC1=CC=CC=C1 MCULE-6366105470 [2,0,0,0,0,0|1,0,1]=4 161 B11R1.91 N=C(N)C=CC1=CC=CC=C1 MCULE-8127898605 [2,0,0,0,0,0|1,0,1]=4 162 B11R1.91 N=C(N)CCC1=CC=CC=C1 MCULE-3670139370 [2,0,0,0,0,0|1,0,0]=3 163 B11R1.91 N=C(N)CCC1=CC=CC=C1 MCULE-9569405514 [2,0,0,0,0,0|1,0,0]=3 164 B11R1.91 N=C(N)CCC1=CN=CC=C1 MCULE-6283877498 [2,0,0,0,0,0|2,0,0]=4 165 B11R1.91 N=C(N)CCC1=NC=CC=C1 MCULE-8138398243 [2,0,0,0,0,0|2,0,0]=4 166 B11R1.91 N=C(N)CCC1=NC=CC=C1 MCULE-9220159999 [2,0,0,0,0,0|2,0,0]=4 167 B11R1.91 N=C(N)COC1=CC=CC=C1 MCULE-2324789233 [2,0,0,0,0,0|2,0,0]=4 168 B11R1.91 N=C(N)COC1=CC=CC=C1 MCULE-8412140796 [2,0,0,0,0,0|2,0,0]=4 169 B11R1.91 N=C(N)CSC1=CC=CC=C1 MCULE-3237560312 [2,0,0,0,0,0|2,0,0]=4 170 B11R1.91 N=C(N)CSC1=CC=CC=C1 MCULE-6891706369 [2,0,0,0,0,0|2,0,0]=4 171 B11R1.91 N=C(N)NCC1=CC=CC=C1 MCULE-1999057378 [2,0,0,0,0,0|0,0,0]=2 172 B11R1.91 N=C(N)NCC1=CC=CC=C1 MCULE-7043542693 [2,0,0,0,0,0|0,0,0]=2 173 B11R1.91 N=C(N)NCC1=CC=CC=C1 MCULE-8415890377 [2,0,0,0,0,0|0,0,0]=2 174 B11R1.91 N=C(N)NCC1=CC=CN=C1 MCULE-3177900373 [2,0,0,0,0,0|1,0,0]=3 175 B11R1.91 N=C(N)NCC1=CC=CN=C1 MCULE-7145756176 [2,0,0,0,0,0|1,0,0]=3 176 B11R1.91 N=C(N)NCC1=CC=NC=C1 MCULE-2808988134 [2,0,0,0,0,0|1,0,0]=3 177 B11R1.91 N=C(N)NCC1=CC=NC=C1 MCULE-6303598609 [2,0,0,0,0,0|1,0,0]=3 178 B11R1.91 N=C(N)NCC1=CC=NC=C1 MCULE-7298802406 [2,0,0,0,0,0|1,0,0]=3 179 B11R1.91 N=C(N)NCC1=CN=CC=C1 MCULE-3308204444 [2,0,0,0,0,0|1,0,0]=3 180 B11R1.91 N=C(N)NCC1=NC=CC=C1 MCULE-1744935022 [2,0,0,0,0,0|1,0,0]=3 181 B11R1.91 N=C(N)OCC1=CC=CC=C1 MCULE-9880051094 [2,0,0,0,0,0|1,0,0]=3 182 B11R1.91 N=C(N)SCC1=CC=CC=C1 MCULE-2727300494 [2,0,0,0,0,0|1,0,0]=3 183 B11R1.91 N=C(N)SCC1=CC=CC=C1 MCULE-9265876579 [2,0,0,0,0,0|1,0,0]=3 184 B11R1.91 N=C(N)SCC1=CC=CC=C1 MCULE-9966047767 [2,0,0,0,0,0|1,0,0]=3 185 B11R1.91 N=C(N)SCC1=CC=CN=C1 MCULE-2536896899 [2,0,0,0,0,0|2,0,0]=4 186 B11R1.91 N=C(N)SCC1=CC=CN=C1 MCULE-9433490444 [2,0,0,0,0,0|2,0,0]=4 187 B11R1.91 N=C(N)SCC1=CC=NC=C1 MCULE-1560789916 [2,0,0,0,0,0|2,0,0]=4 188 B11R1.91 N=C(N)SCC1=NC=CC=C1 MCULE-1755466437 [2,0,0,0,0,0|2,0,0]=4 189 B11R1.91 N=C(N)SCC1=NC=CC=C1 MCULE-5860006301 [2,0,0,0,0,0|2,0,0]=4 190 B11R1.91 NC(=NCC1=CC=CC=C1)N MCULE-7538846735 [2,0,0,0,0,0|0,0,2]=4 191 B11R1.91 NC(=O)CCC1=CC=CC=C1 MCULE-3588566414 [2,0,0,0,0,0|2,0,0]=4 192 B11R1.91 NC(=O)NCC1=CC=CC=C1 MCULE-8856820054 [2,0,0,0,0,0|1,0,0]=3 193 B11R1.91 NC(=O)NCC1=CN=CC=C1 MCULE-4904155902 [2,0,0,0,0,0|2,0,0]=4 194 B11R1.91 NC(=O)NCC1=NC=CC=C1 MCULE-8949422121 [2,0,0,0,0,0|2,0,0]=4 195 B11R1.91 NC(=O)NNC1=CC=CC=C1 MCULE-9005466152 [2,0,0,0,0,0|2,0,0]=4 196 B11R1.91 NC(=O)NNC1=CC=CC=C1 MCULE-9682434617 [2,0,0,0,0,0|2,0,0]=4 197 B11R1.91 NC(=O)OCC1=CC=CC=C1 MCULE-8357463584 [2,0,0,0,0,0|2,0,0]=4 198 B11R1.91 NC(=S)CCC1=CC=CC=C1 MCULE-8507623226 [2,0,0,0,0,0|2,0,0]=4 199 B11R1.91 NC(=S)NCC1=CC=CC=C1 MCULE-3106139297 [2,0,0,0,0,0|1,0,0]=3 200 B11R1.91 NC(=S)NCC1=CC=CN=C1 MCULE-2855171851 [2,0,0,0,0,0|2,0,0]=4 201 B11R1.91 NC(=S)NCC1=CC=NC=C1 MCULE-1757662734 [2,0,0,0,0,0|2,0,0]=4 202 B11R1.91 NC(=S)NNC1=CC=CC=C1 MCULE-7195868161 [2,0,0,0,0,0|2,0,0]=4 203 B11R1.91 S=C(S)NCC1=CC=CC=C1 MCULE-7358133493 [2,0,0,0,0,0|2,0,0]=4 204 B11R1.91 S=C([S-])NCC1=CC=CC=C1 MCULE-9039728767 [2,0,0,0,0,0|2,0,0]=4 205 B11R1.91 [C@H](C)(N)CCC1=CC=CC=C1 MCULE-2541579869 [2,0,0,0,0,0|1,0,1]=4 206 B13R1.11 CC(NC(=S)NN)C1=CC=CC=C1 MCULE-6732379115 [1,1,0,0,0,0|2,0,0]=4 207 B13R1.11 CCC(=O)NC(C)C1=CC=CC=C1 MCULE-6856172749 [1,1,0,0,0,0|2,0,0]=4 208 B13R1.11 CCC(C)NC(C)C1=CC=CC=C1 MCULE-4368475601 [1,1,0,0,0,0|1,0,1]=4 209 B13R1.11 CCC(C)NC(C)C1=CC=CC=C1 MCULE-9796805734 [1,1,0,0,0,0|1,0,1]=4 210 B13R1.11 CNC(=O)CC(C)C1=CC=CC=C1 MCULE-7721312947 [1,1,0,0,0,0|2,0,0]=4 211 B13R1.11 CNC(=O)CC(N)C1=CC=CC=C1 MCULE-3459468109 [1,1,0,0,0,0|2,0,0]=4 212 B13R1.11 CNC(=O)CC(O)C1=CC=CC=C1 MCULE-2803508691 [1,1,0,0,0,0|2,0,0]=4 213 B13R1.11 CNC(=S)NC(=O)C1=CC=CC=C1 MCULE-2745545174 [1,1,0,0,0,0|1,0,1]=4 214 B13R1.11 CNC(=S)NC(C)C1=CC=NC=C1 MCULE-7479843567 [1,1,0,0,0,0|2,0,0]=4 215 B13R1.11 CNC(=S)NN(C)C1=CC=CC=C1 MCULE-4518120927 [1,1,0,0,0,0|2,0,0]=4 216 B13R1.11 N/C(=N\O)/NC(=O)C1=CC=CC=C1 MCULE-6251857906 [1,1,0,0,0,0|1,0,1]=4 217 B13R1.14 CC1=CC=C(C=C1)CS/C(=N/N)/N MCULE-9649919393 [1,1,0,0,0,0|2,0,0]=4 218 B13R1.14 CC1=CC=C(C=C1)CS/C(=N/N)/N MCULE-9852059610 [1,1,0,0,0,0|2,0,0]=4 219 B13R1.14 CCC(=O)NCC1=CC=C(C=C1)Cl MCULE-7979444887 [1,1,0,0,0,0|2,0,0]=4 220 B13R1.14 CCC(=O)NCC1=CC=C(C=C1)F MCULE-4662288661 [1,1,0,0,0,0|2,0,0]=4 221 B13R1.14 CCC(C)NCC1=CC=C(C=C1)Br MCULE-2558531345 [1,1,0,0,0,0|1,0,1]=4 222 B13R1.14 CCC(C)NCC1=CC=C(C=C1)Br MCULE-7252806082 [1,1,0,0,0,0|1,0,1]=4 223 B13R1.14 CCC(C)NCC1=CC=C(C=C1)C MCULE-1707449873 [1,1,0,0,0,0|1,0,1]=4 224 B13R1.14 CCC(C)NCC1=CC=C(C=C1)C MCULE-8181758174 [1,1,0,0,0,0|1,0,1]=4 225 B13R1.14 CCC(C)NCC1=CC=C(C=C1)Cl MCULE-1745673519 [1,1,0,0,0,0|1,0,1]=4 226 B13R1.14 CCC(C)NCC1=CC=C(C=C1)Cl MCULE-9053976057 [1,1,0,0,0,0|1,0,1]=4 227 B13R1.14 CCC(C)NCC1=CC=C(C=C1)F MCULE-3746971648 [1,1,0,0,0,0|1,0,1]=4 228 B13R1.14 CCC(C)NCC1=CC=C(C=C1)F MCULE-4943382354 [1,1,0,0,0,0|1,0,1]=4 229 B13R1.14 CCC(C)NCC1=CC=C(C=C1)O MCULE-7350231749 [1,1,0,0,0,0|1,0,1]=4 230 B13R1.14 CCC(C)NCC1=CC=C(C=C1)O MCULE-9933870566 [1,1,0,0,0,0|1,0,1]=4 231 B13R1.14 CNC(=N)COC1=CC=C(C=C1)Cl MCULE-3108313368 [1,1,0,0,0,0|2,0,0]=4 232 B13R1.14 CNC(=N)COC1=CC=C(C=C1)Cl MCULE-3809496171 [1,1,0,0,0,0|2,0,0]=4 233 B13R1.14 CNC(=O)CCC1=CC=C(C=C1)Br MCULE-4424848386 [1,1,0,0,0,0|2,0,0]=4 234 B13R1.14 CNC(=O)CCC1=CC=C(C=C1)F MCULE-2542266742 [1,1,0,0,0,0|2,0,0]=4 235 B13R1.14 CNC(=O)CCC1=CC=C(C=C1)I MCULE-6579241766 [1,1,0,0,0,0|2,0,0]=4 236 B13R1.14 CNC(=O)CCC1=CC=C(C=C1)N MCULE-1659440351 [1,1,0,0,0,0|2,0,0]=4 237 B13R1.14 CNC(=O)NCC1=CC=C(C=C1)Cl MCULE-5979202859 [1,1,0,0,0,0|1,0,0]=3 238 B13R1.14 CNC(=O)NCC1=CC=C(C=C1)F MCULE-8421753667 [1,1,0,0,0,0|1,0,0]=3 239 B13R1.14 CNC(=O)NCC1=CC=C(C=C1)I MCULE-1127551367 [1,1,0,0,0,0|1,0,0]=3 240 B13R1.14 CNC(=O)OCC1=CC=C(C=C1)Cl MCULE-4360706278 [1,1,0,0,0,0|2,0,0]=4 241 B13R1.14 CNC(=S)NCC1=CC=C(C=C1)Cl MCULE-1060744040 [1,1,0,0,0,0|1,0,0]=3 242 B13R1.14 CNC(=S)NNC1=CC=C(C=C1)C MCULE-6915165660 [1,1,0,0,0,0|2,0,0]=4 243 B13R1.14 CNC(C)CCC1=CC=C(C=C1)C MCULE-8226088356 [1,1,0,0,0,0|1,0,1]=4 244 B13R1.14 CNC(C)CCC1=CC=C(C=C1)Cl MCULE-4813223068 [1,1,0,0,0,0|1,0,1]=4 245 B13R1.14 CNC(C)CCC1=CC=C(C=C1)F MCULE-8993095481 [1,1,0,0,0,0|1,0,1]=4 246 B13R1.14 COC(=O)NCC1=CC=C(C=C1)Cl MCULE-1320029694 [1,1,0,0,0,0|2,0,0]=4 247 B13R1.14 COC(=O)NCC1=CC=C(C=C1)N MCULE-9960137532 [1,1,0,0,0,0|2,0,0]=4 248 B13R1.14 CSC(=S)NCC1=CC=C(C=C1)C MCULE-9316715196 [1,1,0,0,0,0|2,0,0]=4 249 B13R1.14 CSC(=S)NCC1=CC=C(C=C1)Cl MCULE-5886514628 [1,1,0,0,0,0|2,0,0]=4 250 B13R1.14 CSC(=S)NCC1=CC=C(C=C1)F MCULE-7798127272 [1,1,0,0,0,0|2,0,0]=4 251 B13R1.14 N=C(NN)NCC1=CC=C(C=C1)F MCULE-5971160541 [1,1,0,0,0,0|1,0,0]=3 252 B13R1.14 NNC(=O)NCC1=CC=C(C=C1)Cl MCULE-7811220121 [1,1,0,0,0,0|2,0,0]=4 253 B13R1.14 NNC(=S)NCC1=CC=C(C=C1)Cl MCULE-2388120213 [1,1,0,0,0,0|2,0,0]=4 254 B13R1.14 NNC(=S)NCC1=CC=C(C=C1)F MCULE-4011647131 [1,1,0,0,0,0|2,0,0]=4 255 B13R1.15 CCC(=O)NCC1=CC(=CC=C1)Br MCULE-6056277368 [1,1,0,0,0,0|2,0,0]=4 256 B13R1.15 CCC(C)NCC1=CC(=CC=C1)C MCULE-3316898237 [1,1,0,0,0,0|1,0,1]=4 257 B13R1.15 CCC(C)NCC1=CC(=CC=C1)C MCULE-7424787756 [1,1,0,0,0,0|1,0,1]=4 258 B13R1.15 CCC(C)NCC1=CC(=CC=C1)F MCULE-1592063013 [1,1,0,0,0,0|1,0,1]=4 259 B13R1.15 CCC(C)NCC1=CC(=CC=C1)F MCULE-6993841466 [1,1,0,0,0,0|1,0,1]=4 260 B13R1.15 CCC(C)NCC1=CC(=CC=C1)O MCULE-4870236893 [1,1,0,0,0,0|1,0,1]=4 261 B13R1.15 CCC(C)NCC1=CC(=CC=C1)O MCULE-5018321499 [1,1,0,0,0,0|1,0,1]=4 262 B13R1.15 CCC(C)NCC1=CC=CC(=C1)Br MCULE-1441784990 [1,1,0,0,0,0|1,0,1]=4 263 B13R1.15 CCC(C)NCC1=CC=CC(=C1)Br MCULE-4809561373 [1,1,0,0,0,0|1,0,1]=4 264 B13R1.15 CCC(C)NCC1=CC=CC(=C1)Cl MCULE-3486832514 [1,1,0,0,0,0|1,0,1]=4 265 B13R1.15 CCC(C)NCC1=CC=CC(=C1)Cl MCULE-8741559452 [1,1,0,0,0,0|1,0,1]=4 266 B13R1.15 CNC(=O)CCC1=CC(=CC=C1)Br MCULE-9485073990 [1,1,0,0,0,0|2,0,0]=4 267 B13R1.15 CNC(=O)CCC1=CC(=CC=C1)N MCULE-6849669748 [1,1,0,0,0,0|2,0,0]=4 268 B13R1.15 CNC(=O)CCC1=CC(=CC=C1)N MCULE-6888056048 [1,1,0,0,0,0|2,0,0]=4 269 B13R1.15 CNC(=O)CCC1=CC(=CC=C1)N MCULE-9127316030 [1,1,0,0,0,0|2,0,0]=4 270 B13R1.15 CNC(=O)NCC1=CC(=CC=C1)Cl MCULE-7509104237 [1,1,0,0,0,0|1,0,0]=3 271 B13R1.15 CNC(C)CCC1=CC=CC(=C1)C MCULE-1500468775 [1,1,0,0,0,0|1,0,1]=4 272 B13R1.15 CNC(C)CCC1=CC=CC(=C1)Cl MCULE-3870761150 [1,1,0,0,0,0|1,0,1]=4 273 B13R1.15 CNC(C)CCC1=CC=CC(=C1)F MCULE-3205105303 [1,1,0,0,0,0|1,0,1]=4 274 B13R1.15 COC(=O)NCC1=CC(=CC=C1)Br MCULE-3263245880 [1,1,0,0,0,0|2,0,0]=4 275 B13R1.42 CC(CCO)NCC1=CC=CC=C1 MCULE-2559647564 [1,1,0,0,0,0|1,0,1]=4 276 B13R1.42 CCCC(=O)NCC1=CC=CC=C1 MCULE-9053492552 [1,1,0,0,0,0|2,0,0]=4 277 B13R1.42 CCCC(C)NCC1=CC=CC=C1 MCULE-9332652037 [1,1,0,0,0,0|1,0,1]=4 278 B13R1.42 CCCC(C)NCC1=CC=CC=C1 MCULE-9865389387 [1,1,0,0,0,0|1,0,1]=4 279 B13R1.42 CCNC(=O)CCC1=CC=CC=C1 MCULE-2464553678 [1,1,0,0,0,0|2,0,0]=4 280 B13R1.42 CCNC(=O)NCC1=CC=CC=C1 MCULE-4104238611 [1,1,0,0,0,0|1,0,0]=3 281 B13R1.42 CCNC(=O)NCC1=CC=NC=C1 MCULE-6864460518 [1,1,0,0,0,0|2,0,0]=4 282 B13R1.42 CCNC(=S)NCC1=CC=CC=C1 MCULE-8798982768 [1,1,0,0,0,0|1,0,0]=3 283 B13R1.42 CCNC(=S)NNC1=CC=CC=C1 MCULE-4726321116 [1,1,0,0,0,0|2,0,0]=4 284 B13R1.42 CCOC(=O)NCC1=CC=CC=C1 MCULE-5346256483 [1,1,0,0,0,0|2,0,0]=4 285 B13R1.42 CCSC(=O)NCC1=CC=CC=C1 MCULE-1542299425 [1,1,0,0,0,0|2,0,0]=4 286 B13R1.42 CNCC(=O)NCC1=CC=CC=C1 MCULE-3432090184 [1,1,0,0,0,0|1,0,0]=3 287 B13R1.42 CNCC(=O)NCC1=CC=CC=C1 MCULE-4975102409 [1,1,0,0,0,0|1,0,0]=3 288 B13R1.42 CNCC(=O)NCC1=CC=CN=C1 MCULE-4667061013 [1,1,0,0,0,0|2,0,0]=4 289 B13R1.42 CNCC(=O)NCC1=CC=CN=C1 MCULE-7657822442 [1,1,0,0,0,0|2,0,0]=4 290 B13R1.42 CNCC(=O)NCC1=CC=CN=C1 MCULE-9816978698 [1,1,0,0,0,0|2,0,0]=4 291 B13R1.42 CNCC(=O)NCC1=CC=NC=C1 MCULE-3178977173 [1,1,0,0,0,0|2,0,0]=4 292 B13R1.42 CNCC(=O)NCC1=CC=NC=C1 MCULE-6144430717 [1,1,0,0,0,0|2,0,0]=4 293 B13R1.42 CNCC(=O)NCC1=NC=CC=C1 MCULE-2204587136 [1,1,0,0,0,0|2,0,0]=4 294 B13R1.42 CNCC(=O)NCC1=NC=CC=C1 MCULE-4739447916 [1,1,0,0,0,0|2,0,0]=4 295 B13R1.42 CNCC(=O)NCC1=NC=CC=C1 MCULE-8235801713 [1,1,0,0,0,0|2,0,0]=4 296 B13R1.42 CNCC(=O)OCC1=CC=CC=C1 MCULE-2539707168 [1,1,0,0,0,0|2,0,0]=4 297 B13R1.42 CNCC(=O)OCC1=CC=CC=C1 MCULE-7019021318 [1,1,0,0,0,0|2,0,0]=4 298 B13R1.42 CNCC(=O)OCC1=CC=CC=C1 MCULE-8686908740 [1,1,0,0,0,0|2,0,0]=4 299 B13R1.42 CNNC(=O)OCC1=CC=CC=C1 MCULE-4156080107 [1,1,0,0,0,0|2,0,0]=4 300 B13R1.42 CNNC(=O)OCC1=CC=CC=C1 MCULE-6993481201 [1,1,0,0,0,0|2,0,0]=4 301 B13R1.42 COCC(=O)NCC1=CC=CC=C1 MCULE-7909504026 [1,1,0,0,0,0|2,0,0]=4 302 B13R1.42 N#CNC(=N)NCC1=CC=CC=C1 MCULE-4143961038 [1,1,0,0,0,0|0,0,1]=3 303 B13R1.42 NCCC(=O)NCC1=CC=CC=C1 MCULE-2495183110 [1,1,0,0,0,0|2,0,0]=4 304 B13R1.42 NCCC(=O)NCC1=CC=CC=C1 MCULE-2579881726 [1,1,0,0,0,0|2,0,0]=4 305 B13R1.42 O=C(CCBr)NCC1=CC=CC=C1 MCULE-2968487112 [1,1,0,0,0,0|2,0,0]=4 306 B13R1.42 O=C(CCCl)NCC1=CC=CC=C1 MCULE-2526925294 [1,1,0,0,0,0|2,0,0]=4 307 B13R1.42 O=C(NCCl)OCC1=CC=CC=C1 MCULE-2921599080 [1,1,0,0,0,0|2,0,0]=4 308 B13R1.42 O=C(NCO)OCC1=CC=CC=C1 MCULE-1918801600 [1,1,0,0,0,0|2,0,0]=4 309 B13R1.135 CNC(=O)C(Br)CC1=CC=CC=C1 MCULE-7744549685 [1,1,0,0,0,0|2,0,0]=4 310 B13R1.135 CNC(=O)C(C)CC1=CC=CC=C1 MCULE-8571932072 [1,1,0,0,0,0|2,0,0]=4 311 B13R1.135 CNC(=O)C(N)CC1=CC=CC=C1 MCULE-4070468166 [1,1,0,0,0,0|2,0,0]=4 312 B13R1.135 CNC(=O)C(N)CC1=CC=CC=C1 MCULE-4208900885 [1,1,0,0,0,0|2,0,0]=4 313 B13R1.135 CNC(=O)C(N)CC1=CC=CC=C1 MCULE-9291095634 [1,1,0,0,0,0|2,0,0]=4 314 B13R1.135 CNC(=O)[C@@H](N)CC1=CC=CC=C1 MCULE-1773982239 [1,1,0,0,0,0|2,0,0]=4 315 B13R1.135 CNC(=O)[C@@H](N)CC1=CC=CC=C1 MCULE-6534348496 [1,1,0,0,0,0|2,0,0]=4 316 B13R1.135 CNC(=O)[C@@H](N)CC1=CC=CC=C1 MCULE-8400640986 [1,1,0,0,0,0|2,0,0]=4 317 B13R1.135 CNC(=O)[C@@H](N)CC1=CC=CC=C1 MCULE-9994461517 [1,1,0,0,0,0|2,0,0]=4 318 B13R1.135 CNC(=O)[C@H](N)CC1=CC=CC=C1 MCULE-1222832030 [1,1,0,0,0,0|2,0,0]=4 319 B13R1.135 CNC(=O)[C@H](N)CC1=CC=CC=C1 MCULE-2609705403 [1,1,0,0,0,0|2,0,0]=4 320 B13R1.135 CNC(=O)[C@H](N)CC1=CC=CC=C1 MCULE-8230887511 [1,1,0,0,0,0|2,0,0]=4 321 B13R1.351 CC(Br)C(=O)NCC1=CC=CC=C1 MCULE-7918023212 [1,1,0,0,0,0|2,0,0]=4 322 B13R1.351 CC(C)C(=O)NCC1=CC=CC=C1 MCULE-1079713418 [1,1,0,0,0,0|2,0,0]=4 323 B13R1.351 CC(C)C(C)NCC1=CC=CC=C1 MCULE-1541542338 [1,1,0,0,0,0|1,0,1]=4 324 B13R1.351 CC(C)C(C)NCC1=CC=CC=C1 MCULE-5290997994 [1,1,0,0,0,0|1,0,1]=4 325 B13R1.351 CC(C)[C@H](C)NCC1=CC=CC=C1 MCULE-1601234152 [1,1,0,0,0,0|1,0,1]=4 326 B13R1.351 CC(C)[C@H](C)NCC1=CC=CC=C1 MCULE-6139592146 [1,1,0,0,0,0|1,0,1]=4 327 B13R1.351 CC(Cl)C(=O)NCC1=CC=CC=C1 MCULE-7734840261 [1,1,0,0,0,0|2,0,0]=4 328 B13R1.351 CC(N)C(=O)NCC1=CC=CC=C1 MCULE-6464093613 [1,1,0,0,0,0|2,0,0]=4 329 B13R1.351 CC(N)C(=O)NCC1=CC=CC=C1 MCULE-6987327254 [1,1,0,0,0,0|2,0,0]=4 330 B13R1.351 CC(O)C(C)NCC1=CC=CC=C1 MCULE-1572083715 [1,1,0,0,0,0|1,0,1]=4 331 B13R1.351 CN(C)C(=O)CCC1=CC=CC=C1 MCULE-2715507958 [1,1,0,0,0,0|2,0,0]=4 332 B13R1.351 CN(C)C(=O)NCC1=CC=CC=C1 MCULE-6159269577 [1,1,0,0,0,0|1,0,0]=3 333 B13R1.351 CN(C)C(=O)NCC1=CC=CN=C1 MCULE-6804397575 [1,1,0,0,0,0|2,0,0]=4 334 B13R1.351 CN(C)C(=S)NCC1=CC=CC=C1 MCULE-9073163905 [1,1,0,0,0,0|1,0,0]=3 335 B13R1.351 CN(C)C(=S)NCC1=CC=CN=C1 MCULE-1932947840 [1,1,0,0,0,0|2,0,0]=4 336 B13R1.351 CN(C)C(=S)SCC1=CC=CC=C1 MCULE-3163364738 [1,1,0,0,0,0|2,0,0]=4 337 B13R1.351 CN(N)C(=O)OCC1=CC=CC=C1 MCULE-7161926405 [1,1,0,0,0,0|2,0,0]=4 338 B13R1.351 CN(N)C(=S)NCC1=CC=CC=C1 MCULE-7913761069 [1,1,0,0,0,0|1,0,0]=3 339 B13R1.351 CN(O)C(=O)OCC1=CC=CC=C1 MCULE-7332248169 [1,1,0,0,0,0|2,0,0]=4 340 B13R1.351 C[C@H](N)C(=O)NCC1=CC=CC=C1 MCULE-6946142844 [1,1,0,0,0,0|2,0,0]=4 341 B13R1.351 C[C@H](N)C(=O)NCC1=CC=CC=C1 MCULE-7300712396 [1,1,0,0,0,0|2,0,0]=4 342 B13R1.528 CCC(=O)NCC1=C(C=CC=C1)Cl MCULE-9403726868 [1,1,0,0,0,0|2,0,0]=4 343 B13R1.528 CCC(=O)NCC1=CC=CC=C1Br MCULE-2369126645 [1,1,0,0,0,0|2,0,0]=4 344 B13R1.528 CCC(C)NCC1=C(C=CC=C1)Br MCULE-1408271011 [1,1,0,0,0,0|1,0,1]=4 345 B13R1.528 CCC(C)NCC1=C(C=CC=C1)C MCULE-7055102263 [1,1,0,0,0,0|1,0,1]=4 346 B13R1.528 CCC(C)NCC1=C(C=CC=C1)Cl MCULE-3803607621 [1,1,0,0,0,0|1,0,1]=4 347 B13R1.528 CCC(C)NCC1=C(C=CC=C1)O MCULE-4355725966 [1,1,0,0,0,0|1,0,1]=4 348 B13R1.528 CCC(C)NCC1=C(C=CC=C1)O MCULE-5837544483 [1,1,0,0,0,0|1,0,1]=4 349 B13R1.528 CCC(C)NCC1=CC=CC=C1Br MCULE-7366509498 [1,1,0,0,0,0|1,0,1]=4 350 B13R1.528 CCC(C)NCC1=CC=CC=C1C MCULE-3301179821 [1,1,0,0,0,0|1,0,1]=4 351 B13R1.528 CCC(C)NCC1=CC=CC=C1Cl MCULE-6160319813 [1,1,0,0,0,0|1,0,1]=4 352 B13R1.528 CCC(C)NCC1=CC=CC=C1F MCULE-1821131549 [1,1,0,0,0,0|1,0,1]=4 353 B13R1.528 CCC(C)NCC1=CC=CC=C1F MCULE-8803153376 [1,1,0,0,0,0|1,0,1]=4 354 B13R1.528 CNC(=O)CCC1=C(C=CC=C1)Cl MCULE-8939319587 [1,1,0,0,0,0|2,0,0]=4 355 B13R1.528 CNC(=O)CCC1=C(C=CC=C1)N MCULE-7678142093 [1,1,0,0,0,0|2,0,0]=4 356 B13R1.528 CNC(=O)NCC1=C(C=CC=C1)Cl MCULE-4600843080 [1,1,0,0,0,0|1,0,0]=3 357 B13R1.528 CNC(=O)NCC1=C(C=CC=C1)F MCULE-5257485023 [1,1,0,0,0,0|1,0,0]=3 358 B13R1.528 CNC(=O)NCC1=C(C=CC=C1)N MCULE-5515103904 [1,1,0,0,0,0|1,0,0]=3 359 B13R1.528 CNC(C)CCC1=CC=CC=C1Cl MCULE-9328848923 [1,1,0,0,0,0|1,0,1]=4 360 B13R1.528 CNC(C)CCC1=CC=CC=C1F MCULE-6840512303 [1,1,0,0,0,0|1,0,1]=4 361 B13R1.79 CCNC(CC)CC1=CC=CC=C1 MCULE-8740492178 [0,1,0,0,1,0|1,0,1]=4 362 B13R1.79 CCNC(CC)CC1=CC=CC=C1 MCULE-9872096488 [0,1,0,0,1,0|1,0,1]=4 363 B13R1.79 CNC(COC)CC1=CC=CC=C1 MCULE-2667321979 [0,1,0,0,1,0|1,0,1]=4 364 B13R1.79 CNC(COC)CC1=CC=CC=C1 MCULE-3257067457 [0,1,0,0,1,0|1,0,1]=4 365 B13R1.79 CS/C(=N/C#N)/NC1=CC=CC=C1 MCULE-4962890598 [0,1,0,0,1,0|1,0,1]=4 366 B13R1.86 CC[C@@H](NC)[C@@H](O)C1=CC=CC=C1 MCULE-5434026414 [0,1,0,0,1,0|1,0,1]=4 367 B13R1.86 CC[C@@H](NC)[C@@H](O)C1=CC=CC=C1 MCULE-8116005589 [0,1,0,0,1,0|1,0,1]=4 368 B13R1.145 CCC(CC1=CC=C(C=C1)C)NC MCULE-5779652592 [0,1,0,0,1,0|1,0,1]=4 369 B13R1.146 C/N=C(/NC1=CC=CC(=C1)Cl)\SC MCULE-1855427581 [0,1,0,0,1,0|1,0,0]=3 370 B13R1.146 C/N=C(/NC1=CC=CC(=C1)Cl)\SC MCULE-7816498443 [0,1,0,0,1,0|1,0,0]=3 371 B13R1.335 CCC(CC1=C(C=CC=C1)Br)NC MCULE-2100435621 [0,1,0,0,1,0|1,0,1]=4 372 B13R2.10 C1(CSC(=S)N1)C2=CC=CC=C2 MCULE-7794395354 [1,0,0,1,0,0|2,0,0]=4 373 B13R2.10 CC1CC(CN1)C2=CC=CC=C2 MCULE-6135649392 [1,0,0,1,0,0|1,0,1]=4 374 B13R2.10 CC1CCC(N1)C2=CC=CC=C2 MCULE-6334712438 [1,0,0,1,0,0|1,0,1]=4 375 B13R2.10 C[C@H]1CCC(N1)C2=CC=CC=C2 MCULE-1669726053 [1,0,0,1,0,0|1,0,1]=4 376 B13R2.10 C[C@H]1CCC(N1)C2=CC=CC=C2 MCULE-9815558661 [1,0,0,1,0,0|1,0,1]=4 377 B13R2.10 NC1=NC(CC1)C2=CC=CC=C2 MCULE-6316561109 [1,0,0,1,0,0|1,0,1]=4 378 B13R2.10 NC1=NC(CS1)C2=CC=CC=C2 MCULE-6223280688 [1,0,0,1,0,0|1,0,1]=4 379 B13R2.10 NC1=NC=C(N1)C2=CC=CC=C2 MCULE-2381616637 [1,0,0,1,0,0|0,0,2]=4 380 B13R2.10 NC1=NC=C(N1)C2=CC=CC=C2 MCULE-7666425061 [1,0,0,1,0,0|0,0,2]=4 381 B13R2.10 NC1=NC=C(N1)C2=CC=CC=C2 MCULE-7889820985 [1,0,0,1,0,0|0,0,2]=4 382 B13R2.10 NC1=NCC(O1)C2=CC=CC=C2 MCULE-3553482246 [1,0,0,1,0,0|1,0,0]=3 383 B13R2.10 O=C1CC(CN1)C2=CC=CC=C2 MCULE-4630950069 [1,0,0,1,0,0|2,0,0]=4 384 B13R2.10 O=C1CCC(N1)C2=CC=CC=C2 MCULE-7282815024 [1,0,0,1,0,0|2,0,0]=4 385 B13R2.10 O=C1CC[C@@H](N1)C2=CC=CC=C2 MCULE-6889580149 [1,0,0,1,0,0|2,0,0]=4 386 B13R2.10 O=C1CC[C@@H](N1)C2=CC=CC=C2 MCULE-9790800829 [1,0,0,1,0,0|2,0,0]=4 387 B13R2.10 O=C1CC[C@H](N1)C2=CC=CC=C2 MCULE-7025551195 [1,0,0,1,0,0|2,0,0]=4 388 B13R2.10 O=C1CC[C@H](N1)C2=CC=CC=C2 MCULE-9391776347 [1,0,0,1,0,0|2,0,0]=4 389 B13R2.10 O=C1C[C@@H](CN1)C2=CC=CC=C2 MCULE-4537200484 [1,0,0,1,0,0|2,0,0]=4 390 B13R2.10 O=C1C[C@H](CN1)C2=CC=CC=C2 MCULE-1458391237 [1,0,0,1,0,0|2,0,0]=4 391 B13R2.10 O=C1C[C@H](CN1)C2=CC=CC=C2 MCULE-4334775779 [1,0,0,1,0,0|2,0,0]=4 392 B13R2.10 O=C1NC(CO1)C2=CC=CC=C2 MCULE-4391857031 [1,0,0,1,0,0|2,0,0]=4 393 B13R2.10 O=C1NC(CO1)C2=CC=CC=C2 MCULE-8267120160 [1,0,0,1,0,0|2,0,0]=4 394 B13R2.10 O=C1NC(CS1)C2=CC=CC=C2 MCULE-4673928815 [1,0,0,1,0,0|2,0,0]=4 395 B13R2.10 O=C1NCC(N1)C2=NC=CC=C2 MCULE-9211297489 [1,0,0,1,0,0|2,0,0]=4 396 B13R2.10 O=C1NCC(O1)C2=CC=CC=C2 MCULE-8680093536 [1,0,0,1,0,0|2,0,0]=4 397 B13R2.10 O=C1NC[C@@H](N1)C2=CC=CC=C2 MCULE-3540473243 [1,0,0,1,0,0|1,0,0]=3 398 B13R2.10 O=C1NC[C@@H](N1)C2=CC=CN=C2 MCULE-7641708714 [1,0,0,1,0,0|2,0,0]=4 399 B13R2.10 O=C1NC[C@@H](N1)C2=CC=NC=C2 MCULE-8868776219 [1,0,0,1,0,0|2,0,0]=4 400 B13R2.10 O=C1NC[C@@H](N1)C2=NC=CC=C2 MCULE-2975227550 [1,0,0,1,0,0|2,0,0]=4 401 B13R2.10 O=C1NC[C@@H](O1)C2=CC=CC=C2 MCULE-8279914603 [1,0,0,1,0,0|2,0,0]=4 402 B13R2.10 O=C1NC[C@H](N1)C2=CC=CC=C2 MCULE-5121393780 [1,0,0,1,0,0|1,0,0]=3 403 B13R2.10 O=C1NC[C@H](N1)C2=CC=CN=C2 MCULE-2429619236 [1,0,0,1,0,0|2,0,0]=4 404 B13R2.10 O=C1NC[C@H](N1)C2=CC=NC=C2 MCULE-3022809822 [1,0,0,1,0,0|2,0,0]=4 405 B13R2.10 O=C1NC[C@H](N1)C2=NC=CC=C2 MCULE-8679324681 [1,0,0,1,0,0|2,0,0]=4 406 B13R2.10 O=C1NC[C@H](O1)C2=CC=CC=C2 MCULE-3530929459 [1,0,0,1,0,0|2,0,0]=4 407 B13R2.10 O=C1N[C@@H](CO1)C2=CC=CC=C2 MCULE-3006593979 [1,0,0,1,0,0|2,0,0]=4 408 B13R2.10 O=C1N[C@@H](CO1)C2=CC=CC=C2 MCULE-3834164513 [1,0,0,1,0,0|2,0,0]=4 409 B13R2.10 O=C1N[C@@H](CO1)C2=CC=CC=C2 MCULE-6907605886 [1,0,0,1,0,0|2,0,0]=4 410 B13R2.10 O=C1N[C@@H](CS1)C2=CC=CC=C2 MCULE-5149657860 [1,0,0,1,0,0|2,0,0]=4 411 B13R2.10 O=C1N[C@H](CO1)C2=CC=CC=C2 MCULE-2481839329 [1,0,0,1,0,0|2,0,0]=4 412 B13R2.10 O=C1N[C@H](CO1)C2=CC=CC=C2 MCULE-4076425150 [1,0,0,1,0,0|2,0,0]=4 413 B13R2.10 O=C1N[C@H](CO1)C2=CC=CC=C2 MCULE-8799971945 [1,0,0,1,0,0|2,0,0]=4 414 B13R2.10 S=C1NC(CO1)C2=CC=CC=C2 MCULE-6920720543 [1,0,0,1,0,0|2,0,0]=4 415 B13R2.10 S=C1NC(CS1)C2=CC=CC=C2 MCULE-9613013362 [1,0,0,1,0,0|2,0,0]=4 416 B13R2.10 S=C1NCC(S1)C2=CC=CC=C2 MCULE-7162333377 [1,0,0,1,0,0|2,0,0]=4 417 B13R2.10 S=C1N[C@@H](CO1)C2=CC=CC=C2 MCULE-4125486863 [1,0,0,1,0,0|2,0,0]=4 418 B13R2.10 S=C1N[C@@H](CO1)C2=CC=CC=C2 MCULE-4866796368 [1,0,0,1,0,0|2,0,0]=4 419 B13R2.10 S=C1N[C@@H](CS1)C2=CC=CC=C2 MCULE-7127285599 [1,0,0,1,0,0|2,0,0]=4 420 B13R2.10 S=C1N[C@@H](CS1)C2=CC=CC=C2 MCULE-8008343711 [1,0,0,1,0,0|2,0,0]=4 421 B13R2.10 S=C1N[C@H](CO1)C2=CC=CC=C2 MCULE-3263848209 [1,0,0,1,0,0|2,0,0]=4 422 B13R2.10 S=C1N[C@H](CO1)C2=CC=CC=C2 MCULE-9987911820 [1,0,0,1,0,0|2,0,0]=4 423 B13R2.10 S=C1N[C@H](CS1)C2=CC=CC=C2 MCULE-4717282539 [1,0,0,1,0,0|2,0,0]=4 424 B13R2.10 S=C1N[C@H](CS1)C2=CC=CC=C2 MCULE-9068533238 [1,0,0,1,0,0|2,0,0]=4 425 B13R2.10 [C@H]1(CNC(=O)O1)C2=CC=CC=C2 MCULE-1949587108 [1,0,0,1,0,0|2,0,0]=4 426 B13R2.27 C[C@H]1CCN1CC2=CC=CC=C2 MCULE-3334034702 [1,0,0,1,0,0|1,0,1]=4 427 B13R2.27 C[C@H]1CCN1CC2=CC=CC=C2 MCULE-6921298589 [1,0,0,1,0,0|1,0,1]=4 428 B13R2.32 CC1CCC2=C(N1C)C=CC=C2 MCULE-3817930041 [1,0,0,1,0,0|1,0,1]=4 429 B13R2.32 CN1C(=N)C=CC2=C1C=CC=C2 MCULE-7831252922 [1,0,0,1,0,0|1,0,1]=4 430 B13R2.32 CN1C(=O)CCC2=C1C=CC=C2 MCULE-4357716605 [1,0,0,1,0,0|2,0,0]=4 431 B13R2.32 CN1C(=O)OCC2=CC=CC=C12 MCULE-7737783438 [1,0,0,1,0,0|2,0,0]=4 432 B13R2.33 O=C1CCC2=CC=CC=C2CN1 MCULE-1946761141 [1,0,0,1,0,0|2,0,0]=4 433 B13R2.52 CN[C@H]1C[C@@H](C1)C2=CC=CC=C2 MCULE-3820412209 [1,0,0,1,0,0|1,0,1]=4 434 B13R2.57 CCC1CC2=C(C=CC=C2)CN1 MCULE-5848953769 [1,0,0,1,0,0|1,0,1]=4 435 B13R2.57 CNC1=NC2=C(C=CC=C2)C=C1 MCULE-1756291208 [1,0,0,1,0,0|1,0,1]=4 436 B13R2.57 CNC1=NC2=C(C=CC=C2)N=C1 MCULE-3755937397 [1,0,0,1,0,0|2,0,0]=4 437 B13R2.57 CNC1CCC2=C(C1)C=CC=C2 MCULE-1227142898 [1,0,0,1,0,0|1,0,1]=4 438 B13R2.57 CNC1CCC2=C(C1)C=CC=C2 MCULE-2761930940 [1,0,0,1,0,0|1,0,1]=4 439 B13R2.57 CSC1=NCC2=CC=CC=C2N1 MCULE-2518120401 [1,0,0,1,0,0|1,0,1]=4 440 B13R2.57 CSC1=NCC2=CC=CC=C2N1 MCULE-7091208810 [1,0,0,1,0,0|1,0,1]=4 441 B13R2.57 [NH+]1=C(NCC2=C1C=CC=C2)SC MCULE-1316697432 [1,0,0,1,0,0|1,0,1]=4 442 B13R2.373 CC1C(=O)NC1C2=CC=CC=C2 MCULE-1725432243 [1,0,0,1,0,0|2,0,0]=4 443 B13R2.2383 C1=CC=C(C=C1)CNC2CCC2 MCULE-2199361083 [1,0,0,1,0,0|1,0,1]=4 444 B13R2.2383 C1=CC=C(C=C1)CNC2CCC2 MCULE-9244661519 [1,0,0,1,0,0|1,0,1]=4 445 B13R2.15272 CNC(C)C1CC2=C1C=CC=C2 MCULE-1693119558 [1,0,0,1,0,0|1,0,1]=4 446 B13R2.45 CCC1=C(C2=CC=CC=C2N1)C MCULE-1580240282 [0,0,0,1,1,0|2,0,0]=4 447 B13R2.45 CCC1=NC2=CC=CC=C2N1C MCULE-6188194462 [0,0,0,1,1,0|1,0,1]=4 448 B13R2.45 CN1C(=NN)SC2=C1C=CC=C2 MCULE-6939525666 [0,0,0,1,1,0|2,0,0]=4 449 B13R2.45 CN1C(=NN)SC2=C1C=CC=C2 MCULE-8426564870 [0,0,0,1,1,0|2,0,0]=4 450 B13R2.45 CNC1=NC2=C(N1C)C=CC=C2 MCULE-9370841493 [0,0,0,1,1,0|0,0,2]=4 451 B13R2.45 CN\1C2=C(C=CC=C2)S/C1=N/N MCULE-1746376171 [0,0,0,1,1,0|2,0,0]=4 452 B13R2.45 CN\1C2=C(C=CC=C2)S/C1=N\N MCULE-4036419585 [0,0,0,1,1,0|2,0,0]=4 453 B13R2.45 CN\1C2=CC=CC=C2S/C1=N/N MCULE-5123366404 [0,0,0,1,1,0|2,0,0]=4 454 B13R2.45 CN\1C2=CC=CC=C2S/C1=N\N MCULE-6379055269 [0,0,0,1,1,0|2,0,0]=4 455 B13R2.45 COC1=NC2=CC=CC=C2N1C MCULE-6900739320 [0,0,0,1,1,0|1,0,1]=4 456 B13R2.45 CSC1=NC2=CC=CC=C2N1C MCULE-6753455459 [0,0,0,1,1,0|1,0,1]=4 457 B13R2.64 C1=CC=C(C=C1)CC2=NC=CN2 MCULE-2090232425 [0,0,0,1,1,0|0,0,2]=4 458 B13R2.64 C1=CC=C(C=C1)CC2=NCCN2 MCULE-5694308124 [0,0,0,1,1,0|0,0,0]=2 459 B13R2.64 C1=CC=C(C=C1)CC2=NCCN2 MCULE-8393678793 [0,0,0,1,1,0|0,0,0]=2 460 B13R2.64 C1=CC=C(C=C1)CC2=NN=CN2 MCULE-7830205628 [0,0,0,1,1,0|1,0,1]=4 461 B13R2.64 C1=CC=C(C=C1)CC2CCCN2 MCULE-2554078458 [0,0,0,1,1,0|1,0,1]=4 462 B13R2.64 C1=CC=C(C=C1)CC2CCCN2 MCULE-8343521757 [0,0,0,1,1,0|1,0,1]=4 463 B13R2.64 C1=CC=C(C=C1)C[C@@H]2CCCN2 MCULE-2620623290 [0,0,0,1,1,0|1,0,1]=4 464 B13R2.64 C1=CC=C(C=C1)C[C@@H]2CCCN2 MCULE-3917035400 [0,0,0,1,1,0|1,0,1]=4 465 B13R2.64 C1=CC=C(C=C1)C[C@@H]2CCCN2 MCULE-6171988284 [0,0,0,1,1,0|1,0,1]=4 466 B13R2.64 C1=CC=C(C=C1)C[C@@H]2CCCN2 MCULE-7795126563 [0,0,0,1,1,0|1,0,1]=4 467 B13R2.64 C1=CC=C(C=C1)C[C@H]2CCCN2 MCULE-1886768181 [0,0,0,1,1,0|1,0,1]=4 468 B13R2.64 C1=CC=C(C=C1)C[C@H]2CCCN2 MCULE-4148595432 [0,0,0,1,1,0|1,0,1]=4 469 B13R2.64 C1=CC=C(C=C1)C[C@H]2CCCN2 MCULE-4562908109 [0,0,0,1,1,0|1,0,1]=4 470 B13R2.64 C1=CC=C(C=C1)C[C@H]2CCCN2 MCULE-8787973555 [0,0,0,1,1,0|1,0,1]=4 471 B13R2.64 C1=CC=C(C=C1)N=C2NCCN2 MCULE-9797207863 [0,0,0,1,1,0|0,0,2]=4 472 B13R2.64 C1=CC=C(C=C1)NC2=NC=NN2 MCULE-5005365444 [0,0,0,1,1,0|1,0,1]=4 473 B13R2.64 C1=CC=C(C=C1)NC2=NCCC2 MCULE-2683231905 [0,0,0,1,1,0|1,0,0]=3 474 B13R2.64 C1=CC=C(C=C1)NC2=NCCS2 MCULE-2196574986 [0,0,0,1,1,0|1,0,0]=3 475 B13R2.64 C1=CC=C(C=C1)NC2=NCCS2 MCULE-3861281239 [0,0,0,1,1,0|1,0,0]=3 476 B13R2.64 C1=CN=C(C=C1)CC2=NCCO2 MCULE-9052220203 [0,0,0,1,1,0|2,0,0]=4 477 B13R2.64 C1=CN=C(C=N1)NC2=NCCN2 MCULE-1693334469 [0,0,0,1,1,0|2,0,0]=4 478 B15R2.15 CNC1=CN(N=C1)CC2=CC=CC=C2 MCULE-6622032375 [0,0,0,1,0,1|2,0,0]=4 479 B15R2.15 CNC1=CN(N=C1)CC2=CC=CC=C2 MCULE-7404168766 [0,0,0,1,0,1|2,0,0]=4 480 B15R2.15 CNC1CCN(C1)CC2=CC=CC=C2 MCULE-6433101727 [0,0,0,1,0,1|1,0,1]=4 481 B15R2.15 CN[C@@H]1CCN(C1)CC2=CC=CC=C2 MCULE-3408914744 [0,0,0,1,0,1|1,0,1]=4 482 B15R2.15 CN[C@@H]1CCN(C1)CC2=CC=CC=C2 MCULE-4426428688 [0,0,0,1,0,1|1,0,1]=4 483 B15R2.15 CN[C@@H]1CCN(C1)CC2=CC=CC=C2 MCULE-6017393877 [0,0,0,1,0,1|1,0,1]=4 484 B15R2.15 CN[C@H]1CCN(C1)CC2=CC=CC=C2 MCULE-2512101797 [0,0,0,1,0,1|1,0,1]=4 485 B15R2.15 ON=C1CCN(C1)CC2=CC=CC=C2 MCULE-5517983547 [0,0,0,1,0,1|2,0,0]=4 486 B15R2.15 [C@@H]1(CCN(C1)CC2=CC=CC=C2)NC MCULE-7632307648 [0,0,0,1,0,1|1,0,1]=4 487 B15R2.2196 C1=CC(=CC=N1)C=NNC2=NCCN2 MCULE-7534877157 [0,0,0,1,0,1|1,0,1]=4 488 B15R2.2196 C1=CC(=CC=N1)C=NNC2=NCCN2 MCULE-9070611010 [0,0,0,1,0,1|1,0,1]=4 489 B15R2.2196 C1=CC(=CN=C1)C=NNC2=NCCN2 MCULE-3621947398 [0,0,0,1,0,1|1,0,1]=4 490 B15R2.2196 C1=CC(=CN=C1)C=NNC2=NCCN2 MCULE-5830066838 [0,0,0,1,0,1|1,0,1]=4 491 B15R2.2196 C1=CC=C(C=C1)CCSC2=NCCN2 MCULE-4679101232 [0,0,0,1,0,1|1,0,0]=3 492 B15R2.2196 C1=CC=C(C=C1)CCSC2=NCCN2 MCULE-4747107029 [0,0,0,1,0,1|1,0,0]=3 493 B15R2.2196 C1=CC=C(C=C1)CNCC2CCCN2 MCULE-5577123901 [0,0,0,1,0,1|1,0,1]=4 494 B15R2.2196 C1=CC=C(C=C1)CNCC2CCCN2 MCULE-6620857703 [0,0,0,1,0,1|1,0,1]=4 495 B15R2.1259 CC(NC1=NCCS1)C2=CC=CC=C2 MCULE-5166154906 [0,1,0,1,0,0|1,0,0]=3 496 B15R2.1259 O=C(NC1=NCCS1)C2=CC=CC=C2 MCULE-7233924359 [0,1,0,1,0,0|1,0,1]=4 497 B15R2.562 CC1=C(C=CC=C1)CNC2=NCCN2 MCULE-8927749570 [0,1,0,1,0,0|0,0,0]=2 498 B15R2.562 CC1=CC=CC=C1CSC2=NCCN2 MCULE-5766686216 [0,1,0,1,0,0|1,0,0]=3 499 B15R2.562 CC1=CC=CC=C1CSC2=NCCN2 MCULE-8775671014 [0,1,0,1,0,0|1,0,0]=3 500 B15R2.562 ClC1=CC=CC=C1CNC2=NN=NN2 MCULE-5861403696 [0,1,0,1,0,0|2,0,0]=4 501 B15R2.562 ClC1=CC=CC=C1CSC2=NCCN2 MCULE-3747440636 [0,1,0,1,0,0|1,0,0]=3 502 B15R2.562 ClC1=CC=CC=C1CSC2=NCCN2 MCULE-9369927761 [0,1,0,1,0,0|1,0,0]=3 503 B15R2.562 FC1=CC=CC=C1CSC2=NCCN2 MCULE-2487862158 [0,1,0,1,0,0|1,0,0]=3 504 B15R2.562 FC1=CC=CC=C1CSC2=NCCN2 MCULE-9353594850 [0,1,0,1,0,0|1,0,0]=3 505 B15R2.100 BrC1=CC=C(C=C1)CNC2=NN=NN2 MCULE-9559463993 [0,1,0,1,0,0|2,0,0]=4 506 B15R2.100 BrC1=CC=C(C=C1)CSC2=NCCN2 MCULE-6191050244 [0,1,0,1,0,0|1,0,0]=3 507 B15R2.100 BrC1=CC=C(C=C1)CSC2=NCCN2 MCULE-6274602546 [0,1,0,1,0,0|1,0,0]=3 508 B15R2.100 CC1=CC=C(C=C1)CNC2=NCCS2 MCULE-7568258193 [0,1,0,1,0,0|1,0,0]=3 509 B15R2.100 CC1=CC=C(C=C1)CSC2=NCCN2 MCULE-1798337064 [0,1,0,1,0,0|1,0,0]=3 510 B15R2.100 CC1=CC=C(C=C1)CSC2=NCCN2 MCULE-2569007524 [0,1,0,1,0,0|1,0,0]=3 511 B15R2.100 CC1=CC=C(C=C1)CSC2=NCCS2 MCULE-1856916144 [0,1,0,1,0,0|2,0,0]=4 512 B15R2.100 ClC1=CC=C(C=C1)CNC2=NC=NN2 MCULE-1432821678 [0,1,0,1,0,0|1,0,1]=4 513 B15R2.100 ClC1=CC=C(C=C1)CNC2=NN=NN2 MCULE-5863576472 [0,1,0,1,0,0|2,0,0]=4 514 B15R2.100 ClC1=CC=C(C=C1)CSC2=NCCN2 MCULE-4409872969 [0,1,0,1,0,0|1,0,0]=3 515 B15R2.100 ClC1=CC=C(C=C1)CSC2=NCCN2 MCULE-9183926659 [0,1,0,1,0,0|1,0,0]=3 516 B15R2.100 ClC1=CC=C(C=C1)CSC2=NCCS2 MCULE-6224748875 [0,1,0,1,0,0|2,0,0]=4 517 B15R2.100 FC1=CC=C(C=C1)CNC2=NCCS2 MCULE-4401375828 [0,1,0,1,0,0|1,0,0]=3 518 B15R2.100 FC1=CC=C(C=C1)CSC2=NCCN2 MCULE-7157070321 [0,1,0,1,0,0|1,0,0]=3 519 B15R2.100 FC1=CC=C(C=C1)CSC2=NCCN2 MCULE-8449073451 [0,1,0,1,0,0|1,0,0]=3 520 B15R2.100 NC1=CC=C(C=C1)CNC2=NC=NN2 MCULE-2281469269 [0,1,0,1,0,0|1,0,1]=4 521 B15R2.64 O=C(NC1=CC=CC=C1)C2=NCCN2 MCULE-8462036227 [0,1,0,1,0,0|2,0,0]=4 522 B15R2.118 CSC1=NCCN1CC2=CC=CC=C2 MCULE-2476625689 [0,1,0,1,0,0|1,0,0]=3 523 B15R2.118 CSC1=NCCN1CC2=CC=CC=C2 MCULE-9619421607 [0,1,0,1,0,0|1,0,0]=3 524 B15R2.118 NNC1=NCCN1CC2=CC=CC=C2 MCULE-4829432339 [0,1,0,1,0,0|1,0,0]=3 525 B15R2.118 NNC1=NCCN1CC2=CC=CC=C2 MCULE-8054105859 [0,1,0,1,0,0|1,0,0]=3 526 B15R2.1117 BrC1=CC(=CC=C1)CNC2=NN=NN2 MCULE-3959244406 [0,1,0,1,0,0|2,0,0]=4 527 B15R2.1117 BrC1=CC=CC(=C1)CSC2=NCCS2 MCULE-7186376074 [0,1,0,1,0,0|2,0,0]=4 528 B15R2.1117 CC1=CC(=CC=C1)CSC2=NCCN2 MCULE-2679513794 [0,1,0,1,0,0|1,0,0]=3 529 B15R2.1117 CC1=CC(=CC=C1)CSC2=NCCN2 MCULE-9338107143 [0,1,0,1,0,0|1,0,0]=3 530 B15R2.1117 CC1=CC(=CC=C1)CSC2=NCCS2 MCULE-3411432789 [0,1,0,1,0,0|2,0,0]=4 531 B15R2.1117 ClC1=CC(=CC=C1)CNC2=NN=NN2 MCULE-6968592924 [0,1,0,1,0,0|2,0,0]=4 532 B15R2.1117 ClC1=CC(=CC=C1)CSC2=NCCN2 MCULE-8723202039 [0,1,0,1,0,0|1,0,0]=3 533 B15R2.1117 ClC1=CC(=CC=C1)CSC2=NCCN2 MCULE-9315750872 [0,1,0,1,0,0|1,0,0]=3 534 B15R2.1117 ClC1=CC(=CC=C1)CSC2=NCCS2 MCULE-8399845915 [0,1,0,1,0,0|2,0,0]=4 535 B15R2.1117 ClC1=CC=CC(=C1)NCC2=NCCN2 MCULE-4760056505 [0,1,0,1,0,0|2,0,0]=4 536 B15R2.1117 FC1=CC(=CC=C1)CSC2=NCCN2 MCULE-6249937894 [0,1,0,1,0,0|1,0,0]=3 537 B15R2.1117 FC1=CC(=CC=C1)CSC2=NCCN2 MCULE-6518331574 [0,1,0,1,0,0|1,0,0]=3 538 B15R2.1117 FC1=CC(=CC=C1)CSC2=NCCS2 MCULE-6072146690 [0,1,0,1,0,0|2,0,0]=4 539 B15R2.1117 FC1=CC=CC(=C1)OCC2=NCCN2 MCULE-8339480071 [0,1,0,1,0,0|2,0,0]=4 540 B15R2.55 CN1C=CN=C1SCC2=CC=CC=C2 MCULE-6170876376 [0,1,0,1,0,0|1,0,1]=4 541 B15R2.55 CN1C=NN=C1SCC2=CC=CC=C2 MCULE-6351986443 [0,1,0,1,0,0|1,0,1]=4 542 B15R2.55 CN1N=NN=C1NCC2=CC=CC=C2 MCULE-3703085676 [0,1,0,1,0,0|1,0,0]=3 543 B15R2.55 CN1N=NN=C1SCC2=CC=CC=C2 MCULE-6181595905 [0,1,0,1,0,0|2,0,0]=4 544 B15R2.283 CC1=NN=C(N1)SCC2=CC=CC=C2 MCULE-1655171126 [0,1,0,1,0,0|2,0,0]=4 545 B15R2.283 CC1=NN=C(S1)NCC2=CC=CC=C2 MCULE-4496633672 [0,1,0,1,0,0|2,0,0]=4 546 B15R2.283 CC1CN=C(S1)NCC2=CC=CC=C2 MCULE-9693221326 [0,1,0,1,0,0|1,0,0]=3 547 B15R2.283 CC1CN=C(S1)NCC2=CN=CC=C2 MCULE-4136125450 [0,1,0,1,0,0|2,0,0]=4 548 B15R2.283 CC1CN=C(S1)NCC2=NC=CC=C2 MCULE-7453739270 [0,1,0,1,0,0|2,0,0]=4 549 B15R2.283 CC1CNC(=N1)SCC2=CC=CC=C2 MCULE-3046673947 [0,1,0,1,0,0|1,0,0]=3 550 B15R2.283 CC1CNC(=N1)SCC2=CC=CC=C2 MCULE-5506368545 [0,1,0,1,0,0|1,0,0]=3 551 B15R2.283 CN1C=C(C=N1)NCC2=CC=CC=C2 MCULE-5594703618 [0,1,0,1,0,0|2,0,0]=4 552 B15R2.283 CN1C=C(C=N1)NCC2=CC=CC=C2 MCULE-8455678953 [0,1,0,1,0,0|2,0,0]=4 553 B15R2.283 CN1C=CC(=N1)NCC2=CC=CC=C2 MCULE-9423873986 [0,1,0,1,0,0|1,0,1]=4 554 B15R2.2195 C1=CC=C(C=C1)CNC2=NCCOC2 MCULE-1222862588 [0,1,0,1,0,0|1,0,0]=3 555 B15R2.2195 C1=CC=C(C=C1)CNC2=NCCOC2 MCULE-7292597596 [0,1,0,1,0,0|1,0,0]=3 556 B15R2.2195 C1=CC=C(C=C1)CNC2CCCNC2 MCULE-9212881580 [0,1,0,1,0,0|1,0,1]=4 557 B15R2.2195 C1=CC=C(C=C1)CN[C@H]2CCCNC2 MCULE-5670679422 [0,1,0,1,0,0|1,0,1]=4 558 B15R2.2195 C1=CC=C(C=C1)CSC2=NCCCN2 MCULE-1685047950 [0,1,0,1,0,0|1,0,0]=3 559 B15R2.2195 C1=CC=C(C=C1)CSC2=NCCCN2 MCULE-2088389162 [0,1,0,1,0,0|1,0,0]=3 560 B15R2.2195 C1=CC=C(C=C1)CSC2=NCCCN2 MCULE-7054891575 [0,1,0,1,0,0|1,0,0]=3 561 B11R1.25 CNC(=O)NCC1=CC=CS1 MCULE-1125755388 [1,0,0,0,1,0|2,0,0]=4 562 B11R1.25 CNC(=S)NCC1=CC=CO1 MCULE-7571062094 [1,0,0,0,1,0|2,0,0]=4 563 B11R1.25 CSC(=N)NCC1=CC=CO1 MCULE-1222298418 [1,0,0,0,1,0|2,0,0]=4 564 B11R1.25 CSC(=N)NCC1=CC=CO1 MCULE-2766058747 [1,0,0,0,1,0|2,0,0]=4 565 B11R1.40 C/C(=N/O)/NC1=CC=CC=C1 MCULE-6475676720 [1,0,0,0,1,0|1,0,0]=3 566 B11R1.40 CC(=NO)CC1=CC=CC=C1 MCULE-9546256998 [1,0,0,0,1,0|1,0,0]=3 567 B11R1.40 CC(CC1=CC=CC=C1)NN MCULE-3482099820 [1,0,0,0,1,0|1,0,1]=4 568 B11R1.40 CC(CC1=CC=CC=C1)NN MCULE-8568450824 [1,0,0,0,1,0|1,0,1]=4 569 B11R1.40 CCC(=O)CC1=CC=CC=C1 MCULE-7523781698 [1,0,0,0,1,0|2,0,0]=4 570 B11R1.40 CCC(=O)NC1=CC=CC=C1 MCULE-9489768560 [1,0,0,0,1,0|2,0,0]=4 571 B11R1.40 CCC(N)CC1=CC=CC=C1 MCULE-4408189370 [1,0,0,0,1,0|1,0,1]=4 572 B11R1.40 CCC(N)CC1=CC=CC=C1 MCULE-8389841254 [1,0,0,0,1,0|1,0,1]=4 573 B11R1.40 CCN(C)CC1=CC=CC=C1 MCULE-1501995705 [1,0,0,0,1,0|2,0,0]=4 574 B11R1.40 CC[C@@H](N)CC1=CC=CC=C1 MCULE-6883353783 [1,0,0,0,1,0|1,0,1]=4 575 B11R1.40 CC[C@H](N)CC1=CC=CC=C1 MCULE-5487493156 [1,0,0,0,1,0|1,0,1]=4 576 B11R1.40 CC[C@H](N)CC1=CC=CC=C1 MCULE-8206932127 [1,0,0,0,1,0|1,0,1]=4 577 B11R1.40 CC[C@H](N)CC1=CC=CC=C1 MCULE-9330044470 [1,0,0,0,1,0|1,0,1]=4 578 B11R1.40 CC[C@H](N)CC1=CC=CC=C1 MCULE-9714877499 [1,0,0,0,1,0|1,0,1]=4 579 B11R1.40 CN(CC1=CC=CC=C1)N=O MCULE-4905243970 [1,0,0,0,1,0|2,0,0]=4 580 B11R1.40 CNC(=O)CC1=CC=CC=C1 MCULE-9422828103 [1,0,0,0,1,0|1,0,0]=3 581 B11R1.40 CNC(=O)CC1=CC=NC=C1 MCULE-3254862360 [1,0,0,0,1,0|2,0,0]=4 582 B11R1.40 CNC(=O)CC1=CN=CC=C1 MCULE-2013104611 [1,0,0,0,1,0|2,0,0]=4 583 B11R1.40 CNC(=O)NC1=CC=CC=C1 MCULE-2126477060 [1,0,0,0,1,0|1,0,0]=3 584 B11R1.40 CNC(=O)NC1=NC=CC=C1 MCULE-5124855619 [1,0,0,0,1,0|2,0,0]=4 585 B11R1.40 CNC(=O)OC1=CC=CC=C1 MCULE-1213372064 [1,0,0,0,1,0|2,0,0]=4 586 B11R1.40 CNC(=S)NC1=CC=CC=C1 MCULE-6307535821 [1,0,0,0,1,0|1,0,0]=3 587 B11R1.40 CNC(=S)NC1=CC=NC=C1 MCULE-2676945352 [1,0,0,0,1,0|2,0,0]=4 588 B11R1.40 CNC(C)CC1=CC=CC=C1 MCULE-2450813889 [1,0,0,0,1,0|0,0,1]=3 589 B11R1.40 CNC(C)CC1=CC=CC=C1 MCULE-7173012300 [1,0,0,0,1,0|0,0,1]=3 590 B11R1.40 CNC(C)CC1=CC=CC=N1 MCULE-4248505052 [1,0,0,0,1,0|1,0,1]=4 591 B11R1.40 CN[C@@H](C)CC1=CC=CC=C1 MCULE-1039942656 [1,0,0,0,1,0|0,0,1]=3 592 B11R1.40 CN[C@@H](C)CC1=CC=CC=C1 MCULE-9902228217 [1,0,0,0,1,0|0,0,1]=3 593 B11R1.40 CN[C@H](C)CC1=CC=CC=C1 MCULE-1503526480 [1,0,0,0,1,0|0,0,1]=3 594 B11R1.40 CN[C@H](C)CC1=CC=CC=C1 MCULE-3857156599 [1,0,0,0,1,0|0,0,1]=3 595 B11R1.40 CN[C@H](C)CC1=CC=CC=C1 MCULE-8932834883 [1,0,0,0,1,0|0,0,1]=3 596 B11R1.40 COC(=N)CC1=CC=CC=C1 MCULE-1728026011 [1,0,0,0,1,0|1,0,0]=3 597 B11R1.40 COC(=N)CC1=CC=CC=C1 MCULE-9798697339 [1,0,0,0,1,0|1,0,0]=3 598 B11R1.40 COC(=O)CC1=CC=CC=C1 MCULE-9593207528 [1,0,0,0,1,0|2,0,0]=4 599 B11R1.40 COC(=O)NC1=CC=CC=C1 MCULE-9963141033 [1,0,0,0,1,0|2,0,0]=4 600 B11R1.40 COC(=S)NC1=CC=CC=C1 MCULE-8930856609 [1,0,0,0,1,0|2,0,0]=4 601 B11R1.40 CS/C(=N/C1=CC=CC=C1)/N MCULE-4877073993 [1,0,0,0,1,0|1,0,1]=4 602 B11R1.40 CS/C(=N/C1=CC=CC=C1)/N MCULE-5502358850 [1,0,0,0,1,0|1,0,1]=4 603 B11R1.40 CSC(=S)NC1=CC=CC=C1 MCULE-5125478673 [1,0,0,0,1,0|2,0,0]=4 604 B11R1.40 N/C(=N\O)/CC1=CC=CC=C1 MCULE-3768837989 [1,0,0,0,1,0|1,0,0]=3 605 B11R1.40 N/C(=N\O)/C[N+]1=CC=CC=C1 MCULE-2220352401 [1,0,0,0,1,0|2,0,0]=4 606 B11R1.40 N/C(=N\O)/C[N+]1=CC=CC=C1 MCULE-3219337611 [1,0,0,0,1,0|2,0,0]=4 607 B11R1.40 N=C(CC1=CC=CN=C1)NO MCULE-3322937541 [1,0,0,0,1,0|2,0,0]=4 608 B11R1.40 N=C(CC1=CC=NC=C1)NO MCULE-3266353231 [1,0,0,0,1,0|2,0,0]=4 609 B11R1.40 N=C(CC1=NC=CC=C1)NO MCULE-9368445193 [1,0,0,0,1,0|2,0,0]=4 610 B11R1.40 NNC(=O)CC1=CC=CC=C1 MCULE-9773059659 [1,0,0,0,1,0|2,0,0]=4 611 B11R1.40 NNC(=O)NC1=CC=CC=C1 MCULE-3907940142 [1,0,0,0,1,0|2,0,0]=4 612 B11R1.40 NNC(=O)NC1=CC=CC=C1 MCULE-8405939447 [1,0,0,0,1,0|2,0,0]=4 613 B11R1.40 NNC(=S)NC1=CC=CC=C1 MCULE-6436278581 [1,0,0,0,1,0|2,0,0]=4 614 B11R1.40 O=C(CC1=CC=CC=C1)NO MCULE-5154879216 [1,0,0,0,1,0|2,0,0]=4 615 B11R1.40 O=C(NO)NC1=CC=CC=C1 MCULE-2718314619 [1,0,0,0,1,0|2,0,0]=4 616 B11R1.40 ON=C(Cl)CC1=CC=CC=C1 MCULE-3829443463 [1,0,0,0,1,0|2,0,0]=4 617 B11R1.40 ONC(=S)NC1=CC=CC=C1 MCULE-2618017574 [1,0,0,0,1,0|2,0,0]=4 618 B11R1.12 C/N=C(\NC)/C1=CC=CC=C1 MCULE-1749364208 [0,0,0,0,2,0|0,0,0]=2 619 B11R1.12 C/N=C(\NC)/C1=CC=CC=C1 MCULE-4948221691 [0,0,0,0,2,0|0,0,0]=2 620 B11R1.12 CC/C(=N\O)/C1=CC=CC=C1 MCULE-5876880658 [0,0,0,0,2,0|2,0,0]=4 621 B11R1.12 CCC(=NO)C1=CC=CC=C1 MCULE-6278729729 [0,0,0,0,2,0|2,0,0]=4 622 B11R1.12 CCC(NC)C1=CC=CC=C1 MCULE-1943051415 [0,0,0,0,2,0|1,0,1]=4 623 B11R1.12 CCC(NC)C1=CC=CC=C1 MCULE-7984471895 [0,0,0,0,2,0|1,0,1]=4 624 B13R1.718 CCC(C)NCCC1=CC=CC=C1 MCULE-4385858609 [1,0,0,0,0,1|1,0,1]=4 625 B13R1.718 CCC(C)NCCC1=CC=CC=C1 MCULE-6689510528 [1,0,0,0,0,1|1,0,1]=4 626 B13R1.718 CNC(=O)CCSC1=CC=CC=C1 MCULE-6159086658 [1,0,0,0,0,1|2,0,0]=4 627 B13R1.718 CNC(=O)CNCC1=CC=CC=C1 MCULE-6270610162 [1,0,0,0,0,1|1,0,0]=3 628 B13R1.718 CNC(=O)CNCC1=CC=CC=C1 MCULE-8214235039 [1,0,0,0,0,1|1,0,0]=3 629 B13R1.718 CNC(=O)CSCC1=CC=CC=C1 MCULE-5141296485 [1,0,0,0,0,1|2,0,0]=4 630 B13R1.718 CNC(=O)NCCC1=CC=CC=C1 MCULE-3653492163 [1,0,0,0,0,1|1,0,0]=3 631 B13R1.718 CNC(=O)NCCC1=CC=CC=N1 MCULE-9555474091 [1,0,0,0,0,1|2,0,0]=4 632 B13R1.718 CNC(=O)NCCC1=CC=CN=C1 MCULE-9500552779 [1,0,0,0,0,1|2,0,0]=4 633 B13R1.718 CNC(=O)NCCC1=CC=NC=C1 MCULE-3064717446 [1,0,0,0,0,1|2,0,0]=4 634 B13R1.718 CNC(=S)NCCC1=CC=CC=C1 MCULE-2227307094 [1,0,0,0,0,1|1,0,0]=3 635 B13R1.718 CNC(=S)NN=CC1=CC=CC=C1 MCULE-4365184393 [1,0,0,0,0,1|1,0,1]=4 636 B13R1.718 COC(=O)CNCC1=CC=CC=C1 MCULE-3784754204 [1,0,0,0,0,1|2,0,0]=4 637 B13R1.718 COC(=O)CNCC1=CC=CC=C1 MCULE-4605395832 [1,0,0,0,0,1|2,0,0]=4 638 B13R1.718 COC(=O)NCCC1=CC=CC=C1 MCULE-2703941598 [1,0,0,0,0,1|2,0,0]=4 639 B13R1.718 COC(=O)NOCC1=CC=CC=C1 MCULE-4634375826 [1,0,0,0,0,1|2,0,0]=4 640 B13R1.718 N/C(=N/O)/CCCC1=CC=CC=C1 MCULE-7271784069 [1,0,0,0,0,1|2,0,0]=4 641 B13R1.718 N/C(=N\O)/CCNC1=CC=CC=C1 MCULE-5058872331 [1,0,0,0,0,1|2,0,0]=4 642 B13R1.718 N/C(=N\O)/COCC1=CC=CC=C1 MCULE-6140394185 [1,0,0,0,0,1|2,0,0]=4 643 B13R1.718 N=C(NN)NN=CC1=CC=CC=C1 MCULE-4914089205 [1,0,0,0,0,1|1,0,1]=4 644 B13R1.718 NNC(=O)CNCC1=CC=CC=C1 MCULE-3252975488 [1,0,0,0,0,1|2,0,0]=4 645 B13R1.718 NNC(=S)NCCC1=CC=CC=C1 MCULE-2761253472 [1,0,0,0,0,1|2,0,0]=4