0 B5R0.1 CC(=O)NCO 02319 [0,0,0,0,0,0|2,1,0]=3 1 B5R0.1 CCOC(C)=O 00757 [0,0,0,0,0,0|3,0,0]=3 2 B5R0.1 CCOC(C)=O 30066 [0,0,0,0,0,0|3,0,0]=3 3 B5R0.1 CCOC(N)=O 27154 [0,0,0,0,0,0|4,0,0]=4 4 B5R0.1 CN(C)CCN 22268 [0,0,0,0,0,0|2,0,1]=3 5 B5R0.1 C\C(N)=C/C#N 28659 [0,0,0,0,0,0|2,0,1]=3 6 B5R0.1 C\C=C\C(=O)O 26844 [0,0,0,0,0,0|3,0,1]=4 7 B5R0.1 NCCC(=O)O 00324 [0,0,0,0,0,0|3,0,1]=4 8 B5R0.1 NCCC(N)=O 04406 [0,0,0,0,0,0|3,0,1]=4 9 B5R0.1 O=C(O)CCBr 24459 [0,0,0,0,0,0|3,0,1]=4 10 B5R0.1 O=C(O)\C=C/Br 16527 [0,0,0,0,0,0|3,0,1]=4 11 B5R0.1 O=C(O)\C=C/I 16560 [0,0,0,0,0,0|3,0,1]=4 12 B4R0.1 C=C(C)CN 22406 [1,0,0,0,0,0|1,0,1]=3 13 B4R0.1 C=CC(N)=O 00004 [1,0,0,0,0,0|2,0,1]=4 14 B4R0.1 CC(=O)O[Ag] 27325 [1,0,0,0,0,0|3,0,0]=4 15 B4R0.1 CC(=O)O[TlH2] 01944 [1,0,0,0,0,0|3,0,0]=4 16 B4R0.1 CC(C)NN 31308 [1,0,0,0,0,0|2,0,1]=4 17 B4R0.1 CC(C)NO 31263 [1,0,0,0,0,0|1,1,1]=4 18 B4R0.1 CC(O)CO 02837 [1,0,0,0,0,0|1,1,1]=4 19 B4R0.1 CC(O)CO 30099 [1,0,0,0,0,0|1,1,1]=4 20 B4R0.1 CCC(=O)O 01518 [1,0,0,0,0,0|2,0,1]=4 21 B4R0.1 CCC(=O)O 30086 [1,0,0,0,0,0|2,0,1]=4 22 B4R0.1 CCC(=O)[O-] 01519 [1,0,0,0,0,0|2,0,1]=4 23 B4R0.1 CN(C)C=O 00575 [1,0,0,0,0,0|1,1,0]=3 24 B4R0.1 CN(C)C=O 30143 [1,0,0,0,0,0|1,1,0]=3 25 B4R0.1 CNC(C)=O 27186 [1,0,0,0,0,0|2,0,0]=3 26 B4R0.1 COC(C)=N 02332 [1,0,0,0,0,0|2,0,0]=3 27 B4R0.1 CSC(=N)N 29498 [1,0,0,0,0,0|3,0,0]=4 28 B4R0.1 C[C@@H](N)CO 03170 [1,0,0,0,0,0|1,1,1]=4 29 B4R0.1 C[C@@H](O)CN 16633 [1,0,0,0,0,0|2,0,1]=4 30 B4R0.1 C[C@H](N)CO 03169 [1,0,0,0,0,0|1,1,1]=4 31 B4R0.1 C[C@H](O)CN 16632 [1,0,0,0,0,0|2,0,1]=4 32 B4R0.1 C[N+](C)=CCl 30327 [1,0,0,0,0,0|2,0,0]=3 33 B4R0.1 NC(=O)CBr 00841 [1,0,0,0,0,0|3,0,0]=4 34 B4R0.1 NC(=O)CI 02327 [1,0,0,0,0,0|3,0,0]=4 35 B4R0.1 NC(=O)CO 22515 [1,0,0,0,0,0|2,1,0]=4 36 B4R0.1 NCC(=O)O 00163 [1,0,0,0,0,0|3,0,0]=4 37 B4R0.1 NCC(=O)O 00164 [1,0,0,0,0,0|3,0,0]=4 38 B4R0.1 NCC(=O)O 32005 [1,0,0,0,0,0|3,0,0]=4 39 B4R0.1 NCC(=O)[O-] 21750 [1,0,0,0,0,0|3,0,0]=4 40 B4R0.1 NCC(N)=O 01302 [1,0,0,0,0,0|3,0,0]=4 41 B4R0.1 NCC(N)=O 06066 [1,0,0,0,0,0|3,0,0]=4 42 B4R0.1 O=C(O)CBr 26843 [1,0,0,0,0,0|3,0,0]=4 43 B4R0.1 O=C(O)CCl 32016 [1,0,0,0,0,0|3,0,0]=4 44 B4R0.1 O=C(O)CS 01637 [1,0,0,0,0,0|2,0,0]=3 45 B4R0.1 O=C([O-])CS 00276 [1,0,0,0,0,0|2,0,0]=3 46 B4R0.2 C=CCCBr 24439 [1,0,0,0,0,0|1,0,2]=4 47 B4R0.2 CC#CCO 26851 [1,0,0,0,0,0|0,1,2]=4 48 B4R0.2 CCCCBr 24440 [1,0,0,0,0,0|1,0,2]=4 49 B4R0.2 CCNCC 14089 [1,0,0,0,0,0|2,0,1]=4 50 B4R0.2 CNCCCl 22455 [1,0,0,0,0,0|2,0,1]=4 51 B4R0.2 COCCBr 26740 [1,0,0,0,0,0|2,0,1]=4 52 B6R0.1 CCOC(=O)CN 03073 [0,1,0,0,0,0|3,0,0]=4 53 B6R0.1 CCO\C(C)=N\O 31305 [0,1,0,0,0,0|3,0,0]=4 54 B6R0.1 COC(=O)CCBr 06991 [0,1,0,0,0,0|2,0,1]=4 55 B6R0.1 COC(=O)CCN 04408 [0,1,0,0,0,0|2,0,1]=4 56 B6R0.2 CC(C)NC(C)C 00951 [0,1,0,0,0,0|2,0,1]=4 57 B6R0.2 CC(C)NC(C)C 00961 [0,1,0,0,0,0|2,0,1]=4 58 B6R0.2 CC(C)OC(C)C 29985 [0,1,0,0,0,0|2,0,1]=4 59 B6R0.2 CC(Cl)CN(C)C 00117 [0,1,0,0,0,0|2,0,1]=4 60 B6R0.3 C=CC(=O)N(C)C 30343 [0,1,0,0,0,0|2,0,1]=4 61 B6R0.3 CC(C)[C@@H](N)CO 05378 [0,1,0,0,0,0|0,1,2]=4 62 B6R0.3 CC(C)[C@H](N)CO 03236 [0,1,0,0,0,0|0,1,2]=4 63 B6R0.3 CC(C)[C@H](N)CO 21447 [0,1,0,0,0,0|0,1,2]=4 64 B6R0.3 CCC(=O)C(=O)[O-] 00470 [0,1,0,0,0,0|3,0,0]=4 65 B6R0.3 CN(C)C(=O)CN 06069 [0,1,0,0,0,0|2,0,0]=3 66 B6R0.3 CN(C)C(=O)CN 14018 [0,1,0,0,0,0|2,0,0]=3 67 B6R0.3 COC(=N)C(C)C 24297 [0,1,0,0,0,0|2,0,1]=4 68 B6R0.3 NC(CS)C(=O)O 21500 [0,1,0,0,0,0|2,0,1]=4 69 B6R0.3 NC(CS)C(=O)O 21624 [0,1,0,0,0,0|2,0,1]=4 70 B6R0.3 NC(CS)C(=O)O 21654 [0,1,0,0,0,0|2,0,1]=4 71 B6R0.3 N[C@@H](CS)C(=O)O 00085 [0,1,0,0,0,0|2,0,1]=4 72 B6R0.3 N[C@@H](CS)C(=O)O 00087 [0,1,0,0,0,0|2,0,1]=4 73 B6R0.3 N[C@@H](CS)C(=O)O 00437 [0,1,0,0,0,0|2,0,1]=4 74 B6R0.3 N[C@@H](CS)C(=O)O 24758 [0,1,0,0,0,0|2,0,1]=4 75 B6R0.3 N[C@@H](CS)C(=O)O 31108 [0,1,0,0,0,0|2,0,1]=4 76 B6R0.3 N[C@H](CS)C(=O)O 00086 [0,1,0,0,0,0|2,0,1]=4 77 B6R0.3 N[C@H](CS)C(=O)O 21754 [0,1,0,0,0,0|2,0,1]=4 78 B6R0.4 CC(C)NCCN 22357 [0,1,0,0,0,0|1,0,2]=4 79 B6R0.4 CCCNC(C)C 22381 [0,1,0,0,0,0|1,0,2]=4 80 B6R0.4 O=C(O)CCCS 22299 [0,1,0,0,0,0|2,0,1]=4 81 B6R0.5 C[N+](C)(C)CCO 00453 [0,1,0,0,0,0|1,1,1]=4 82 B6R0.5 C[Si](C)(C)CCO 23185 [0,1,0,0,0,0|0,2,1]=4 83 B6R1.2 BrC1=CSN=C1 17479 [0,0,0,1,0,0|2,0,1]=4 84 B6R1.2 CC1=CSC=N1 26939 [0,0,0,1,0,0|1,0,2]=4 85 B6R1.2 CC1=NCCC1 29954 [0,0,0,1,0,0|2,0,0]=3 86 B6R1.2 N=C1CCCS1 02326 [0,0,0,1,0,0|3,0,0]=4 87 B6R1.2 O=C1CCCC1 26774 [0,0,0,1,0,0|2,0,1]=4 88 B6R1.2 O=C1CCCN1 26934 [0,0,0,1,0,0|3,0,0]=4 89 B6R1.2 O=C1CCNC1 31268 [0,0,0,1,0,0|2,0,1]=4 90 B6R1.2 O=C1CCSC1 29785 [0,0,0,1,0,0|1,0,1]=3 91 B6R1.5 CN1CC(N)C1 19363 [0,0,0,1,0,0|2,0,1]=4 92 B3R0.1 CNOC 02098 [2,0,0,0,0,0|2,0,0]=4 93 B3R0.1 NCCS 02839 [2,0,0,0,0,0|1,0,1]=4 94 B3R0.1 NCCS 21200 [2,0,0,0,0,0|1,0,1]=4 95 B3R0.2 C=[N+](C)C 31541 [2,0,0,0,0,0|1,0,0]=3 96 B3R0.2 CC(=N)N 27346 [2,0,0,0,0,0|2,0,0]=4 97 B3R0.2 CC(=O)O 00594 [2,0,0,0,0,0|1,1,0]=4 98 B3R0.2 CC(=O)O 02028 [2,0,0,0,0,0|1,1,0]=4 99 B3R0.2 CC(=O)O 21997 [2,0,0,0,0,0|1,1,0]=4 100 B3R0.2 CC(=O)O 30173 [2,0,0,0,0,0|1,1,0]=4 101 B3R0.2 CC(=O)[O-] 00266 [2,0,0,0,0,0|1,1,0]=4 102 B3R0.2 CC(=O)[O-] 01243 [2,0,0,0,0,0|1,1,0]=4 103 B3R0.2 CC(=O)[O-] 01258 [2,0,0,0,0,0|1,1,0]=4 104 B3R0.2 CC(=O)[O-] 26484 [2,0,0,0,0,0|1,1,0]=4 105 B3R0.2 CC(=O)[O-] 26485 [2,0,0,0,0,0|1,1,0]=4 106 B3R0.2 CC(=O)[O-] 29853 [2,0,0,0,0,0|1,1,0]=4 107 B3R0.2 CC(=O)[O-] 29854 [2,0,0,0,0,0|1,1,0]=4 108 B3R0.2 CC(=O)[O-] 30055 [2,0,0,0,0,0|1,1,0]=4 109 B3R0.2 CC(=O)[O-] 30594 [2,0,0,0,0,0|1,1,0]=4 110 B3R0.2 CC(=O)[O-] 30668 [2,0,0,0,0,0|1,1,0]=4 111 B3R0.2 CC(=O)[O-] 30684 [2,0,0,0,0,0|1,1,0]=4 112 B3R0.2 CC(=O)[O-] 31631 [2,0,0,0,0,0|1,1,0]=4 113 B3R0.2 CC(C)=O 02889 [2,0,0,0,0,0|0,1,0]=3 114 B3R0.2 CC(C)=O 30101 [2,0,0,0,0,0|0,1,0]=3 115 B3R0.2 CC(C)I 00790 [2,0,0,0,0,0|1,0,1]=4 116 B3R0.2 CC(N)=O 06814 [2,0,0,0,0,0|1,1,0]=4 117 B3R0.2 CC(N)=S 02358 [2,0,0,0,0,0|1,0,1]=4 118 B3R0.2 CC(N)=S 30174 [2,0,0,0,0,0|1,0,1]=4 119 B3R0.2 CN(C)C 30724 [2,0,0,0,0,0|1,0,0]=3 120 B3R0.2 CS(C)=O 00635 [2,0,0,0,0,0|1,1,0]=4 121 B3R0.2 CS(C)=O 30145 [2,0,0,0,0,0|1,1,0]=4 122 B5R0.3 CCN(C)CC 22533 [1,1,0,0,0,0|1,0,1]=4 123 B5R0.3 CNC(=O)CN 03070 [1,1,0,0,0,0|2,0,0]=4 124 B5R0.3 CNC(=O)NC 02542 [1,1,0,0,0,0|2,0,0]=4 125 B5R0.3 COC(=O)CBr 14023 [1,1,0,0,0,0|2,0,0]=4 126 B5R0.3 COC(=O)CN 03074 [1,1,0,0,0,0|2,0,0]=4 127 B5R0.3 OCC(O)CS 00691 [1,1,0,0,0,0|1,0,1]=4 128 B5R0.4 CC(C)(N)CO 00681 [1,1,0,0,0,0|0,1,1]=4 129 B5R0.4 CC(C)(N)CO 01156 [1,1,0,0,0,0|0,1,1]=4 130 B5R0.5 CC(=O)C(=O)O 01522 [1,1,0,0,0,0|1,1,0]=4 131 B5R0.5 CC(=O)C(=O)[O-] 01189 [1,1,0,0,0,0|1,1,0]=4 132 B5R0.5 CC(=O)C(C)O 02002 [1,1,0,0,0,0|1,0,1]=4 133 B5R0.5 CC(=O)N(C)C 02302 [1,1,0,0,0,0|1,0,0]=3 134 B5R0.5 CN(C)C(=N)N 27353 [1,1,0,0,0,0|2,0,0]=4 135 B5R0.5 CN(C)C(N)=O 21201 [1,1,0,0,0,0|1,1,0]=4 136 B5R0.2 NOC\C=C\Cl 29100 [1,1,0,0,0,0|1,1,0]=4 137 B7R0.2 CC(C)OC(=O)CN 12060 [0,2,0,0,0,0|1,0,1]=4 138 B7R0.2 CCC(=O)\C=C(/C)O 24068 [0,2,0,0,0,0|2,0,0]=4 139 B7R0.5 CCOC(=O)C(C)=O 21912 [0,2,0,0,0,0|2,0,0]=4 140 B7R0.5 CNCC(=O)N(C)C 06367 [0,2,0,0,0,0|2,0,0]=4 141 B7R0.10 COC(=O)[C@@H](N)CS 12007 [0,2,0,0,0,0|1,0,1]=4 142 B7R0.16 CC(C)=C(Cl)N(C)C 31461 [0,2,0,0,0,0|2,0,0]=4 143 B5R1.2 O=C1COC1 31468 [1,0,0,1,0,0|1,1,0]=4 144 B5R1.3 BrCC1CC1 07249 [1,0,0,1,0,0|1,0,1]=4 145 B7R1.3 O=C1C=CCCC1 31546 [0,1,0,1,0,0|2,0,0]=4 146 B7R1.4 CN1CCCC1=O 00741 [0,1,0,1,0,0|2,0,0]=4 147 B7R1.4 CN1CCCC1=O 30063 [0,1,0,1,0,0|2,0,0]=4