0 B7R0.4 C#C\C=C\NC(N)=O Amb28456514 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.4 C=C(C)CC\C=C\C Amb25746764 [0,0,0,0,0,0|2,0,2]=4 2 B7R0.4 C=C(C)C\C=C\C=O Amb18640955 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.4 C=C=CSCC(=O)O Amb27812092 [0,0,0,0,0,0|1,0,3]=4 4 B7R0.4 C=CC#CCC(=O)O Amb27162652 [0,0,0,0,0,0|0,0,4]=4 5 B7R0.4 C=CCC#CC(=O)O Amb28252724 [0,0,0,0,0,0|0,0,4]=4 6 B7R0.4 C=CCCCC(=O)O Amb3941675 [0,0,0,0,0,0|0,0,4]=4 7 B7R0.4 C=CCNCC(=O)O Amb7766404 [0,0,0,0,0,0|1,0,3]=4 8 B7R0.4 C=CCNCC(=O)O Amb8631497 [0,0,0,0,0,0|1,0,3]=4 9 B7R0.4 C=CCOCC(=O)O Amb9208694 [0,0,0,0,0,0|1,0,3]=4 10 B7R0.4 C=CCSCC(=O)O Amb33526723 [0,0,0,0,0,0|1,0,3]=4 11 B7R0.4 C=CNCCC(=O)O Amb27429817 [0,0,0,0,0,0|1,0,3]=4 12 B7R0.4 C=COCCC(=O)O Amb28350126 [0,0,0,0,0,0|1,0,3]=4 13 B7R0.4 C=C\C=C\CC(=O)O Amb34916435 [0,0,0,0,0,0|0,0,2]=2 14 B7R0.4 C=C\C=C\C[C@@H](C)O Amb27946739 [0,0,0,0,0,0|1,0,3]=4 15 B7R0.4 CC#CC#CC(=O)O Amb25230912 [0,0,0,0,0,0|0,0,4]=4 16 B7R0.4 CC#CCCC(=O)O Amb3987196 [0,0,0,0,0,0|0,0,4]=4 17 B7R0.4 CC#C\C=C\[C@@H](C)O Amb27431386 [0,0,0,0,0,0|1,0,3]=4 18 B7R0.4 CC(=O)C=C=CCO Amb28284681 [0,0,0,0,0,0|2,0,2]=4 19 B7R0.4 CC(=O)C\C=C\C=O Amb27165276 [0,0,0,0,0,0|2,0,1]=3 20 B7R0.4 CC(=O)OC\C=C/Br Amb26652075 [0,0,0,0,0,0|3,0,1]=4 21 B7R0.4 CC(=O)OC\C=C/Cl Amb27843145 [0,0,0,0,0,0|3,0,1]=4 22 B7R0.4 CC(=O)OC\C=C\Br Amb27467221 [0,0,0,0,0,0|3,0,1]=4 23 B7R0.4 CC(=O)\C=C/C=C\Br Amb27858614 [0,0,0,0,0,0|2,0,0]=2 24 B7R0.4 CC(=O)\C=C\C=C\Cl Amb27233379 [0,0,0,0,0,0|2,0,0]=2 25 B7R0.4 CC(=O)\C=C\CCF Amb33196081 [0,0,0,0,0,0|2,0,2]=4 26 B7R0.4 CC(=O)\C=C\CCO Amb26479998 [0,0,0,0,0,0|2,0,2]=4 27 B7R0.4 CC(C)=C\C=C/C=O Amb27169113 [0,0,0,0,0,0|3,0,0]=3 28 B7R0.4 CC(C)=C\C=C\CCl Amb27778733 [0,0,0,0,0,0|3,0,1]=4 29 B7R0.4 CC(C)=C\C=C\CO Amb28400370 [0,0,0,0,0,0|3,0,1]=4 30 B7R0.4 CC(O)\C=C\C=C\Cl Amb27454846 [0,0,0,0,0,0|2,0,1]=3 31 B7R0.4 CCC#CCC(=O)O Amb26515701 [0,0,0,0,0,0|0,0,4]=4 32 B7R0.4 CCC=C=CC(C)=O Amb25830543 [0,0,0,0,0,0|1,0,2]=3 33 B7R0.4 CCCC#CC(=O)O Amb2721706 [0,0,0,0,0,0|0,0,4]=4 34 B7R0.4 CCCCCC(=O)O Amb3939846 [0,0,0,0,0,0|0,0,4]=4 35 B7R0.4 CCCNCC(=O)O Amb10609640 [0,0,0,0,0,0|1,0,3]=4 36 B7R0.4 CCCNCC(=O)O Amb1110628 [0,0,0,0,0,0|1,0,3]=4 37 B7R0.4 CCCOCC(=O)O Amb8874504 [0,0,0,0,0,0|1,0,3]=4 38 B7R0.4 CCCSCC(=O)O Amb1137113 [0,0,0,0,0,0|1,0,3]=4 39 B7R0.4 CCC\C=C/C(C)=O Amb17593161 [0,0,0,0,0,0|1,0,2]=3 40 B7R0.4 CCC\C=C\C(=N)N Amb33358507 [0,0,0,0,0,0|2,0,2]=4 41 B7R0.4 CCC\C=C\C(=O)Cl Amb2688716 [0,0,0,0,0,0|1,0,2]=3 42 B7R0.4 CCC\C=C\C(=O)O Amb2688715 [0,0,0,0,0,0|0,0,2]=2 43 B7R0.4 CCC\C=C\C(C)=O Amb20240563 [0,0,0,0,0,0|1,0,2]=3 44 B7R0.4 CCC\C=C\C(C)O Amb25083446 [0,0,0,0,0,0|1,0,3]=4 45 B7R0.4 CCC\C=C\C(N)=O Amb26397290 [0,0,0,0,0,0|1,0,2]=3 46 B7R0.4 CCC\C=C\[C@@H](C)O Amb33429966 [0,0,0,0,0,0|1,0,3]=4 47 B7R0.4 CCC\C=C\[C@H](C)O Amb27857282 [0,0,0,0,0,0|1,0,3]=4 48 B7R0.4 CCC\C=C\[N+](=O)[O-] Amb24558342 [0,0,0,0,0,0|1,0,3]=4 49 B7R0.4 CCN=C=CC(C)=O Amb24481402 [0,0,0,0,0,0|2,0,2]=4 50 B7R0.4 CCNCCC(=O)O Amb28934794 [0,0,0,0,0,0|1,0,3]=4 51 B7R0.4 CCNCCC(=O)O Amb7766402 [0,0,0,0,0,0|1,0,3]=4 52 B7R0.4 CCNNCC(=O)O Amb28326075 [0,0,0,0,0,0|2,0,2]=4 53 B7R0.4 CCOCCC(=O)O Amb3939859 [0,0,0,0,0,0|1,0,3]=4 54 B7R0.4 CCO\C=C\B(O)O Amb28430050 [0,0,0,0,0,0|2,0,2]=4 55 B7R0.4 CCO\C=C\C(=O)Cl Amb33943049 [0,0,0,0,0,0|2,0,1]=3 56 B7R0.4 CCO\C=C\C(=O)O Amb2725260 [0,0,0,0,0,0|1,0,1]=2 57 B7R0.4 CCO\C=C\C(C)=O Amb25330041 [0,0,0,0,0,0|2,0,1]=3 58 B7R0.4 CCO\N=C\C(=O)O Amb27468748 [0,0,0,0,0,0|2,0,1]=3 59 B7R0.4 CCO\N=C\C(N)=O Amb27949484 [0,0,0,0,0,0|3,0,1]=4 60 B7R0.4 CCSCCC(=O)O Amb6273140 [0,0,0,0,0,0|1,0,3]=4 61 B7R0.4 CCS\C=C/C(C)=O Amb28122375 [0,0,0,0,0,0|2,0,1]=3 62 B7R0.4 CC\C=C/CC(=O)O Amb2720526 [0,0,0,0,0,0|0,0,2]=2 63 B7R0.4 CC\C=C/CC(C)=O Amb27974504 [0,0,0,0,0,0|1,0,2]=3 64 B7R0.4 CC\C=C\CC(=O)Cl Amb27228151 [0,0,0,0,0,0|1,0,2]=3 65 B7R0.4 CC\C=C\CC(=O)O Amb3940332 [0,0,0,0,0,0|0,0,2]=2 66 B7R0.4 CC\C=C\CC(C)=O Amb25953857 [0,0,0,0,0,0|1,0,2]=3 67 B7R0.4 CC\C=C\CC(C)O Amb33079090 [0,0,0,0,0,0|1,0,3]=4 68 B7R0.4 CC\C=C\CC(N)=S Amb33225501 [0,0,0,0,0,0|1,1,2]=4 69 B7R0.4 CC\C=C\CN(C)O Amb33268704 [0,0,0,0,0,0|2,0,2]=4 70 B7R0.4 CC\C=C\C[C@@H](C)O Amb33359513 [0,0,0,0,0,0|1,0,3]=4 71 B7R0.4 CC\C=C\C[C@H](C)O Amb33474377 [0,0,0,0,0,0|1,0,3]=4 72 B7R0.4 CC\C=C\C[N+](=O)[O-] Amb33267962 [0,0,0,0,0,0|1,0,3]=4 73 B7R0.4 CC\C=C\C[PH](=O)O Amb8391288 [0,0,0,0,0,0|1,0,2]=3 74 B7R0.4 CC\C=N\NC(N)=O Amb26899579 [0,0,0,0,0,0|3,0,1]=4 75 B7R0.4 CNCC#CC(=O)O Amb27218273 [0,0,0,0,0,0|1,0,3]=4 76 B7R0.4 CNCCCC(=O)O Amb1153115 [0,0,0,0,0,0|1,0,3]=4 77 B7R0.4 CNCCCC(=O)O Amb4521435 [0,0,0,0,0,0|1,0,3]=4 78 B7R0.4 CNC\C=C\C(=O)O Amb25368293 [0,0,0,0,0,0|1,0,1]=2 79 B7R0.4 COCC#CC(=O)O Amb33544473 [0,0,0,0,0,0|1,0,3]=4 80 B7R0.4 COCCCC(=O)O Amb6275629 [0,0,0,0,0,0|1,0,3]=4 81 B7R0.4 COCOCC(=O)O Amb28059312 [0,0,0,0,0,0|2,0,2]=4 82 B7R0.4 COCSCC(=O)O Amb27466837 [0,0,0,0,0,0|2,0,2]=4 83 B7R0.4 COC\C=C\B(O)O Amb17617079 [0,0,0,0,0,0|2,0,2]=4 84 B7R0.4 COC\C=C\C(=O)O Amb33986212 [0,0,0,0,0,0|1,0,1]=2 85 B7R0.4 COC\C=C\C(C)=O Amb33359822 [0,0,0,0,0,0|2,0,1]=3 86 B7R0.4 COC\C=C\[N+](=O)[O-] Amb33428677 [0,0,0,0,0,0|2,0,2]=4 87 B7R0.4 CO\C=C/NC(C)=O Amb27391649 [0,0,0,0,0,0|3,0,0]=3 88 B7R0.4 CO\C=C\NC(C)=O Amb28198239 [0,0,0,0,0,0|3,0,0]=3 89 B7R0.4 CSCCCC(=O)O Amb17503622 [0,0,0,0,0,0|1,0,3]=4 90 B7R0.4 CSCSCC(=O)O Amb27858824 [0,0,0,0,0,0|2,0,2]=4 91 B7R0.4 CSC\C=C/C(C)=O Amb25713058 [0,0,0,0,0,0|2,0,1]=3 92 B7R0.4 CSC\C=C\C(C)=O Amb33359530 [0,0,0,0,0,0|2,0,1]=3 93 B7R0.4 CSC\C=C\[N+](=O)[O-] Amb33271736 [0,0,0,0,0,0|2,0,2]=4 94 B7R0.4 CSSCCC(=O)O Amb26848465 [0,0,0,0,0,0|2,0,2]=4 95 B7R0.4 CS\C=C\CC(=O)O Amb26656267 [0,0,0,0,0,0|1,0,1]=2 96 B7R0.4 C\C(Cl)=C\C=C\CCl Amb27849935 [0,0,0,0,0,0|3,0,1]=4 97 B7R0.4 C\C=C/C=C/C(C)=O Amb28129038 [0,0,0,0,0,0|1,0,0]=1 98 B7R0.4 C\C=C\C#CC(=O)O Amb17593127 [0,0,0,0,0,0|0,0,2]=2 99 B7R0.4 C\C=C\C#CC(C)O Amb28053910 [0,0,0,0,0,0|1,0,3]=4 100 B7R0.4 C\C=C\C=C/C(C)O Amb22342426 [0,0,0,0,0,0|1,0,1]=2 101 B7R0.4 C\C=C\C=C\C(=N)N Amb28428922 [0,0,0,0,0,0|2,0,0]=2 102 B7R0.4 C\C=C\C=C\C(=O)Cl Amb32664141 [0,0,0,0,0,0|1,0,0]=1 103 B7R0.4 C\C=C\C=C\C(=O)O Amb17784698 [0,0,0,0,0,0|0,0,0]=0 104 B7R0.4 C\C=C\C=C\C(=O)[O-] Amb33512746 [0,0,0,0,0,0|0,0,1]=1 105 B7R0.4 C\C=C\C=C\C(=O)[O-] Amb33723188 [0,0,0,0,0,0|0,0,1]=1 106 B7R0.4 C\C=C\C=C\C(C)=O Amb17593137 [0,0,0,0,0,0|1,0,0]=1 107 B7R0.4 C\C=C\C=C\C(C)O Amb27843477 [0,0,0,0,0,0|1,0,1]=2 108 B7R0.4 C\C=C\C=C\C(N)=O Amb28400805 [0,0,0,0,0,0|1,0,0]=1 109 B7R0.4 C\C=C\C=C\[C@@H](C)O Amb27223068 [0,0,0,0,0,0|1,0,1]=2 110 B7R0.4 C\C=C\C=N\N(C)C Amb27398333 [0,0,0,0,0,0|4,0,0]=4 111 B7R0.4 C\C=C\CCC(=O)O Amb34910859 [0,0,0,0,0,0|0,0,2]=2 112 B7R0.4 C\C=C\CCC(C)=O Amb9031579 [0,0,0,0,0,0|1,0,2]=3 113 B7R0.4 C\C=C\CCC(C)O Amb32665057 [0,0,0,0,0,0|1,0,3]=4 114 B7R0.4 C\C=C\CC[C@@H](C)O Amb27652940 [0,0,0,0,0,0|1,0,3]=4 115 B7R0.4 C\C=C\CNC(=O)S Amb26417290 [0,0,0,0,0,0|1,1,1]=3 116 B7R0.4 C\C=C\CNC(N)=S Amb27267431 [0,0,0,0,0,0|2,1,1]=4 117 B7R0.4 C\C=C\COC(C)=O Amb6366590 [0,0,0,0,0,0|2,0,1]=3 118 B7R0.4 C\C=C\CSC(N)=S Amb26390538 [0,0,0,0,0,0|2,1,1]=4 119 B7R0.4 N#CS\C=C/C(=O)O Amb28203932 [0,0,0,0,0,0|2,0,1]=3 120 B7R0.4 N#CS\C=C/C(N)=O Amb27786091 [0,0,0,0,0,0|3,0,1]=4 121 B7R0.4 N#CS\C=C\C(=O)O Amb28435246 [0,0,0,0,0,0|2,0,1]=3 122 B7R0.4 N#CS\C=C\C(N)=O Amb27639336 [0,0,0,0,0,0|3,0,1]=4 123 B7R0.4 NC(=O)CC\C=C\Cl Amb25173831 [0,0,0,0,0,0|2,0,2]=4 124 B7R0.4 NC(=O)NN\C=C\O Amb27265610 [0,0,0,0,0,0|4,0,0]=4 125 B7R0.4 NCC\C=C/C(=O)O Amb27201417 [0,0,0,0,0,0|1,0,2]=3 126 B7R0.4 O=C(Cl)\C=C\CCCl Amb27413542 [0,0,0,0,0,0|2,0,2]=4 127 B7R0.4 O=C(O)CC\C=C\Br Amb25238247 [0,0,0,0,0,0|1,0,2]=3 128 B7R0.4 O=C(O)CC\C=N\O Amb27211579 [0,0,0,0,0,0|2,0,2]=4 129 B7R0.4 O=C(O)C\C=C/CS Amb18124361 [0,0,0,0,0,0|1,0,2]=3 130 B7R0.4 O=C(O)C\C=C\CO Amb28429811 [0,0,0,0,0,0|1,0,2]=3 131 B7R0.4 O=C(O)C\C=C\CS Amb24693621 [0,0,0,0,0,0|1,0,2]=3 132 B7R0.4 O=C(O)\C=C/C=N/O Amb27449866 [0,0,0,0,0,0|2,0,0]=2 133 B7R0.4 O=C(O)\C=C\C#CBr Amb27198995 [0,0,0,0,0,0|1,0,2]=3 134 B7R0.4 O=C(O)\C=C\C=C\Cl Amb28189602 [0,0,0,0,0,0|1,0,0]=1 135 B7R0.4 O=C(O)\C=C\CCBr Amb25702661 [0,0,0,0,0,0|1,0,2]=3 136 B7R0.4 O=C(O)\C=C\CCF Amb33196445 [0,0,0,0,0,0|1,0,2]=3 137 B7R0.4 O=CCCCC(=O)O Amb17593198 [0,0,0,0,0,0|1,0,3]=4 138 B7R0.4 O=CNCCC(=O)O Amb18290434 [0,0,0,0,0,0|2,0,2]=4 139 B7R0.4 O=CNOCC(=O)O Amb27477273 [0,0,0,0,0,0|3,0,1]=4 140 B7R0.4 O=C\C=C\CS(=O)F Amb27866107 [0,0,0,0,0,0|3,0,1]=4 141 B6R0.4 C#C\C=C\C(=O)O Amb17593056 [1,0,0,0,0,0|0,0,2]=3 142 B6R0.4 C=C(C)\C=C\C=O Amb18120435 [1,0,0,0,0,0|3,0,0]=4 143 B6R0.4 C=C=C=CC(C)=O Amb28201583 [1,0,0,0,0,0|1,0,2]=4 144 B6R0.4 C=C=CCC(=O)O Amb26657414 [1,0,0,0,0,0|0,0,2]=3 145 B6R0.4 C=CCCC(=O)Cl Amb3939003 [1,0,0,0,0,0|1,0,2]=4 146 B6R0.4 C=CCCC(=O)O Amb3940112 [1,0,0,0,0,0|0,0,2]=3 147 B6R0.4 C=CCCC(C)=O Amb2721704 [1,0,0,0,0,0|1,0,2]=4 148 B6R0.4 C=CCCC(N)=O Amb28136349 [1,0,0,0,0,0|1,0,2]=4 149 B6R0.4 C=CCNC(C)=O Amb5797445 [1,0,0,0,0,0|2,0,1]=4 150 B6R0.4 C=CCNC(N)=O Amb6599864 [1,0,0,0,0,0|2,0,1]=4 151 B6R0.4 C=CCOC(=O)Cl Amb6600570 [1,0,0,0,0,0|2,0,1]=4 152 B6R0.4 C=CCOC(N)=O Amb4017585 [1,0,0,0,0,0|2,0,1]=4 153 B6R0.4 C=CNCC(=O)O Amb28346027 [1,0,0,0,0,0|1,0,1]=3 154 B6R0.4 C=COCC(=O)O Amb27247261 [1,0,0,0,0,0|1,0,1]=3 155 B6R0.4 C=COCC(C)=O Amb27838258 [1,0,0,0,0,0|2,0,1]=4 156 B6R0.4 C=C\C=C/C(C)=O Amb27165543 [1,0,0,0,0,0|1,0,0]=2 157 B6R0.4 C=C\C=C\C(=O)Cl Amb26530329 [1,0,0,0,0,0|1,0,0]=2 158 B6R0.4 C=C\C=C\C(C)Br Amb27392285 [1,0,0,0,0,0|2,0,1]=4 159 B6R0.4 C=C\C=C\C(C)C Amb27185806 [1,0,0,0,0,0|2,0,1]=4 160 B6R0.4 CC#CCC(=O)O Amb17939740 [1,0,0,0,0,0|0,0,3]=4 161 B6R0.4 CC(=O)N\C=C/S Amb27246451 [1,0,0,0,0,0|3,0,0]=4 162 B6R0.4 CC(=O)N\C=C\Cl Amb28132682 [1,0,0,0,0,0|3,0,0]=4 163 B6R0.4 CC(=O)O\C=C/Br Amb27484017 [1,0,0,0,0,0|3,0,0]=4 164 B6R0.4 CC(=O)\C=C/C#N Amb28050527 [1,0,0,0,0,0|2,0,1]=4 165 B6R0.4 CC(=O)\C=C/C=O Amb27424884 [1,0,0,0,0,0|2,0,0]=3 166 B6R0.4 CC(=O)\C=C\CCl Amb25378305 [1,0,0,0,0,0|2,0,1]=4 167 B6R0.4 CC(=O)\C=C\CF Amb33379250 [1,0,0,0,0,0|2,0,1]=4 168 B6R0.4 CC(C)=C\C=C\Br Amb28244792 [1,0,0,0,0,0|3,0,0]=4 169 B6R0.4 CC(C)=C\C=C\Cl Amb27760419 [1,0,0,0,0,0|3,0,0]=4 170 B6R0.4 CC(O)\C=C\C=O Amb18639615 [1,0,0,0,0,0|2,0,1]=4 171 B6R0.4 CC=C=CB(O)O Amb27397329 [1,0,0,0,0,0|1,0,2]=4 172 B6R0.4 CC=C=CC(=O)O Amb17593065 [1,0,0,0,0,0|0,0,1]=2 173 B6R0.4 CC=C=C[PH](=O)O Amb27430355 [1,0,0,0,0,0|1,0,1]=3 174 B6R0.4 CCC#CC(=O)O Amb6336503 [1,0,0,0,0,0|0,0,3]=4 175 B6R0.4 CCCCC(=O)O Amb3939877 [1,0,0,0,0,0|0,0,3]=4 176 B6R0.4 CCNCC(=O)O Amb10609667 [1,0,0,0,0,0|1,0,2]=4 177 B6R0.4 CCNCC(=O)O Amb7764661 [1,0,0,0,0,0|1,0,2]=4 178 B6R0.4 CCOCC(=O)O Amb3939880 [1,0,0,0,0,0|1,0,2]=4 179 B6R0.4 CCPCC(=O)O Amb28321137 [1,0,0,0,0,0|1,0,2]=4 180 B6R0.4 CCSCC(=O)O Amb1125185 [1,0,0,0,0,0|1,0,2]=4 181 B6R0.4 CC\C=C/C(=O)O Amb28429841 [1,0,0,0,0,0|0,0,1]=2 182 B6R0.4 CC\C=C/C(C)=O Amb27835645 [1,0,0,0,0,0|1,0,1]=3 183 B6R0.4 CC\C=C\B(O)O Amb24078362 [1,0,0,0,0,0|1,0,2]=4 184 B6R0.4 CC\C=C\C(=N)N Amb33171614 [1,0,0,0,0,0|2,0,1]=4 185 B6R0.4 CC\C=C\C(=O)Cl Amb2690073 [1,0,0,0,0,0|1,0,1]=3 186 B6R0.4 CC\C=C\C(=O)O Amb6608967 [1,0,0,0,0,0|0,0,1]=2 187 B6R0.4 CC\C=C\C(C)=O Amb26022886 [1,0,0,0,0,0|1,0,1]=3 188 B6R0.4 CC\C=C\C(C)O Amb25888544 [1,0,0,0,0,0|1,0,2]=4 189 B6R0.4 CC\C=C\C(N)=O Amb25770876 [1,0,0,0,0,0|1,0,1]=3 190 B6R0.4 CC\C=C\C(N)=S Amb33272632 [1,0,0,0,0,0|1,1,1]=4 191 B6R0.4 CC\C=C\[C@@H](C)O Amb33429815 [1,0,0,0,0,0|1,0,2]=4 192 B6R0.4 CC\C=C\[C@H](C)O Amb33449173 [1,0,0,0,0,0|1,0,2]=4 193 B6R0.4 CC\C=C\[N+](=O)[O-] Amb25190046 [1,0,0,0,0,0|1,0,2]=4 194 B6R0.4 CC\N=C\C(=O)O Amb28041425 [1,0,0,0,0,0|1,0,1]=3 195 B6R0.4 CC\N=C\C(C)=O Amb27854982 [1,0,0,0,0,0|2,0,1]=4 196 B6R0.4 CNCCC(=O)O Amb10609760 [1,0,0,0,0,0|1,0,2]=4 197 B6R0.4 CNCCC(=O)O Amb7766400 [1,0,0,0,0,0|1,0,2]=4 198 B6R0.4 CN\C=C\C(C)=O Amb17593076 [1,0,0,0,0,0|2,0,0]=3 199 B6R0.4 COCCC(=O)O Amb3938990 [1,0,0,0,0,0|1,0,2]=4 200 B6R0.4 CO\C=C/C(C)=O Amb27264758 [1,0,0,0,0,0|2,0,0]=3 201 B6R0.4 CO\C=C\C(=O)Cl Amb25349516 [1,0,0,0,0,0|2,0,0]=3 202 B6R0.4 CO\C=C\C(=O)O Amb18121767 [1,0,0,0,0,0|1,0,0]=2 203 B6R0.4 CO\C=C\C(C)=O Amb8385700 [1,0,0,0,0,0|2,0,0]=3 204 B6R0.4 CO\C=C\C(N)=O Amb27153308 [1,0,0,0,0,0|2,0,0]=3 205 B6R0.4 CO\N=C\C(=O)O Amb10976081 [1,0,0,0,0,0|2,0,0]=3 206 B6R0.4 CSC#CC(=O)O Amb33309663 [1,0,0,0,0,0|1,0,2]=4 207 B6R0.4 CSCCC(=O)O Amb3939879 [1,0,0,0,0,0|1,0,2]=4 208 B6R0.4 CSSCC(=O)O Amb25378801 [1,0,0,0,0,0|2,0,1]=4 209 B6R0.4 CS\C=C/C(C)=O Amb27471812 [1,0,0,0,0,0|2,0,0]=3 210 B6R0.4 CS\C=C\C(=O)O Amb30584688 [1,0,0,0,0,0|1,0,0]=2 211 B6R0.4 CS\C=C\[N+](=O)[O-] Amb35704405 [1,0,0,0,0,0|2,0,1]=4 212 B6R0.4 C\C=C/CB(O)O Amb27620496 [1,0,0,0,0,0|1,0,2]=4 213 B6R0.4 C\C=C/NC(C)=S Amb28282715 [1,0,0,0,0,0|2,1,0]=4 214 B6R0.4 C\C=C\CC(=N)N Amb25176208 [1,0,0,0,0,0|2,0,1]=4 215 B6R0.4 C\C=C\CC(=O)O Amb3941538 [1,0,0,0,0,0|0,0,1]=2 216 B6R0.4 C\C=C\CC(N)=O Amb26589975 [1,0,0,0,0,0|1,0,1]=3 217 B6R0.4 C\C=C\CS(=O)[O-] Amb26887775 [1,0,0,0,0,0|1,0,2]=4 218 B6R0.4 C\C=C\C[C@H](C)O Amb27662307 [1,0,0,0,0,0|1,0,2]=4 219 B6R0.4 C\C=C\NC(C)=S Amb27881690 [1,0,0,0,0,0|2,1,0]=4 220 B6R0.4 C\C=N\NC(N)=O Amb24351023 [1,0,0,0,0,0|3,0,0]=4 221 B6R0.4 C\N=C\CC(C)=O Amb28202181 [1,0,0,0,0,0|2,0,1]=4 222 B6R0.4 N#C\C=C\C(=O)O Amb25853809 [1,0,0,0,0,0|1,0,1]=3 223 B6R0.4 N=CNCC(=O)O Amb24670244 [1,0,0,0,0,0|2,0,1]=4 224 B6R0.4 NC(=O)C\C=C/Cl Amb27593169 [1,0,0,0,0,0|2,0,1]=4 225 B6R0.4 NC\C=C/C(=O)O Amb24117018 [1,0,0,0,0,0|1,0,1]=3 226 B6R0.4 NC\C=C\C(=O)O Amb33422010 [1,0,0,0,0,0|1,0,1]=3 227 B6R0.4 NC\C=C\C(=O)O Amb33422035 [1,0,0,0,0,0|1,0,1]=3 228 B6R0.4 O=C(Cl)\C=C\CCl Amb33294776 [1,0,0,0,0,0|2,0,1]=4 229 B6R0.4 O=C(O)C\C=C/Br Amb27483815 [1,0,0,0,0,0|1,0,1]=3 230 B6R0.4 O=C(O)C\C=C\Cl Amb25111871 [1,0,0,0,0,0|1,0,1]=3 231 B6R0.4 O=C(O)\C=C\CBr Amb18646194 [1,0,0,0,0,0|1,0,1]=3 232 B6R0.4 O=C(O)\C=C\CCl Amb23399655 [1,0,0,0,0,0|1,0,1]=3 233 B6R0.4 O=C(O)\C=C\CF Amb33470171 [1,0,0,0,0,0|1,0,1]=3 234 B6R0.4 O=C(O)\C=C\CO Amb32662006 [1,0,0,0,0,0|1,0,1]=3 235 B6R0.4 O=C([O-])\C=C\CO Amb33542275 [1,0,0,0,0,0|1,0,2]=4 236 B6R0.4 O=CCCC(=O)O Amb17673897 [1,0,0,0,0,0|1,0,2]=4 237 B6R0.4 O=CNCC(=O)O Amb1911508 [1,0,0,0,0,0|2,0,1]=4 238 B6R0.4 O=COCC(=O)O Amb26624011 [1,0,0,0,0,0|2,0,1]=4 239 B6R0.4 O=C\C=C/C(=O)O Amb26023446 [1,0,0,0,0,0|1,0,0]=2 240 B6R0.4 O=C\C=C\B(O)O Amb22899676 [1,0,0,0,0,0|2,0,1]=4 241 B6R0.6 C=CCC\C=C\C Amb22734684 [1,0,0,0,0,0|1,0,2]=4 242 B6R0.6 C=CS\C=C\CO Amb27219812 [1,0,0,0,0,0|1,0,2]=4 243 B6R0.6 C=C\C=C\C=C\C Amb27627431 [1,0,0,0,0,0|1,0,0]=2 244 B6R0.6 C=C\C=C\C=C\Cl Amb27656821 [1,0,0,0,0,0|1,0,1]=3 245 B6R0.6 C=C\C=C\CCC Amb33171502 [1,0,0,0,0,0|1,0,2]=4 246 B6R0.6 C=C\C=C\CCO Amb34916666 [1,0,0,0,0,0|0,0,3]=4 247 B6R0.6 C=C\C=C\CNC Amb25244153 [1,0,0,0,0,0|2,0,1]=4 248 B6R0.6 CC#C\C=C\C=O Amb28050254 [1,0,0,0,0,0|0,0,2]=3 249 B6R0.6 CC#C\C=C\CO Amb27808675 [1,0,0,0,0,0|0,0,3]=4 250 B6R0.6 CC=C=CCCO Amb25888408 [1,0,0,0,0,0|0,0,3]=4 251 B6R0.6 CCC=C=CC=O Amb27237589 [1,0,0,0,0,0|0,0,2]=3 252 B6R0.6 CCC\C=C/C=O Amb25885814 [1,0,0,0,0,0|0,0,2]=3 253 B6R0.6 CCC\C=C\C=O Amb3940431 [1,0,0,0,0,0|0,0,2]=3 254 B6R0.6 CCC\C=C\CO Amb32660968 [1,0,0,0,0,0|0,0,3]=4 255 B6R0.6 CCN\C=C/C=O Amb27793118 [1,0,0,0,0,0|1,0,1]=3 256 B6R0.6 CCO\C=C/C=O Amb27423444 [1,0,0,0,0,0|1,0,1]=3 257 B6R0.6 CCO\C=C\C=O Amb18639560 [1,0,0,0,0,0|1,0,1]=3 258 B6R0.6 CC\C=C/CC=O Amb18639157 [1,0,0,0,0,0|0,0,2]=3 259 B6R0.6 CC\C=C/CCO Amb2720771 [1,0,0,0,0,0|0,0,3]=4 260 B6R0.6 CC\C=C\C=C/Br Amb27392254 [1,0,0,0,0,0|1,0,1]=3 261 B6R0.6 CC\C=C\C=C\Br Amb27233492 [1,0,0,0,0,0|1,0,1]=3 262 B6R0.6 CC\C=C\CCO Amb3940339 [1,0,0,0,0,0|0,0,3]=4 263 B6R0.6 CC\C=C\CNO Amb33225042 [1,0,0,0,0,0|1,0,2]=4 264 B6R0.6 COC\C=C\C=O Amb33473884 [1,0,0,0,0,0|1,0,1]=3 265 B6R0.6 COC\C=C\CO Amb33428788 [1,0,0,0,0,0|1,0,2]=4 266 B6R0.6 CO\C=C\C=C/Cl Amb27863084 [1,0,0,0,0,0|2,0,0]=3 267 B6R0.6 CSC\C=C\C=O Amb33271737 [1,0,0,0,0,0|1,0,1]=3 268 B6R0.6 CSC\C=C\CO Amb33079758 [1,0,0,0,0,0|1,0,2]=4 269 B6R0.6 C\C=C/C#CC=O Amb28050135 [1,0,0,0,0,0|0,0,2]=3 270 B6R0.6 C\C=C/CCC=O Amb28202620 [1,0,0,0,0,0|0,0,2]=3 271 B6R0.6 C\C=C/CCCO Amb17614951 [1,0,0,0,0,0|0,0,3]=4 272 B6R0.6 C\C=C\C=C\C#N Amb2720975 [1,0,0,0,0,0|1,0,1]=3 273 B6R0.6 C\C=C\C=C\C=O Amb33986154 [1,0,0,0,0,0|0,0,0]=1 274 B6R0.6 C\C=C\C=C\CBr Amb27433479 [1,0,0,0,0,0|1,0,1]=3 275 B6R0.6 C\C=C\C=C\CCl Amb32652238 [1,0,0,0,0,0|1,0,1]=3 276 B6R0.6 C\C=C\C=C\CN Amb18639062 [1,0,0,0,0,0|1,0,1]=3 277 B6R0.6 C\C=C\C=C\CN Amb24117256 [1,0,0,0,0,0|1,0,1]=3 278 B6R0.6 C\C=C\C=C\CO Amb27848287 [1,0,0,0,0,0|0,0,1]=2 279 B6R0.6 C\C=C\CCC=O Amb17593074 [1,0,0,0,0,0|0,0,2]=3 280 B6R0.6 C\C=C\CCCO Amb22347882 [1,0,0,0,0,0|0,0,3]=4 281 B6R0.6 C\C=C\S\C=C\C Amb27210562 [1,0,0,0,0,0|2,0,0]=3 282 B6R0.6 Cl\C=C\S\C=C\Cl Amb28343062 [1,0,0,0,0,0|3,0,0]=4 283 B6R0.6 N#CC\C=C\C=O Amb25073805 [1,0,0,0,0,0|1,0,2]=4 284 B6R0.6 N#CS\C=C\C=O Amb27793341 [1,0,0,0,0,0|2,0,1]=4 285 B6R0.6 N\C=C/C=C/C=O Amb27838284 [1,0,0,0,0,0|1,0,0]=2 286 B6R0.6 N\C=C\C=C\C=O Amb27873733 [1,0,0,0,0,0|1,0,0]=2 287 B6R0.6 O=C=C\C=C/C=O Amb28128301 [1,0,0,0,0,0|1,0,1]=3 288 B6R0.6 O=CCC\C=C/Br Amb27838206 [1,0,0,0,0,0|1,0,2]=4 289 B6R0.6 O=CCC\C=C\Cl Amb27955198 [1,0,0,0,0,0|1,0,2]=4 290 B6R0.6 O=C\C=C/C=C\S Amb27166146 [1,0,0,0,0,0|1,0,0]=2 291 B6R0.6 O=C\C=C/CC=O Amb28050289 [1,0,0,0,0,0|1,0,1]=3 292 B6R0.6 O=C\C=C/CCO Amb27235316 [1,0,0,0,0,0|1,0,2]=4 293 B6R0.6 O=C\C=C\C=C\Br Amb16233577 [1,0,0,0,0,0|1,0,0]=2 294 B6R0.6 O=C\C=C\C=C\Cl Amb27760447 [1,0,0,0,0,0|1,0,0]=2 295 B6R0.6 O=C\C=C\C=C\O Amb27646525 [1,0,0,0,0,0|1,0,0]=2 296 B6R0.6 O=C\C=C\C=C\S Amb28051864 [1,0,0,0,0,0|1,0,0]=2 297 B6R0.6 O=C\C=C\CC=O Amb17593064 [1,0,0,0,0,0|1,0,1]=3 298 B6R0.6 O=C\C=C\CCF Amb33429802 [1,0,0,0,0,0|1,0,2]=4 299 B6R0.6 OC\C=C\C=C\Br Amb27750080 [1,0,0,0,0,0|1,0,1]=3 300 B6R0.6 OC\C=C\C=C\Cl Amb27858902 [1,0,0,0,0,0|1,0,1]=3 301 B8R0.5 C#C\C=C(/C)CC(=O)O Amb28410538 [0,1,0,0,0,0|0,0,3]=4 302 B8R0.5 C=C(C)CC(=O)\C=C\C Amb28320348 [0,1,0,0,0,0|2,0,1]=4 303 B8R0.5 C=CC\C(C)=C/C(C)=O Amb27481811 [0,1,0,0,0,0|1,0,2]=4 304 B8R0.5 CC#C\C(C)=C\C(N)=O Amb28456563 [0,1,0,0,0,0|1,0,2]=4 305 B8R0.5 CC(C)=CC(=O)\C=C\O Amb27435408 [0,1,0,0,0,0|3,0,0]=4 306 B8R0.5 CC(C)=C\C(C)=C\C=O Amb27880500 [0,1,0,0,0,0|3,0,0]=4 307 B8R0.5 CCC\C(C)=C\C(=O)O Amb33528454 [0,1,0,0,0,0|0,0,2]=3 308 B8R0.5 CCC\C(C)=C\C(C)=O Amb28289440 [0,1,0,0,0,0|1,0,2]=4 309 B8R0.5 CCC\C(C)=C\C(N)=O Amb27799064 [0,1,0,0,0,0|1,0,2]=4 310 B8R0.5 CCC\C(N)=C\C(N)=O Amb27620335 [0,1,0,0,0,0|1,0,2]=4 311 B8R0.5 CCNC(=O)CC(=O)O Amb17399821 [0,1,0,0,0,0|1,0,2]=4 312 B8R0.5 CCN\C(C)=C\C(C)=O Amb27843358 [0,1,0,0,0,0|2,0,1]=4 313 B8R0.5 CCOC(=N)CC(=O)O Amb26612803 [0,1,0,0,0,0|1,0,2]=4 314 B8R0.5 CCOC(=O)CC(=O)O Amb22492654 [0,1,0,0,0,0|1,0,2]=4 315 B8R0.5 CCOC(=O)CC(=O)O Amb3939916 [0,1,0,0,0,0|1,0,2]=4 316 B8R0.5 CCO\C(C)=C/C(C)=O Amb25147210 [0,1,0,0,0,0|2,0,1]=4 317 B8R0.5 CCO\C(C)=C\C(C)=O Amb28134099 [0,1,0,0,0,0|2,0,1]=4 318 B8R0.5 CCO\C(N)=C\C(=O)O Amb28285256 [0,1,0,0,0,0|1,0,1]=3 319 B8R0.5 CCO\C(N)=C\C(N)=O Amb28129792 [0,1,0,0,0,0|2,0,1]=4 320 B8R0.5 CCSC(=O)CC(=O)O Amb27406351 [0,1,0,0,0,0|1,0,2]=4 321 B8R0.5 CC\C=C(/Br)CC(=O)O Amb28208655 [0,1,0,0,0,0|0,0,2]=3 322 B8R0.5 CC\C=C(/C)C=C(C)C Amb22365218 [0,1,0,0,0,0|2,0,1]=4 323 B8R0.5 CC\C=C(\C)C=C(C)C Amb27843473 [0,1,0,0,0,0|2,0,1]=4 324 B8R0.5 CC\C=C(\C)CC(N)=O Amb27771837 [0,1,0,0,0,0|1,0,2]=4 325 B8R0.5 CC\N=C(C)/C=C(/C)O Amb28076028 [0,1,0,0,0,0|2,0,1]=4 326 B8R0.5 CC\N=C(C)/C=C(\C)O Amb28142992 [0,1,0,0,0,0|2,0,1]=4 327 B8R0.5 CC\N=C(C)\C=C(\C)O Amb27967083 [0,1,0,0,0,0|2,0,1]=4 328 B8R0.5 COCC(=O)CC(=O)O Amb24093174 [0,1,0,0,0,0|1,0,2]=4 329 B8R0.5 COC\C(C)=C\C(=O)O Amb25311787 [0,1,0,0,0,0|1,0,1]=3 330 B8R0.5 COC\C(C)=C\C(C)=O Amb28323854 [0,1,0,0,0,0|2,0,1]=4 331 B8R0.5 CON\C(C)=C/C(C)=O Amb27453399 [0,1,0,0,0,0|3,0,0]=4 332 B8R0.5 CO\C=C(\C)CC(=O)O Amb27410916 [0,1,0,0,0,0|1,0,1]=3 333 B8R0.5 CS\C=C(\C)NC(C)=O Amb24660230 [0,1,0,0,0,0|3,0,0]=4 334 B8R0.5 C\C(=C\C(=O)O)CCS Amb28345950 [0,1,0,0,0,0|1,0,2]=4 335 B8R0.5 C\C=C\C(=O)NC(N)=O Amb27810821 [0,1,0,0,0,0|2,0,0]=3 336 B8R0.5 C\C=C\C(=O)\C=C(\C)Cl Amb27861380 [0,1,0,0,0,0|2,0,0]=3 337 B8R0.5 C\C=C\C(C)=C\C(=O)O Amb28201686 [0,1,0,0,0,0|0,0,0]=1 338 B8R0.5 C\C=C\C(C)=C\C(C)O Amb27219058 [0,1,0,0,0,0|1,0,1]=3 339 B8R0.5 C\C=C\C(C)NC(C)=O Amb27405355 [0,1,0,0,0,0|2,0,1]=4 340 B8R0.5 C\C=C\C(Cl)CC(=O)Cl Amb27407059 [0,1,0,0,0,0|1,0,2]=4 341 B8R0.5 C\C=C\C(N)CC(=O)O Amb25975538 [0,1,0,0,0,0|0,0,2]=3 342 B8R0.5 C\C=C\C(N)CC(N)=O Amb24599388 [0,1,0,0,0,0|1,0,2]=4 343 B8R0.5 C\C=C\C(O)CC(=O)O Amb8398291 [0,1,0,0,0,0|0,0,2]=3 344 B8R0.5 C\C=C\C(O)SC(C)=O Amb27653044 [0,1,0,0,0,0|2,0,1]=4 345 B8R0.5 C\C=C\[C@@H](C)CC(C)=O Amb27598952 [0,1,0,0,0,0|1,0,2]=4 346 B8R0.5 C\C=C\[C@H](C)CC(=O)O Amb28047718 [0,1,0,0,0,0|0,0,2]=3 347 B8R0.5 C\C=C\[C@H](C)CC(C)=O Amb28246522 [0,1,0,0,0,0|1,0,2]=4 348 B8R0.5 O=C(O)\C=C(/Cl)CCO Amb27845284 [0,1,0,0,0,0|1,0,2]=4 349 B8R0.5 O=C(O)\C=C(Br)\C=N\O Amb27419952 [0,1,0,0,0,0|2,0,0]=3 350 B8R0.5 O=C(O)\C=C(Cl)\C=N\O Amb28120674 [0,1,0,0,0,0|2,0,0]=3 351 B8R0.6 C#CC(O)\C=C\C=C\C Amb28383256 [0,1,0,0,0,0|1,0,1]=3 352 B8R0.6 C#C\C(C)=C/C=C/C=O Amb27794257 [0,1,0,0,0,0|3,0,0]=4 353 B8R0.6 C=CC(=O)CC\C=C/C Amb27838702 [0,1,0,0,0,0|1,0,2]=4 354 B8R0.6 C=CC(=O)C\C=C/CC Amb27838780 [0,1,0,0,0,0|1,0,2]=4 355 B8R0.6 C=CC(=O)C\C=C\CC Amb24574125 [0,1,0,0,0,0|1,0,2]=4 356 B8R0.6 C=CC(=O)\C=C\CCC Amb33448444 [0,1,0,0,0,0|1,0,2]=4 357 B8R0.6 C=C\C=C\CC(=O)OC Amb32675209 [0,1,0,0,0,0|0,0,2]=3 358 B8R0.6 CCC=C=CC(=O)CC Amb27838620 [0,1,0,0,0,0|1,0,2]=4 359 B8R0.6 CCC\C=C/C(=O)OC Amb27423496 [0,1,0,0,0,0|0,0,2]=3 360 B8R0.6 CCC\C=C\C(=O)CBr Amb27477837 [0,1,0,0,0,0|1,0,2]=4 361 B8R0.6 CCC\C=C\C(=O)CC Amb26400662 [0,1,0,0,0,0|1,0,2]=4 362 B8R0.6 CCC\C=C\C(=O)CCl Amb33220754 [0,1,0,0,0,0|1,0,2]=4 363 B8R0.6 CCC\C=C\C(=O)CN Amb33327186 [0,1,0,0,0,0|1,0,2]=4 364 B8R0.6 CCC\C=C\C(=O)NN Amb25852581 [0,1,0,0,0,0|1,0,2]=4 365 B8R0.6 CCC\C=C\C(=O)OC Amb6366801 [0,1,0,0,0,0|0,0,2]=3 366 B8R0.6 CCN\C=C\C(=O)OC Amb2386650 [0,1,0,0,0,0|1,0,1]=3 367 B8R0.6 CCO\C=C\C(=O)CC Amb22055193 [0,1,0,0,0,0|2,0,1]=4 368 B8R0.6 CCO\C=C\C(=O)NC Amb27179836 [0,1,0,0,0,0|2,0,1]=4 369 B8R0.6 CCO\C=C\C(=O)OC Amb33356217 [0,1,0,0,0,0|1,0,1]=3 370 B8R0.6 CCS\C=C\C(=O)CC Amb24424828 [0,1,0,0,0,0|2,0,1]=4 371 B8R0.6 CCS\C=C\C(=O)OC Amb24387094 [0,1,0,0,0,0|1,0,1]=3 372 B8R0.6 CC\C=C\C=C(/C)C=O Amb27438517 [0,1,0,0,0,0|1,0,1]=3 373 B8R0.6 CC\C=C\CC(=O)OC Amb8517644 [0,1,0,0,0,0|0,0,2]=3 374 B8R0.6 CNC(=O)\C=C/NC=O Amb27817848 [0,1,0,0,0,0|3,0,0]=4 375 B8R0.6 CNC\C=C\C(=O)OC Amb26535556 [0,1,0,0,0,0|1,0,1]=3 376 B8R0.6 COC(=O)CC=C=CBr Amb28195545 [0,1,0,0,0,0|1,0,2]=4 377 B8R0.6 COC(=O)CC\C=C\Br Amb26433263 [0,1,0,0,0,0|1,0,2]=4 378 B8R0.6 COC(=O)C\C=C\CBr Amb27444630 [0,1,0,0,0,0|1,0,2]=4 379 B8R0.6 COC(=O)C\C=C\CCl Amb25084500 [0,1,0,0,0,0|1,0,2]=4 380 B8R0.6 COC(=O)N\C=C/C=O Amb27636964 [0,1,0,0,0,0|2,0,0]=3 381 B8R0.6 COC(=O)N\C=C\C=O Amb18642693 [0,1,0,0,0,0|2,0,0]=3 382 B8R0.6 COC(=O)O\C=C\CBr Amb27424698 [0,1,0,0,0,0|2,0,1]=4 383 B8R0.6 COC(=O)\C=C/N=[N+]=[N-] Amb33329257 [0,1,0,0,0,0|3,0,0]=4 384 B8R0.6 COC(=O)\C=C\C=C\Br Amb28283385 [0,1,0,0,0,0|1,0,0]=2 385 B8R0.6 COC(=O)\C=C\CCBr Amb22756459 [0,1,0,0,0,0|1,0,2]=4 386 B8R0.6 COC(=O)\C=C\CCN Amb27617644 [0,1,0,0,0,0|1,0,2]=4 387 B8R0.6 COC(=O)\C=C\CCO Amb26347391 [0,1,0,0,0,0|1,0,2]=4 388 B8R0.6 COC(=O)\C=C\N=C=O Amb25243046 [0,1,0,0,0,0|2,0,1]=4 389 B8R0.6 COC(=O)\C=C\N=[N+]=[N-] Amb25054584 [0,1,0,0,0,0|3,0,0]=4 390 B8R0.6 COC\C=C\C(=O)OC Amb25887192 [0,1,0,0,0,0|1,0,1]=3 391 B8R0.6 C\C(=C\C=C\C=O)CO Amb27852086 [0,1,0,0,0,0|2,0,0]=3 392 B8R0.6 C\C(=C\C=C\CO)CO Amb27780271 [0,1,0,0,0,0|2,0,1]=4 393 B8R0.6 C\C(C=O)=C/C=C/C=O Amb28325792 [0,1,0,0,0,0|2,0,0]=3 394 B8R0.6 C\C(C=O)=C/C=C/CCl Amb27968888 [0,1,0,0,0,0|2,0,1]=4 395 B8R0.6 C\C=C\C=C\C(=O)NO Amb27449096 [0,1,0,0,0,0|0,0,0]=1 396 B8R0.6 C\C=C\C=C\C(=O)OC Amb22230900 [0,1,0,0,0,0|0,0,0]=1 397 B8R0.6 C\C=C\C=C\C(C)CO Amb27660980 [0,1,0,0,0,0|1,0,1]=3 398 B8R0.6 C\C=C\C=C\C(O)C#N Amb28188255 [0,1,0,0,0,0|1,0,1]=3 399 B8R0.6 C\C=C\C=C\C(O)CN Amb27804094 [0,1,0,0,0,0|1,0,1]=3 400 B8R0.6 C\C=C\C=C\[C@@H](O)CC Amb27956631 [0,1,0,0,0,0|1,0,1]=3 401 B8R0.6 C\C=C\CCC(=O)NC Amb25339401 [0,1,0,0,0,0|1,0,2]=4 402 B8R0.6 C\C=C\CNC(=O)CS Amb27212291 [0,1,0,0,0,0|1,1,1]=4 403 B8R0.6 C\C=C\COC(=O)C=O Amb18642573 [0,1,0,0,0,0|1,0,2]=4 404 B8R0.6 C\C=C\COC(=O)CC Amb22347674 [0,1,0,0,0,0|2,0,1]=4 405 B8R0.6 C\C=C\COC(=O)CCl Amb27590279 [0,1,0,0,0,0|2,0,1]=4 406 B8R0.7 C#CCO\C=C\C(=O)O Amb27215687 [0,1,0,0,0,0|0,0,3]=4 407 B8R0.7 C#C\C=C\C=C\C(C)=O Amb27789857 [0,1,0,0,0,0|1,0,1]=3 408 B8R0.7 C#C\C=C\CCC(=O)O Amb10605297 [0,1,0,0,0,0|0,0,3]=4 409 B8R0.7 C=CC=C=CCC(=O)O Amb28120587 [0,1,0,0,0,0|0,0,2]=3 410 B8R0.7 C=CCC\C=C\C(=O)O Amb25756053 [0,1,0,0,0,0|0,0,2]=3 411 B8R0.7 C=CC\C=C\CC(=O)O Amb18642408 [0,1,0,0,0,0|0,0,2]=3 412 B8R0.7 C=C\C=C\C=C\C(=O)O Amb28346293 [0,1,0,0,0,0|0,0,1]=2 413 B8R0.7 C=C\C=C\CCC(=O)O Amb10605294 [0,1,0,0,0,0|0,0,2]=3 414 B8R0.7 C=C\C=C\COC(N)=O Amb25991296 [0,1,0,0,0,0|1,0,2]=4 415 B8R0.7 CC(=O)CC\C=C/CO Amb27828969 [0,1,0,0,0,0|1,0,2]=4 416 B8R0.7 CC(=O)CC\C=C\C=O Amb26875051 [0,1,0,0,0,0|2,0,1]=4 417 B8R0.7 CC(=O)CN\C=C\C=O Amb18642499 [0,1,0,0,0,0|2,0,1]=4 418 B8R0.7 CC(=O)C\C=C\CCCl Amb25729220 [0,1,0,0,0,0|1,0,2]=4 419 B8R0.7 CC(=O)O\C=C/CCCl Amb27806183 [0,1,0,0,0,0|2,0,1]=4 420 B8R0.7 CC(=O)O\C=C\CCBr Amb27482630 [0,1,0,0,0,0|2,0,1]=4 421 B8R0.7 CC(=O)S\C=C\CCCl Amb25887422 [0,1,0,0,0,0|2,0,1]=4 422 B8R0.7 CC(=O)\C=C\C=C\CCl Amb27254525 [0,1,0,0,0,0|1,0,0]=2 423 B8R0.7 CC(=O)\C=C\NCCCl Amb27439668 [0,1,0,0,0,0|2,0,1]=4 424 B8R0.7 CC(C)=C=C\C=C\CO Amb27418361 [0,1,0,0,0,0|2,0,1]=4 425 B8R0.7 CC(C)=C\C=C\CCBr Amb27878458 [0,1,0,0,0,0|2,0,1]=4 426 B8R0.7 CC(C)\C=C\C=C\CBr Amb28291568 [0,1,0,0,0,0|2,0,1]=4 427 B8R0.7 CC=C=CCCC(C)=O Amb27180942 [0,1,0,0,0,0|1,0,2]=4 428 B8R0.7 CCC#C\C=C\C(N)=O Amb27626671 [0,1,0,0,0,0|1,0,2]=4 429 B8R0.7 CCCC\C=C/C(C)=O Amb28074727 [0,1,0,0,0,0|1,0,2]=4 430 B8R0.7 CCCC\C=C\C(=O)Cl Amb2688651 [0,1,0,0,0,0|1,0,2]=4 431 B8R0.7 CCCC\C=C\C(=O)O Amb17778752 [0,1,0,0,0,0|0,0,2]=3 432 B8R0.7 CCCC\C=C\C(=O)[O-] Amb17778116 [0,1,0,0,0,0|0,0,3]=4 433 B8R0.7 CCCO\C=C\C(N)=O Amb28198536 [0,1,0,0,0,0|1,0,2]=4 434 B8R0.7 CCCS\C=C/C(=O)O Amb18644291 [0,1,0,0,0,0|0,0,2]=3 435 B8R0.7 CCCS\C=C/C(=O)[O-] Amb19816096 [0,1,0,0,0,0|0,0,3]=4 436 B8R0.7 CCCS\C=C/C(=O)[O-] Amb6600550 [0,1,0,0,0,0|0,0,3]=4 437 B8R0.7 CCC\C=C/CC(C)=O Amb27974039 [0,1,0,0,0,0|1,0,2]=4 438 B8R0.7 CCC\C=C\CC(=O)O Amb18642602 [0,1,0,0,0,0|0,0,2]=3 439 B8R0.7 CCC\C=C\CC(C)=O Amb33429740 [0,1,0,0,0,0|1,0,2]=4 440 B8R0.7 CCOC\C=C/C(=O)O Amb27807906 [0,1,0,0,0,0|0,0,2]=3 441 B8R0.7 CCOC\C=C\C(=O)O Amb19020649 [0,1,0,0,0,0|0,0,2]=3 442 B8R0.7 CCO\C=N\CC(=O)O Amb27440832 [0,1,0,0,0,0|1,0,2]=4 443 B8R0.7 CCSC\C=C\C(=O)O Amb33449652 [0,1,0,0,0,0|0,0,2]=3 444 B8R0.7 CCSC\C=C\C(C)=O Amb33323646 [0,1,0,0,0,0|1,0,2]=4 445 B8R0.7 CC\C=C/C=C/C(C)=O Amb27164670 [0,1,0,0,0,0|1,0,0]=2 446 B8R0.7 CC\C=C/CCC(=O)O Amb25831265 [0,1,0,0,0,0|0,0,2]=3 447 B8R0.7 CC\C=C/SCC(C)=O Amb24615236 [0,1,0,0,0,0|1,0,2]=4 448 B8R0.7 CC\C=C\C=C\C(=O)O Amb33359031 [0,1,0,0,0,0|0,0,0]=1 449 B8R0.7 CC\C=C\C=C\C(C)=O Amb24667251 [0,1,0,0,0,0|1,0,0]=2 450 B8R0.7 CC\C=C\C=C\C(C)N Amb33267512 [0,1,0,0,0,0|2,0,1]=4 451 B8R0.7 CC\C=C\C=C\C(C)O Amb28049199 [0,1,0,0,0,0|1,0,1]=3 452 B8R0.7 CC\C=C\C=C\C(N)=O Amb27445409 [0,1,0,0,0,0|1,0,0]=2 453 B8R0.7 CC\C=C\C=C\[C@@H](C)O Amb27424950 [0,1,0,0,0,0|1,0,1]=3 454 B8R0.7 CC\C=C\C=C\[N+](=O)[O-] Amb33267976 [0,1,0,0,0,0|1,0,1]=3 455 B8R0.7 CC\C=C\CCC(=O)O Amb18642608 [0,1,0,0,0,0|0,0,2]=3 456 B8R0.7 CC\C=C\CCC(C)=O Amb24523649 [0,1,0,0,0,0|1,0,2]=4 457 B8R0.7 CC\C=C\CCC(N)=O Amb27221048 [0,1,0,0,0,0|1,0,2]=4 458 B8R0.7 CC\C=C\CNC(C)=O Amb27828159 [0,1,0,0,0,0|1,0,2]=4 459 B8R0.7 CC\C=C\COC(C)=O Amb27487199 [0,1,0,0,0,0|1,0,2]=4 460 B8R0.7 CC\C=C\OCC(C)=O Amb25235223 [0,1,0,0,0,0|1,0,2]=4 461 B8R0.7 CC\C=C\SCC(C)=O Amb28245395 [0,1,0,0,0,0|1,0,2]=4 462 B8R0.7 COCC\C=C\C(=O)O Amb33080389 [0,1,0,0,0,0|0,0,2]=3 463 B8R0.7 COCC\C=C\C(C)=O Amb33377354 [0,1,0,0,0,0|1,0,2]=4 464 B8R0.7 CO\C=C/C#CC(C)=O Amb27825770 [0,1,0,0,0,0|1,0,2]=4 465 B8R0.7 CO\C=C\C#CC(C)=O Amb27634955 [0,1,0,0,0,0|1,0,2]=4 466 B8R0.7 CO\C=C\C=C\C(=O)O Amb27784611 [0,1,0,0,0,0|0,0,0]=1 467 B8R0.7 CO\C=C\C=C\C(C)=O Amb27875381 [0,1,0,0,0,0|1,0,0]=2 468 B8R0.7 CO\N=C\C=C/C(C)=O Amb28192588 [0,1,0,0,0,0|2,0,0]=3 469 B8R0.7 CO\N=C\C=C\B(O)O Amb27185899 [0,1,0,0,0,0|2,0,1]=4 470 B8R0.7 CSCC\C=C\C(=O)O Amb33475293 [0,1,0,0,0,0|0,0,2]=3 471 B8R0.7 CSCC\C=C\C(C)=O Amb33197615 [0,1,0,0,0,0|1,0,2]=4 472 B8R0.7 CSC\C=C\CC(=O)O Amb28072070 [0,1,0,0,0,0|0,0,2]=3 473 B8R0.7 C\C=C\C=C/C=C(C)C Amb22641676 [0,1,0,0,0,0|2,0,0]=3 474 B8R0.7 C\C=C\C=C\CC(=O)O Amb27755824 [0,1,0,0,0,0|0,0,0]=1 475 B8R0.7 C\C=C\C=C\CC(C)=O Amb27248237 [0,1,0,0,0,0|1,0,0]=2 476 B8R0.7 C\C=C\C=C\CC(N)=O Amb27251723 [0,1,0,0,0,0|1,0,0]=2 477 B8R0.7 C\C=C\CC#CC(=O)O Amb24599409 [0,1,0,0,0,0|0,0,2]=3 478 B8R0.7 C\C=C\CCCC(=O)O Amb18642615 [0,1,0,0,0,0|0,0,2]=3 479 B8R0.7 C\C=C\CCCC(C)=O Amb24466633 [0,1,0,0,0,0|1,0,2]=4 480 B8R0.7 C\C=C\CCNC(N)=O Amb27845871 [0,1,0,0,0,0|1,0,2]=4 481 B8R0.7 C\C=C\CSCC(=O)O Amb9727556 [0,1,0,0,0,0|0,0,2]=3 482 B8R0.7 C\C=C\C\C=C\C(=O)O Amb27440048 [0,1,0,0,0,0|0,0,0]=1 483 B8R0.7 C\C=C\OCCC(C)=O Amb24631670 [0,1,0,0,0,0|1,0,2]=4 484 B8R0.7 N#CC\C=C\CC(=O)O Amb27762977 [0,1,0,0,0,0|0,0,3]=4 485 B8R0.7 N#CNC\C=C\C(=O)O Amb35634496 [0,1,0,0,0,0|1,0,2]=4 486 B8R0.7 N#C\C=C\CCC(=O)O Amb27785050 [0,1,0,0,0,0|0,0,3]=4 487 B8R0.7 NC(=O)\C=C\C=C\CO Amb27469398 [0,1,0,0,0,0|1,0,0]=2 488 B8R0.7 NCCC\C=C\C(=O)O Amb25221789 [0,1,0,0,0,0|0,0,2]=3 489 B8R0.7 NC\C=C\C=C\C(=O)O Amb25146005 [0,1,0,0,0,0|0,0,0]=1 490 B8R0.7 O=C(Cl)\C=C\CCCCl Amb27439280 [0,1,0,0,0,0|1,0,2]=4 491 B8R0.7 O=C(O)COC\C=C\Cl Amb27450817 [0,1,0,0,0,0|1,0,2]=4 492 B8R0.7 O=C(O)C\C=C/CCO Amb28410474 [0,1,0,0,0,0|0,0,2]=3 493 B8R0.7 O=C(O)C\C=C\CCO Amb27221056 [0,1,0,0,0,0|0,0,2]=3 494 B8R0.7 O=C(O)C\C=C\CCS Amb27421360 [0,1,0,0,0,0|0,0,2]=3 495 B8R0.7 O=C(O)\C=C/SCCO Amb27430273 [0,1,0,0,0,0|1,0,1]=3 496 B8R0.7 O=C(O)\C=C\C=C\CO Amb27779174 [0,1,0,0,0,0|0,0,0]=1 497 B8R0.7 O=C(O)\C=C\CCCCl Amb18644386 [0,1,0,0,0,0|0,0,2]=3 498 B8R0.7 O=C(O)\C=C\NCCO Amb28056766 [0,1,0,0,0,0|1,0,1]=3 499 B8R0.7 O=C(O)\C=C\SCCO Amb28281149 [0,1,0,0,0,0|1,0,1]=3 500 B8R0.7 O=CC\C=C\CC(=O)O Amb25911988 [0,1,0,0,0,0|1,0,1]=3 501 B8R0.7 O=CNC\C=C\C(=O)O Amb28045342 [0,1,0,0,0,0|1,0,1]=3 502 B8R0.7 O=C\C=C\C=C\C(=O)O Amb27420164 [0,1,0,0,0,0|0,0,1]=2 503 B8R0.7 O=C\C=C\CCC(=O)O Amb26920160 [0,1,0,0,0,0|1,0,1]=3 504 B8R0.7 OC\C=C\C=C\B(O)O Amb27191502 [0,1,0,0,0,0|1,0,1]=3 505 B8R0.8 C=C(CCCC)C(=O)O Amb18642649 [0,1,0,0,0,0|0,0,3]=4 506 B8R0.8 C=C(CCOC)C(=O)O Amb26588153 [0,1,0,0,0,0|1,0,2]=4 507 B8R0.8 C=C(CCSC)C(=O)O Amb27188177 [0,1,0,0,0,0|1,0,2]=4 508 B8R0.8 C=C(COCC)C(=O)O Amb27444042 [0,1,0,0,0,0|1,0,2]=4 509 B8R0.8 C=C(CSCC)C(=O)O Amb26023918 [0,1,0,0,0,0|1,0,2]=4 510 B8R0.8 C=C(C\C=C\C)C(C)O Amb28049240 [0,1,0,0,0,0|1,0,2]=4 511 B8R0.8 C=C(OCOC)C(=O)O Amb27467648 [0,1,0,0,0,0|2,0,1]=4 512 B8R0.8 C=C(\C=C\CC)C(=O)O Amb33267978 [0,1,0,0,0,0|0,0,1]=2 513 B8R0.8 C=C(\C=C\CC)C(C)=O Amb25074493 [0,1,0,0,0,0|1,0,1]=3 514 B8R0.8 C=CCCC(=O)C(=O)O Amb25738669 [0,1,0,0,0,0|0,0,3]=4 515 B8R0.8 C=CCNC(=O)C(=O)O Amb9238894 [0,1,0,0,0,0|1,0,2]=4 516 B8R0.8 C=CCOC(=O)C(=O)O Amb27849418 [0,1,0,0,0,0|1,0,2]=4 517 B8R0.8 C=CCSC(=S)C(=O)O Amb27953379 [0,1,0,0,0,0|1,0,2]=4 518 B8R0.8 C=C\C=C\C(C)C(=O)O Amb27595636 [0,1,0,0,0,0|0,0,2]=3 519 B8R0.8 C=C\C=C\[C@@H](C)C(=O)O Amb27188218 [0,1,0,0,0,0|0,0,2]=3 520 B8R0.8 C=C\C=C\[C@H](N)C(=O)O Amb28324791 [0,1,0,0,0,0|0,0,2]=3 521 B8R0.8 CC(=O)C(=O)\C=C\C#N Amb25963386 [0,1,0,0,0,0|2,0,1]=4 522 B8R0.8 CC(C)=C(C)\C=C\C=O Amb27778887 [0,1,0,0,0,0|3,0,0]=4 523 B8R0.8 CCCCC(=O)C(=O)O Amb18642761 [0,1,0,0,0,0|0,0,3]=4 524 B8R0.8 CCCNC(=O)C(=O)O Amb9303791 [0,1,0,0,0,0|1,0,2]=4 525 B8R0.8 CCCOC(=O)C(=O)O Amb28399593 [0,1,0,0,0,0|1,0,2]=4 526 B8R0.8 CCCSC(=S)C(=O)O Amb27808849 [0,1,0,0,0,0|1,0,2]=4 527 B8R0.8 CCC\C=C(/Br)C(=O)O Amb27816159 [0,1,0,0,0,0|0,0,2]=3 528 B8R0.8 CCC\C=C(/C)C(=O)O Amb10844998 [0,1,0,0,0,0|0,0,2]=3 529 B8R0.8 CCC\C=C(/C)C(C)=O Amb17593317 [0,1,0,0,0,0|1,0,2]=4 530 B8R0.8 CCC\C=C(/F)C(C)=O Amb27227052 [0,1,0,0,0,0|1,0,2]=4 531 B8R0.8 CCC\C=C(\F)C(=O)O Amb27448669 [0,1,0,0,0,0|0,0,2]=3 532 B8R0.8 CCN\C=C(\C)C(C)=O Amb27469636 [0,1,0,0,0,0|2,0,1]=4 533 B8R0.8 CCO\C=C(/Br)C(=O)O Amb27198193 [0,1,0,0,0,0|1,0,1]=3 534 B8R0.8 CCO\C=C(/Br)C(C)=O Amb8393391 [0,1,0,0,0,0|2,0,1]=4 535 B8R0.8 CCO\C=C(/C)C(=O)O Amb27249542 [0,1,0,0,0,0|1,0,1]=3 536 B8R0.8 CCO\C=C(/C)C(C)=O Amb26853746 [0,1,0,0,0,0|2,0,1]=4 537 B8R0.8 CCO\C=C(\Br)C(=O)O Amb27645304 [0,1,0,0,0,0|1,0,1]=3 538 B8R0.8 CCO\C=C(\O)C(C)=O Amb27486167 [0,1,0,0,0,0|2,0,1]=4 539 B8R0.8 CCO\N=C(/C)C(=O)O Amb27595574 [0,1,0,0,0,0|2,0,1]=4 540 B8R0.8 CC\C=C/C(O)C(C)=O Amb28122622 [0,1,0,0,0,0|1,0,2]=4 541 B8R0.8 CC\C=C\C(=O)C(=O)O Amb27486094 [0,1,0,0,0,0|0,0,1]=2 542 B8R0.8 CC\C=C\C(C)C(=O)O Amb33172515 [0,1,0,0,0,0|0,0,2]=3 543 B8R0.8 CC\C=C\C(C)C(C)=O Amb25295311 [0,1,0,0,0,0|1,0,2]=4 544 B8R0.8 CC\C=C\C(N)C(=O)O Amb33449874 [0,1,0,0,0,0|0,0,2]=3 545 B8R0.8 CC\C=C\C(O)C(=O)O Amb27781864 [0,1,0,0,0,0|0,0,2]=3 546 B8R0.8 CC\C=C\[C@@H](N)C(=O)O Amb27239476 [0,1,0,0,0,0|0,0,2]=3 547 B8R0.8 COCCC(=O)C(=O)O Amb27959741 [0,1,0,0,0,0|1,0,2]=4 548 B8R0.8 COC\C=C(/C)C(C)=O Amb27838769 [0,1,0,0,0,0|2,0,1]=4 549 B8R0.8 COC\C=C(\Br)C(=O)O Amb24580462 [0,1,0,0,0,0|1,0,1]=3 550 B8R0.8 COC\C=C(\C)C(=O)O Amb27169036 [0,1,0,0,0,0|1,0,1]=3 551 B8R0.8 COC\C=C(\F)C(=O)O Amb27872029 [0,1,0,0,0,0|1,0,1]=3 552 B8R0.8 CO\C=C\C(=O)C(=O)Cl Amb25135276 [0,1,0,0,0,0|2,0,0]=3 553 B8R0.8 CO\C=C\C(=O)C(C)=O Amb27838487 [0,1,0,0,0,0|2,0,0]=3 554 B8R0.8 CO\C=C\[C@@H](N)C(=O)O Amb27427471 [0,1,0,0,0,0|1,0,1]=3 555 B8R0.8 CSCCC(=N)C(=O)O Amb27196552 [0,1,0,0,0,0|1,0,2]=4 556 B8R0.8 CSCCC(=O)C(=O)O Amb18643588 [0,1,0,0,0,0|1,0,2]=4 557 B8R0.8 CS\C=C/[C@H](N)C(=O)O Amb26006745 [0,1,0,0,0,0|1,0,1]=3 558 B8R0.8 CS\C=C\C(N)C(=O)O Amb27759361 [0,1,0,0,0,0|1,0,1]=3 559 B8R0.8 C\C(=C/CCN)C(=O)O Amb28397850 [0,1,0,0,0,0|1,0,2]=4 560 B8R0.8 C\C(=C/CON)C(=O)O Amb28207816 [0,1,0,0,0,0|2,0,1]=4 561 B8R0.8 C\C=C/CC(=O)C(=O)O Amb27450808 [0,1,0,0,0,0|0,0,1]=2 562 B8R0.8 C\C=C\C=C(/C)C(=O)O Amb27468745 [0,1,0,0,0,0|0,0,0]=1 563 B8R0.8 C\C=C\C=C(/C)C(C)=O Amb27802596 [0,1,0,0,0,0|1,0,0]=2 564 B8R0.8 C\C=C\C=C(/C)C(N)=O Amb27393697 [0,1,0,0,0,0|1,0,0]=2 565 B8R0.8 C\C=C\C=C(/F)C(=O)O Amb27216973 [0,1,0,0,0,0|0,0,0]=1 566 B8R0.8 C\C=C\C=C(/O)C(=O)O Amb28368858 [0,1,0,0,0,0|0,0,0]=1 567 B8R0.8 C\C=C\CC(=O)C(=O)O Amb18642583 [0,1,0,0,0,0|0,0,1]=2 568 B8R0.8 C\C=C\CC(C)C(=O)O Amb18642630 [0,1,0,0,0,0|0,0,2]=3 569 B8R0.8 C\C=C\CC(C)C(C)=O Amb27799374 [0,1,0,0,0,0|1,0,2]=4 570 B8R0.8 C\C=C\CC(F)C(=O)O Amb27959670 [0,1,0,0,0,0|0,0,2]=3 571 B8R0.8 C\C=C\CC(N)C(=O)O Amb6256663 [0,1,0,0,0,0|0,0,2]=3 572 B8R0.8 C\C=C\CC(N)C(N)=O Amb26904386 [0,1,0,0,0,0|1,0,2]=4 573 B8R0.8 C\C=C\CC(O)C(C)=O Amb25707027 [0,1,0,0,0,0|1,0,2]=4 574 B8R0.8 C\C=C\C[C@@H](N)C(=O)O Amb33065673 [0,1,0,0,0,0|0,0,2]=3 575 B8R0.8 C\C=C\C[C@H](C)C(=O)O Amb28368854 [0,1,0,0,0,0|0,0,2]=3 576 B8R0.8 C\C=C\C[C@H](C)C(C)=O Amb26891739 [0,1,0,0,0,0|1,0,2]=4 577 B8R0.8 C\C=C\C[C@H](N)C(=O)O Amb27768785 [0,1,0,0,0,0|0,0,2]=3 578 B8R0.8 NC(C\C=C\Br)C(=O)O Amb27607572 [0,1,0,0,0,0|1,0,2]=4 579 B8R0.8 NC(C\C=C\Cl)C(=O)O Amb33037023 [0,1,0,0,0,0|1,0,2]=4 580 B8R0.8 NCC\C=C(\F)C(=O)O Amb27398392 [0,1,0,0,0,0|1,0,2]=4 581 B8R0.8 NC\C=C\[C@H](N)C(=O)O Amb24580033 [0,1,0,0,0,0|1,0,2]=4 582 B8R0.8 N[C@@H](C\C=C\Cl)C(=O)O Amb33065741 [0,1,0,0,0,0|1,0,2]=4 583 B8R0.8 N[C@H](C\C=C\Cl)C(=O)O Amb33309034 [0,1,0,0,0,0|1,0,2]=4 584 B8R0.8 O=C(O)\C(Br)=C\C=N\O Amb27637647 [0,1,0,0,0,0|2,0,0]=3 585 B8R0.8 O=C(O)\C(O)=C\C=C\Br Amb28048233 [0,1,0,0,0,0|1,0,0]=2 586 B8R0.8 O=CCCC(=O)C(=O)O Amb27882544 [0,1,0,0,0,0|1,0,2]=4 587 B8R0.8 O=CCCC(=O)C(=O)O Amb32670694 [0,1,0,0,0,0|1,0,2]=4 588 B8R0.9 BO\C(O)=C/CC(=O)O Amb27797365 [0,1,0,0,0,0|2,0,1]=4 589 B8R0.9 C=C(C=O)CCC(=O)O Amb27655564 [0,1,0,0,0,0|1,0,2]=4 590 B8R0.9 C=C(O)\C=C/C(=O)C=O Amb27470817 [0,1,0,0,0,0|2,0,0]=3 591 B8R0.9 C=C(\C=C\C(=O)O)CC Amb27229488 [0,1,0,0,0,0|0,0,1]=2 592 B8R0.9 C=C(\C=C\C(C)=O)CC Amb26492679 [0,1,0,0,0,0|1,0,1]=3 593 B8R0.9 C=C(\C=C\[N+](=O)[O-])OC Amb33714755 [0,1,0,0,0,0|2,0,1]=4 594 B8R0.9 C=CC(=C)CCC(=O)O Amb18642412 [0,1,0,0,0,0|0,0,3]=4 595 B8R0.9 C=CC(=O)NCC(=O)O Amb33532656 [0,1,0,0,0,0|1,0,2]=4 596 B8R0.9 C=CC(=O)OCC(=O)O Amb27241348 [0,1,0,0,0,0|1,0,2]=4 597 B8R0.9 C=CC(=O)SCC(=O)O Amb27755823 [0,1,0,0,0,0|1,0,2]=4 598 B8R0.9 C=CC(=O)\C=C\C(C)=O Amb24061722 [0,1,0,0,0,0|1,0,1]=3 599 B8R0.9 C=C\C(C)=C\CC(=O)O Amb33276241 [0,1,0,0,0,0|0,0,2]=3 600 B8R0.9 CC(=O)N\C=C(\C)C=O Amb18642508 [0,1,0,0,0,0|3,0,0]=4 601 B8R0.9 CC(=O)O\C=C(\C)C=O Amb27966540 [0,1,0,0,0,0|3,0,0]=4 602 B8R0.9 CC(=O)\C=C\C(O)C=O Amb27798118 [0,1,0,0,0,0|2,0,1]=4 603 B8R0.9 CC(C)=C\C=C(/C)C=O Amb28240306 [0,1,0,0,0,0|3,0,0]=4 604 B8R0.9 CC(\C=C\C(=O)O)=C/Br Amb27650571 [0,1,0,0,0,0|1,0,0]=2 605 B8R0.9 CC(\C=C\C(=O)O)CN Amb27234754 [0,1,0,0,0,0|1,0,2]=4 606 B8R0.9 CCC(=N)SCC(=O)O Amb27412807 [0,1,0,0,0,0|1,0,2]=4 607 B8R0.9 CCC(=O)CCC(=O)O Amb2099579 [0,1,0,0,0,0|0,0,3]=4 608 B8R0.9 CCC(=O)NCC(=O)O Amb1120037 [0,1,0,0,0,0|1,0,2]=4 609 B8R0.9 CCC(=O)\C=C/C(=O)O Amb27838748 [0,1,0,0,0,0|0,0,1]=2 610 B8R0.9 CCC(=O)\C=C\C(=O)O Amb18642585 [0,1,0,0,0,0|0,0,1]=2 611 B8R0.9 CCC(=O)\C=C\C(C)O Amb28049154 [0,1,0,0,0,0|1,0,2]=4 612 B8R0.9 CCC(C)\C=C\C(=O)O Amb33171963 [0,1,0,0,0,0|0,0,2]=3 613 B8R0.9 CCC(C)\C=C\C(C)=O Amb24062970 [0,1,0,0,0,0|1,0,2]=4 614 B8R0.9 CCC(C)\C=C\C(N)=O Amb27439352 [0,1,0,0,0,0|1,0,2]=4 615 B8R0.9 CCC(N)\C=C\C(=O)O Amb27867410 [0,1,0,0,0,0|0,0,2]=3 616 B8R0.9 CCS(=O)\C=C\C(=O)O Amb28347741 [0,1,0,0,0,0|1,0,1]=3 617 B8R0.9 CC[C@@H](C)\C=C\C(=O)O Amb24117189 [0,1,0,0,0,0|0,0,2]=3 618 B8R0.9 CC[C@H](N)\C=C\C(=O)O Amb27878954 [0,1,0,0,0,0|0,0,2]=3 619 B8R0.9 CC\C(C)=C\CC(=O)O Amb22011800 [0,1,0,0,0,0|0,0,2]=3 620 B8R0.9 CNC(=O)CCC(=O)O Amb2720937 [0,1,0,0,0,0|1,0,2]=4 621 B8R0.9 CNC(=O)NCC(=O)O Amb1130948 [0,1,0,0,0,0|2,0,1]=4 622 B8R0.9 CNC(=O)OCC(=O)O Amb30018932 [0,1,0,0,0,0|2,0,1]=4 623 B8R0.9 CNC(=O)\C=C/C(=O)O Amb2720469 [0,1,0,0,0,0|1,0,0]=2 624 B8R0.9 CNC(=O)\C=C\C(=O)O Amb9277097 [0,1,0,0,0,0|1,0,0]=2 625 B8R0.9 CNC(=S)NCC(=O)O Amb4044376 [0,1,0,0,0,0|2,0,1]=4 626 B8R0.9 COC(=O)CCC(=O)O Amb6538024 [0,1,0,0,0,0|1,0,2]=4 627 B8R0.9 COC(=O)NCC(=O)O Amb3941451 [0,1,0,0,0,0|2,0,1]=4 628 B8R0.9 COC(=O)OCC(=O)O Amb8393899 [0,1,0,0,0,0|2,0,1]=4 629 B8R0.9 COC(=O)\C=C/C(=O)O Amb6295872 [0,1,0,0,0,0|1,0,0]=2 630 B8R0.9 COC(=O)\C=C\B(O)O Amb26080593 [0,1,0,0,0,0|2,0,1]=4 631 B8R0.9 COC(=O)\C=C\C(=O)Cl Amb32664984 [0,1,0,0,0,0|2,0,0]=3 632 B8R0.9 COC(=O)\C=C\C(=O)O Amb33511119 [0,1,0,0,0,0|1,0,0]=2 633 B8R0.9 COC(=O)\C=C\C(C)=O Amb22336182 [0,1,0,0,0,0|2,0,0]=3 634 B8R0.9 COC(=O)\C=C\C(C)O Amb27484758 [0,1,0,0,0,0|2,0,1]=4 635 B8R0.9 COC(=O)\C=C\N(C)O Amb27202378 [0,1,0,0,0,0|3,0,0]=4 636 B8R0.9 COC(=O)\C=C\S(=O)[O-] Amb32755663 [0,1,0,0,0,0|2,0,1]=4 637 B8R0.9 COC(=O)\C=C\S(C)=O Amb28049230 [0,1,0,0,0,0|3,0,0]=4 638 B8R0.9 COC(=S)SCC(=O)O Amb26653180 [0,1,0,0,0,0|2,0,1]=4 639 B8R0.9 COC(C)\C=C\C(=O)O Amb27203687 [0,1,0,0,0,0|1,0,1]=3 640 B8R0.9 COC(C)\C=C\C(C)=O Amb27841431 [0,1,0,0,0,0|2,0,1]=4 641 B8R0.9 CON(C)\C=C\C(=O)O Amb35734889 [0,1,0,0,0,0|2,0,0]=3 642 B8R0.9 CO\C(C)=C\CC(=O)O Amb27963206 [0,1,0,0,0,0|1,0,1]=3 643 B8R0.9 CO\P(=O)=C\CC(=O)O Amb27199324 [0,1,0,0,0,0|2,0,1]=4 644 B8R0.9 CSC(=O)\C=C/C(C)=O Amb27256793 [0,1,0,0,0,0|2,0,0]=3 645 B8R0.9 C\C(C#N)=C\CC(=O)O Amb27196398 [0,1,0,0,0,0|1,0,2]=4 646 B8R0.9 C\C=C(C)/C=C/C(=O)O Amb27838460 [0,1,0,0,0,0|0,0,0]=1 647 B8R0.9 C\C=C(C)/C=C/C(C)=O Amb27428251 [0,1,0,0,0,0|1,0,0]=2 648 B8R0.9 C\C=C(C)\C=C/C(C)=O Amb28199822 [0,1,0,0,0,0|1,0,0]=2 649 B8R0.9 C\C=C(C)\C=C\C(=O)O Amb18642399 [0,1,0,0,0,0|0,0,0]=1 650 B8R0.9 C\C=C(Cl)\C=C\C(=O)O Amb28137785 [0,1,0,0,0,0|0,0,0]=1 651 B8R0.9 C\C=C(F)\C=C\C(=O)O Amb27826588 [0,1,0,0,0,0|0,0,0]=1 652 B8R0.9 C\C=C(\C)CCC(C)=O Amb24610198 [0,1,0,0,0,0|1,0,2]=4 653 B8R0.9 C\C=C(\C)OCC(C)=O Amb27844138 [0,1,0,0,0,0|2,0,1]=4 654 B8R0.9 NC(=O)\N=C\C(O)=C\O Amb27436209 [0,1,0,0,0,0|3,0,0]=4 655 B8R0.9 O=C(O)CS\C(Cl)=C\Cl Amb27858758 [0,1,0,0,0,0|2,0,1]=4 656 B8R0.9 O=C(O)\C=C\C(=O)NO Amb28060797 [0,1,0,0,0,0|2,0,0]=3 657 B8R0.9 O=C(O)\C=C\C(O)CO Amb18642875 [0,1,0,0,0,0|1,0,2]=4 658 B8R0.9 O=C(O)\C=C\[C@H](O)CO Amb27437218 [0,1,0,0,0,0|1,0,2]=4 659 B8R0.9 O=CC(=O)CCC(=O)O Amb18642737 [0,1,0,0,0,0|1,0,2]=4 660 B8R0.21 CCC\C=C\S(=O)(=O)O Amb28140687 [0,1,0,0,0,0|1,0,2]=4 661 B8R0.21 C\C=C\C=C/C(C)(C)C Amb22641688 [0,1,0,0,0,0|2,0,1]=4 662 B8R0.21 C\C=C\C=C/S(=O)(=O)Cl Amb27247927 [0,1,0,0,0,0|1,0,1]=3 663 B8R0.21 C\C=C\C=C\P(=O)(Cl)Cl Amb27490053 [0,1,0,0,0,0|2,0,0]=3 664 B8R0.21 C\C=C\C=C\S(=O)(=O)Cl Amb27252982 [0,1,0,0,0,0|1,0,1]=3 665 B8R0.28 C=C(C)C=C=CC(C)O Amb28049120 [0,1,0,0,0,0|1,0,2]=4 666 B8R0.28 C=C(C)CCCC(=O)O Amb2699907 [0,1,0,0,0,0|0,0,3]=4 667 B8R0.28 C=C(C)CSCC(=O)O Amb6280447 [0,1,0,0,0,0|1,0,2]=4 668 B8R0.28 C=C(C)C\C=C\C(=O)O Amb27602149 [0,1,0,0,0,0|0,0,1]=2 669 B8R0.28 C=C(C)\C=C\CC(=C)C Amb26568302 [0,1,0,0,0,0|2,0,1]=4 670 B8R0.28 C=C(C)\C=C\CC(=O)O Amb18642409 [0,1,0,0,0,0|0,0,1]=2 671 B8R0.28 C=C(C)\C=C\CC(C)=O Amb24744667 [0,1,0,0,0,0|1,0,1]=3 672 B8R0.28 C=C(C)\C=N\NC(N)=O Amb25146148 [0,1,0,0,0,0|3,0,0]=4 673 B8R0.28 CC(=O)C#CC=C(C)C Amb25680869 [0,1,0,0,0,0|1,0,2]=4 674 B8R0.28 CC(=O)CC=C=C(C)C Amb17593280 [0,1,0,0,0,0|1,0,2]=4 675 B8R0.28 CC(=O)CCC=C(C)C Amb533052 [0,1,0,0,0,0|1,0,2]=4 676 B8R0.28 CC(=O)CCCC(=O)O Amb1158049 [0,1,0,0,0,0|0,0,3]=4 677 B8R0.28 CC(=O)CC\C=C(\C)Cl Amb17593664 [0,1,0,0,0,0|1,0,2]=4 678 B8R0.28 CC(=O)CSCC(=O)O Amb26415891 [0,1,0,0,0,0|1,0,2]=4 679 B8R0.28 CC(=O)C\C=C\C(C)C Amb26846089 [0,1,0,0,0,0|1,0,2]=4 680 B8R0.28 CC(=O)C\C=C\C(C)O Amb26528351 [0,1,0,0,0,0|1,0,2]=4 681 B8R0.28 CC(=O)C\C=C\N(C)C Amb27191796 [0,1,0,0,0,0|2,0,1]=4 682 B8R0.28 CC(=O)NCC=C(C)C Amb26606550 [0,1,0,0,0,0|2,0,1]=4 683 B8R0.28 CC(=O)NCCC(=O)O Amb1104704 [0,1,0,0,0,0|1,0,2]=4 684 B8R0.28 CC(=O)NOCC(=O)O Amb25921073 [0,1,0,0,0,0|2,0,1]=4 685 B8R0.28 CC(=O)N\C=C/C(C)=S Amb27472902 [0,1,0,0,0,0|2,0,0]=3 686 B8R0.28 CC(=O)N\C=C/C(C)C Amb28437296 [0,1,0,0,0,0|2,0,1]=4 687 B8R0.28 CC(=O)N\C=C\C(C)=S Amb27229569 [0,1,0,0,0,0|2,0,0]=3 688 B8R0.28 CC(=O)OCC=C(C)C Amb22002433 [0,1,0,0,0,0|2,0,1]=4 689 B8R0.28 CC(=O)OCCC(=O)O Amb18642866 [0,1,0,0,0,0|1,0,2]=4 690 B8R0.28 CC(=O)O\N=C/C(=O)O Amb27593741 [0,1,0,0,0,0|2,0,0]=3 691 B8R0.28 CC(=O)SCC=C(C)C Amb17617246 [0,1,0,0,0,0|2,0,1]=4 692 B8R0.28 CC(=O)SCCC(=O)O Amb17607685 [0,1,0,0,0,0|1,0,2]=4 693 B8R0.28 CC(=O)S\C=C\C(=O)O Amb26969288 [0,1,0,0,0,0|1,0,0]=2 694 B8R0.28 CC(=O)\C=C/C=C(C)C Amb28198620 [0,1,0,0,0,0|1,0,0]=2 695 B8R0.28 CC(=O)\C=C/CC(C)C Amb27190424 [0,1,0,0,0,0|1,0,2]=4 696 B8R0.28 CC(=O)\C=C/C[N+](=O)[O-] Amb28322797 [0,1,0,0,0,0|1,0,2]=4 697 B8R0.28 CC(=O)\C=C/NC(C)C Amb28388378 [0,1,0,0,0,0|2,0,1]=4 698 B8R0.28 CC(=O)\C=C/OC(C)=O Amb28364680 [0,1,0,0,0,0|2,0,0]=3 699 B8R0.28 CC(=O)\C=C\C=C(C)C Amb26890921 [0,1,0,0,0,0|1,0,0]=2 700 B8R0.28 CC(=O)\C=C\CC(=O)O Amb26900226 [0,1,0,0,0,0|0,0,1]=2 701 B8R0.28 CC(=O)\C=C\CC(C)C Amb3354778 [0,1,0,0,0,0|1,0,2]=4 702 B8R0.28 CC(=O)\C=C\C[N+](=O)[O-] Amb27444805 [0,1,0,0,0,0|1,0,2]=4 703 B8R0.28 CC(=O)\C=N\C=[N+](/C)[O-] Amb27199464 [0,1,0,0,0,0|3,0,0]=4 704 B8R0.28 CC(=O)\C=N\OC(C)=O Amb27788385 [0,1,0,0,0,0|3,0,0]=4 705 B8R0.28 CC(=O)\N=C\NC(C)=O Amb24541273 [0,1,0,0,0,0|3,0,0]=4 706 B8R0.28 CC(C)=CCCC(=O)O Amb10601609 [0,1,0,0,0,0|0,0,2]=3 707 B8R0.28 CC(C)=C\C=C\C(=O)O Amb18642414 [0,1,0,0,0,0|0,0,0]=1 708 B8R0.28 CC(C)=C\C=C\C(C)O Amb27956644 [0,1,0,0,0,0|1,0,1]=3 709 B8R0.28 CC(C)=NNCC(=O)O Amb27958222 [0,1,0,0,0,0|2,0,1]=4 710 B8R0.28 CC(C)C\C=C\C(=O)O Amb8392407 [0,1,0,0,0,0|0,0,2]=3 711 B8R0.28 CC(C)S\C=C\C(=O)O Amb27838559 [0,1,0,0,0,0|1,0,1]=3 712 B8R0.28 CC(C)\C=C\CC(=O)O Amb17844074 [0,1,0,0,0,0|0,0,2]=3 713 B8R0.28 CC(N)C\C=C\C(=O)O Amb27863954 [0,1,0,0,0,0|0,0,2]=3 714 B8R0.28 CN(C)C\C=C/C(=O)O Amb26347338 [0,1,0,0,0,0|1,0,1]=3 715 B8R0.28 CN(C)C\C=C/C(=O)[O-] Amb32674754 [0,1,0,0,0,0|1,0,2]=4 716 B8R0.28 CN(C)C\C=C\C(=O)Cl Amb32666591 [0,1,0,0,0,0|2,0,1]=4 717 B8R0.28 CN(C)C\C=C\C(=O)Cl Amb32666795 [0,1,0,0,0,0|2,0,1]=4 718 B8R0.28 CN(C)C\C=C\C(=O)O Amb15695416 [0,1,0,0,0,0|1,0,1]=3 719 B8R0.28 CN(C)C\C=C\C(=O)O Amb33716600 [0,1,0,0,0,0|1,0,1]=3 720 B8R0.28 CN(C)C\C=C\C(=O)O Amb8395946 [0,1,0,0,0,0|1,0,1]=3 721 B8R0.28 CN(C)C\C=C\C(N)=O Amb24476695 [0,1,0,0,0,0|2,0,1]=4 722 B8R0.28 C[C@H](N)C\C=C\C(=O)O Amb27784845 [0,1,0,0,0,0|0,0,2]=3 723 B8R0.28 C[C@H](N)\C=C\CC(=O)O Amb28044026 [0,1,0,0,0,0|0,0,2]=3 724 B8R0.28 C[C@H](O)C\C=C\C(=O)O Amb27812394 [0,1,0,0,0,0|0,0,2]=3 725 B8R0.28 C\C(Cl)=C/CNC(N)=O Amb27252067 [0,1,0,0,0,0|2,0,1]=4 726 B8R0.28 C\C(O)=C/C=C/C(C)O Amb27776889 [0,1,0,0,0,0|1,0,1]=3 727 B8R0.28 C\C(O)=C\C=C/C(C)O Amb28076045 [0,1,0,0,0,0|1,0,1]=3 728 B8R0.28 C\C(O)=C\C=C\C(C)O Amb27848184 [0,1,0,0,0,0|1,0,1]=3 729 B8R0.28 N=C(N)N\N=C\C(=O)O Amb33755273 [0,1,0,0,0,0|3,0,0]=4 730 B8R0.28 N=C(N)S\C=C/C(=O)O Amb28314144 [0,1,0,0,0,0|2,0,0]=3 731 B8R0.28 NC(=O)N\C=C/C(=O)O Amb28437236 [0,1,0,0,0,0|2,0,0]=3 732 B8R0.28 NC(=O)N\C=C\C(=O)O Amb541061 [0,1,0,0,0,0|2,0,0]=3 733 B8R0.28 NC(=O)N\N=C\C(=O)O Amb10552378 [0,1,0,0,0,0|3,0,0]=4 734 B8R0.28 NC(=S)S\C=C/C(=O)O Amb28325316 [0,1,0,0,0,0|2,0,0]=3 735 B8R0.28 NC(=S)S\C=C\C(=O)O Amb10552410 [0,1,0,0,0,0|2,0,0]=3 736 B8R0.28 N\C(S)=N\N=C\C(=O)O Amb27467785 [0,1,0,0,0,0|3,0,0]=4 737 B8R0.28 O=C(O)C=C=CC(=O)O Amb17593335 [0,1,0,0,0,0|1,0,1]=3 738 B8R0.28 O=C(O)\C=C/CC(=O)O Amb27882014 [0,1,0,0,0,0|1,0,1]=3 739 B8R0.28 O=C(O)\C=C\C=C(Cl)Cl Amb27478030 [0,1,0,0,0,0|1,0,0]=2 740 B8R0.28 O=C(O)\C=C\CC(=O)O Amb1154189 [0,1,0,0,0,0|1,0,1]=3 741 B8R1.1 BrCc1ccc(Br)o1 Amb22498773 [0,0,0,1,0,0|2,0,1]=4 742 B8R1.1 C#Cc1ccc(Br)o1 Amb25132971 [0,0,0,1,0,0|1,0,2]=4 743 B8R1.1 C#Cc1ccc(C)o1 Amb28048958 [0,0,0,1,0,0|1,0,2]=4 744 B8R1.1 C#Cc1ccc(Cl)o1 Amb33258567 [0,0,0,1,0,0|1,0,2]=4 745 B8R1.1 C#Cc1ccc(I)o1 Amb26627776 [0,0,0,1,0,0|1,0,2]=4 746 B8R1.1 C=CC1=CCC(=O)N1 Amb27408608 [0,0,0,1,0,0|1,0,2]=4 747 B8R1.1 C=CC1=CNC(=S)O1 Amb27870307 [0,0,0,1,0,0|1,1,1]=4 748 B8R1.1 C=C[C@@H]1C=CC(=O)C1 Amb28202331 [0,0,0,1,0,0|1,0,2]=4 749 B8R1.1 C=Cc1ccc(Br)o1 Amb25264206 [0,0,0,1,0,0|1,0,1]=3 750 B8R1.1 C=Cc1ccc(Br)s1 Amb17594904 [0,0,0,1,0,0|1,1,1]=4 751 B8R1.1 C=Cc1ccc(C)o1 Amb22126655 [0,0,0,1,0,0|1,0,1]=3 752 B8R1.1 C=Cc1ccc(C)s1 Amb26496095 [0,0,0,1,0,0|1,1,1]=4 753 B8R1.1 C=Cc1ccc(Cl)o1 Amb25684642 [0,0,0,1,0,0|1,0,1]=3 754 B8R1.1 C=Cc1ccc(Cl)s1 Amb17672604 [0,0,0,1,0,0|1,1,1]=4 755 B8R1.1 C=Cc1ccc(N)o1 Amb27230225 [0,0,0,1,0,0|1,0,1]=3 756 B8R1.1 C=Cc1cnc(N)o1 Amb27793418 [0,0,0,1,0,0|2,0,1]=4 757 B8R1.1 CCC1=CCC(=O)O1 Amb27974572 [0,0,0,1,0,0|0,0,2]=3 758 B8R1.1 CCC1=CCC(=O)S1 Amb27631498 [0,0,0,1,0,0|0,1,2]=4 759 B8R1.1 CCC1=CNC(=O)N1 Amb20669270 [0,0,0,1,0,0|2,0,1]=4 760 B8R1.1 CCC1=CSC(=O)N1 Amb26436769 [0,0,0,1,0,0|2,0,1]=4 761 B8R1.1 CCC1C=CC(=O)O1 Amb23571855 [0,0,0,1,0,0|0,0,2]=3 762 B8R1.1 CC[C@@H]1C=CC(=O)O1 Amb27954643 [0,0,0,1,0,0|0,0,2]=3 763 B8R1.1 CC[C@H]1C=CC(=O)O1 Amb28195329 [0,0,0,1,0,0|0,0,2]=3 764 B8R1.1 CCc1ccc(Br)o1 Amb10600653 [0,0,0,1,0,0|1,0,1]=3 765 B8R1.1 CCc1ccc(Br)s1 Amb10600651 [0,0,0,1,0,0|1,1,1]=4 766 B8R1.1 CCc1ccc(C)o1 Amb22235241 [0,0,0,1,0,0|1,0,1]=3 767 B8R1.1 CCc1ccc(C)s1 Amb15691670 [0,0,0,1,0,0|1,1,1]=4 768 B8R1.1 CCc1ccc(Cl)o1 Amb27162312 [0,0,0,1,0,0|1,0,1]=3 769 B8R1.1 CCc1ccc(Cl)s1 Amb25811685 [0,0,0,1,0,0|1,1,1]=4 770 B8R1.1 CCc1ccc(F)o1 Amb26028407 [0,0,0,1,0,0|1,0,1]=3 771 B8R1.1 CCc1ccc(F)s1 Amb27200756 [0,0,0,1,0,0|1,1,1]=4 772 B8R1.1 CCc1ccc(I)o1 Amb26597699 [0,0,0,1,0,0|1,0,1]=3 773 B8R1.1 CCc1ccc(I)s1 Amb24332471 [0,0,0,1,0,0|1,1,1]=4 774 B8R1.1 CCc1ccc(N)o1 Amb10600654 [0,0,0,1,0,0|1,0,1]=3 775 B8R1.1 CCc1ccc(N)s1 Amb10600652 [0,0,0,1,0,0|1,1,1]=4 776 B8R1.1 CCc1ccc(O)o1 Amb28370537 [0,0,0,1,0,0|0,0,2]=3 777 B8R1.1 CCc1ccc(O)s1 Amb20617898 [0,0,0,1,0,0|0,1,1]=3 778 B8R1.1 CCc1ccc(S)s1 Amb17939214 [0,0,0,1,0,0|0,2,1]=4 779 B8R1.1 CCc1cnc(Br)o1 Amb25830436 [0,0,0,1,0,0|2,0,1]=4 780 B8R1.1 CCc1cnc(C)o1 Amb27636741 [0,0,0,1,0,0|2,0,1]=4 781 B8R1.1 CCc1cnc(Cl)o1 Amb33039836 [0,0,0,1,0,0|2,0,1]=4 782 B8R1.1 CCc1cnc(N)o1 Amb18947812 [0,0,0,1,0,0|2,0,1]=4 783 B8R1.1 CCc1cnc(O)s1 Amb13884345 [0,0,0,1,0,0|1,1,1]=4 784 B8R1.1 CCc1csc(O)c1 Amb20617197 [0,0,0,1,0,0|2,0,1]=4 785 B8R1.1 CCc1nc(O)cs1 Amb10599933 [0,0,0,1,0,0|2,0,1]=4 786 B8R1.1 CCc1ncc(Br)o1 Amb25709768 [0,0,0,1,0,0|2,0,1]=4 787 B8R1.1 CCc1ncc(N)o1 Amb18559669 [0,0,0,1,0,0|2,0,1]=4 788 B8R1.1 CCc1ncc(O)s1 Amb10600225 [0,0,0,1,0,0|1,1,1]=4 789 B8R1.1 CCn1ccc(O)n1 Amb25332241 [0,0,0,1,0,0|2,0,1]=4 790 B8R1.1 CNC1=CNC(=O)N1 Amb27445830 [0,0,0,1,0,0|3,0,0]=4 791 B8R1.1 CNC1=NS(=O)C=C1 Amb28240576 [0,0,0,1,0,0|3,0,0]=4 792 B8R1.1 CNc1ccc(Br)s1 Amb18055073 [0,0,0,1,0,0|2,1,0]=4 793 B8R1.1 CNc1ccc(C)o1 Amb26495449 [0,0,0,1,0,0|2,0,0]=3 794 B8R1.1 COC1=CNC(=O)C1 Amb28347065 [0,0,0,1,0,0|3,0,0]=4 795 B8R1.1 COC1C=CC(=O)N1 Amb24444246 [0,0,0,1,0,0|2,0,1]=4 796 B8R1.1 COC1C=CC(=O)O1 Amb22490509 [0,0,0,1,0,0|1,0,1]=3 797 B8R1.1 COc1ccc(Br)o1 Amb26320164 [0,0,0,1,0,0|2,0,0]=3 798 B8R1.1 COc1ccc(Br)s1 Amb18190248 [0,0,0,1,0,0|2,1,0]=4 799 B8R1.1 COc1ccc(C)o1 Amb27453708 [0,0,0,1,0,0|2,0,0]=3 800 B8R1.1 COc1ccc(C)s1 Amb25108498 [0,0,0,1,0,0|2,1,0]=4 801 B8R1.1 COc1ccc(Cl)o1 Amb27590171 [0,0,0,1,0,0|2,0,0]=3 802 B8R1.1 COc1ccc(F)o1 Amb25783067 [0,0,0,1,0,0|2,0,0]=3 803 B8R1.1 COc1ccc(I)o1 Amb25304106 [0,0,0,1,0,0|2,0,0]=3 804 B8R1.1 COc1ccc(I)s1 Amb25929678 [0,0,0,1,0,0|2,1,0]=4 805 B8R1.1 COc1ccc(N)o1 Amb18203371 [0,0,0,1,0,0|2,0,0]=3 806 B8R1.1 COc1ccc(O)o1 Amb27193653 [0,0,0,1,0,0|1,0,1]=3 807 B8R1.1 COc1ccc(S)o1 Amb28129937 [0,0,0,1,0,0|1,1,0]=3 808 B8R1.1 COc1cnc(C)o1 Amb27841869 [0,0,0,1,0,0|3,0,0]=4 809 B8R1.1 COc1cnc(N)o1 Amb27631701 [0,0,0,1,0,0|3,0,0]=4 810 B8R1.1 COc1ncc(O)s1 Amb25782839 [0,0,0,1,0,0|2,1,0]=4 811 B8R1.1 COn1ccc(O)c1 Amb27259859 [0,0,0,1,0,0|3,0,0]=4 812 B8R1.1 CSC1=CCC(=O)S1 Amb27797471 [0,0,0,1,0,0|1,1,1]=4 813 B8R1.1 CSC1=COC(=O)N1 Amb27872292 [0,0,0,1,0,0|3,0,0]=4 814 B8R1.1 CSc1ccc(Br)s1 Amb26013080 [0,0,0,1,0,0|2,1,0]=4 815 B8R1.1 CSc1ccc(C)s1 Amb17672797 [0,0,0,1,0,0|2,1,0]=4 816 B8R1.1 CSc1ccc(Cl)s1 Amb25980290 [0,0,0,1,0,0|2,1,0]=4 817 B8R1.1 CSc1ncc(C)o1 Amb27963268 [0,0,0,1,0,0|3,0,0]=4 818 B8R1.1 C\C=C1/C=CC(=O)S1 Amb27638992 [0,0,0,1,0,0|0,1,0]=2 819 B8R1.1 C\C=C1\CCC(=O)O1 Amb27421031 [0,0,0,1,0,0|0,0,2]=3 820 B8R1.1 Cc1ccc(C#N)o1 Amb1152445 [0,0,0,1,0,0|2,0,1]=4 821 B8R1.1 Cc1ccc(C=O)o1 Amb1151338 [0,0,0,1,0,0|2,0,0]=3 822 B8R1.1 Cc1ccc(C=O)s1 Amb2447398 [0,0,0,1,0,0|2,1,0]=4 823 B8R1.1 Cc1ccc(CBr)o1 Amb16234119 [0,0,0,1,0,0|2,0,1]=4 824 B8R1.1 Cc1ccc(CCl)o1 Amb6717232 [0,0,0,1,0,0|2,0,1]=4 825 B8R1.1 Cc1ccc(CN)o1 Amb1124819 [0,0,0,1,0,0|2,0,1]=4 826 B8R1.1 Cc1ccc(CO)o1 Amb1856157 [0,0,0,1,0,0|2,0,1]=4 827 B8R1.1 Cc1ccc(CS)o1 Amb28128378 [0,0,0,1,0,0|2,0,1]=4 828 B8R1.1 Cc1cnc(C=O)o1 Amb8010965 [0,0,0,1,0,0|3,0,0]=4 829 B8R1.1 Cc1ncc(C=O)o1 Amb8010968 [0,0,0,1,0,0|3,0,0]=4 830 B8R1.1 ClCc1ccc(Br)o1 Amb6717236 [0,0,0,1,0,0|2,0,1]=4 831 B8R1.1 ClCc1ccc(Cl)o1 Amb24433248 [0,0,0,1,0,0|2,0,1]=4 832 B8R1.1 Clc1ccc(CBr)o1 Amb24452907 [0,0,0,1,0,0|2,0,1]=4 833 B8R1.1 Fc1ccc(CS)o1 Amb26504113 [0,0,0,1,0,0|2,0,1]=4 834 B8R1.1 N#Cc1ccc(Br)o1 Amb33528581 [0,0,0,1,0,0|2,0,1]=4 835 B8R1.1 N#Cc1ccc(Cl)o1 Amb18642557 [0,0,0,1,0,0|2,0,1]=4 836 B8R1.1 N#Cc1ccc(F)o1 Amb24623154 [0,0,0,1,0,0|2,0,1]=4 837 B8R1.1 N#Cc1ccc(I)o1 Amb22052210 [0,0,0,1,0,0|2,0,1]=4 838 B8R1.1 N#Cc1ccc(N)o1 Amb18203412 [0,0,0,1,0,0|2,0,1]=4 839 B8R1.1 N#Cc1ccc(O)o1 Amb27666420 [0,0,0,1,0,0|1,0,2]=4 840 B8R1.1 N#Cc1ccc(O)s1 Amb5719987 [0,0,0,1,0,0|1,1,1]=4 841 B8R1.1 NCC1=CNC(=O)O1 Amb27790043 [0,0,0,1,0,0|2,0,1]=4 842 B8R1.1 NCC1C=CC(=O)O1 Amb27842373 [0,0,0,1,0,0|1,0,2]=4 843 B8R1.1 NCc1ccc(Br)o1 Amb1099320 [0,0,0,1,0,0|2,0,1]=4 844 B8R1.1 NCc1ccc(Br)o1 Amb22500479 [0,0,0,1,0,0|2,0,1]=4 845 B8R1.1 NCc1ccc(Cl)o1 Amb2606114 [0,0,0,1,0,0|2,0,1]=4 846 B8R1.1 NCc1ccc(I)o1 Amb9620839 [0,0,0,1,0,0|2,0,1]=4 847 B8R1.1 Nc1ccc(C=O)o1 Amb18833112 [0,0,0,1,0,0|2,0,0]=3 848 B8R1.1 Nc1ccc(C=O)s1 Amb18202442 [0,0,0,1,0,0|2,1,0]=4 849 B8R1.1 Nc1ccc(CS)o1 Amb24365127 [0,0,0,1,0,0|2,0,1]=4 850 B8R1.1 Nc1ncc(C=O)o1 Amb23400983 [0,0,0,1,0,0|3,0,0]=4 851 B8R1.1 O=C1C=CC(CBr)O1 Amb24423424 [0,0,0,1,0,0|1,0,2]=4 852 B8R1.1 O=C1C=C[C@@H](CBr)O1 Amb28128549 [0,0,0,1,0,0|1,0,2]=4 853 B8R1.1 O=C1C=C[C@@H](CO)O1 Amb3939187 [0,0,0,1,0,0|1,0,2]=4 854 B8R1.1 O=C1C=C[C@H](CO)O1 Amb2699833 [0,0,0,1,0,0|1,0,2]=4 855 B8R1.1 O=C1C=C\C(=C/Br)O1 Amb26420865 [0,0,0,1,0,0|1,0,0]=2 856 B8R1.1 O=C1C=P\C(=C/P)O1 Amb28247307 [0,0,0,1,0,0|2,0,0]=3 857 B8R1.1 O=C1CC=C(CO)O1 Amb26977633 [0,0,0,1,0,0|1,0,2]=4 858 B8R1.1 O=C1OC=C(CBr)O1 Amb22491256 [0,0,0,1,0,0|2,0,1]=4 859 B8R1.1 O=CC1=CSC(=O)S1 Amb25984894 [0,0,0,1,0,0|2,1,0]=4 860 B8R1.1 O=Cc1cc(O)co1 Amb28049029 [0,0,0,1,0,0|3,0,0]=4 861 B8R1.1 O=Cc1cc(O)cs1 Amb28138899 [0,0,0,1,0,0|3,0,0]=4 862 B8R1.1 O=Cc1ccc(Br)o1 Amb1153092 [0,0,0,1,0,0|2,0,0]=3 863 B8R1.1 O=Cc1ccc(Br)s1 Amb1161542 [0,0,0,1,0,0|2,1,0]=4 864 B8R1.1 O=Cc1ccc(Cl)o1 Amb1157854 [0,0,0,1,0,0|2,0,0]=3 865 B8R1.1 O=Cc1ccc(Cl)s1 Amb1159320 [0,0,0,1,0,0|2,1,0]=4 866 B8R1.1 O=Cc1ccc(F)o1 Amb18203364 [0,0,0,1,0,0|2,0,0]=3 867 B8R1.1 O=Cc1ccc(F)s1 Amb10249047 [0,0,0,1,0,0|2,1,0]=4 868 B8R1.1 O=Cc1ccc(I)o1 Amb1669363 [0,0,0,1,0,0|2,0,0]=3 869 B8R1.1 O=Cc1ccc(I)s1 Amb20621479 [0,0,0,1,0,0|2,1,0]=4 870 B8R1.1 O=Cc1ccc(O)o1 Amb26370088 [0,0,0,1,0,0|1,0,1]=3 871 B8R1.1 O=Cc1ccc(O)s1 Amb24741796 [0,0,0,1,0,0|1,1,0]=3 872 B8R1.1 O=Cc1ccc(S)s1 Amb26641991 [0,0,0,1,0,0|1,2,0]=4 873 B8R1.1 O=Cc1cnc(Br)o1 Amb10067561 [0,0,0,1,0,0|3,0,0]=4 874 B8R1.1 O=Cc1cnc(O)s1 Amb18832574 [0,0,0,1,0,0|2,1,0]=4 875 B8R1.1 O=Cc1nc(O)cs1 Amb35710100 [0,0,0,1,0,0|3,0,0]=4 876 B8R1.1 OCc1ccc(Br)o1 Amb1111133 [0,0,0,1,0,0|2,0,1]=4 877 B8R1.1 OCc1ccc(Cl)o1 Amb22498874 [0,0,0,1,0,0|2,0,1]=4 878 B8R1.1 OCc1ccc(F)o1 Amb24696625 [0,0,0,1,0,0|2,0,1]=4 879 B8R1.1 OCc1ccc(I)o1 Amb9619570 [0,0,0,1,0,0|2,0,1]=4 880 B8R1.1 Oc1ccc(CS)o1 Amb27152480 [0,0,0,1,0,0|1,0,2]=4 881 B8R1.1 SCc1ccc(Br)o1 Amb24702374 [0,0,0,1,0,0|2,0,1]=4 882 B8R1.1 SCc1ccc(Cl)o1 Amb25962627 [0,0,0,1,0,0|2,0,1]=4 883 B8R1.1 SCc1ccc(I)o1 Amb25863515 [0,0,0,1,0,0|2,0,1]=4 884 B8R1.4 Brc1cccc(Br)c1 Amb2686715 [0,0,0,1,0,0|3,0,0]=4 885 B8R1.4 Brc1cccc(Br)n1 Amb2725521 [0,0,0,1,0,0|3,0,0]=4 886 B8R1.4 Brc1cccc(I)c1 Amb2447545 [0,0,0,1,0,0|3,0,0]=4 887 B8R1.4 Brc1cccc(I)n1 Amb10071333 [0,0,0,1,0,0|3,0,0]=4 888 B8R1.4 C=C1C=C(C)C=CN1 Amb24070501 [0,0,0,1,0,0|3,0,0]=4 889 B8R1.4 C=C1C=CNC(C)=C1 Amb24084773 [0,0,0,1,0,0|3,0,0]=4 890 B8R1.4 CC1=CC(=O)C=CN1 Amb22492433 [0,0,0,1,0,0|2,0,0]=3 891 B8R1.4 CC1=CC(=O)C=CN1 Amb33714765 [0,0,0,1,0,0|2,0,0]=3 892 B8R1.4 CC1=CC(=O)C=CO1 Amb22386932 [0,0,0,1,0,0|2,0,0]=3 893 B8R1.4 CC1=CC(=O)C=NN1 Amb24501997 [0,0,0,1,0,0|3,0,0]=4 894 B8R1.4 CC1=CC(=O)N=CN1 Amb19879021 [0,0,0,1,0,0|3,0,0]=4 895 B8R1.4 CC1=CC(=O)NC=C1 Amb18034270 [0,0,0,1,0,0|2,0,0]=3 896 B8R1.4 CC1=CC(=O)NC=N1 Amb19116078 [0,0,0,1,0,0|3,0,0]=4 897 B8R1.4 CC1=CC(=O)NC=N1 Amb33621237 [0,0,0,1,0,0|3,0,0]=4 898 B8R1.4 CC1=CC(=O)NN=C1 Amb19892393 [0,0,0,1,0,0|3,0,0]=4 899 B8R1.4 CC1=CC(=S)C=CN1 Amb24062502 [0,0,0,1,0,0|2,1,0]=4 900 B8R1.4 CC1=CC=CC(=O)N1 Amb18540672 [0,0,0,1,0,0|1,0,0]=2 901 B8R1.4 CC1=CC=CC(=O)N1 Amb32789652 [0,0,0,1,0,0|1,0,0]=2 902 B8R1.4 CC1=CC=CC(=O)O1 Amb20247496 [0,0,0,1,0,0|0,0,0]=1 903 B8R1.4 CC1=CC=NC(=O)N1 Amb22371457 [0,0,0,1,0,0|2,0,0]=3 904 B8R1.4 CC1=CC=NC(=S)N1 Amb18800681 [0,0,0,1,0,0|2,1,0]=4 905 B8R1.4 CC1=CCC=C(C)C1 Amb22227756 [0,0,0,1,0,0|2,0,1]=4 906 B8R1.4 CC1=CCCC(=O)C1 Amb27661853 [0,0,0,1,0,0|1,0,2]=4 907 B8R1.4 CC1=CCCC(=O)N1 Amb27949580 [0,0,0,1,0,0|1,0,2]=4 908 B8R1.4 CC1=CCCC(=O)O1 Amb21520320 [0,0,0,1,0,0|0,0,2]=3 909 B8R1.4 CC1=CCNC(=O)O1 Amb23596886 [0,0,0,1,0,0|1,0,1]=3 910 B8R1.4 CC1=CN=CC(=O)N1 Amb20240903 [0,0,0,1,0,0|2,0,0]=3 911 B8R1.4 CC1=CN=NC(=O)C1 Amb28984085 [0,0,0,1,0,0|3,0,0]=4 912 B8R1.4 CC1=CSCC(=O)N1 Amb2386684 [0,0,0,1,0,0|2,0,1]=4 913 B8R1.4 CC1=NC(=O)C=CN1 Amb33552640 [0,0,0,1,0,0|2,0,0]=3 914 B8R1.4 CC1=NC(=O)NC=C1 Amb19267100 [0,0,0,1,0,0|2,0,0]=3 915 B8R1.4 CC1=NC(=O)NC=C1 Amb22168002 [0,0,0,1,0,0|2,0,0]=3 916 B8R1.4 CC1=NC(=S)NC=C1 Amb22727957 [0,0,0,1,0,0|2,1,0]=4 917 B8R1.4 CC1=NC=CC(=O)N1 Amb22058797 [0,0,0,1,0,0|2,0,0]=3 918 B8R1.4 CC1=NC=CC(=O)N1 Amb33719419 [0,0,0,1,0,0|2,0,0]=3 919 B8R1.4 CC1CC(=O)C=CN1 Amb28423365 [0,0,0,1,0,0|2,0,1]=4 920 B8R1.4 CC1CC(=O)C=CO1 Amb25173826 [0,0,0,1,0,0|2,0,1]=4 921 B8R1.4 CC1CC=CC(=O)C1 Amb4034490 [0,0,0,1,0,0|1,0,2]=4 922 B8R1.4 CC1CC=CC(=O)N1 Amb27788159 [0,0,0,1,0,0|1,0,2]=4 923 B8R1.4 CC1CC=CC(=O)O1 Amb22173905 [0,0,0,1,0,0|0,0,2]=3 924 B8R1.4 CN1CC=CC(=O)C1 Amb27186211 [0,0,0,1,0,0|2,0,1]=4 925 B8R1.4 C[C@@H]1CC(=O)C=CO1 Amb22748948 [0,0,0,1,0,0|2,0,1]=4 926 B8R1.4 C[C@@H]1CC=CC(=O)C1 Amb27762503 [0,0,0,1,0,0|1,0,2]=4 927 B8R1.4 C[C@H]1CC(=O)C=CO1 Amb24483279 [0,0,0,1,0,0|2,0,1]=4 928 B8R1.4 C[C@H]1CC=CC(=O)O1 Amb24584842 [0,0,0,1,0,0|0,0,2]=3 929 B8R1.4 C[n+]1cccc(Br)c1 Amb10975994 [0,0,0,1,0,0|3,0,0]=4 930 B8R1.4 C[n+]1cccc(Cl)c1 Amb2609543 [0,0,0,1,0,0|3,0,0]=4 931 B8R1.4 C[n+]1cccc(O)c1 Amb10552608 [0,0,0,1,0,0|2,0,0]=3 932 B8R1.4 C[n+]1cccc(O)c1 Amb10573234 [0,0,0,1,0,0|2,0,0]=3 933 B8R1.4 C[n+]1cccc(O)c1 Amb19652047 [0,0,0,1,0,0|2,0,0]=3 934 B8R1.4 C[n+]1cccc(O)c1 Amb32652599 [0,0,0,1,0,0|2,0,0]=3 935 B8R1.4 C[n+]1cccc(O)c1 Amb4013611 [0,0,0,1,0,0|2,0,0]=3 936 B8R1.4 Cc1cc(Br)ccn1 Amb22754761 [0,0,0,1,0,0|3,0,0]=4 937 B8R1.4 Cc1cc(Br)ccn1 Amb2447671 [0,0,0,1,0,0|3,0,0]=4 938 B8R1.4 Cc1cc(Br)ccn1 Amb8503380 [0,0,0,1,0,0|3,0,0]=4 939 B8R1.4 Cc1cc(Cl)ccn1 Amb2686432 [0,0,0,1,0,0|3,0,0]=4 940 B8R1.4 Cc1cc(Cl)ccn1 Amb6365914 [0,0,0,1,0,0|3,0,0]=4 941 B8R1.4 Cc1cc(F)ccn1 Amb15691009 [0,0,0,1,0,0|3,0,0]=4 942 B8R1.4 Cc1cc(I)ccn1 Amb15691010 [0,0,0,1,0,0|3,0,0]=4 943 B8R1.4 Cc1cc(N)ccn1 Amb1153241 [0,0,0,1,0,0|3,0,0]=4 944 B8R1.4 Cc1cc(N)ccn1 Amb17190918 [0,0,0,1,0,0|3,0,0]=4 945 B8R1.4 Cc1cc(O)ccn1 Amb8386833 [0,0,0,1,0,0|2,0,0]=3 946 B8R1.4 Cc1cc(O)ncn1 Amb2591526 [0,0,0,1,0,0|3,0,0]=4 947 B8R1.4 Cc1cc(O)ncn1 Amb33715886 [0,0,0,1,0,0|3,0,0]=4 948 B8R1.4 Cc1cc([S-])ccn1 Amb30585122 [0,0,0,1,0,0|2,1,0]=4 949 B8R1.4 Cc1ccc[n+](N)c1 Amb28423948 [0,0,0,1,0,0|3,0,0]=4 950 B8R1.4 Cc1ccc[n+]([NH-])c1 Amb27446822 [0,0,0,1,0,0|3,0,0]=4 951 B8R1.4 Cc1ccc[n+]([O-])c1 Amb17776980 [0,0,0,1,0,0|2,0,1]=4 952 B8R1.4 Cc1ccc[n+]([O-])n1 Amb27817004 [0,0,0,1,0,0|2,0,1]=4 953 B8R1.4 Cc1cccc(Br)c1 Amb2685511 [0,0,0,1,0,0|2,0,0]=3 954 B8R1.4 Cc1cccc(Br)n1 Amb2685342 [0,0,0,1,0,0|2,0,0]=3 955 B8R1.4 Cc1cccc(C)c1 Amb6608996 [0,0,0,1,0,0|2,0,0]=3 956 B8R1.4 Cc1cccc(C)n1 Amb22734688 [0,0,0,1,0,0|2,0,0]=3 957 B8R1.4 Cc1cccc(C)n1 Amb2609959 [0,0,0,1,0,0|2,0,0]=3 958 B8R1.4 Cc1cccc(Cl)c1 Amb6296593 [0,0,0,1,0,0|2,0,0]=3 959 B8R1.4 Cc1cccc(Cl)n1 Amb3939995 [0,0,0,1,0,0|2,0,0]=3 960 B8R1.4 Cc1cccc(F)c1 Amb2688427 [0,0,0,1,0,0|2,0,0]=3 961 B8R1.4 Cc1cccc(F)n1 Amb2688234 [0,0,0,1,0,0|2,0,0]=3 962 B8R1.4 Cc1cccc(I)c1 Amb2688892 [0,0,0,1,0,0|2,0,0]=3 963 B8R1.4 Cc1cccc(I)n1 Amb16230965 [0,0,0,1,0,0|2,0,0]=3 964 B8R1.4 Cc1cccc(N)c1 Amb2792819 [0,0,0,1,0,0|2,0,0]=3 965 B8R1.4 Cc1cccc(N)c1 Amb4026398 [0,0,0,1,0,0|2,0,0]=3 966 B8R1.4 Cc1cccc(N)n1 Amb1935084 [0,0,0,1,0,0|2,0,0]=3 967 B8R1.4 Cc1cccc(O)c1 Amb3939017 [0,0,0,1,0,0|1,0,0]=2 968 B8R1.4 Cc1cccc(O)n1 Amb2725655 [0,0,0,1,0,0|1,0,0]=2 969 B8R1.4 Cc1cccc(S)c1 Amb2690595 [0,0,0,1,0,0|1,1,0]=3 970 B8R1.4 Cc1cccc(S)n1 Amb17943113 [0,0,0,1,0,0|1,1,0]=3 971 B8R1.4 Cc1cccn(=O)c1 Amb20621989 [0,0,0,1,0,0|2,0,0]=3 972 B8R1.4 Cc1ccnc(Br)c1 Amb4476992 [0,0,0,1,0,0|3,0,0]=4 973 B8R1.4 Cc1ccnc(Br)n1 Amb8629076 [0,0,0,1,0,0|3,0,0]=4 974 B8R1.4 Cc1ccnc(C)c1 Amb6891936 [0,0,0,1,0,0|3,0,0]=4 975 B8R1.4 Cc1ccnc(C)n1 Amb22491311 [0,0,0,1,0,0|3,0,0]=4 976 B8R1.4 Cc1ccnc(Cl)c1 Amb2686244 [0,0,0,1,0,0|3,0,0]=4 977 B8R1.4 Cc1ccnc(Cl)n1 Amb2786105 [0,0,0,1,0,0|3,0,0]=4 978 B8R1.4 Cc1ccnc(F)c1 Amb2447353 [0,0,0,1,0,0|3,0,0]=4 979 B8R1.4 Cc1ccnc(I)c1 Amb19930103 [0,0,0,1,0,0|3,0,0]=4 980 B8R1.4 Cc1ccnc(I)n1 Amb22497942 [0,0,0,1,0,0|3,0,0]=4 981 B8R1.4 Cc1ccnc(N)c1 Amb1353207 [0,0,0,1,0,0|3,0,0]=4 982 B8R1.4 Cc1ccnc(N)n1 Amb2684479 [0,0,0,1,0,0|3,0,0]=4 983 B8R1.4 Cc1ccnc(O)n1 Amb2717748 [0,0,0,1,0,0|2,0,0]=3 984 B8R1.4 Cc1ccnc(O)n1 Amb8397264 [0,0,0,1,0,0|2,0,0]=3 985 B8R1.4 Cc1ccnc(S)c1 Amb22298792 [0,0,0,1,0,0|2,1,0]=4 986 B8R1.4 Cc1ccnc(S)n1 Amb17758427 [0,0,0,1,0,0|2,1,0]=4 987 B8R1.4 Cc1ccnc(S)n1 Amb3467894 [0,0,0,1,0,0|2,1,0]=4 988 B8R1.4 Cc1cncc(Br)c1 Amb21964859 [0,0,0,1,0,0|3,0,0]=4 989 B8R1.4 Cc1cncc(Br)c1 Amb2610070 [0,0,0,1,0,0|3,0,0]=4 990 B8R1.4 Cc1cncc(Br)n1 Amb10068364 [0,0,0,1,0,0|3,0,0]=4 991 B8R1.4 Cc1cncc(C)c1 Amb8387099 [0,0,0,1,0,0|3,0,0]=4 992 B8R1.4 Cc1cncc(C)n1 Amb8387600 [0,0,0,1,0,0|3,0,0]=4 993 B8R1.4 Cc1cncc(Cl)c1 Amb10602291 [0,0,0,1,0,0|3,0,0]=4 994 B8R1.4 Cc1cncc(Cl)n1 Amb2725017 [0,0,0,1,0,0|3,0,0]=4 995 B8R1.4 Cc1cncc(F)c1 Amb8393037 [0,0,0,1,0,0|3,0,0]=4 996 B8R1.4 Cc1cncc(I)c1 Amb27870759 [0,0,0,1,0,0|3,0,0]=4 997 B8R1.4 Cc1cncc(I)n1 Amb28129757 [0,0,0,1,0,0|3,0,0]=4 998 B8R1.4 Cc1cncc(N)c1 Amb10071116 [0,0,0,1,0,0|3,0,0]=4 999 B8R1.4 Cc1cncc(N)c1 Amb2447680 [0,0,0,1,0,0|3,0,0]=4 1000 B8R1.4 Cc1cncc(N)n1 Amb10071574 [0,0,0,1,0,0|3,0,0]=4 1001 B8R1.4 Cc1cncc(O)c1 Amb3978939 [0,0,0,1,0,0|2,0,0]=3 1002 B8R1.4 Cc1cncc(O)n1 Amb10599623 [0,0,0,1,0,0|2,0,0]=3 1003 B8R1.4 Cc1cncc(S)c1 Amb24062447 [0,0,0,1,0,0|2,1,0]=4 1004 B8R1.4 Cc1cnnc(O)c1 Amb32882487 [0,0,0,1,0,0|3,0,0]=4 1005 B8R1.4 Cc1cnnc(O)n1 Amb28315727 [0,0,0,1,0,0|3,0,0]=4 1006 B8R1.4 Cc1nccc(Br)n1 Amb10599356 [0,0,0,1,0,0|3,0,0]=4 1007 B8R1.4 Cc1nccc(Cl)n1 Amb19889582 [0,0,0,1,0,0|3,0,0]=4 1008 B8R1.4 Cc1nccc(Cl)n1 Amb31307748 [0,0,0,1,0,0|3,0,0]=4 1009 B8R1.4 Cc1nccc(Cl)n1 Amb33532358 [0,0,0,1,0,0|3,0,0]=4 1010 B8R1.4 Cc1nccc(I)n1 Amb33549147 [0,0,0,1,0,0|3,0,0]=4 1011 B8R1.4 Cc1nccc(N)n1 Amb19514680 [0,0,0,1,0,0|3,0,0]=4 1012 B8R1.4 Cc1nccc(N)n1 Amb4424874 [0,0,0,1,0,0|3,0,0]=4 1013 B8R1.4 Cc1nccc(O)n1 Amb34931051 [0,0,0,1,0,0|2,0,0]=3 1014 B8R1.4 Cc1nccc(O)n1 Amb5846634 [0,0,0,1,0,0|2,0,0]=3 1015 B8R1.4 Clc1cccc(Br)c1 Amb2684988 [0,0,0,1,0,0|3,0,0]=4 1016 B8R1.4 Clc1cccc(Br)n1 Amb8386470 [0,0,0,1,0,0|3,0,0]=4 1017 B8R1.4 Clc1cccc(Cl)c1 Amb8385421 [0,0,0,1,0,0|3,0,0]=4 1018 B8R1.4 Clc1cccc(Cl)n1 Amb2609916 [0,0,0,1,0,0|3,0,0]=4 1019 B8R1.4 Clc1cccc(I)c1 Amb2686129 [0,0,0,1,0,0|3,0,0]=4 1020 B8R1.4 Clc1cccc(I)n1 Amb6565077 [0,0,0,1,0,0|3,0,0]=4 1021 B8R1.4 Fc1cccc(Br)c1 Amb2685183 [0,0,0,1,0,0|3,0,0]=4 1022 B8R1.4 Fc1cccc(Br)n1 Amb2455909 [0,0,0,1,0,0|3,0,0]=4 1023 B8R1.4 Fc1cccc(Cl)c1 Amb2685937 [0,0,0,1,0,0|3,0,0]=4 1024 B8R1.4 Fc1cccc(Cl)n1 Amb8396767 [0,0,0,1,0,0|3,0,0]=4 1025 B8R1.4 Fc1cccc(F)c1 Amb2687052 [0,0,0,1,0,0|3,0,0]=4 1026 B8R1.4 Fc1cccc(F)n1 Amb2687277 [0,0,0,1,0,0|3,0,0]=4 1027 B8R1.4 Fc1cccc(I)c1 Amb2688122 [0,0,0,1,0,0|3,0,0]=4 1028 B8R1.4 Fc1cccc(I)n1 Amb24056006 [0,0,0,1,0,0|3,0,0]=4 1029 B8R1.4 Fc1cccc(S)c1 Amb2688424 [0,0,0,1,0,0|2,1,0]=4 1030 B8R1.4 Fc1cccc(S)n1 Amb25238819 [0,0,0,1,0,0|2,1,0]=4 1031 B8R1.4 Fc1cccc([Mg+])c1 Amb21618833 [0,0,0,1,0,0|3,0,0]=4 1032 B8R1.4 Ic1cccc(I)c1 Amb2687312 [0,0,0,1,0,0|3,0,0]=4 1033 B8R1.4 Ic1cccc(I)n1 Amb6565069 [0,0,0,1,0,0|3,0,0]=4 1034 B8R1.4 N=C1C=CNC(=O)N1 Amb22522784 [0,0,0,1,0,0|3,0,0]=4 1035 B8R1.4 NC1=CC(=O)NC=C1 Amb18641608 [0,0,0,1,0,0|3,0,0]=4 1036 B8R1.4 NC1=CC(=O)NC=C1 Amb33716235 [0,0,0,1,0,0|3,0,0]=4 1037 B8R1.4 NC1=CC=CC(=O)N1 Amb18641610 [0,0,0,1,0,0|2,0,0]=3 1038 B8R1.4 NC1=CC=CC(=S)N1 Amb23440527 [0,0,0,1,0,0|2,1,0]=4 1039 B8R1.4 NC1=CC=NC(=O)N1 Amb20239413 [0,0,0,1,0,0|3,0,0]=4 1040 B8R1.4 NC1=NC(=O)C=CN1 Amb21951843 [0,0,0,1,0,0|3,0,0]=4 1041 B8R1.4 NC1=NC(=O)NC=C1 Amb18511886 [0,0,0,1,0,0|3,0,0]=4 1042 B8R1.4 NC1=NC=CC(=O)N1 Amb18278001 [0,0,0,1,0,0|3,0,0]=4 1043 B8R1.4 Nc1cc(O)ccn1 Amb21864971 [0,0,0,1,0,0|3,0,0]=4 1044 B8R1.4 Nc1cc(O)ccn1 Amb2697549 [0,0,0,1,0,0|3,0,0]=4 1045 B8R1.4 Nc1cccc(Br)[nH+]1 Amb33513100 [0,0,0,1,0,0|3,0,0]=4 1046 B8R1.4 Nc1cccc(Br)c1 Amb2684945 [0,0,0,1,0,0|3,0,0]=4 1047 B8R1.4 Nc1cccc(Br)n1 Amb2609453 [0,0,0,1,0,0|3,0,0]=4 1048 B8R1.4 Nc1cccc(Cl)c1 Amb2792822 [0,0,0,1,0,0|3,0,0]=4 1049 B8R1.4 Nc1cccc(Cl)n1 Amb2609504 [0,0,0,1,0,0|3,0,0]=4 1050 B8R1.4 Nc1cccc(F)c1 Amb2389842 [0,0,0,1,0,0|3,0,0]=4 1051 B8R1.4 Nc1cccc(F)c1 Amb2688012 [0,0,0,1,0,0|3,0,0]=4 1052 B8R1.4 Nc1cccc(F)n1 Amb2691843 [0,0,0,1,0,0|3,0,0]=4 1053 B8R1.4 Nc1cccc(I)c1 Amb1159093 [0,0,0,1,0,0|3,0,0]=4 1054 B8R1.4 Nc1cccc(I)n1 Amb6565080 [0,0,0,1,0,0|3,0,0]=4 1055 B8R1.4 Nc1cccc(N)c1 Amb16233978 [0,0,0,1,0,0|3,0,0]=4 1056 B8R1.4 Nc1cccc(N)c1 Amb2725541 [0,0,0,1,0,0|3,0,0]=4 1057 B8R1.4 Nc1cccc(N)c1 Amb3940452 [0,0,0,1,0,0|3,0,0]=4 1058 B8R1.4 Nc1cccc(N)n1 Amb2611113 [0,0,0,1,0,0|3,0,0]=4 1059 B8R1.4 Nc1cccc(O)c1 Amb6447190 [0,0,0,1,0,0|2,0,0]=3 1060 B8R1.4 Nc1cccc(O)n1 Amb24081549 [0,0,0,1,0,0|2,0,0]=3 1061 B8R1.4 Nc1cccc(O)n1 Amb33544412 [0,0,0,1,0,0|2,0,0]=3 1062 B8R1.4 Nc1cccc(S)c1 Amb32652999 [0,0,0,1,0,0|2,1,0]=4 1063 B8R1.4 Nc1cccc(S)c1 Amb535732 [0,0,0,1,0,0|2,1,0]=4 1064 B8R1.4 Nc1cccn(=O)c1 Amb17749044 [0,0,0,1,0,0|3,0,0]=4 1065 B8R1.4 Nc1ccnc(O)c1 Amb2697410 [0,0,0,1,0,0|3,0,0]=4 1066 B8R1.4 Nc1cncc(O)c1 Amb17739826 [0,0,0,1,0,0|3,0,0]=4 1067 B8R1.4 Nc1cncc(O)c1 Amb2697550 [0,0,0,1,0,0|3,0,0]=4 1068 B8R1.4 Nc1cncc(O)n1 Amb10600359 [0,0,0,1,0,0|3,0,0]=4 1069 B8R1.4 Nc1nccc(O)n1 Amb8397233 [0,0,0,1,0,0|3,0,0]=4 1070 B8R1.4 O=C1C=C(Br)C=CN1 Amb22292027 [0,0,0,1,0,0|3,0,0]=4 1071 B8R1.4 O=C1C=C(Cl)C=CN1 Amb18625105 [0,0,0,1,0,0|3,0,0]=4 1072 B8R1.4 O=C1C=C(Cl)C=CO1 Amb22001907 [0,0,0,1,0,0|3,0,0]=4 1073 B8R1.4 O=C1C=C(F)C=CN1 Amb22008561 [0,0,0,1,0,0|3,0,0]=4 1074 B8R1.4 O=C1C=C(I)C=CN1 Amb19664790 [0,0,0,1,0,0|3,0,0]=4 1075 B8R1.4 O=C1C=C(O)C=CN1 Amb19958639 [0,0,0,1,0,0|3,0,0]=4 1076 B8R1.4 O=C1C=C=CC(=O)C1 Amb27486115 [0,0,0,1,0,0|2,0,1]=4 1077 B8R1.4 O=C1C=CC=C(Br)N1 Amb18040563 [0,0,0,1,0,0|2,0,0]=3 1078 B8R1.4 O=C1C=CC=C(Cl)N1 Amb20623033 [0,0,0,1,0,0|2,0,0]=3 1079 B8R1.4 O=C1C=CC=C(Cl)O1 Amb22337145 [0,0,0,1,0,0|1,0,0]=2 1080 B8R1.4 O=C1C=CC=C(I)N1 Amb24651389 [0,0,0,1,0,0|2,0,0]=3 1081 B8R1.4 O=C1C=CC=C(O)N1 Amb22347822 [0,0,0,1,0,0|2,0,0]=3 1082 B8R1.4 O=C1C=CC=[N+]([O-])N1 Amb27985357 [0,0,0,1,0,0|3,0,0]=4 1083 B8R1.4 O=C1C=CCC(=O)O1 Amb453190 [0,0,0,1,0,0|1,0,1]=3 1084 B8R1.4 O=C1C=CNC(=O)N1 Amb18028577 [0,0,0,1,0,0|3,0,0]=4 1085 B8R1.4 O=C1C=CNC(=O)O1 Amb21937546 [0,0,0,1,0,0|2,0,0]=3 1086 B8R1.4 O=C1C=CNC(=S)C1 Amb27207898 [0,0,0,1,0,0|3,0,0]=4 1087 B8R1.4 O=C1C=CNC(=S)N1 Amb18028423 [0,0,0,1,0,0|3,0,0]=4 1088 B8R1.4 O=C1C=CNC(Cl)=C1 Amb22489481 [0,0,0,1,0,0|3,0,0]=4 1089 B8R1.4 O=C1C=COC(=O)C1 Amb25358147 [0,0,0,1,0,0|3,0,0]=4 1090 B8R1.4 O=C1C=COC(O)=C1 Amb28456629 [0,0,0,1,0,0|3,0,0]=4 1091 B8R1.4 O=C1C=NC=C(Br)N1 Amb22499624 [0,0,0,1,0,0|3,0,0]=4 1092 B8R1.4 O=C1C=NC=C(Cl)N1 Amb20527586 [0,0,0,1,0,0|3,0,0]=4 1093 B8R1.4 O=C1C=NC=C(F)N1 Amb22387081 [0,0,0,1,0,0|3,0,0]=4 1094 B8R1.4 O=C1CC=CC(Cl)=N1 Amb2609501 [0,0,0,1,0,0|2,0,1]=4 1095 B8R1.4 O=C1N=C(Cl)C=CN1 Amb22001986 [0,0,0,1,0,0|3,0,0]=4 1096 B8R1.4 O=C1NC=CC(=S)N1 Amb21964570 [0,0,0,1,0,0|3,0,0]=4 1097 B8R1.4 O=n1cccc(F)c1 Amb20621374 [0,0,0,1,0,0|3,0,0]=4 1098 B8R1.4 O=n1cccc(O)c1 Amb20621449 [0,0,0,1,0,0|3,0,0]=4 1099 B8R1.4 OC1=NC(=S)NC=C1 Amb19748546 [0,0,0,1,0,0|3,0,0]=4 1100 B8R1.4 ON1=CC(Cl)=CC=C1 Amb17772574 [0,0,0,1,0,0|3,0,0]=4 1101 B8R1.4 Oc1cc(Br)ccn1 Amb2609499 [0,0,0,1,0,0|3,0,0]=4 1102 B8R1.4 Oc1cc(Cl)ccn1 Amb2686116 [0,0,0,1,0,0|3,0,0]=4 1103 B8R1.4 Oc1cc(S)ccn1 Amb24695775 [0,0,0,1,0,0|3,0,0]=4 1104 B8R1.4 Oc1cccc(Br)c1 Amb2685386 [0,0,0,1,0,0|2,0,0]=3 1105 B8R1.4 Oc1cccc(Br)n1 Amb2613094 [0,0,0,1,0,0|2,0,0]=3 1106 B8R1.4 Oc1cccc(Cl)c1 Amb3939547 [0,0,0,1,0,0|2,0,0]=3 1107 B8R1.4 Oc1cccc(F)c1 Amb2688291 [0,0,0,1,0,0|2,0,0]=3 1108 B8R1.4 Oc1cccc(F)n1 Amb10603071 [0,0,0,1,0,0|2,0,0]=3 1109 B8R1.4 Oc1cccc(I)c1 Amb1159079 [0,0,0,1,0,0|2,0,0]=3 1110 B8R1.4 Oc1cccc(O)c1 Amb2793030 [0,0,0,1,0,0|2,0,0]=3 1111 B8R1.4 Oc1cccc(O)n1 Amb2696834 [0,0,0,1,0,0|2,0,0]=3 1112 B8R1.4 Oc1cccc(O)n1 Amb4034458 [0,0,0,1,0,0|2,0,0]=3 1113 B8R1.4 Oc1cccc(S)c1 Amb8383400 [0,0,0,1,0,0|2,0,0]=3 1114 B8R1.4 Oc1cccc(S)n1 Amb24470326 [0,0,0,1,0,0|2,0,0]=3 1115 B8R1.4 Oc1ccnc(Br)c1 Amb8386887 [0,0,0,1,0,0|3,0,0]=4 1116 B8R1.4 Oc1ccnc(Br)n1 Amb20617245 [0,0,0,1,0,0|3,0,0]=4 1117 B8R1.4 Oc1ccnc(Cl)c1 Amb2610061 [0,0,0,1,0,0|3,0,0]=4 1118 B8R1.4 Oc1ccnc(Cl)n1 Amb20241261 [0,0,0,1,0,0|3,0,0]=4 1119 B8R1.4 Oc1ccnc(F)c1 Amb10603604 [0,0,0,1,0,0|3,0,0]=4 1120 B8R1.4 Oc1ccnc(F)n1 Amb24695651 [0,0,0,1,0,0|3,0,0]=4 1121 B8R1.4 Oc1ccnc(I)c1 Amb27482579 [0,0,0,1,0,0|3,0,0]=4 1122 B8R1.4 Oc1ccnc(O)c1 Amb2609927 [0,0,0,1,0,0|3,0,0]=4 1123 B8R1.4 Oc1ccnc(O)c1 Amb33719306 [0,0,0,1,0,0|3,0,0]=4 1124 B8R1.4 Oc1ccnc(S)c1 Amb26929419 [0,0,0,1,0,0|3,0,0]=4 1125 B8R1.4 Oc1ccnc(S)n1 Amb753232 [0,0,0,1,0,0|3,0,0]=4 1126 B8R1.4 Oc1cncc(Br)c1 Amb2447638 [0,0,0,1,0,0|3,0,0]=4 1127 B8R1.4 Oc1cncc(Br)n1 Amb10600358 [0,0,0,1,0,0|3,0,0]=4 1128 B8R1.4 Oc1cncc(Cl)c1 Amb2725476 [0,0,0,1,0,0|3,0,0]=4 1129 B8R1.4 Oc1cncc(Cl)n1 Amb8855268 [0,0,0,1,0,0|3,0,0]=4 1130 B8R1.4 Oc1cncc(F)c1 Amb10576207 [0,0,0,1,0,0|3,0,0]=4 1131 B8R1.4 Oc1cncc(I)c1 Amb8426264 [0,0,0,1,0,0|3,0,0]=4 1132 B8R1.4 Oc1cncc(I)n1 Amb22388360 [0,0,0,1,0,0|3,0,0]=4 1133 B8R1.4 Oc1cncc(O)c1 Amb10602196 [0,0,0,1,0,0|3,0,0]=4 1134 B8R1.4 Oc1cncc(O)n1 Amb10600360 [0,0,0,1,0,0|3,0,0]=4 1135 B8R1.4 Oc1nccc(Br)n1 Amb10599404 [0,0,0,1,0,0|3,0,0]=4 1136 B8R1.4 Oc1nccc(F)n1 Amb25312300 [0,0,0,1,0,0|3,0,0]=4 1137 B8R1.4 Oc1nccc(I)n1 Amb26939094 [0,0,0,1,0,0|3,0,0]=4 1138 B8R1.4 Oc1nccc(S)n1 Amb3997279 [0,0,0,1,0,0|3,0,0]=4 1139 B8R1.4 S=C1C=CC=C(Br)N1 Amb24470776 [0,0,0,1,0,0|2,1,0]=4 1140 B8R1.4 S=C1C=CC=C(Cl)N1 Amb26006996 [0,0,0,1,0,0|2,1,0]=4 1141 B8R1.4 Sc1cccc(Br)c1 Amb2372548 [0,0,0,1,0,0|2,1,0]=4 1142 B8R1.4 Sc1cccc(Cl)c1 Amb2686487 [0,0,0,1,0,0|2,1,0]=4 1143 B8R1.4 Sc1cccc(I)c1 Amb24483276 [0,0,0,1,0,0|2,1,0]=4 1144 B8R1.4 Sc1cccc(S)c1 Amb9820126 [0,0,0,1,0,0|2,1,0]=4 1145 B8R1.4 [Mg+]c1cccc(Cl)c1 Amb22044012 [0,0,0,1,0,0|3,0,0]=4 1146 B8R1.4 [O-][n+]1cccc(O)c1 Amb2609929 [0,0,0,1,0,0|3,0,0]=4 1147 B8R1.4 [SiH3]c1cccc([SiH3])n1 Amb27453611 [0,0,0,1,0,0|2,1,0]=4 1148 B8R1.7 C=C(Br)c1ccco1 Amb28075689 [0,0,0,1,0,0|3,0,0]=4 1149 B8R1.7 C=C(C)c1ccco1 Amb24532306 [0,0,0,1,0,0|3,0,0]=4 1150 B8R1.7 C=C(C)c1cccs1 Amb28141914 [0,0,0,1,0,0|3,0,0]=4 1151 B8R1.7 CC(=O)C1=CCCC1 Amb22338190 [0,0,0,1,0,0|1,0,2]=4 1152 B8R1.7 CC(=O)C1=CNCC1 Amb27455189 [0,0,0,1,0,0|2,0,1]=4 1153 B8R1.7 CC(=O)C1=C[CH-]C=C1 Amb2227554 [0,0,0,1,0,0|1,0,2]=4 1154 B8R1.7 CC(=O)C1CC=CN1 Amb26979687 [0,0,0,1,0,0|2,0,1]=4 1155 B8R1.7 CC(=O)[c-]1cccc1 Amb34916050 [0,0,0,1,0,0|1,0,2]=4 1156 B8R1.7 CC(=O)c1cc[se]c1 Amb2611517 [0,0,0,1,0,0|2,0,1]=4 1157 B8R1.7 CC(=O)c1ccc[se]1 Amb17673999 [0,0,0,1,0,0|2,0,0]=3 1158 B8R1.7 CC(=O)c1ccco1 Amb2782007 [0,0,0,1,0,0|2,0,0]=3 1159 B8R1.7 CC(=O)c1cccs1 Amb2684284 [0,0,0,1,0,0|2,0,0]=3 1160 B8R1.7 CC(=O)c1ccno1 Amb20242198 [0,0,0,1,0,0|3,0,0]=4 1161 B8R1.7 CC(=O)c1ccns1 Amb13883508 [0,0,0,1,0,0|3,0,0]=4 1162 B8R1.7 CC(=O)c1ccoc1 Amb2440799 [0,0,0,1,0,0|2,0,1]=4 1163 B8R1.7 CC(=O)c1ccon1 Amb20242197 [0,0,0,1,0,0|3,0,0]=4 1164 B8R1.7 CC(=O)c1ccsc1 Amb535812 [0,0,0,1,0,0|2,0,1]=4 1165 B8R1.7 CC(=O)c1ccsn1 Amb25044341 [0,0,0,1,0,0|3,0,0]=4 1166 B8R1.7 CC(=O)c1cnco1 Amb24737064 [0,0,0,1,0,0|3,0,0]=4 1167 B8R1.7 CC(=O)c1cncs1 Amb33531201 [0,0,0,1,0,0|3,0,0]=4 1168 B8R1.7 CC(=O)c1cocn1 Amb18833111 [0,0,0,1,0,0|3,0,0]=4 1169 B8R1.7 CC(=O)c1cscn1 Amb33543399 [0,0,0,1,0,0|3,0,0]=4 1170 B8R1.7 CC(=O)c1ncco1 Amb19958429 [0,0,0,1,0,0|3,0,0]=4 1171 B8R1.7 CC(=O)c1nccs1 Amb2684283 [0,0,0,1,0,0|3,0,0]=4 1172 B8R1.7 CC(=O)n1cccn1 Amb3372586 [0,0,0,1,0,0|3,0,0]=4 1173 B8R1.7 CC(C)=C1C=CC=C1 Amb2720978 [0,0,0,1,0,0|2,0,1]=4 1174 B8R1.7 CC(C)=C1C=CSC1 Amb28188823 [0,0,0,1,0,0|3,0,0]=4 1175 B8R1.7 CC(C)C1=CC=CC1 Amb22227970 [0,0,0,1,0,0|2,0,1]=4 1176 B8R1.7 CC(N)=C1C=CC=C1 Amb27245689 [0,0,0,1,0,0|2,0,1]=4 1177 B8R1.7 CC(O)c1ccco1 Amb2725588 [0,0,0,1,0,0|2,0,1]=4 1178 B8R1.7 CC(O)c1cccs1 Amb5722410 [0,0,0,1,0,0|2,0,1]=4 1179 B8R1.7 C[C@@H](O)C1=CC=CC1 Amb27763807 [0,0,0,1,0,0|1,0,1]=3 1180 B8R1.7 C[C@@H](O)c1ccco1 Amb8515979 [0,0,0,1,0,0|2,0,1]=4 1181 B8R1.7 C[C@H](O)C1=CC=CC1 Amb28079112 [0,0,0,1,0,0|1,0,1]=3 1182 B8R1.7 C[C@H](O)c1ccco1 Amb8515981 [0,0,0,1,0,0|2,0,1]=4 1183 B8R1.7 C[C@H](O)c1cccs1 Amb13952996 [0,0,0,1,0,0|2,0,1]=4 1184 B8R1.7 N=C(N)c1ccco1 Amb13952844 [0,0,0,1,0,0|3,0,0]=4 1185 B8R1.7 N=C(N)c1ccco1 Amb2695169 [0,0,0,1,0,0|3,0,0]=4 1186 B8R1.7 N=C(N)c1ccco1 Amb9210508 [0,0,0,1,0,0|3,0,0]=4 1187 B8R1.7 N=C(N)c1cccs1 Amb2684312 [0,0,0,1,0,0|3,0,0]=4 1188 B8R1.7 N=C(O)c1cocn1 Amb21928044 [0,0,0,1,0,0|3,0,0]=4 1189 B8R1.7 NC(=O)C1=CCCC1 Amb20622488 [0,0,0,1,0,0|1,0,2]=4 1190 B8R1.7 NC(=O)C1=COCC1 Amb27837543 [0,0,0,1,0,0|2,0,1]=4 1191 B8R1.7 NC(=O)C1C=CCC1 Amb25063981 [0,0,0,1,0,0|1,0,2]=4 1192 B8R1.7 NC(=O)C1CC=CC1 Amb10068010 [0,0,0,1,0,0|1,0,2]=4 1193 B8R1.7 NC(=O)N1C=CCC1 Amb27216170 [0,0,0,1,0,0|2,0,1]=4 1194 B8R1.7 NC(=O)N1CC=CC1 Amb27837546 [0,0,0,1,0,0|2,0,1]=4 1195 B8R1.7 NC(=O)c1ccco1 Amb6373632 [0,0,0,1,0,0|2,0,0]=3 1196 B8R1.7 NC(=O)c1cccs1 Amb2722696 [0,0,0,1,0,0|2,0,0]=3 1197 B8R1.7 NC(=O)c1ccno1 Amb4477414 [0,0,0,1,0,0|3,0,0]=4 1198 B8R1.7 NC(=O)c1ccns1 Amb24409499 [0,0,0,1,0,0|3,0,0]=4 1199 B8R1.7 NC(=O)c1ccoc1 Amb8998597 [0,0,0,1,0,0|2,0,1]=4 1200 B8R1.7 NC(=O)c1ccon1 Amb20630182 [0,0,0,1,0,0|3,0,0]=4 1201 B8R1.7 NC(=O)c1ccsc1 Amb8998201 [0,0,0,1,0,0|2,0,1]=4 1202 B8R1.7 NC(=O)c1ccsn1 Amb25224962 [0,0,0,1,0,0|3,0,0]=4 1203 B8R1.7 NC(=O)c1cnco1 Amb22000976 [0,0,0,1,0,0|3,0,0]=4 1204 B8R1.7 NC(=O)c1cncs1 Amb19514920 [0,0,0,1,0,0|3,0,0]=4 1205 B8R1.7 NC(=O)c1cocn1 Amb21857139 [0,0,0,1,0,0|3,0,0]=4 1206 B8R1.7 NC(=O)c1cscn1 Amb8631050 [0,0,0,1,0,0|3,0,0]=4 1207 B8R1.7 NC(=O)c1ncco1 Amb21963562 [0,0,0,1,0,0|3,0,0]=4 1208 B8R1.7 NC(=O)c1nccs1 Amb5494087 [0,0,0,1,0,0|3,0,0]=4 1209 B8R1.7 NC(=O)n1cccc1 Amb17938700 [0,0,0,1,0,0|2,0,1]=4 1210 B8R1.7 NC(=S)c1ccco1 Amb2099744 [0,0,0,1,0,0|2,1,0]=4 1211 B8R1.7 NC(=S)c1cccs1 Amb1152349 [0,0,0,1,0,0|2,1,0]=4 1212 B8R1.7 NC(N)=C1C=CC=N1 Amb25711339 [0,0,0,1,0,0|3,0,0]=4 1213 B8R1.7 NC(O)c1cccs1 Amb27186320 [0,0,0,1,0,0|2,0,1]=4 1214 B8R1.7 O=C(Br)c1cccs1 Amb27239935 [0,0,0,1,0,0|2,0,0]=3 1215 B8R1.7 O=C(Cl)C1=CCCC1 Amb25870845 [0,0,0,1,0,0|1,0,2]=4 1216 B8R1.7 O=C(Cl)C1CC=CC1 Amb24371090 [0,0,0,1,0,0|1,0,2]=4 1217 B8R1.7 O=C(Cl)c1ccco1 Amb2716231 [0,0,0,1,0,0|2,0,0]=3 1218 B8R1.7 O=C(Cl)c1cccs1 Amb1157175 [0,0,0,1,0,0|2,0,0]=3 1219 B8R1.7 O=C(Cl)c1ccno1 Amb2689052 [0,0,0,1,0,0|3,0,0]=4 1220 B8R1.7 O=C(Cl)c1ccns1 Amb26413872 [0,0,0,1,0,0|3,0,0]=4 1221 B8R1.7 O=C(Cl)c1ccoc1 Amb33528390 [0,0,0,1,0,0|2,0,1]=4 1222 B8R1.7 O=C(Cl)c1ccsc1 Amb33527269 [0,0,0,1,0,0|2,0,1]=4 1223 B8R1.7 O=C(Cl)c1cnco1 Amb26915176 [0,0,0,1,0,0|3,0,0]=4 1224 B8R1.7 O=C(Cl)c1cncs1 Amb33329448 [0,0,0,1,0,0|3,0,0]=4 1225 B8R1.7 O=C(Cl)c1cocn1 Amb23440854 [0,0,0,1,0,0|3,0,0]=4 1226 B8R1.7 O=C(Cl)c1cscn1 Amb8631052 [0,0,0,1,0,0|3,0,0]=4 1227 B8R1.7 O=C(Cl)c1nccs1 Amb2723139 [0,0,0,1,0,0|3,0,0]=4 1228 B8R1.7 O=C(Cl)n1cccn1 Amb22886609 [0,0,0,1,0,0|3,0,0]=4 1229 B8R1.7 O=C(O)C1=CCCC1 Amb3940288 [0,0,0,1,0,0|0,0,2]=3 1230 B8R1.7 O=C(O)C1=CCCN1 Amb17593173 [0,0,0,1,0,0|1,0,2]=4 1231 B8R1.7 O=C(O)C1=CCCO1 Amb19148920 [0,0,0,1,0,0|1,0,2]=4 1232 B8R1.7 O=C(O)C1=CCCS1 Amb18642795 [0,0,0,1,0,0|1,0,2]=4 1233 B8R1.7 O=C(O)C1=CCNC1 Amb26017269 [0,0,0,1,0,0|1,0,1]=3 1234 B8R1.7 O=C(O)C1=CCOC1 Amb24434391 [0,0,0,1,0,0|1,0,1]=3 1235 B8R1.7 O=C(O)C1=CCSC1 Amb18642797 [0,0,0,1,0,0|1,0,1]=3 1236 B8R1.7 O=C(O)C1=CN=S=N1 Amb17798585 [0,0,0,1,0,0|3,0,0]=4 1237 B8R1.7 O=C(O)C1=COCC1 Amb18124248 [0,0,0,1,0,0|1,0,1]=3 1238 B8R1.7 O=C(O)C1=CSCS1 Amb25330178 [0,0,0,1,0,0|2,0,1]=4 1239 B8R1.7 O=C(O)C1=NOCC1 Amb24353499 [0,0,0,1,0,0|2,0,1]=4 1240 B8R1.7 O=C(O)C1C=CCC1 Amb18641680 [0,0,0,1,0,0|0,0,2]=3 1241 B8R1.7 O=C(O)C1C=CCN1 Amb22899488 [0,0,0,1,0,0|1,0,2]=4 1242 B8R1.7 O=C(O)C1C=CCN1 Amb9804432 [0,0,0,1,0,0|1,0,2]=4 1243 B8R1.7 O=C(O)C1C=CCO1 Amb18641762 [0,0,0,1,0,0|1,0,2]=4 1244 B8R1.7 O=C(O)C1CC=CC1 Amb2694750 [0,0,0,1,0,0|0,0,2]=3 1245 B8R1.7 O=C(O)C1CC=NN1 Amb18641765 [0,0,0,1,0,0|2,0,1]=4 1246 B8R1.7 O=C(O)C1CC=NO1 Amb27216537 [0,0,0,1,0,0|2,0,1]=4 1247 B8R1.7 O=C(O)C1CCC=N1 Amb27849168 [0,0,0,1,0,0|1,0,2]=4 1248 B8R1.7 O=C(O)C1COC=N1 Amb28291372 [0,0,0,1,0,0|2,0,1]=4 1249 B8R1.7 O=C(O)C1OC=CS1 Amb27489874 [0,0,0,1,0,0|2,0,1]=4 1250 B8R1.7 O=C(O)[C@@H]1C=CCN1 Amb16183937 [0,0,0,1,0,0|1,0,2]=4 1251 B8R1.7 O=C(O)[C@@H]1C=CCN1 Amb22750611 [0,0,0,1,0,0|1,0,2]=4 1252 B8R1.7 O=C(O)[C@@H]1CSC=N1 Amb35648199 [0,0,0,1,0,0|2,0,1]=4 1253 B8R1.7 O=C(O)[C@H]1C=CCC1 Amb27872028 [0,0,0,1,0,0|0,0,2]=3 1254 B8R1.7 O=C(O)[C@H]1C=CCN1 Amb34158387 [0,0,0,1,0,0|1,0,2]=4 1255 B8R1.7 O=C(O)[C@H]1CCC=N1 Amb28128325 [0,0,0,1,0,0|1,0,2]=4 1256 B8R1.7 O=C(O)[C@H]1CSC=N1 Amb35641724 [0,0,0,1,0,0|2,0,1]=4 1257 B8R1.7 O=C(O)[c-]1cccc1 Amb33801890 [0,0,0,1,0,0|0,0,2]=3 1258 B8R1.7 O=C(O)[c-]1cccc1 Amb34916034 [0,0,0,1,0,0|0,0,2]=3 1259 B8R1.7 O=C(O)c1ccc[se]1 Amb2611630 [0,0,0,1,0,0|1,0,0]=2 1260 B8R1.7 O=C(O)c1ccco1 Amb6335264 [0,0,0,1,0,0|1,0,0]=2 1261 B8R1.7 O=C(O)c1cccs1 Amb2690602 [0,0,0,1,0,0|1,0,0]=2 1262 B8R1.7 O=C(O)c1ccno1 Amb1152220 [0,0,0,1,0,0|2,0,0]=3 1263 B8R1.7 O=C(O)c1ccns1 Amb1091955 [0,0,0,1,0,0|2,0,0]=3 1264 B8R1.7 O=C(O)c1ccoc1 Amb2720344 [0,0,0,1,0,0|1,0,1]=3 1265 B8R1.7 O=C(O)c1ccon1 Amb8386353 [0,0,0,1,0,0|2,0,0]=3 1266 B8R1.7 O=C(O)c1ccsc1 Amb1156673 [0,0,0,1,0,0|1,0,1]=3 1267 B8R1.7 O=C(O)c1ccsn1 Amb19894963 [0,0,0,1,0,0|2,0,0]=3 1268 B8R1.7 O=C(O)c1cnco1 Amb1158212 [0,0,0,1,0,0|2,0,0]=3 1269 B8R1.7 O=C(O)c1cncs1 Amb1158214 [0,0,0,1,0,0|2,0,0]=3 1270 B8R1.7 O=C(O)c1cnns1 Amb3319162 [0,0,0,1,0,0|3,0,0]=4 1271 B8R1.7 O=C(O)c1cnoc1 Amb8878121 [0,0,0,1,0,0|2,0,1]=4 1272 B8R1.7 O=C(O)c1cnon1 Amb6316077 [0,0,0,1,0,0|3,0,0]=4 1273 B8R1.7 O=C(O)c1cnsc1 Amb2785373 [0,0,0,1,0,0|2,0,1]=4 1274 B8R1.7 O=C(O)c1cnsn1 Amb1091970 [0,0,0,1,0,0|3,0,0]=4 1275 B8R1.7 O=C(O)c1cocn1 Amb10071584 [0,0,0,1,0,0|2,0,0]=3 1276 B8R1.7 O=C(O)c1conn1 Amb28286788 [0,0,0,1,0,0|3,0,0]=4 1277 B8R1.7 O=C(O)c1cscn1 Amb17039667 [0,0,0,1,0,0|2,0,0]=3 1278 B8R1.7 O=C(O)c1cscn1 Amb2455731 [0,0,0,1,0,0|2,0,0]=3 1279 B8R1.7 O=C(O)c1csnn1 Amb535501 [0,0,0,1,0,0|3,0,0]=4 1280 B8R1.7 O=C(O)c1ncco1 Amb8009395 [0,0,0,1,0,0|2,0,0]=3 1281 B8R1.7 O=C(O)c1nccs1 Amb6572012 [0,0,0,1,0,0|2,0,0]=3 1282 B8R1.7 O=C(O)c1ncno1 Amb8009397 [0,0,0,1,0,0|3,0,0]=4 1283 B8R1.7 O=C(O)c1ncns1 Amb18203206 [0,0,0,1,0,0|3,0,0]=4 1284 B8R1.7 O=C(O)c1ncon1 Amb8009396 [0,0,0,1,0,0|3,0,0]=4 1285 B8R1.7 O=C(O)c1nnco1 Amb21964326 [0,0,0,1,0,0|3,0,0]=4 1286 B8R1.7 O=C(O)c1nncs1 Amb20241053 [0,0,0,1,0,0|3,0,0]=4 1287 B8R1.7 O=C(O)n1cccc1 Amb17938698 [0,0,0,1,0,0|1,0,1]=3 1288 B8R1.7 O=C([O-])c1cccs1 Amb10067272 [0,0,0,1,0,0|1,0,1]=3 1289 B8R1.7 O=C([O-])c1cncs1 Amb13951709 [0,0,0,1,0,0|2,0,1]=4 1290 B8R1.7 O=C([O-])c1cscn1 Amb13951445 [0,0,0,1,0,0|2,0,1]=4 1291 B8R1.7 O=C([O-])c1ncco1 Amb33547593 [0,0,0,1,0,0|2,0,1]=4 1292 B8R1.7 O=C([O-])c1ncco1 Amb33733801 [0,0,0,1,0,0|2,0,1]=4 1293 B8R1.7 O=C([O-])c1nccs1 Amb1102733 [0,0,0,1,0,0|2,0,1]=4 1294 B8R1.7 O=C([O-])c1nccs1 Amb6540690 [0,0,0,1,0,0|2,0,1]=4 1295 B8R1.7 O=N(=O)c1cccs1 Amb20621934 [0,0,0,1,0,0|2,0,1]=4 1296 B8R1.7 O=S(Cl)c1cccs1 Amb18563780 [0,0,0,1,0,0|3,0,0]=4 1297 B8R1.7 O=S(O)c1cccs1 Amb18063457 [0,0,0,1,0,0|2,0,0]=3 1298 B8R1.7 O=S([O-])c1ccco1 Amb32754730 [0,0,0,1,0,0|2,0,1]=4 1299 B8R1.7 O=S([O-])c1cccs1 Amb19944454 [0,0,0,1,0,0|2,0,1]=4 1300 B8R1.7 O=[N+]([O-])c1ccco1 Amb10573954 [0,0,0,1,0,0|2,0,1]=4 1301 B8R1.7 O=[N+]([O-])c1cccs1 Amb1208024 [0,0,0,1,0,0|2,0,1]=4 1302 B8R1.7 OB(O)c1ccc[se]1 Amb10070609 [0,0,0,1,0,0|2,0,1]=4 1303 B8R1.7 OB(O)c1ccco1 Amb2235054 [0,0,0,1,0,0|2,0,1]=4 1304 B8R1.7 OB(O)c1cccs1 Amb2720322 [0,0,0,1,0,0|2,0,1]=4 1305 B8R1.20 CC1C\C1=C/C(=O)O Amb25256441 [0,0,0,1,0,0|0,0,2]=3 1306 B8R1.22 BrC1C=CC=CCC1 Amb27629198 [0,0,0,1,0,0|2,0,1]=4 1307 B8R1.22 NC1=NNC=CC=C1 Amb27469656 [0,0,0,1,0,0|3,0,0]=4 1308 B8R1.22 O=C1C=CC=CC=C1 Amb19883798 [0,0,0,1,0,0|1,0,1]=3 1309 B8R1.22 O=C1C=CC=CCC1 Amb17593120 [0,0,0,1,0,0|1,0,0]=2 1310 B8R1.22 O=C1C=CC=NC=C1 Amb27599481 [0,0,0,1,0,0|2,0,1]=4 1311 B8R1.22 O=C1C=CCC=CC1 Amb28316220 [0,0,0,1,0,0|1,0,2]=4 1312 B8R1.22 O=C1C=CCCCC1 Amb10601704 [0,0,0,1,0,0|1,0,2]=4 1313 B8R1.22 O=C1C=CCCCN1 Amb22500450 [0,0,0,1,0,0|1,0,2]=4 1314 B8R1.22 O=C1C=CNCCS1 Amb27655609 [0,0,0,1,0,0|1,1,1]=4 1315 B8R1.22 O=C1C=CSCCN1 Amb27202061 [0,0,0,1,0,0|2,0,1]=4 1316 B8R1.22 O=C1CC=CCCC1 Amb24450177 [0,0,0,1,0,0|1,0,2]=4 1317 B8R1.22 O=C1CC=CCCN1 Amb27830230 [0,0,0,1,0,0|1,0,2]=4 1318 B8R1.22 O=C1CC=COCC1 Amb27835241 [0,0,0,1,0,0|2,0,1]=4 1319 B8R1.22 O=C1CCC=CCC1 Amb22230447 [0,0,0,1,0,0|1,0,2]=4 1320 B8R1.22 O=C1CCC=COC1 Amb27812549 [0,0,0,1,0,0|2,0,1]=4 1321 B8R1.22 O=S1OCC=CCO1 Amb25190031 [0,0,0,1,0,0|2,0,1]=4 1322 B8R1.22 OC1C=CC=CCC1 Amb27766443 [0,0,0,1,0,0|1,0,1]=3 1323 B8R1.31 CC(=O)C1=C(C)CC1 Amb28316170 [0,0,0,1,0,0|1,0,2]=4 1324 B8R1.31 O=C(O)C1=C(Br)CC1 Amb28454412 [0,0,0,1,0,0|1,0,2]=4 1325 B8R1.31 O=C(O)C1=C(Cl)CC1 Amb33609521 [0,0,0,1,0,0|1,0,2]=4 1326 B8R1.31 O=C(O)C1C=CC1Br Amb27220099 [0,0,0,1,0,0|1,0,2]=4 1327 B8R1.31 O=C(O)C1C=CC1O Amb27475863 [0,0,0,1,0,0|1,0,2]=4 1328 B8R1.34 CC(=O)C=C1CNC1 Amb34161721 [0,0,0,1,0,0|2,0,1]=4 1329 B8R1.34 CC(=O)C=C1COC1 Amb20671341 [0,0,0,1,0,0|2,0,1]=4 1330 B8R1.34 O=C(O)C=C1CCC1 Amb20667794 [0,0,0,1,0,0|0,0,2]=3 1331 B8R1.34 O=C(O)C=C1CNC1 Amb27255049 [0,0,0,1,0,0|1,0,1]=3 1332 B8R1.34 O=C(O)C=C1CNC1 Amb34150330 [0,0,0,1,0,0|1,0,1]=3 1333 B8R1.34 O=C(O)C=C1COC1 Amb26866250 [0,0,0,1,0,0|1,0,1]=3 1334 B8R1.34 O=C(O)C=C1CSC1 Amb24379733 [0,0,0,1,0,0|1,0,1]=3 1335 B8R1.35 CC(=O)\C=C\C1CC1 Amb32955627 [0,0,0,1,0,0|1,0,2]=4 1336 B8R1.35 NC(=O)\C=C/C1CC1 Amb27422387 [0,0,0,1,0,0|1,0,2]=4 1337 B8R1.35 O=C(O)CCC1=CC1 Amb28364765 [0,0,0,1,0,0|0,0,2]=3 1338 B8R1.35 O=C(O)\C=C/C1CC1 Amb28247513 [0,0,0,1,0,0|0,0,2]=3 1339 B8R1.35 O=C(O)\C=C\C1CC1 Amb18285135 [0,0,0,1,0,0|0,0,2]=3 1340 B8R1.35 O=C(O)\C=C\C1CC1 Amb33714766 [0,0,0,1,0,0|0,0,2]=3 1341 B8R1.35 O=C(O)\C=C\C1CO1 Amb24548089 [0,0,0,1,0,0|1,0,1]=3 1342 B8R1.36 C\C=C\C=C\C1CO1 Amb27654185 [0,0,0,1,0,0|1,0,1]=3 1343 B5R0.1 C=C=CC(N)=O Amb28049015 [2,0,0,0,0,0|1,0,1]=4 1344 B5R0.1 C=CC=C(C)C Amb22229813 [2,0,0,0,0,0|2,0,0]=4 1345 B5R0.1 C=CCC(=O)Cl Amb33543701 [2,0,0,0,0,0|1,0,1]=4 1346 B5R0.1 C=CCC(=O)O Amb3940098 [2,0,0,0,0,0|0,0,1]=3 1347 B5R0.1 C=CCC(C)=O Amb8396482 [2,0,0,0,0,0|1,0,1]=4 1348 B5R0.1 C=CCC(N)=O Amb17610156 [2,0,0,0,0,0|1,0,1]=4 1349 B5R0.1 C=CCS(=O)O Amb33534190 [2,0,0,0,0,0|1,0,1]=4 1350 B5R0.1 C=CC[PH](=O)O Amb8391287 [2,0,0,0,0,0|1,0,1]=4 1351 B5R0.1 C=CNC(C)=O Amb24323579 [2,0,0,0,0,0|2,0,0]=4 1352 B5R0.1 C=CNC(N)=O Amb25082241 [2,0,0,0,0,0|2,0,0]=4 1353 B5R0.1 C=COC(=O)Cl Amb8514993 [2,0,0,0,0,0|2,0,0]=4 1354 B5R0.1 C=COC(C)=O Amb8513382 [2,0,0,0,0,0|2,0,0]=4 1355 B5R0.1 CC#CC(=O)O Amb2685714 [2,0,0,0,0,0|0,0,2]=4 1356 B5R0.1 CC(=O)\C=C/N Amb25147403 [2,0,0,0,0,0|2,0,0]=4 1357 B5R0.1 CC(=O)\C=C/[O-] Amb30876865 [2,0,0,0,0,0|2,0,0]=4 1358 B5R0.1 CC(=O)\C=C\Cl Amb17593099 [2,0,0,0,0,0|2,0,0]=4 1359 B5R0.1 CC(=O)\C=C\N Amb8395283 [2,0,0,0,0,0|2,0,0]=4 1360 B5R0.1 CC(=O)\C=C\[O-] Amb32644521 [2,0,0,0,0,0|2,0,0]=4 1361 B5R0.1 CCCC(=O)O Amb3939012 [2,0,0,0,0,0|0,0,2]=4 1362 B5R0.1 CCOC(=O)O Amb8393208 [2,0,0,0,0,0|1,0,1]=4 1363 B5R0.1 CNCC(=O)O Amb6298808 [2,0,0,0,0,0|1,0,1]=4 1364 B5R0.1 CNCC(=O)O Amb6599996 [2,0,0,0,0,0|1,0,1]=4 1365 B5R0.1 COCC(=O)O Amb3939876 [2,0,0,0,0,0|1,0,1]=4 1366 B5R0.1 CSCC(=O)O Amb1152425 [2,0,0,0,0,0|1,0,1]=4 1367 B5R0.1 C\C=C/B(O)O Amb24547752 [2,0,0,0,0,0|1,0,1]=4 1368 B5R0.1 C\C=C/C(=O)O Amb27779315 [2,0,0,0,0,0|0,0,0]=2 1369 B5R0.1 C\C=C/C(C)=O Amb28351405 [2,0,0,0,0,0|1,0,0]=3 1370 B5R0.1 C\C=C\B(O)O Amb33964180 [2,0,0,0,0,0|1,0,1]=4 1371 B5R0.1 C\C=C\C(=O)Br Amb25026006 [2,0,0,0,0,0|1,0,0]=3 1372 B5R0.1 C\C=C\C(=O)Cl Amb8517577 [2,0,0,0,0,0|1,0,0]=3 1373 B5R0.1 C\C=C\C(=O)O Amb8385856 [2,0,0,0,0,0|0,0,0]=2 1374 B5R0.1 C\C=C\C(C)=O Amb33941980 [2,0,0,0,0,0|1,0,0]=3 1375 B5R0.1 C\C=C\C(C)O Amb2721243 [2,0,0,0,0,0|1,0,1]=4 1376 B5R0.1 C\C=C\C(N)=O Amb4025906 [2,0,0,0,0,0|1,0,0]=3 1377 B5R0.1 C\C=C\C(O)O Amb26001148 [2,0,0,0,0,0|0,0,2]=4 1378 B5R0.1 C\C=C\S(=O)[O-] Amb32754562 [2,0,0,0,0,0|1,0,1]=4 1379 B5R0.1 C\C=C\[N+](=O)[O-] Amb25943859 [2,0,0,0,0,0|1,0,1]=4 1380 B5R0.1 NC(=O)\C=C\I Amb27791850 [2,0,0,0,0,0|2,0,0]=4 1381 B5R0.1 N\C=C\C(=O)O Amb27217920 [2,0,0,0,0,0|1,0,0]=3 1382 B5R0.1 N\C=C\C(N)=O Amb27237320 [2,0,0,0,0,0|2,0,0]=4 1383 B5R0.1 O=C(Cl)\C=C/Cl Amb27463694 [2,0,0,0,0,0|2,0,0]=4 1384 B5R0.1 O=C(O)\C=C/Br Amb18644453 [2,0,0,0,0,0|1,0,0]=3 1385 B5R0.1 O=C(O)\C=C/Cl Amb8513768 [2,0,0,0,0,0|1,0,0]=3 1386 B5R0.1 O=C(O)\C=C/I Amb28315824 [2,0,0,0,0,0|1,0,0]=3 1387 B5R0.1 O=C(O)\C=C\Br Amb27423608 [2,0,0,0,0,0|1,0,0]=3 1388 B5R0.1 O=C(O)\C=C\Cl Amb33986098 [2,0,0,0,0,0|1,0,0]=3 1389 B5R0.1 O=C(O)\C=C\I Amb30584673 [2,0,0,0,0,0|1,0,0]=3 1390 B5R0.1 O=C(O)\C=C\O Amb26055842 [2,0,0,0,0,0|1,0,0]=3 1391 B5R0.1 O=C(O)\C=C\S Amb28401590 [2,0,0,0,0,0|1,0,0]=3 1392 B5R0.1 O=C(O)\C=N\O Amb20671938 [2,0,0,0,0,0|2,0,0]=4 1393 B5R0.1 O=CCC(=O)O Amb22169407 [2,0,0,0,0,0|1,0,1]=4 1394 B5R0.2 C#C\C=C\C=O Amb17593013 [2,0,0,0,0,0|0,0,2]=4 1395 B5R0.2 C=C=CCC=O Amb27234481 [2,0,0,0,0,0|0,0,2]=4 1396 B5R0.2 C=CC#CC=O Amb28284761 [2,0,0,0,0,0|0,0,2]=4 1397 B5R0.2 C=CCCC=O Amb4358616 [2,0,0,0,0,0|0,0,2]=4 1398 B5R0.2 C=CCNC=O Amb2781857 [2,0,0,0,0,0|1,0,1]=4 1399 B5R0.2 C=CC\C=C/C Amb26426294 [2,0,0,0,0,0|0,0,1]=3 1400 B5R0.2 C=C\C=C\C#N Amb17593012 [2,0,0,0,0,0|1,0,1]=4 1401 B5R0.2 C=C\C=C\C=C Amb17939040 [2,0,0,0,0,0|0,0,1]=3 1402 B5R0.2 C=C\C=C\C=O Amb26369847 [2,0,0,0,0,0|0,0,0]=2 1403 B5R0.2 C=C\C=C\CBr Amb24350542 [2,0,0,0,0,0|1,0,1]=4 1404 B5R0.2 C=C\C=C\CC Amb8513434 [2,0,0,0,0,0|0,0,1]=3 1405 B5R0.2 C=C\C=C\CCl Amb24401492 [2,0,0,0,0,0|1,0,1]=4 1406 B5R0.2 C=C\C=C\CN Amb26011188 [2,0,0,0,0,0|1,0,1]=4 1407 B5R0.2 C=C\C=C\CN Amb32824809 [2,0,0,0,0,0|1,0,1]=4 1408 B5R0.2 CC\C=C/CO Amb10975881 [2,0,0,0,0,0|0,0,2]=4 1409 B5R0.2 CC\C=C\C=O Amb33986391 [2,0,0,0,0,0|0,0,1]=3 1410 B5R0.2 CC\C=C\CO Amb22347892 [2,0,0,0,0,0|0,0,2]=4 1411 B5R0.2 CN\C=C\C=O Amb24564349 [2,0,0,0,0,0|1,0,0]=3 1412 B5R0.2 CO\C=C/C=O Amb28049941 [2,0,0,0,0,0|1,0,0]=3 1413 B5R0.2 CO\C=C\C=O Amb26873964 [2,0,0,0,0,0|1,0,0]=3 1414 B5R0.2 C\C=C/C=C/C Amb26318493 [2,0,0,0,0,0|0,0,1]=3 1415 B5R0.2 C\C=C/CCO Amb19930204 [2,0,0,0,0,0|0,0,2]=4 1416 B5R0.2 C\C=C\C=C\Br Amb27791828 [2,0,0,0,0,0|1,0,0]=3 1417 B5R0.2 C\C=C\C=C\C Amb27622458 [2,0,0,0,0,0|0,0,1]=3 1418 B5R0.2 C\C=C\CC=O Amb26655030 [2,0,0,0,0,0|0,0,1]=3 1419 B5R0.2 C\C=C\CCO Amb24655557 [2,0,0,0,0,0|0,0,2]=4 1420 B5R0.2 C\C=C\N=C=O Amb24677922 [2,0,0,0,0,0|1,0,1]=4 1421 B5R0.2 O=CC\C=C\Cl Amb24571938 [2,0,0,0,0,0|1,0,1]=4 1422 B5R0.2 O=C\C=C/C=O Amb28146767 [2,0,0,0,0,0|1,0,0]=3 1423 B5R0.2 O=C\C=C\C=O Amb17593019 [2,0,0,0,0,0|1,0,0]=3 1424 B5R0.2 O=C\C=C\CCl Amb18122401 [2,0,0,0,0,0|1,0,1]=4 1425 B5R0.2 O=C\C=C\CF Amb33475269 [2,0,0,0,0,0|1,0,1]=4 1426 B5R0.2 O=C\C=C\CO Amb24356008 [2,0,0,0,0,0|1,0,1]=4 1427 B5R0.2 O\C=C\C=N\O Amb27831482 [2,0,0,0,0,0|2,0,0]=4 1428 B7R0.2 C#C\C(C)=C\C(=O)O Amb27950241 [1,1,0,0,0,0|0,0,2]=4 1429 B7R0.2 C=C(CC)CC(=O)O Amb18641782 [1,1,0,0,0,0|0,0,2]=4 1430 B7R0.2 C=C(O)\C=C(/C)OC Amb27635019 [1,1,0,0,0,0|2,0,0]=4 1431 B7R0.2 C=CC(=C)CC(C)=O Amb27668846 [1,1,0,0,0,0|1,0,1]=4 1432 B7R0.2 C=CC(=C)OC(C)=O Amb25694419 [1,1,0,0,0,0|2,0,0]=4 1433 B7R0.2 C=CC(=O)CC(C)=O Amb27470884 [1,1,0,0,0,0|1,0,1]=4 1434 B7R0.2 C=CC(=O)NC(N)=O Amb13951205 [1,1,0,0,0,0|2,0,0]=4 1435 B7R0.2 C=CC(=O)OC(N)=O Amb27863065 [1,1,0,0,0,0|2,0,0]=4 1436 B7R0.2 C=CC(=O)\C=C(/C)Br Amb28316132 [1,1,0,0,0,0|2,0,0]=4 1437 B7R0.2 C=CC(=O)\C=C(\C)Br Amb27861245 [1,1,0,0,0,0|2,0,0]=4 1438 B7R0.2 C=CC(C)CC(=O)O Amb18641774 [1,1,0,0,0,0|0,0,2]=4 1439 B7R0.2 C=CC(N)CC(=O)O Amb22641963 [1,1,0,0,0,0|0,0,2]=4 1440 B7R0.2 C=CC(N)CC(=O)O Amb31307621 [1,1,0,0,0,0|0,0,2]=4 1441 B7R0.2 C=CC(O)CC(=O)O Amb18641866 [1,1,0,0,0,0|0,0,2]=4 1442 B7R0.2 C=C[C@@H](C)CC(=O)O Amb27868377 [1,1,0,0,0,0|0,0,2]=4 1443 B7R0.2 C=C[C@@H](N)CC(=O)O Amb28315938 [1,1,0,0,0,0|0,0,2]=4 1444 B7R0.2 C=C[C@H](C)CC(=O)O Amb25791667 [1,1,0,0,0,0|0,0,2]=4 1445 B7R0.2 C=C\C(Br)=C/C(C)=O Amb24505183 [1,1,0,0,0,0|1,0,0]=3 1446 B7R0.2 C=C\C(Br)=C/[C@H](C)O Amb27768632 [1,1,0,0,0,0|1,0,1]=4 1447 B7R0.2 C=C\C(C)=C/C(=O)O Amb18641686 [1,1,0,0,0,0|0,0,0]=2 1448 B7R0.2 C=C\C(C)=C/C(C)=O Amb27210017 [1,1,0,0,0,0|1,0,0]=3 1449 B7R0.2 C=C\C(C)=C/C(C)O Amb28061923 [1,1,0,0,0,0|1,0,1]=4 1450 B7R0.2 C=C\C(C)=C/C(N)=O Amb27195399 [1,1,0,0,0,0|1,0,0]=3 1451 B7R0.2 C=C\C(C)=C\C(C)=O Amb25234874 [1,1,0,0,0,0|1,0,0]=3 1452 B7R0.2 C=C\C(O)=C/C(C)=O Amb24553056 [1,1,0,0,0,0|1,0,0]=3 1453 B7R0.2 CC(=O)\C=C(/C)C=O Amb27607120 [1,1,0,0,0,0|2,0,0]=4 1454 B7R0.2 CC(=O)\C=C(\C)C=O Amb18641689 [1,1,0,0,0,0|2,0,0]=4 1455 B7R0.2 CCC(=O)CC(=O)O Amb18641869 [1,1,0,0,0,0|0,0,2]=4 1456 B7R0.2 CC\C(Br)=C\C(=O)O Amb27409320 [1,1,0,0,0,0|0,0,1]=3 1457 B7R0.2 CC\C(C)=C/C(=O)O Amb18281014 [1,1,0,0,0,0|0,0,1]=3 1458 B7R0.2 CC\C(C)=C/C(C)=O Amb27424977 [1,1,0,0,0,0|1,0,1]=4 1459 B7R0.2 CC\C(C)=C\C(=O)O Amb33528462 [1,1,0,0,0,0|0,0,1]=3 1460 B7R0.2 CC\C(C)=C\C(C)=O Amb27985733 [1,1,0,0,0,0|1,0,1]=4 1461 B7R0.2 CC\C(F)=C/C(=O)O Amb27780201 [1,1,0,0,0,0|0,0,1]=3 1462 B7R0.2 CC\C(N)=C\C(=O)O Amb28145108 [1,1,0,0,0,0|0,0,1]=3 1463 B7R0.2 CC\C(N)=C\C(N)=O Amb27621383 [1,1,0,0,0,0|1,0,1]=4 1464 B7R0.2 CC\C(O)=C\C(=O)O Amb27837122 [1,1,0,0,0,0|0,0,1]=3 1465 B7R0.2 CC\C(S)=C\C(C)=O Amb27775797 [1,1,0,0,0,0|1,0,1]=4 1466 B7R0.2 CC\C([O-])=C\C(C)=O Amb19960031 [1,1,0,0,0,0|1,0,1]=4 1467 B7R0.2 CNC(=O)CC(=O)O Amb33529761 [1,1,0,0,0,0|1,0,1]=4 1468 B7R0.2 CN\C(C)=C/C(C)=O Amb15691784 [1,1,0,0,0,0|2,0,0]=4 1469 B7R0.2 CN\C(C)=C\C(C)=O Amb27486166 [1,1,0,0,0,0|2,0,0]=4 1470 B7R0.2 COC(=O)CC(=O)O Amb16232032 [1,1,0,0,0,0|1,0,1]=4 1471 B7R0.2 CO\C(C)=C/C(=O)O Amb2611888 [1,1,0,0,0,0|1,0,0]=3 1472 B7R0.2 CO\C(C)=C/C(C)=O Amb28145644 [1,1,0,0,0,0|2,0,0]=4 1473 B7R0.2 CO\C(C)=C\C(=O)O Amb27631657 [1,1,0,0,0,0|1,0,0]=3 1474 B7R0.2 CO\C(N)=C\C(C)=O Amb27947759 [1,1,0,0,0,0|2,0,0]=4 1475 B7R0.2 CS\C(C)=C\C(C)=O Amb28315811 [1,1,0,0,0,0|2,0,0]=4 1476 B7R0.2 CS\C(N)=C/C(C)=O Amb8554013 [1,1,0,0,0,0|2,0,0]=4 1477 B7R0.2 CS\C(N)=C\C(C)=O Amb27420945 [1,1,0,0,0,0|2,0,0]=4 1478 B7R0.2 C\C(=C/C(=O)O)CO Amb18641871 [1,1,0,0,0,0|1,0,1]=4 1479 B7R0.2 C\C(C#N)=C/C(=O)O Amb27830669 [1,1,0,0,0,0|1,0,1]=4 1480 B7R0.2 C\C=C(/C)CC(C)=O Amb28066574 [1,1,0,0,0,0|1,0,1]=4 1481 B7R0.2 C\C=C(\C)CC(C)=O Amb27637813 [1,1,0,0,0,0|1,0,1]=4 1482 B7R0.2 C\C=C(\C)NC(C)=O Amb24468210 [1,1,0,0,0,0|2,0,0]=4 1483 B7R0.2 C\C=C(\Cl)CC(=O)O Amb25174797 [1,1,0,0,0,0|0,0,1]=3 1484 B7R0.2 C\N=C(C)/C=C(\C)O Amb27637850 [1,1,0,0,0,0|2,0,0]=4 1485 B7R0.2 NC\C(I)=C\C(=O)O Amb28386476 [1,1,0,0,0,0|1,0,1]=4 1486 B7R0.2 O=C(O)C\C(Cl)=C\Cl Amb27812877 [1,1,0,0,0,0|1,0,1]=4 1487 B7R0.2 O=C(O)\C=C(/Br)CO Amb27424808 [1,1,0,0,0,0|1,0,1]=4 1488 B7R0.2 O=C(O)\C=C(\O)CBr Amb28458506 [1,1,0,0,0,0|1,0,1]=4 1489 B7R0.2 O=C\C(Cl)=C/C(=O)O Amb27852924 [1,1,0,0,0,0|1,0,0]=3 1490 B7R0.3 C=C(C=O)C\C=C\C Amb26441086 [1,1,0,0,0,0|1,0,1]=4 1491 B7R0.3 C=CC(=O)C\C=C\C Amb26475455 [1,1,0,0,0,0|1,0,1]=4 1492 B7R0.3 C=CC(=O)\C=C\CC Amb27156684 [1,1,0,0,0,0|1,0,1]=4 1493 B7R0.3 C=CC=C=C(C)C=O Amb28388607 [1,1,0,0,0,0|1,0,1]=4 1494 B7R0.3 C=CCCC(=O)NO Amb28205003 [1,1,0,0,0,0|0,0,2]=4 1495 B7R0.3 C=CCCC(=O)OC Amb2369959 [1,1,0,0,0,0|0,0,2]=4 1496 B7R0.3 C=CCNC(=O)CO Amb33531863 [1,1,0,0,0,0|1,0,1]=4 1497 B7R0.3 C=CCNC(=O)NO Amb28134073 [1,1,0,0,0,0|1,0,1]=4 1498 B7R0.3 C=CCNC(=O)OC Amb17794125 [1,1,0,0,0,0|1,0,1]=4 1499 B7R0.3 C=CCOC(=O)OC Amb8515646 [1,1,0,0,0,0|1,0,1]=4 1500 B7R0.3 C=CC\C=C(/C)C=O Amb18123725 [1,1,0,0,0,0|1,0,1]=4 1501 B7R0.3 C=CC\C=C(/Cl)CO Amb27806456 [1,1,0,0,0,0|1,0,1]=4 1502 B7R0.3 C=C\C=C/[C@H](C)C=O Amb27592910 [1,1,0,0,0,0|1,0,1]=4 1503 B7R0.3 C=C\C=C\C(=O)C=C Amb27210567 [1,1,0,0,0,0|1,0,0]=3 1504 B7R0.3 C=C\C=C\C(=O)OC Amb22350484 [1,1,0,0,0,0|0,0,0]=2 1505 B7R0.3 C=C\C=C\C(C)C=O Amb28048951 [1,1,0,0,0,0|1,0,1]=4 1506 B7R0.3 C=C\C=C\C(O)CO Amb28074781 [1,1,0,0,0,0|0,0,2]=4 1507 B7R0.3 CC=C=CC(=O)OC Amb26575881 [1,1,0,0,0,0|0,0,1]=3 1508 B7R0.3 CCC(=O)\C=C\C=O Amb18641682 [1,1,0,0,0,0|2,0,0]=4 1509 B7R0.3 CCS\C=C(\O)C=O Amb27412581 [1,1,0,0,0,0|1,0,1]=4 1510 B7R0.3 CC\C=C\C(=O)CBr Amb25251595 [1,1,0,0,0,0|1,0,1]=4 1511 B7R0.3 CC\C=C\C(=O)CC Amb25283354 [1,1,0,0,0,0|1,0,1]=4 1512 B7R0.3 CC\C=C\C(=O)CCl Amb33057661 [1,1,0,0,0,0|1,0,1]=4 1513 B7R0.3 CC\C=C\C(=O)CN Amb33268678 [1,1,0,0,0,0|1,0,1]=4 1514 B7R0.3 CC\C=C\C(=O)OC Amb2689583 [1,1,0,0,0,0|0,0,1]=3 1515 B7R0.3 COC(=O)C\C=C\Cl Amb28458363 [1,1,0,0,0,0|1,0,1]=4 1516 B7R0.3 COC(=O)\C=C\C=O Amb18641759 [1,1,0,0,0,0|1,0,0]=3 1517 B7R0.3 COC(=O)\C=C\CBr Amb8513243 [1,1,0,0,0,0|1,0,1]=4 1518 B7R0.3 COC(=O)\C=C\CF Amb35747826 [1,1,0,0,0,0|1,0,1]=4 1519 B7R0.3 COC(=O)\C=C\CN Amb24117125 [1,1,0,0,0,0|1,0,1]=4 1520 B7R0.3 COC(=O)\C=C\CN Amb30634316 [1,1,0,0,0,0|1,0,1]=4 1521 B7R0.3 COC(=O)\C=C\NO Amb28315962 [1,1,0,0,0,0|2,0,0]=4 1522 B7R0.3 COC(=O)\C=C\SC Amb33473626 [1,1,0,0,0,0|1,0,0]=3 1523 B7R0.3 CO\C=C\C(=O)CBr Amb26323620 [1,1,0,0,0,0|2,0,0]=4 1524 B7R0.3 CO\C=C\C(=O)OC Amb6600489 [1,1,0,0,0,0|1,0,0]=3 1525 B7R0.3 CS\C=C\C(=O)NN Amb27458500 [1,1,0,0,0,0|2,0,0]=4 1526 B7R0.3 C\C=C/C=C(/C)C=O Amb27392706 [1,1,0,0,0,0|1,0,0]=3 1527 B7R0.3 C\C=C\C=C(/C)C=O Amb27204994 [1,1,0,0,0,0|1,0,0]=3 1528 B7R0.3 C\C=C\CC(=N)NO Amb26582540 [1,1,0,0,0,0|1,0,1]=4 1529 B7R0.3 C\C=C\CC(=N)OC Amb28058157 [1,1,0,0,0,0|1,0,1]=4 1530 B7R0.3 C\C=C\CC(=O)OC Amb8394879 [1,1,0,0,0,0|0,0,1]=3 1531 B7R0.3 C\C=C\NC(=O)NC Amb24585267 [1,1,0,0,0,0|2,0,0]=4 1532 B7R0.3 C\C=C\NC(=O)OC Amb27838402 [1,1,0,0,0,0|1,0,0]=3 1533 B7R0.3 C\C=C\OC(=O)CCl Amb8387724 [1,1,0,0,0,0|2,0,0]=4 1534 B7R0.3 O=C\C(Br)=C\C=C\O Amb27204776 [1,1,0,0,0,0|2,0,0]=4 1535 B7R0.3 O=C\C(Cl)=C\C=C\O Amb28131732 [1,1,0,0,0,0|2,0,0]=4 1536 B7R0.3 O=C\C=C\C(=O)C=O Amb27440015 [1,1,0,0,0,0|1,0,1]=4 1537 B7R0.3 O=C\C=C\C(=O)CO Amb24574003 [1,1,0,0,0,0|1,0,0]=3 1538 B7R0.5 C=C(C)C(=O)\C=C\C Amb24422389 [1,1,0,0,0,0|2,0,0]=4 1539 B7R0.5 C=C(CCC)C(=O)O Amb18641779 [1,1,0,0,0,0|0,0,2]=4 1540 B7R0.5 C=C(COC)C(=O)O Amb26978134 [1,1,0,0,0,0|1,0,1]=4 1541 B7R0.5 C=C(CSC)C(=O)O Amb26953041 [1,1,0,0,0,0|1,0,1]=4 1542 B7R0.5 C=C(O)C(O)\C=C\C Amb28140639 [1,1,0,0,0,0|1,0,1]=4 1543 B7R0.5 C=C(\C=C\C)C(C)=O Amb25712751 [1,1,0,0,0,0|1,0,0]=3 1544 B7R0.5 C=CCC(=C)C(=O)O Amb18641687 [1,1,0,0,0,0|0,0,1]=3 1545 B7R0.5 C=CCC(=C)C(N)=O Amb27845092 [1,1,0,0,0,0|1,0,1]=4 1546 B7R0.5 C=CCC(=O)C(=O)O Amb25890017 [1,1,0,0,0,0|0,0,1]=3 1547 B7R0.5 C=CCC(C)C(=O)O Amb33545044 [1,1,0,0,0,0|0,0,2]=4 1548 B7R0.5 C=CCC(Cl)C(=O)O Amb25056173 [1,1,0,0,0,0|0,0,2]=4 1549 B7R0.5 C=CCC(F)C(=O)O Amb28071391 [1,1,0,0,0,0|0,0,2]=4 1550 B7R0.5 C=CCC(N)C(=O)O Amb21856826 [1,1,0,0,0,0|0,0,2]=4 1551 B7R0.5 C=CCC(N)C(=O)O Amb9729145 [1,1,0,0,0,0|0,0,2]=4 1552 B7R0.5 C=CC[C@@H](N)C(=O)O Amb22745310 [1,1,0,0,0,0|0,0,2]=4 1553 B7R0.5 C=CC[C@@H](N)C(=O)O Amb8389451 [1,1,0,0,0,0|0,0,2]=4 1554 B7R0.5 C=CC[C@H](N)C(=O)O Amb10982568 [1,1,0,0,0,0|0,0,2]=4 1555 B7R0.5 C=CC[C@H](N)C(=O)O Amb2699115 [1,1,0,0,0,0|0,0,2]=4 1556 B7R0.5 C=C\C=C(/Cl)C(=O)O Amb18642910 [1,1,0,0,0,0|0,0,0]=2 1557 B7R0.5 C=C\C=C(\C)C(=O)O Amb27221069 [1,1,0,0,0,0|0,0,0]=2 1558 B7R0.5 CC(=O)\C(C)=C\C=O Amb28208341 [1,1,0,0,0,0|2,0,0]=4 1559 B7R0.5 CCCC(=O)C(=O)O Amb22347924 [1,1,0,0,0,0|0,0,2]=4 1560 B7R0.5 CCNC(=O)C(=O)O Amb9303800 [1,1,0,0,0,0|1,0,1]=4 1561 B7R0.5 CCOC(=O)C(=O)O Amb16192090 [1,1,0,0,0,0|1,0,1]=4 1562 B7R0.5 CCSC(=O)C(=O)O Amb28410577 [1,1,0,0,0,0|1,0,1]=4 1563 B7R0.5 CC\C=C(/C)C(=O)O Amb2689584 [1,1,0,0,0,0|0,0,1]=3 1564 B7R0.5 CC\C=C(/C)C(N)=O Amb27985331 [1,1,0,0,0,0|1,0,1]=4 1565 B7R0.5 CC\C=C(/Cl)C(C)=O Amb27199134 [1,1,0,0,0,0|1,0,1]=4 1566 B7R0.5 CC\C=C(/F)C(=O)O Amb27968785 [1,1,0,0,0,0|0,0,1]=3 1567 B7R0.5 CC\C=C(\C)C(=O)O Amb27233430 [1,1,0,0,0,0|0,0,1]=3 1568 B7R0.5 CC\C=C(\Cl)C(C)=O Amb27486079 [1,1,0,0,0,0|1,0,1]=4 1569 B7R0.5 CN\C=C(/C)C(N)=O Amb27235593 [1,1,0,0,0,0|2,0,0]=4 1570 B7R0.5 CN\C=C(\C)C(C)=O Amb24640763 [1,1,0,0,0,0|2,0,0]=4 1571 B7R0.5 CN\C=C(\C)C(N)=O Amb28199153 [1,1,0,0,0,0|2,0,0]=4 1572 B7R0.5 CN\N=C(/C)C(=O)O Amb27489531 [1,1,0,0,0,0|2,0,0]=4 1573 B7R0.5 CO\C=C(/C)C(=O)O Amb18641867 [1,1,0,0,0,0|1,0,0]=3 1574 B7R0.5 CO\C=C(/F)C(=O)Cl Amb22641619 [1,1,0,0,0,0|2,0,0]=4 1575 B7R0.5 CO\C=C(/F)C(=O)O Amb28369284 [1,1,0,0,0,0|1,0,0]=3 1576 B7R0.5 CO\C=C(/F)C(C)=O Amb26343815 [1,1,0,0,0,0|2,0,0]=4 1577 B7R0.5 CO\C=C(/O)C(C)=O Amb27423656 [1,1,0,0,0,0|2,0,0]=4 1578 B7R0.5 CO\C=C(\C)C(C)=O Amb26391054 [1,1,0,0,0,0|2,0,0]=4 1579 B7R0.5 CO\C=C(\Cl)C(C)=O Amb27427743 [1,1,0,0,0,0|2,0,0]=4 1580 B7R0.5 CO\C=C(\F)C(=O)O Amb22641708 [1,1,0,0,0,0|1,0,0]=3 1581 B7R0.5 CO\C=C(\F)C(C)=O Amb27191747 [1,1,0,0,0,0|2,0,0]=4 1582 B7R0.5 CO\C=C(\I)C(=O)O Amb27228187 [1,1,0,0,0,0|1,0,0]=3 1583 B7R0.5 CO\C=C(\N)C(=O)O Amb27390812 [1,1,0,0,0,0|1,0,0]=3 1584 B7R0.5 CO\C=C(\O)C(C)=O Amb27435154 [1,1,0,0,0,0|2,0,0]=4 1585 B7R0.5 CO\N=C(/C)C(=O)O Amb28203933 [1,1,0,0,0,0|2,0,0]=4 1586 B7R0.5 CS\C=C(/C)C(C)=O Amb24481401 [1,1,0,0,0,0|2,0,0]=4 1587 B7R0.5 C\C(=C/C=O)C(=O)O Amb27165186 [1,1,0,0,0,0|1,0,0]=3 1588 B7R0.5 C\C(=C/C=O)C(N)=O Amb27838329 [1,1,0,0,0,0|2,0,0]=4 1589 B7R0.5 C\C(=C/CCl)C(=O)O Amb25844891 [1,1,0,0,0,0|1,0,1]=4 1590 B7R0.5 C\C(=C/CN)C(=O)O Amb25845292 [1,1,0,0,0,0|1,0,1]=4 1591 B7R0.5 C\C(=C/CS)C(=O)O Amb28041309 [1,1,0,0,0,0|1,0,1]=4 1592 B7R0.5 C\C=C\C(Br)C(=O)O Amb27451575 [1,1,0,0,0,0|0,0,1]=3 1593 B7R0.5 C\C=C\C(C)C(C)=O Amb26585088 [1,1,0,0,0,0|1,0,1]=4 1594 B7R0.5 C\C=C\C(F)=C(F)F Amb27266115 [1,1,0,0,0,0|2,0,0]=4 1595 B7R0.5 C\C=C\C(O)C(=O)O Amb30585115 [1,1,0,0,0,0|0,0,1]=3 1596 B7R0.5 C\C=C\C(O)C(C)=O Amb25912951 [1,1,0,0,0,0|1,0,1]=4 1597 B7R0.5 C\C=C\[C@@H](N)C(=O)O Amb27948524 [1,1,0,0,0,0|0,0,1]=3 1598 B7R0.5 C\C=C\[C@@H](O)C(=O)O Amb28368832 [1,1,0,0,0,0|0,0,1]=3 1599 B7R0.5 C\C=C\[C@H](O)C(=O)O Amb27162651 [1,1,0,0,0,0|0,0,1]=3 1600 B7R0.5 NC(\C=C\F)C(=O)O Amb27666430 [1,1,0,0,0,0|1,0,1]=4 1601 B7R0.5 NC\C=C(/F)C(=O)O Amb33802627 [1,1,0,0,0,0|1,0,1]=4 1602 B7R0.5 NC\C=C(\F)C(=O)O Amb28340962 [1,1,0,0,0,0|1,0,1]=4 1603 B7R0.5 N[C@@H](\C=C/F)C(=O)O Amb27447269 [1,1,0,0,0,0|1,0,1]=4 1604 B7R0.5 O=C(O)\C(Br)=C\CO Amb28291530 [1,1,0,0,0,0|1,0,1]=4 1605 B7R0.5 O=C(O)\C(Cl)=C\CBr Amb27875077 [1,1,0,0,0,0|1,0,1]=4 1606 B7R0.5 O=CCC(=O)C(=O)O Amb26326260 [1,1,0,0,0,0|1,0,1]=4 1607 B7R0.5 O=C\C=C(/Br)C(=O)O Amb28320595 [1,1,0,0,0,0|1,0,0]=3 1608 B7R0.5 O=C\C=C(/Cl)C(=O)O Amb27784434 [1,1,0,0,0,0|1,0,0]=3 1609 B7R0.6 C=C(Br)CCC(=O)O Amb18648212 [1,1,0,0,0,0|0,0,2]=4 1610 B7R0.6 C=C(Br)\C=C\C(=O)O Amb26530913 [1,1,0,0,0,0|0,0,0]=2 1611 B7R0.6 C=C(C)CCC(=O)O Amb18641793 [1,1,0,0,0,0|0,0,2]=4 1612 B7R0.6 C=C(C)NCC(=O)O Amb9173757 [1,1,0,0,0,0|1,0,1]=4 1613 B7R0.6 C=C(C)\C=C/C(C)=O Amb28061353 [1,1,0,0,0,0|1,0,0]=3 1614 B7R0.6 C=C(C)\C=C\B(O)O Amb25348319 [1,1,0,0,0,0|1,0,1]=4 1615 B7R0.6 C=C(C)\C=C\C(=C)C Amb27229870 [1,1,0,0,0,0|2,0,0]=4 1616 B7R0.6 C=C(C)\C=C\C(=O)O Amb17593153 [1,1,0,0,0,0|0,0,0]=2 1617 B7R0.6 C=C(C)\C=C\C(C)=O Amb33172526 [1,1,0,0,0,0|1,0,0]=3 1618 B7R0.6 C=C(C)\C=C\[N+](=O)[O-] Amb33199530 [1,1,0,0,0,0|1,0,1]=4 1619 B7R0.6 C=C(Cl)CCC(=O)O Amb18642971 [1,1,0,0,0,0|0,0,2]=4 1620 B7R0.6 C=C(N)CCC(=O)O Amb27629351 [1,1,0,0,0,0|0,0,2]=4 1621 B7R0.6 C=C(N)\C=C\C(=C)O Amb27976241 [1,1,0,0,0,0|1,0,0]=3 1622 B7R0.6 C=C(O)\C=C\C(=O)O Amb26391061 [1,1,0,0,0,0|0,0,0]=2 1623 B7R0.6 CC(=O)CC=C(C)C Amb17593170 [1,1,0,0,0,0|1,0,1]=4 1624 B7R0.6 CC(=O)CCC(=O)O Amb534169 [1,1,0,0,0,0|0,0,2]=4 1625 B7R0.6 CC(=O)C\C=C(\C)Cl Amb27880641 [1,1,0,0,0,0|1,0,1]=4 1626 B7R0.6 CC(=O)NCC(=O)O Amb1215271 [1,1,0,0,0,0|1,0,1]=4 1627 B7R0.6 CC(=O)OCC(=O)O Amb1151259 [1,1,0,0,0,0|1,0,1]=4 1628 B7R0.6 CC(=O)\C=C/C(O)O Amb27834325 [1,1,0,0,0,0|0,0,2]=4 1629 B7R0.6 CC(=O)\C=C\C(=O)O Amb2722867 [1,1,0,0,0,0|0,0,0]=2 1630 B7R0.6 CC(=O)\C=C\C(C)=O Amb22346013 [1,1,0,0,0,0|1,0,0]=3 1631 B7R0.6 CC(=O)\C=C\C(C)C Amb28524833 [1,1,0,0,0,0|1,0,1]=4 1632 B7R0.6 CC(=O)\C=C\C(C)Cl Amb25782801 [1,1,0,0,0,0|1,0,1]=4 1633 B7R0.6 CC(=O)\C=C\C(N)=O Amb24516266 [1,1,0,0,0,0|1,0,0]=3 1634 B7R0.6 CC(=O)\C=C\N(C)C Amb4019563 [1,1,0,0,0,0|2,0,0]=4 1635 B7R0.6 CC(=O)\N=C\C(=O)O Amb27262053 [1,1,0,0,0,0|1,0,0]=3 1636 B7R0.6 CC(=S)NCC(=O)O Amb24325138 [1,1,0,0,0,0|1,0,1]=4 1637 B7R0.6 CC(=S)SCC(=O)O Amb25963237 [1,1,0,0,0,0|1,0,1]=4 1638 B7R0.6 CC(C)=CC=C(C)C Amb2721453 [1,1,0,0,0,0|2,0,0]=4 1639 B7R0.6 CC(C)=CC=C(Cl)Cl Amb20620965 [1,1,0,0,0,0|2,0,0]=4 1640 B7R0.6 CC(C)=CCC(=O)O Amb6274419 [1,1,0,0,0,0|0,0,1]=3 1641 B7R0.6 CC(C)=CCC(=O)[O-] Amb22491058 [1,1,0,0,0,0|0,0,2]=4 1642 B7R0.6 CC(C)\C=C\C(=O)Cl Amb24481563 [1,1,0,0,0,0|1,0,1]=4 1643 B7R0.6 CC(C)\C=C\C(=O)O Amb8517064 [1,1,0,0,0,0|0,0,1]=3 1644 B7R0.6 CC(Cl)\C=C\C(=O)Cl Amb24579654 [1,1,0,0,0,0|1,0,1]=4 1645 B7R0.6 CC(N)\C=C\C(=O)O Amb33804531 [1,1,0,0,0,0|0,0,1]=3 1646 B7R0.6 CN(C)\C=C\C(=O)O Amb25273624 [1,1,0,0,0,0|1,0,0]=3 1647 B7R0.6 CN(O)\C=C\C(=O)O Amb27788003 [1,1,0,0,0,0|1,0,0]=3 1648 B7R0.6 CS(=O)\C=C/C(N)=O Amb27815054 [1,1,0,0,0,0|2,0,0]=4 1649 B7R0.6 CS(=O)\C=C\C(=O)O Amb18642965 [1,1,0,0,0,0|1,0,0]=3 1650 B7R0.6 C\C(Cl)=C/CC(N)=O Amb27750566 [1,1,0,0,0,0|1,0,1]=4 1651 B7R0.6 C\C(Cl)=C\CC(=O)O Amb27975492 [1,1,0,0,0,0|0,0,1]=3 1652 B7R0.6 NC(=O)\C=C/C(=O)O Amb2719749 [1,1,0,0,0,0|1,0,0]=3 1653 B7R0.6 NC(=O)\C=C/C(N)=O Amb4292114 [1,1,0,0,0,0|2,0,0]=4 1654 B7R0.6 NC(=O)\C=C\C(=O)O Amb9277095 [1,1,0,0,0,0|1,0,0]=3 1655 B7R0.6 NC(=O)\C=C\C(N)=O Amb6334811 [1,1,0,0,0,0|2,0,0]=4 1656 B7R0.6 NC(=O)\N=C\C(=O)O Amb27592464 [1,1,0,0,0,0|2,0,0]=4 1657 B7R0.6 O=C(Cl)\C=C\C(=O)Cl Amb8513635 [1,1,0,0,0,0|2,0,0]=4 1658 B7R0.6 O=C(O)CC=C(Cl)Cl Amb17593875 [1,1,0,0,0,0|1,0,1]=4 1659 B7R0.6 O=C(O)\C=C/C(=O)O Amb2792876 [1,1,0,0,0,0|1,0,0]=3 1660 B7R0.6 O=C(O)\C=C\B(O)O Amb27864214 [1,1,0,0,0,0|2,0,0]=4 1661 B7R0.6 O=C(O)\C=C\C(=O)Cl Amb25890079 [1,1,0,0,0,0|1,0,0]=3 1662 B7R0.6 O=C(O)\C=C\C(=O)O Amb6608657 [1,1,0,0,0,0|1,0,0]=3 1663 B7R0.6 O=C(O)\C=C\C(=O)O Amb8513055 [1,1,0,0,0,0|1,0,0]=3 1664 B7R0.6 O=C(O)\C=C\C(=O)S Amb27468769 [1,1,0,0,0,0|1,0,0]=3 1665 B7R0.6 O=C(O)\C=C\C(Cl)Cl Amb26464246 [1,1,0,0,0,0|1,0,1]=4 1666 B7R0.6 O=C(O)\C=C\C(F)F Amb24340205 [1,1,0,0,0,0|1,0,1]=4 1667 B7R0.6 O=C(O)\C=C\[N+](=O)[O-] Amb25736416 [1,1,0,0,0,0|2,0,0]=4 1668 B7R0.6 O=C([O-])\C=C/C(=O)O Amb22168115 [1,1,0,0,0,0|1,0,0]=3 1669 B7R0.6 O=C([O-])\C=C/C(=O)O Amb9787714 [1,1,0,0,0,0|1,0,0]=3 1670 B7R0.6 O=C([O-])\C=C\C(=O)[O-] Amb20246799 [1,1,0,0,0,0|1,0,1]=4 1671 B7R0.6 O=C([O-])\C=C\C(=O)[O-] Amb22002520 [1,1,0,0,0,0|1,0,1]=4 1672 B7R0.6 O=C([O-])\C=C\C(=O)[O-] Amb22043369 [1,1,0,0,0,0|1,0,1]=4 1673 B7R0.8 C=C\C=C/S(=O)(=O)F Amb33339026 [1,1,0,0,0,0|1,0,1]=4 1674 B7R0.8 C=C\C=C/S(N)(=O)=O Amb33465339 [1,1,0,0,0,0|1,0,1]=4 1675 B7R0.8 C=C\C=C\C(C)(C)O Amb27603756 [1,1,0,0,0,0|1,0,1]=4 1676 B7R0.8 C=C\C=C\S(=O)(=O)Cl Amb32662764 [1,1,0,0,0,0|1,0,1]=4 1677 B7R0.8 C=C\C=C\S(=O)(=O)F Amb32662763 [1,1,0,0,0,0|1,0,1]=4 1678 B7R0.8 CC\C=C\P(=O)(O)O Amb22388769 [1,1,0,0,0,0|1,0,1]=4 1679 B7R0.1 B\C=C\C=C\C=C\N Amb28068718 [1,1,0,0,0,0|1,0,1]=4 1680 B7R0.1 BrC\C=C\C=C\CBr Amb28286695 [1,1,0,0,0,0|1,0,1]=4 1681 B7R0.1 C#C\C=C\C=C\C=O Amb27968252 [1,1,0,0,0,0|0,0,1]=3 1682 B7R0.1 C#C\C=C\C=C\CBr Amb27845447 [1,1,0,0,0,0|1,0,1]=4 1683 B7R0.1 C#C\C=C\C=C\CO Amb28065184 [1,1,0,0,0,0|0,0,2]=4 1684 B7R0.1 C#C\C=N\C=C\C=O Amb27841149 [1,1,0,0,0,0|0,0,2]=4 1685 B7R0.1 C=C\C=C/C=C/C=O Amb27166172 [1,1,0,0,0,0|0,0,1]=3 1686 B7R0.1 C=C\C=C\C=C\CBr Amb27659022 [1,1,0,0,0,0|1,0,0]=3 1687 B7R0.1 CC=C=C\C=C\CO Amb27853778 [1,1,0,0,0,0|0,0,1]=3 1688 B7R0.1 CCCC\C=C\C=O Amb2720528 [1,1,0,0,0,0|0,0,2]=4 1689 B7R0.1 CCC\C=C\C=C\Cl Amb27657659 [1,1,0,0,0,0|1,0,1]=4 1690 B7R0.1 CCC\C=C\CC=O Amb32954538 [1,1,0,0,0,0|0,0,2]=4 1691 B7R0.1 CCO\C=C\C=C/Br Amb27858991 [1,1,0,0,0,0|1,0,1]=4 1692 B7R0.1 CCO\C=C\C=C\Br Amb28138073 [1,1,0,0,0,0|1,0,1]=4 1693 B7R0.1 CCSC\C=C\C=O Amb33323727 [1,1,0,0,0,0|0,0,2]=4 1694 B7R0.1 CC\C=C\C=C\C=O Amb8392847 [1,1,0,0,0,0|0,0,0]=2 1695 B7R0.1 CC\C=C\C=C\CN Amb33267973 [1,1,0,0,0,0|1,0,1]=4 1696 B7R0.1 CC\C=C\C=C\CO Amb32953372 [1,1,0,0,0,0|0,0,1]=3 1697 B7R0.1 CC\C=C\CCC=O Amb27390797 [1,1,0,0,0,0|0,0,2]=4 1698 B7R0.1 CN\C=C/C=C\C#N Amb18123087 [1,1,0,0,0,0|1,0,1]=4 1699 B7R0.1 CN\C=C\C=C\C#N Amb28072925 [1,1,0,0,0,0|1,0,1]=4 1700 B7R0.1 COCC\C=C\C=O Amb33377482 [1,1,0,0,0,0|0,0,2]=4 1701 B7R0.1 CO\C=C/C#CC=O Amb27401140 [1,1,0,0,0,0|0,0,2]=4 1702 B7R0.1 CO\C=C\C#CC=O Amb27788490 [1,1,0,0,0,0|0,0,2]=4 1703 B7R0.1 CO\C=C\CCC=O Amb18641790 [1,1,0,0,0,0|0,0,2]=4 1704 B7R0.1 CSCC\C=C\C=O Amb32953448 [1,1,0,0,0,0|0,0,2]=4 1705 B7R0.1 C\C=C\C#C\C=C\Br Amb24635659 [1,1,0,0,0,0|1,0,1]=4 1706 B7R0.1 C\C=C\C#C\C=C\Cl Amb26920076 [1,1,0,0,0,0|1,0,1]=4 1707 B7R0.1 C\C=C\C=C=C=CCl Amb25983719 [1,1,0,0,0,0|1,0,1]=4 1708 B7R0.1 C\C=C\C=C\CCBr Amb28201639 [1,1,0,0,0,0|1,0,1]=4 1709 B7R0.1 C\C=C\C=C\CCC Amb27493119 [1,1,0,0,0,0|1,0,1]=4 1710 B7R0.1 C\C=C\C=C\CCN Amb28245294 [1,1,0,0,0,0|1,0,1]=4 1711 B7R0.1 C\C=C\C=C\CCO Amb27459750 [1,1,0,0,0,0|0,0,1]=3 1712 B7R0.1 C\C=C\CCNC=O Amb27874072 [1,1,0,0,0,0|0,0,2]=4 1713 B7R0.1 C\C=C\CC\C=C\C Amb21520377 [1,1,0,0,0,0|1,0,1]=4 1714 B7R0.1 C\C=C\CC\C=C\Cl Amb27433939 [1,1,0,0,0,0|1,0,1]=4 1715 B7R0.1 C\C=C\C\C=C\C=O Amb27202097 [1,1,0,0,0,0|0,0,0]=2 1716 B7R0.1 C\C=C\C\C=C\CBr Amb28051944 [1,1,0,0,0,0|1,0,1]=4 1717 B7R0.1 ClC=C=C\C=C\CCl Amb27962629 [1,1,0,0,0,0|1,0,1]=4 1718 B7R0.1 ClC\C=C\C=C\CCl Amb27818096 [1,1,0,0,0,0|1,0,1]=4 1719 B7R0.1 Cl\C=C/C=C/C=C/Br Amb28325602 [1,1,0,0,0,0|1,0,1]=4 1720 B7R0.1 Cl\C=C\C=C\C=C\Br Amb27192169 [1,1,0,0,0,0|1,0,1]=4 1721 B7R0.1 O=CC\C=C\C=C\Br Amb27222551 [1,1,0,0,0,0|1,0,0]=3 1722 B7R0.1 O=CC\C=C\CC=O Amb26402388 [1,1,0,0,0,0|1,0,1]=4 1723 B7R0.1 O=C\C=C/C=C/C=O Amb17593128 [1,1,0,0,0,0|0,0,1]=3 1724 B7R0.1 O=C\C=C\C=C\C=O Amb25209344 [1,1,0,0,0,0|0,0,1]=3 1725 B7R0.1 O=C\C=C\C=C\CCl Amb28292786 [1,1,0,0,0,0|0,0,0]=2 1726 B7R0.1 O=C\C=C\C=C\CO Amb27424442 [1,1,0,0,0,0|0,0,0]=2 1727 B7R0.1 O=C\C=C\CCC=O Amb18124241 [1,1,0,0,0,0|1,0,1]=4 1728 B7R0.1 OC\C=C/C=C\CO Amb26515771 [1,1,0,0,0,0|0,0,1]=3 1729 B7R0.1 OC\C=C\C=C\CO Amb33328625 [1,1,0,0,0,0|0,0,1]=3 1730 B7R0.1 O\C=C\C=C\CCO Amb27605420 [1,1,0,0,0,0|0,0,1]=3 1731 B7R0.7 C=CCC(=O)\C=C/C Amb27604137 [1,1,0,0,0,0|1,0,1]=4 1732 B7R0.7 C=CCC(=O)\C=C\C Amb24584475 [1,1,0,0,0,0|1,0,1]=4 1733 B7R0.7 C=COC(=O)\C=C\C Amb8514531 [1,1,0,0,0,0|2,0,0]=4 1734 B7R0.7 CC(\C=C\Cl)=C/CO Amb27659253 [1,1,0,0,0,0|1,0,1]=4 1735 B7R0.7 CC(\C=N\O)=C/C=O Amb27428190 [1,1,0,0,0,0|2,0,0]=4 1736 B7R0.7 CCC\C(Br)=C/C=O Amb28252419 [1,1,0,0,0,0|0,0,2]=4 1737 B7R0.7 CCC\C(C)=C\C=O Amb27237056 [1,1,0,0,0,0|0,0,2]=4 1738 B7R0.7 CCS\C(C)=C/C=O Amb18642814 [1,1,0,0,0,0|1,0,1]=4 1739 B7R0.7 CCS\C(C)=C\C=O Amb27482152 [1,1,0,0,0,0|1,0,1]=4 1740 B7R0.7 COC\C(C)=C\C=O Amb28287378 [1,1,0,0,0,0|1,0,1]=4 1741 B7R0.7 CO\C=C(/C)CC=O Amb27643505 [1,1,0,0,0,0|1,0,1]=4 1742 B7R0.7 C\C=C\C(=O)N=C=O Amb24483044 [1,1,0,0,0,0|1,0,1]=4 1743 B7R0.7 C\C=C\C(=O)\C=C/Cl Amb28316111 [1,1,0,0,0,0|1,0,0]=3 1744 B7R0.7 C\C=C\C(=O)\C=C\Br Amb28422704 [1,1,0,0,0,0|1,0,0]=3 1745 B7R0.7 C\C=C\C(=O)\C=C\Cl Amb27657841 [1,1,0,0,0,0|1,0,0]=3 1746 B7R0.7 C\C=C\C(=O)\C=C\N Amb27422017 [1,1,0,0,0,0|1,0,0]=3 1747 B7R0.7 C\C=C\C(=O)\C=C\O Amb28054394 [1,1,0,0,0,0|0,0,0]=2 1748 B7R0.7 C\C=C\C(C)CC=O Amb25366468 [1,1,0,0,0,0|0,0,2]=4 1749 B7R0.7 C\C=C\C(Cl)=C\CCl Amb27435614 [1,1,0,0,0,0|1,0,1]=4 1750 B7R0.7 C\C=C\[C@@H](C)CC=O Amb27791915 [1,1,0,0,0,0|0,0,2]=4 1751 B9R0.4 C=CCC\C(C)=C/C(=O)O Amb25242614 [0,2,0,0,0,0|0,0,2]=4 1752 B9R0.4 C=CCC\C(C)=C\C(=O)O Amb18643565 [0,2,0,0,0,0|0,0,2]=4 1753 B9R0.4 CC(=O)CC(=O)\C=C\C=O Amb26592201 [0,2,0,0,0,0|2,0,0]=4 1754 B9R0.4 CC(=O)OC(=O)\C=C/C=O Amb28049872 [0,2,0,0,0,0|2,0,0]=4 1755 B9R0.4 CC(=O)OC(=O)\C=C\C=O Amb27881869 [0,2,0,0,0,0|2,0,0]=4 1756 B9R0.4 CC(=O)\C=C(C)/C=C/C=O Amb27471937 [0,2,0,0,0,0|1,0,1]=4 1757 B9R0.4 CC(\C=C\C=O)=C/C(=O)O Amb27663875 [0,2,0,0,0,0|0,0,1]=3 1758 B9R0.4 CCCC\C(Br)=C/C(=O)O Amb27622154 [0,2,0,0,0,0|0,0,2]=4 1759 B9R0.4 CCCC\C(C)=C\C(=O)O Amb25929028 [0,2,0,0,0,0|0,0,2]=4 1760 B9R0.4 CCC\C=C(\C)CC(=O)O Amb25947471 [0,2,0,0,0,0|0,0,2]=4 1761 B9R0.4 CC\C=C\C(=O)NC(C)=O Amb26025304 [0,2,0,0,0,0|1,0,1]=4 1762 B9R0.4 CC\C=C\C(=O)\C=C(/C)O Amb27427737 [0,2,0,0,0,0|1,0,0]=3 1763 B9R0.4 CC\C=C\C(C)=C\C(=O)O Amb35734787 [0,2,0,0,0,0|0,0,0]=2 1764 B9R0.4 CC\C=C\C(C)CC(=O)O Amb32954891 [0,2,0,0,0,0|0,0,2]=4 1765 B9R0.4 CC\C=C\C(N)CC(=O)O Amb25843767 [0,2,0,0,0,0|0,0,2]=4 1766 B9R0.4 CC\C=C\C(O)CC(=O)O Amb33429309 [0,2,0,0,0,0|0,0,2]=4 1767 B9R0.4 CC\C=C\[C@@H](O)CC(=O)O Amb33268250 [0,2,0,0,0,0|0,0,2]=4 1768 B9R0.4 CC\C=C\[C@H](O)CC(=O)O Amb28340505 [0,2,0,0,0,0|0,0,2]=4 1769 B9R0.4 COCO\C(C)=C\C(=O)O Amb28203934 [0,2,0,0,0,0|1,0,1]=4 1770 B9R0.4 CONC\C(C)=C\C(=O)O Amb27758465 [0,2,0,0,0,0|1,0,1]=4 1771 B9R0.4 CO\C=C\C(=O)C=C(C)C Amb27602071 [0,2,0,0,0,0|2,0,0]=4 1772 B9R0.4 CO\C=C\C(=O)\C=C(/C)O Amb28054328 [0,2,0,0,0,0|1,0,0]=3 1773 B9R0.4 CO\C=C\C(=O)\C=C(\C)O Amb28351376 [0,2,0,0,0,0|1,0,0]=3 1774 B9R0.4 CSC\C=C(\C)CC(=O)O Amb24726319 [0,2,0,0,0,0|0,0,2]=4 1775 B9R0.4 C\C(=C/C(=O)O)CCCBr Amb27801009 [0,2,0,0,0,0|0,0,2]=4 1776 B9R0.4 C\C(=C\C(=O)O)CCCCl Amb18126354 [0,2,0,0,0,0|0,0,2]=4 1777 B9R0.4 C\C=C/C[C@@H](O)CC(=O)O Amb28050083 [0,2,0,0,0,0|0,0,2]=4 1778 B9R0.4 C\C=C\NC(=O)CC(C)=O Amb26440716 [0,2,0,0,0,0|1,0,1]=4 1779 B9R0.4 NC\C=C\C(=O)NC(N)=O Amb27790083 [0,2,0,0,0,0|2,0,0]=4 1780 B9R0.6 C=C(C(C)=O)C(C)\C=C\C Amb25146572 [0,2,0,0,0,0|1,0,1]=4 1781 B9R0.6 CC(\C=C\Br)=C(\C)C(=O)O Amb27622148 [0,2,0,0,0,0|1,0,0]=3 1782 B9R0.6 CCC\C(C)=C(/C)C(=O)O Amb28072401 [0,2,0,0,0,0|0,0,2]=4 1783 B9R0.6 CCC\C(C)=C(/F)C(=O)O Amb27655820 [0,2,0,0,0,0|0,0,2]=4 1784 B9R0.6 CCOC(=O)C(=O)C(=O)O Amb27392066 [0,2,0,0,0,0|1,0,1]=4 1785 B9R0.6 CCO\C(F)=C(/F)C(=O)O Amb28119923 [0,2,0,0,0,0|1,0,1]=4 1786 B9R0.6 CCS\C(C)=C(/C)C(=O)O Amb28436848 [0,2,0,0,0,0|1,0,1]=4 1787 B9R0.6 CC\C=C(\C)C(C)C(=O)O Amb27619278 [0,2,0,0,0,0|0,0,2]=4 1788 B9R0.6 COC\C(Br)=C(/C)C(=O)O Amb27782370 [0,2,0,0,0,0|1,0,1]=4 1789 B9R0.6 COC\C(C)=C(/F)C(=O)O Amb27868085 [0,2,0,0,0,0|1,0,1]=4 1790 B9R0.6 COC\C(O)=C(/N)C(=O)O Amb27786739 [0,2,0,0,0,0|1,0,1]=4 1791 B9R0.6 CONC(=O)C(=O)C(=O)O Amb27594170 [0,2,0,0,0,0|2,0,0]=4 1792 B9R0.6 C\C=C\C(C)C(C)C(=O)O Amb28346501 [0,2,0,0,0,0|0,0,2]=4 1793 B9R0.6 C\C=C\[C@@H](C)[C@H](Br)C(=O)O Amb27849000 [0,2,0,0,0,0|0,0,2]=4 1794 B9R0.6 C\C=C\[C@H](C)[C@H](C)C(=O)O Amb27630536 [0,2,0,0,0,0|0,0,2]=4 1795 B9R0.6 O=C(O)\C(Cl)=C(Cl)\C=N\O Amb28366134 [0,2,0,0,0,0|2,0,0]=4 1796 B9R0.14 C=C\C(=C/C(=O)O)OCC Amb27613283 [0,2,0,0,0,0|1,0,1]=4 1797 B9R0.14 CCC\C(=C\C(=O)O)CC Amb4020004 [0,2,0,0,0,0|0,0,2]=4 1798 B9R0.14 CCO\C(=C\C(=O)O)CC Amb18644142 [0,2,0,0,0,0|1,0,1]=4 1799 B9R0.14 CCO\C(=C\C(=O)O)CO Amb17593652 [0,2,0,0,0,0|1,0,1]=4 1800 B9R0.14 C\C=C\[C@@H](CC)CC(=O)O Amb28422930 [0,2,0,0,0,0|0,0,2]=4 1801 B9R0.14 C\C=C\[S+](CC)CC(=O)O Amb28396538 [0,2,0,0,0,0|1,0,1]=4 1802 B9R0.23 C=C(CC(=O)O)C(=O)OC Amb4034427 [0,2,0,0,0,0|1,0,1]=4 1803 B9R0.23 C=C(CC)\C(C)=C\C(C)=O Amb27750302 [0,2,0,0,0,0|1,0,1]=4 1804 B9R0.23 CCC(C)\C(C)=C\C(=O)O Amb27837581 [0,2,0,0,0,0|0,0,2]=4 1805 B9R0.23 CCC(C)\C(Cl)=C\C(=O)O Amb28254394 [0,2,0,0,0,0|0,0,2]=4 1806 B9R0.23 CCS(=O)\C(C)=C/C(=O)O Amb27878557 [0,2,0,0,0,0|1,0,1]=4 1807 B9R0.23 CCS(=O)\C(C)=C\C(=O)O Amb27817744 [0,2,0,0,0,0|1,0,1]=4 1808 B9R0.23 CC\C(C)=C(/C)CC(=O)O Amb28050046 [0,2,0,0,0,0|0,0,2]=4 1809 B9R0.23 CNC(=O)\C(C)=C\C(=O)O Amb27202767 [0,2,0,0,0,0|1,0,0]=3 1810 B9R0.23 COC(=O)\C(Br)=C\C(=O)O Amb15695379 [0,2,0,0,0,0|1,0,0]=3 1811 B9R0.23 COC(=O)\C(C)=C\C(=O)O Amb27221493 [0,2,0,0,0,0|1,0,0]=3 1812 B9R0.23 COC(=O)\C(C)=C\C(C)=O Amb27164598 [0,2,0,0,0,0|2,0,0]=4 1813 B9R0.23 COC(=O)\C(F)=C\C(=O)O Amb28288995 [0,2,0,0,0,0|1,0,0]=3 1814 B9R0.23 COC(=O)\C(N)=C\C(C)=O Amb24411031 [0,2,0,0,0,0|2,0,0]=4 1815 B9R0.23 COC(=O)\C(N)=C\C(N)=O Amb27254114 [0,2,0,0,0,0|2,0,0]=4 1816 B9R0.23 COC(=O)\C(O)=C\C(C)=O Amb1981446 [0,2,0,0,0,0|2,0,0]=4 1817 B9R0.23 COC(=O)\C([O-])=C\C(C)=O Amb29083217 [0,2,0,0,0,0|2,0,0]=4 1818 B9R0.23 C\C=C(/C)C(=O)C=C(C)C Amb27409574 [0,2,0,0,0,0|2,0,0]=4 1819 B9R0.23 C\C=C(\C)C(=O)NC(C)=O Amb27810928 [0,2,0,0,0,0|2,0,0]=4 1820 B9R0.23 C\C=C(\C)C(N)CC(=O)O Amb28245387 [0,2,0,0,0,0|0,0,2]=4 1821 B9R0.23 C\C=C(\F)C(=O)NC(N)=O Amb28292655 [0,2,0,0,0,0|2,0,0]=4 1822 B9R0.34 CCC\C(N)=C\C(=O)OC Amb27615138 [0,2,0,0,0,0|0,0,2]=4 1823 B9R0.34 CCO\C(C)=C\C(=O)OC Amb27871317 [0,2,0,0,0,0|1,0,1]=4 1824 B9R0.34 CCO\C(N)=C/C(=O)OC Amb27976783 [0,2,0,0,0,0|1,0,1]=4 1825 B9R0.34 CCO\C(N)=C\C(=O)OC Amb27851997 [0,2,0,0,0,0|1,0,1]=4 1826 B9R0.34 CC\C=C(C)\C=C(/C)C=O Amb18643326 [0,2,0,0,0,0|1,0,1]=4 1827 B9R0.34 COC(=O)CC(=O)\C=C\N Amb27800085 [0,2,0,0,0,0|1,0,1]=4 1828 B9R0.34 C\C=C/C(C)\C=C(/C)C=O Amb28194647 [0,2,0,0,0,0|1,0,1]=4 1829 B9R0.34 C\C=C/[C@H](C)\C=C(/C)C=O Amb27816344 [0,2,0,0,0,0|1,0,1]=4 1830 B9R0.34 C\C=C\C(C)=C/C(=O)CC Amb27261991 [0,2,0,0,0,0|1,0,0]=3 1831 B9R0.34 C\C=C\C(C)=C/C(=O)OC Amb35691749 [0,2,0,0,0,0|0,0,0]=2 1832 B9R0.34 C\C=C\C(C)OC(=O)CO Amb27763573 [0,2,0,0,0,0|1,0,1]=4 1833 B9R0.34 C\C=C\C(O)CC(=O)OC Amb27171766 [0,2,0,0,0,0|0,0,2]=4 1834 B9R0.34 C\C=C\[C@@H](N)CC(=O)OC Amb27394449 [0,2,0,0,0,0|0,0,2]=4 1835 B9R0.34 C\C=C\[C@H](O)CC(=O)OC Amb27980361 [0,2,0,0,0,0|0,0,2]=4 1836 B9R0.53 CC(=O)CC(=O)\C=C(/C)N Amb28314223 [0,2,0,0,0,0|1,0,1]=4 1837 B9R0.53 CC(=O)NC(=O)C=C(C)C Amb27876464 [0,2,0,0,0,0|2,0,0]=4 1838 B9R0.53 CC(=O)NC(=O)CC(=O)O Amb24671240 [0,2,0,0,0,0|1,0,1]=4 1839 B9R0.53 CC(=O)NC(=O)\C=C(/C)O Amb27789891 [0,2,0,0,0,0|2,0,0]=4 1840 B9R0.53 CC(=O)NC(=O)\C=C(/C)S Amb28068818 [0,2,0,0,0,0|2,0,0]=4 1841 B9R0.53 CC(=O)NC(=O)\C=C(\C)O Amb27873079 [0,2,0,0,0,0|2,0,0]=4 1842 B9R0.53 CC(=O)O\C(C)=C/C(N)=O Amb27860203 [0,2,0,0,0,0|2,0,0]=4 1843 B9R0.53 CC(=O)\C=C(/C)CC(C)=O Amb24647875 [0,2,0,0,0,0|1,0,1]=4 1844 B9R0.53 CC(=O)\C=C(/C)OC(C)=O Amb24706701 [0,2,0,0,0,0|2,0,0]=4 1845 B9R0.53 CC(=O)\C=C(/O)C=C(C)C Amb28198590 [0,2,0,0,0,0|1,0,0]=3 1846 B9R0.53 CC(=O)\C=C(/O)CC(C)=O Amb27945526 [0,2,0,0,0,0|1,0,1]=4 1847 B9R0.53 CC(=O)\C=C(O)\C=C(/C)O Amb27467826 [0,2,0,0,0,0|1,0,0]=3 1848 B9R0.53 CC(=O)\C=C(\C)CC(C)=O Amb25719264 [0,2,0,0,0,0|1,0,1]=4 1849 B9R0.53 CC(C)=CC(=O)C=C(C)C Amb19957829 [0,2,0,0,0,0|2,0,0]=4 1850 B9R0.53 CC(C)=CC(=O)NC(N)=O Amb27814879 [0,2,0,0,0,0|2,0,0]=4 1851 B9R0.53 CC(C)=C\C(C)=C\C(=O)O Amb27422044 [0,2,0,0,0,0|0,0,0]=2 1852 B9R0.53 C\C(=C/C(=O)O)CC(=O)O Amb24556420 [0,2,0,0,0,0|1,0,1]=4 1853 B9R0.53 C\C(=C/C(=O)O)CN(C)O Amb27459209 [0,2,0,0,0,0|1,0,1]=4 1854 B9R0.53 C\C(=C/C(=O)O)SC(=N)N Amb27816163 [0,2,0,0,0,0|2,0,0]=4 1855 B9R0.53 C\C(=C\C(=O)O)CC(=O)O Amb26421861 [0,2,0,0,0,0|1,0,1]=4 1856 B9R0.53 C\C(=C\C(=O)O)CC(C)C Amb26947874 [0,2,0,0,0,0|0,0,2]=4 1857 B9R0.53 C\C(=C\C(C)C)CC(=O)O Amb27784871 [0,2,0,0,0,0|0,0,2]=4 1858 B9R0.53 O=C(O)\C=C(\Cl)CC(=O)O Amb2612119 [0,2,0,0,0,0|1,0,1]=4 1859 B9R0.58 C\C=C\C(C)(N)CC(=O)O Amb33036295 [0,2,0,0,0,0|0,0,2]=4 1860 B9R0.58 C\C=C\C(C)(O)CC(=O)O Amb33036111 [0,2,0,0,0,0|0,0,2]=4 1861 B9R0.1 C#CC(C)N\C=C\C(=O)O Amb28076159 [0,2,0,0,0,0|1,0,1]=4 1862 B9R0.1 C#C\C(C)=C\C=C\C(C)=O Amb26028330 [0,2,0,0,0,0|1,0,0]=3 1863 B9R0.1 C#C\C(C)=C\CCC(=O)O Amb27461397 [0,2,0,0,0,0|0,0,2]=4 1864 B9R0.1 C=C\C(C)=C\C=C\C(C)=O Amb28202360 [0,2,0,0,0,0|1,0,0]=3 1865 B9R0.1 CC(=O)\C=C\C=C(/C)C=O Amb10068394 [0,2,0,0,0,0|1,0,0]=3 1866 B9R0.1 CC(=O)\C=C\C=C(/C)CBr Amb28057200 [0,2,0,0,0,0|1,0,0]=3 1867 B9R0.1 CC(C#N)C\C=C\C(=O)O Amb24670837 [0,2,0,0,0,0|0,0,2]=4 1868 B9R0.1 CC(C)=CC\C=C(/C)CO Amb27480674 [0,2,0,0,0,0|1,0,1]=4 1869 B9R0.1 CC(C)=C\C=C\C(C)C=O Amb18643328 [0,2,0,0,0,0|1,0,1]=4 1870 B9R0.1 CC(C)=C\C=C\C(C)CO Amb27588854 [0,2,0,0,0,0|1,0,1]=4 1871 B9R0.1 CC(CO)N\C=C\C(=O)O Amb27776997 [0,2,0,0,0,0|1,0,1]=4 1872 B9R0.1 CCC(=O)\C=C\C=C(C)C Amb25735248 [0,2,0,0,0,0|1,0,0]=3 1873 B9R0.1 CCN(C)C\C=C\C(=O)O Amb19020698 [0,2,0,0,0,0|0,0,2]=4 1874 B9R0.1 CCN(O)C\C=C\C(=O)O Amb27784415 [0,2,0,0,0,0|0,0,2]=4 1875 B9R0.1 CC[C@H](C)C\C=C/C(=O)O Amb27779551 [0,2,0,0,0,0|0,0,2]=4 1876 B9R0.1 CC\C(C)=C\CCC(=O)O Amb27474810 [0,2,0,0,0,0|0,0,2]=4 1877 B9R0.1 CNC(=O)O\C=C\C(C)=O Amb25888972 [0,2,0,0,0,0|2,0,0]=4 1878 B9R0.1 CNC(=S)S\C=C/C(=O)O Amb28396514 [0,2,0,0,0,0|1,0,0]=3 1879 B9R0.1 COC(=O)C\C=C\C(C)=O Amb25205440 [0,2,0,0,0,0|0,0,1]=3 1880 B9R0.1 COC(=O)C\C=C\C(C)O Amb27756374 [0,2,0,0,0,0|0,0,2]=4 1881 B9R0.1 COC(=O)C\C=C\[C@@H](C)O Amb28321357 [0,2,0,0,0,0|0,0,2]=4 1882 B9R0.1 COC(=O)C\N=C\C(C)=O Amb28052024 [0,2,0,0,0,0|1,0,1]=4 1883 B9R0.1 COC(=O)N\C=C/C(C)=O Amb27627638 [0,2,0,0,0,0|1,0,0]=3 1884 B9R0.1 COC(=O)N\C=C/C(N)=O Amb28341305 [0,2,0,0,0,0|2,0,0]=4 1885 B9R0.1 COC(=O)N\C=C\C(=O)Cl Amb27838039 [0,2,0,0,0,0|2,0,0]=4 1886 B9R0.1 COC(=O)N\N=C\C(=O)O Amb24427251 [0,2,0,0,0,0|2,0,0]=4 1887 B9R0.1 COC(=O)\C=C/CC(C)C Amb10071548 [0,2,0,0,0,0|0,0,2]=4 1888 B9R0.1 COC(=O)\C=C/NC(C)=O Amb28067616 [0,2,0,0,0,0|1,0,0]=3 1889 B9R0.1 COC(=O)\C=C/SC(=N)N Amb27845315 [0,2,0,0,0,0|2,0,0]=4 1890 B9R0.1 COC(=O)\C=C\CC(C)C Amb2689517 [0,2,0,0,0,0|0,0,2]=4 1891 B9R0.1 COC(=O)\C=C\CC(C)C Amb33714772 [0,2,0,0,0,0|0,0,2]=4 1892 B9R0.1 COC(=O)\C=C\CN(C)C Amb17612878 [0,2,0,0,0,0|1,0,1]=4 1893 B9R0.1 COC(=O)\C=C\CN(C)O Amb28349189 [0,2,0,0,0,0|1,0,1]=4 1894 B9R0.1 COC(=O)\C=C\SC(C)C Amb27197412 [0,2,0,0,0,0|1,0,1]=4 1895 B9R0.1 COC(=S)N\N=C\C(=O)O Amb24100367 [0,2,0,0,0,0|2,0,0]=4 1896 B9R0.1 CSC(C)\C=C/CC(=O)O Amb28121047 [0,2,0,0,0,0|0,0,2]=4 1897 B9R0.1 CSC(C)\C=C\CC(=O)O Amb18645413 [0,2,0,0,0,0|0,0,2]=4 1898 B9R0.1 C\C(=C/C=C/C(C)O)CBr Amb27392956 [0,2,0,0,0,0|1,0,1]=4 1899 B9R0.1 C\C(=C\C=C\C(=O)O)CO Amb27975896 [0,2,0,0,0,0|0,0,0]=2 1900 B9R0.1 C\C=C(C)\C=C\C=C(C)C Amb533823 [0,2,0,0,0,0|2,0,0]=4 1901 B9R0.1 C\N=C(/N)N\N=C\C(=O)O Amb27216735 [0,2,0,0,0,0|2,0,0]=4 1902 B9R0.1 O=C(O)\C=C\NC(=O)CCl Amb27494076 [0,2,0,0,0,0|1,0,0]=3 1903 B9R0.1 O=C\C(Cl)=C\C=C\C(=O)O Amb28458190 [0,2,0,0,0,0|0,0,1]=3 1904 B9R0.5 C=C(\C=C\C=C\C)CC=O Amb28049979 [0,2,0,0,0,0|1,0,0]=3 1905 B9R0.5 C=CCC(O)\C=C\C=C\C Amb27946843 [0,2,0,0,0,0|1,0,1]=4 1906 B9R0.5 C=CC[C@@H](O)\C=C\C=C\C Amb28350080 [0,2,0,0,0,0|1,0,1]=4 1907 B9R0.5 C=CC[C@H](O)\C=C\C=C\C Amb27839192 [0,2,0,0,0,0|1,0,1]=4 1908 B9R0.5 C=COC(=O)\C=C\C=C\C Amb17689054 [0,2,0,0,0,0|0,0,0]=2 1909 B9R0.5 C=C\C=C\CC(=O)OCC Amb32676427 [0,2,0,0,0,0|0,0,2]=4 1910 B9R0.5 C=C\C=C\NC(=O)OCC Amb27226165 [0,2,0,0,0,0|1,0,1]=4 1911 B9R0.5 CCC\C=C\C(=O)\C=C\O Amb28202126 [0,2,0,0,0,0|0,0,2]=4 1912 B9R0.5 CCOC(=O)O\C=C\C=O Amb25367363 [0,2,0,0,0,0|2,0,0]=4 1913 B9R0.5 CCOC(=O)\C=C\C=C\Br Amb10066940 [0,2,0,0,0,0|1,0,0]=3 1914 B9R0.5 CCOC(=O)\C=C\CC=O Amb26587773 [0,2,0,0,0,0|1,0,1]=4 1915 B9R0.5 CCOC(=O)\C=C\CNC Amb27227952 [0,2,0,0,0,0|1,0,1]=4 1916 B9R0.5 CCO\C=C\C(=O)OCC Amb2725613 [0,2,0,0,0,0|1,0,1]=4 1917 B9R0.5 C\C=C\C=C\C(=O)CCC Amb27800019 [0,2,0,0,0,0|1,0,0]=3 1918 B9R0.5 C\C=C\C=C\C(=O)NCC Amb28367204 [0,2,0,0,0,0|1,0,0]=3 1919 B9R0.5 C\C=C\C=C\C(=O)NCO Amb28132643 [0,2,0,0,0,0|0,0,0]=2 1920 B9R0.5 C\C=C\C=C\C(=O)NOC Amb27650111 [0,2,0,0,0,0|0,0,0]=2 1921 B9R0.5 C\C=C\C=C\C(=O)OCC Amb6297204 [0,2,0,0,0,0|0,0,0]=2 1922 B9R0.5 C\C=C\CCC(=O)COC Amb27424966 [0,2,0,0,0,0|0,0,2]=4 1923 B9R0.8 CCC\C=C(\C)C(=O)CO Amb27844148 [0,2,0,0,0,0|0,0,2]=4 1924 B9R0.8 CCO\C=C(/C)C(=O)OC Amb32658517 [0,2,0,0,0,0|1,0,1]=4 1925 B9R0.8 CC\C=C\C(N)C(=O)OC Amb33268687 [0,2,0,0,0,0|0,0,2]=4 1926 B9R0.8 CC\C=C\C(O)C(=O)OC Amb32663237 [0,2,0,0,0,0|0,0,2]=4 1927 B9R0.8 COC(=O)\C(C)=C\CC=O Amb28411174 [0,2,0,0,0,0|1,0,1]=4 1928 B9R0.8 COC(=O)\C(C)=C\CSC Amb28349877 [0,2,0,0,0,0|1,0,1]=4 1929 B9R0.8 C\C=C\C=C(/C)C(=O)CC Amb28253877 [0,2,0,0,0,0|1,0,0]=3 1930 B9R0.8 C\C=C\C=C(/C)C(O)CO Amb27970548 [0,2,0,0,0,0|0,0,2]=4 1931 B9R0.8 C\C=C\CC(N)C(=O)OC Amb26348150 [0,2,0,0,0,0|0,0,2]=4 1932 B9R0.8 C\C=C\CC(O)C(=O)OC Amb27588872 [0,2,0,0,0,0|0,0,2]=4 1933 B9R0.8 C\C=C\C[C@@H](N)C(=O)OC Amb27169570 [0,2,0,0,0,0|0,0,2]=4 1934 B9R0.24 CCC(C)\C=C/C(=O)OC Amb27760361 [0,2,0,0,0,0|0,0,2]=4 1935 B9R0.24 CCC(C)\C=C\C(=O)OC Amb28049396 [0,2,0,0,0,0|0,0,2]=4 1936 B9R0.24 CNC(=O)\C=C\C(=O)NC Amb26935675 [0,2,0,0,0,0|2,0,0]=4 1937 B9R0.24 CNC(=O)\N=C\C(=O)OC Amb27473353 [0,2,0,0,0,0|2,0,0]=4 1938 B9R0.24 COC(=O)N\C=C(/C)C=O Amb27837939 [0,2,0,0,0,0|2,0,0]=4 1939 B9R0.24 COC(=O)O\C=C(\C)C=O Amb27640699 [0,2,0,0,0,0|2,0,0]=4 1940 B9R0.24 COC(=O)\C=C/C(=O)OC Amb8514575 [0,2,0,0,0,0|1,0,0]=3 1941 B9R0.24 COC(=O)\C=C\C(=O)CBr Amb26539741 [0,2,0,0,0,0|1,0,1]=4 1942 B9R0.24 COC(=O)\C=C\C(=O)OC Amb1789270 [0,2,0,0,0,0|1,0,0]=3 1943 B9R0.24 C\C=C(/C)CNC(=O)OC Amb28346258 [0,2,0,0,0,0|1,0,1]=4 1944 B9R0.24 C\C=C(C)\C=C\C(=O)CC Amb27204819 [0,2,0,0,0,0|1,0,0]=3 1945 B9R0.46 C=C\C=C\CCC(=O)OC Amb10605293 [0,2,0,0,0,0|0,0,2]=4 1946 B9R0.46 CCCC\C=C\C(=O)OC Amb25339041 [0,2,0,0,0,0|0,0,2]=4 1947 B9R0.46 CCCS\C=C\C(=O)OC Amb27837838 [0,2,0,0,0,0|0,0,2]=4 1948 B9R0.46 CCC\C=C\CC(=O)OC Amb27452086 [0,2,0,0,0,0|0,0,2]=4 1949 B9R0.46 CCON\C=C\C(=O)OC Amb28071266 [0,2,0,0,0,0|1,0,1]=4 1950 B9R0.46 CC\C=C/C=C/C(=O)CBr Amb27876471 [0,2,0,0,0,0|1,0,0]=3 1951 B9R0.46 CC\C=C\C=C\C(O)C#N Amb27471650 [0,2,0,0,0,0|1,0,1]=4 1952 B9R0.46 CC\C=C\C=C\C(O)CCl Amb28286156 [0,2,0,0,0,0|1,0,1]=4 1953 B9R0.46 CC\C=C\C=C\[C@H](O)C#N Amb27980535 [0,2,0,0,0,0|1,0,1]=4 1954 B9R0.46 CC\C=C\C=C\[C@H](O)CCl Amb27265863 [0,2,0,0,0,0|1,0,1]=4 1955 B9R0.46 CC\C=C\CCC(=O)OC Amb25350136 [0,2,0,0,0,0|0,0,2]=4 1956 B9R0.46 CC\C=C\COC(=O)CO Amb27479358 [0,2,0,0,0,0|0,0,2]=4 1957 B9R0.46 CC\C=C\C\C=C(/C)CO Amb27839246 [0,2,0,0,0,0|1,0,1]=4 1958 B9R0.46 COC(=O)C\C=C\CCO Amb28292442 [0,2,0,0,0,0|0,0,2]=4 1959 B9R0.46 COC(=O)\C=C\C#CCBr Amb27210526 [0,2,0,0,0,0|0,0,2]=4 1960 B9R0.46 COC(=O)\C=C\C#CCO Amb27852440 [0,2,0,0,0,0|0,0,2]=4 1961 B9R0.46 COC(=O)\C=C\C=C\C=O Amb18643494 [0,2,0,0,0,0|0,0,1]=3 1962 B9R0.46 COC(=O)\C=C\C=C\CBr Amb27801010 [0,2,0,0,0,0|0,0,0]=2 1963 B9R0.46 COC(=O)\C=C\C=C\CCl Amb27204912 [0,2,0,0,0,0|0,0,0]=2 1964 B9R0.46 COC(=O)\C=C\CCSC Amb27855319 [0,2,0,0,0,0|0,0,2]=4 1965 B9R0.46 C\C(=C/C=C/C=C/Cl)CO Amb27432930 [0,2,0,0,0,0|1,0,1]=4 1966 B9R0.46 C\C=C\C=C\C=C(/C)CO Amb27452066 [0,2,0,0,0,0|1,0,0]=3 1967 B9R0.46 C\C=C\CNCC(=O)OC Amb27263471 [0,2,0,0,0,0|0,0,2]=4 1968 B9R0.46 C\C=C\C\C=C\C(=O)OC Amb27422431 [0,2,0,0,0,0|0,0,0]=2 1969 B9R0.46 OC\C=C\C=C\C(O)CO Amb27969508 [0,2,0,0,0,0|0,0,2]=4 1970 B9R0.47 C#C\C=C\C=C(/C)C(=O)O Amb27467451 [0,2,0,0,0,0|0,0,1]=3 1971 B9R0.47 C=C(\C=C\CCC)C(=O)O Amb33424829 [0,2,0,0,0,0|0,0,1]=3 1972 B9R0.47 C=C\C=C\CC(N)C(=O)O Amb18643715 [0,2,0,0,0,0|0,0,2]=4 1973 B9R0.47 CC(=O)\C(C)=C\C=C\C=O Amb27491634 [0,2,0,0,0,0|1,0,1]=4 1974 B9R0.47 CCC=C=C[C@H](C)C(=O)O Amb27494026 [0,2,0,0,0,0|0,0,2]=4 1975 B9R0.47 CCCC\C=C(/Br)C(=O)O Amb27615132 [0,2,0,0,0,0|0,0,2]=4 1976 B9R0.47 CCCC\C=C(\C)C(=O)O Amb27637394 [0,2,0,0,0,0|0,0,2]=4 1977 B9R0.47 CCCC\C=C(\F)C(=O)O Amb28197633 [0,2,0,0,0,0|0,0,2]=4 1978 B9R0.47 CCC\C=C\C(=O)C(C)=O Amb25255453 [0,2,0,0,0,0|1,0,1]=4 1979 B9R0.47 CCC\C=C\C(C)C(=O)O Amb33449140 [0,2,0,0,0,0|0,0,2]=4 1980 B9R0.47 CCC\C=C\C(O)C(=O)O Amb32668856 [0,2,0,0,0,0|0,0,2]=4 1981 B9R0.47 CCC\C=C\[C@@H](N)C(=O)O Amb27230868 [0,2,0,0,0,0|0,0,2]=4 1982 B9R0.47 CCNC\C=C(\C)C(=O)O Amb27630213 [0,2,0,0,0,0|0,0,2]=4 1983 B9R0.47 CCOC\C=C(\C)C(=O)O Amb27877295 [0,2,0,0,0,0|0,0,2]=4 1984 B9R0.47 CCO\C=C\C(=O)C(C)=O Amb32644748 [0,2,0,0,0,0|1,0,1]=4 1985 B9R0.47 CC\C=C\C=C(/C)C(=O)O Amb27191513 [0,2,0,0,0,0|0,0,0]=2 1986 B9R0.47 CC\C=C\CC(=O)C(=O)O Amb33268699 [0,2,0,0,0,0|0,0,1]=3 1987 B9R0.47 CC\C=C\CC(C)C(=O)O Amb27838058 [0,2,0,0,0,0|0,0,2]=4 1988 B9R0.47 CC\C=C\CC(N)C(=O)O Amb25255710 [0,2,0,0,0,0|0,0,2]=4 1989 B9R0.47 CC\C=C\CC(N)C(=O)O Amb30666656 [0,2,0,0,0,0|0,0,2]=4 1990 B9R0.47 CN\C=C\C=C(/C)C(N)=O Amb28041923 [0,2,0,0,0,0|1,0,0]=3 1991 B9R0.47 CONC\C=C(\C)C(=O)O Amb27403129 [0,2,0,0,0,0|1,0,1]=4 1992 B9R0.47 CO\C=C\CC(O)C(=O)O Amb28050044 [0,2,0,0,0,0|0,0,2]=4 1993 B9R0.47 CSCC\C=C(\C)C(=O)O Amb27449576 [0,2,0,0,0,0|0,0,2]=4 1994 B9R0.47 C\C(=C/C=C/CO)C(=O)O Amb27600926 [0,2,0,0,0,0|0,0,0]=2 1995 B9R0.47 C\C(=C/CCCCl)C(=O)O Amb27203326 [0,2,0,0,0,0|0,0,2]=4 1996 B9R0.47 C\C(=C/CNC=O)C(=O)O Amb35584802 [0,2,0,0,0,0|1,0,1]=4 1997 B9R0.47 C\C=C/CCC(=O)C(C)=O Amb27591550 [0,2,0,0,0,0|1,0,1]=4 1998 B9R0.47 C\C=C\C=C\C(=O)C(Cl)Cl Amb27975400 [0,2,0,0,0,0|1,0,0]=3 1999 B9R0.47 C\C=C\C=C\C(=O)N(C)C Amb30876901 [0,2,0,0,0,0|1,0,0]=3 2000 B9R0.47 C\C=C\C=C\C(O)C(C)O Amb27190820 [0,2,0,0,0,0|0,0,2]=4 2001 B9R0.47 C\C=C\C=C\C(O)C(Cl)Cl Amb27637692 [0,2,0,0,0,0|1,0,1]=4 2002 B9R0.47 C\C=C\C=C\[C@@H](C)C(=O)O Amb27494045 [0,2,0,0,0,0|0,0,0]=2 2003 B9R0.47 C\C=C\CCC(C)C(=O)O Amb27461427 [0,2,0,0,0,0|0,0,2]=4 2004 B9R0.47 C\C=C\CCC(N)C(=O)O Amb27770583 [0,2,0,0,0,0|0,0,2]=4 2005 B9R0.47 C\C=C\CN[C@@H](C)C(=O)O Amb27601181 [0,2,0,0,0,0|0,0,2]=4 2006 B9R0.47 C\C=C\CN[C@H](C)C(=O)O Amb27440981 [0,2,0,0,0,0|0,0,2]=4 2007 B9R0.47 C\C=C\COC(=O)C(C)=O Amb24595039 [0,2,0,0,0,0|1,0,1]=4 2008 B9R0.47 C\C=C\CO[C@@H](C)C(=O)O Amb27426114 [0,2,0,0,0,0|0,0,2]=4 2009 B9R0.47 C\C=C\CO[C@H](C)C(=O)O Amb28384040 [0,2,0,0,0,0|0,0,2]=4 2010 B9R0.47 NC(C\C=C/CO)C(=O)O Amb28046143 [0,2,0,0,0,0|0,0,2]=4 2011 B9R0.47 NC\C=C\CC(N)C(=O)O Amb22800680 [0,2,0,0,0,0|0,0,2]=4 2012 B9R0.47 N[C@H](\C=C\CCO)C(=O)O Amb24603441 [0,2,0,0,0,0|0,0,2]=4 2013 B9R0.47 O=C\C=C/C=C(\O)C(=O)O Amb27615135 [0,2,0,0,0,0|0,0,1]=3 2014 B9R0.47 O=C\C=C/CC(=O)C(=O)O Amb28073026 [0,2,0,0,0,0|1,0,0]=3 2015 B9R0.47 O=C\C=C\C=C(/O)C(=O)O Amb18643785 [0,2,0,0,0,0|0,0,1]=3 2016 B9R0.2 C=C(C)\C=C\C=C\CCC Amb22641687 [0,2,0,0,0,0|2,0,0]=4 2017 B9R0.2 C=CCC=C=CCC(=O)O Amb27882289 [0,2,0,0,0,0|0,0,2]=4 2018 B9R0.2 C=CCCN\C=C\C(=O)O Amb27474278 [0,2,0,0,0,0|0,0,2]=4 2019 B9R0.2 C=CCC\C=C\CC(=O)O Amb18643551 [0,2,0,0,0,0|0,0,2]=4 2020 B9R0.2 C=CC\C=C\CCC(=O)O Amb18643540 [0,2,0,0,0,0|0,0,2]=4 2021 B9R0.2 C=C\C=C\C=C\CC(C)=O Amb27823042 [0,2,0,0,0,0|1,0,1]=4 2022 B9R0.2 C=C\C=C\C=N\NC(N)=O Amb27629649 [0,2,0,0,0,0|1,0,1]=4 2023 B9R0.2 CC(=O)N\C=C\C=C\C=O Amb27881539 [0,2,0,0,0,0|1,0,1]=4 2024 B9R0.2 CC(=O)O\C=C\C=C\CO Amb28453851 [0,2,0,0,0,0|1,0,0]=3 2025 B9R0.2 CC(=O)\C=C\C=C/C=C=O Amb27839053 [0,2,0,0,0,0|1,0,1]=4 2026 B9R0.2 CC(=O)\C=C\C=C\C=C=O Amb27878921 [0,2,0,0,0,0|1,0,1]=4 2027 B9R0.2 CC(=O)\C=C\C=C\C=C\Cl Amb28125315 [0,2,0,0,0,0|1,0,1]=4 2028 B9R0.2 CCCC#C\C=C/C(=O)O Amb27435469 [0,2,0,0,0,0|0,0,2]=4 2029 B9R0.2 CCCC#C\C=C\C(=O)O Amb27202812 [0,2,0,0,0,0|0,0,2]=4 2030 B9R0.2 CCCC=C=CCC(=O)O Amb27814505 [0,2,0,0,0,0|0,0,2]=4 2031 B9R0.2 CCCCC=C=CC(=O)O Amb17593544 [0,2,0,0,0,0|0,0,2]=4 2032 B9R0.2 CCCC\C=C\CC(=O)O Amb6297257 [0,2,0,0,0,0|0,0,2]=4 2033 B9R0.2 CCC\C=C/C=C/C(C)=O Amb28291455 [0,2,0,0,0,0|1,0,0]=3 2034 B9R0.2 CCC\C=C/CCC(=O)O Amb26566880 [0,2,0,0,0,0|0,0,2]=4 2035 B9R0.2 CCC\C=C\C=C\C(=O)O Amb32953792 [0,2,0,0,0,0|0,0,0]=2 2036 B9R0.2 CCC\C=C\C=C\C(C)=O Amb33079035 [0,2,0,0,0,0|1,0,0]=3 2037 B9R0.2 CCC\C=C\C=C\C(N)=O Amb28369023 [0,2,0,0,0,0|1,0,0]=3 2038 B9R0.2 CCC\C=C\C=C\[N+](=O)[O-] Amb33424826 [0,2,0,0,0,0|1,0,1]=4 2039 B9R0.2 CCC\C=C\CCC(=O)O Amb25378821 [0,2,0,0,0,0|0,0,2]=4 2040 B9R0.2 CCS\C=C\C=C\C(=O)O Amb27471801 [0,2,0,0,0,0|0,0,0]=2 2041 B9R0.2 CC\C=C\CNCC(=O)O Amb27422845 [0,2,0,0,0,0|0,0,2]=4 2042 B9R0.2 CC\C=C\C\C=C\C(C)=O Amb27226161 [0,2,0,0,0,0|1,0,0]=3 2043 B9R0.2 CNCCS\C=C\C(=O)O Amb27471288 [0,2,0,0,0,0|0,0,2]=4 2044 B9R0.2 COCC#C\C=C/C(=O)O Amb27450580 [0,2,0,0,0,0|0,0,2]=4 2045 B9R0.2 COCCS\C=C\C(=O)O Amb28398936 [0,2,0,0,0,0|0,0,2]=4 2046 B9R0.2 COC\C=C\C=C\C(=O)O Amb28058297 [0,2,0,0,0,0|0,0,0]=2 2047 B9R0.2 CO\C=C\C=C\CC(=O)O Amb27874074 [0,2,0,0,0,0|0,0,0]=2 2048 B9R0.2 CSCCN\C=C\C(=O)O Amb27864234 [0,2,0,0,0,0|0,0,2]=4 2049 B9R0.2 C\C=C/C#CC#CC(=O)O Amb28073185 [0,2,0,0,0,0|0,0,2]=4 2050 B9R0.2 C\C=C\C#CC#CC(=O)O Amb27846308 [0,2,0,0,0,0|0,0,2]=4 2051 B9R0.2 C\C=C\C=C\C#CC(=O)O Amb17593444 [0,2,0,0,0,0|0,0,0]=2 2052 B9R0.2 C\C=C\C=C\C=C\C(=O)O Amb3987814 [0,2,0,0,0,0|0,0,0]=2 2053 B9R0.2 C\C=C\C=C\C=C\C(N)=O Amb27202742 [0,2,0,0,0,0|1,0,0]=3 2054 B9R0.2 C\C=C\C=C\CCC(=O)O Amb18643576 [0,2,0,0,0,0|0,0,0]=2 2055 B9R0.2 C\C=C\C=C\CNC(C)=O Amb27827731 [0,2,0,0,0,0|1,0,0]=3 2056 B9R0.2 C\C=C\C=C\COC(C)=O Amb4035104 [0,2,0,0,0,0|1,0,0]=3 2057 B9R0.2 C\C=C\C=C\COC(N)=O Amb27968532 [0,2,0,0,0,0|1,0,0]=3 2058 B9R0.2 C\C=C\CCCCC(=O)O Amb18643887 [0,2,0,0,0,0|0,0,2]=4 2059 B9R0.2 C\C=C\CCOCC(=O)O Amb28340908 [0,2,0,0,0,0|0,0,2]=4 2060 B9R0.2 NCCCS\C=C\C(=O)O Amb27837837 [0,2,0,0,0,0|0,0,2]=4 2061 B9R0.2 O=C(O)CCC\C=C/CO Amb27425001 [0,2,0,0,0,0|0,0,2]=4 2062 B9R0.2 O=C(O)\C=C\CC#CCBr Amb24393543 [0,2,0,0,0,0|0,0,2]=4 2063 B9R0.2 O=C(O)\C=C\CCCCCl Amb18645743 [0,2,0,0,0,0|0,0,2]=4 2064 B9R0.2 O=C(O)\C=C\CSCCO Amb27205770 [0,2,0,0,0,0|0,0,2]=4 2065 B9R0.2 O=COC\C=C\CC(=O)O Amb27619648 [0,2,0,0,0,0|1,0,1]=4 2066 B9R0.38 C\C=C\C=C\CS(=O)(=O)Cl Amb32729360 [0,2,0,0,0,0|1,0,1]=4 2067 B9R0.38 C\C=C\C=C\CS(=O)(=O)F Amb32717647 [0,2,0,0,0,0|1,0,1]=4 2068 B9R0.48 C=C=CC(N)\C=C\C(=O)O Amb25261307 [0,2,0,0,0,0|0,0,2]=4 2069 B9R0.48 C=CCC(O)\C=C\C(=O)O Amb27620632 [0,2,0,0,0,0|0,0,2]=4 2070 B9R0.48 C=CCN(C)\C=C\C(=O)O Amb27422117 [0,2,0,0,0,0|0,0,2]=4 2071 B9R0.48 C=COC(=O)\C=C/C(=O)O Amb28341819 [0,2,0,0,0,0|0,0,1]=3 2072 B9R0.48 C=COC(=O)\C=C/C(N)=O Amb27164316 [0,2,0,0,0,0|1,0,1]=4 2073 B9R0.48 CC(=C\C=O)\C=C\C(=O)O Amb27210491 [0,2,0,0,0,0|0,0,1]=3 2074 B9R0.48 CC(=O)\C=C\C(C)=C\C=O Amb27445134 [0,2,0,0,0,0|1,0,1]=4 2075 B9R0.48 CC(\C=C\B(O)O)=C/CO Amb25715979 [0,2,0,0,0,0|1,0,1]=4 2076 B9R0.48 CC(\C=C\C(=O)O)=C/C=O Amb27215348 [0,2,0,0,0,0|0,0,1]=3 2077 B9R0.48 CC(\C=C\C(=O)O)CCO Amb27646330 [0,2,0,0,0,0|0,0,2]=4 2078 B9R0.48 CCCC(C)\C=C\C(=O)O Amb33474963 [0,2,0,0,0,0|0,0,2]=4 2079 B9R0.48 CCCC(O)\C=C\C(=O)O Amb27790698 [0,2,0,0,0,0|0,0,2]=4 2080 B9R0.48 CCC[C@@H](O)\C=C\C(=O)O Amb27961045 [0,2,0,0,0,0|0,0,2]=4 2081 B9R0.48 CCNC(=O)\C=C/C(=O)O Amb1235096 [0,2,0,0,0,0|0,0,1]=3 2082 B9R0.48 CCNC(=O)\C=C\C(=O)O Amb9251696 [0,2,0,0,0,0|0,0,1]=3 2083 B9R0.48 CCNC(=O)\C=C\C(C)=O Amb26390897 [0,2,0,0,0,0|1,0,1]=4 2084 B9R0.48 CCOC(=O)\C=C/C(=O)O Amb24462678 [0,2,0,0,0,0|0,0,1]=3 2085 B9R0.48 CCOC(=O)\C=C\C(=O)Cl Amb20620668 [0,2,0,0,0,0|1,0,1]=4 2086 B9R0.48 CCOC(=O)\C=C\C(=O)O Amb2189151 [0,2,0,0,0,0|0,0,1]=3 2087 B9R0.48 CCOC(=O)\C=C\C(=O)[O-] Amb33512916 [0,2,0,0,0,0|0,0,2]=4 2088 B9R0.48 CCOC(=O)\C=C\C(C)=O Amb3428594 [0,2,0,0,0,0|1,0,1]=4 2089 B9R0.48 CCOC(C)\C=C\C(=O)O Amb33425399 [0,2,0,0,0,0|0,0,2]=4 2090 B9R0.48 CCSC(=O)\C=C/C(C)=O Amb28126634 [0,2,0,0,0,0|1,0,1]=4 2091 B9R0.48 CC\C=C(/C)CCC(=O)O Amb27832037 [0,2,0,0,0,0|0,0,2]=4 2092 B9R0.48 CC\C=C(C)/C=C/C(C)=O Amb27861011 [0,2,0,0,0,0|1,0,0]=3 2093 B9R0.48 CC\C=C(\C)CCC(=O)O Amb27811548 [0,2,0,0,0,0|0,0,2]=4 2094 B9R0.48 CONC(=O)\C=C/C(=O)O Amb27855758 [0,2,0,0,0,0|1,0,0]=3 2095 B9R0.48 C[C@H](\C=C\C(=O)O)CCO Amb28050109 [0,2,0,0,0,0|0,0,2]=4 2096 B9R0.48 C\C(=C/CO)CCC(=O)O Amb27630663 [0,2,0,0,0,0|0,0,2]=4 2097 B9R0.48 C\C=C/C(C)\C=C\C(C)=O Amb27434173 [0,2,0,0,0,0|1,0,0]=3 2098 B9R0.48 C\C=C\C(=O)CC=C(C)C Amb25878661 [0,2,0,0,0,0|2,0,0]=4 2099 B9R0.48 C\C=C\C(=O)NCC(=O)O Amb9719598 [0,2,0,0,0,0|0,0,1]=3 2100 B9R0.48 C\C=C\C(=O)NNC(C)=O Amb28136439 [0,2,0,0,0,0|2,0,0]=4 2101 B9R0.48 C\C=C\C(=O)OCC(C)=O Amb26627032 [0,2,0,0,0,0|1,0,1]=4 2102 B9R0.48 C\C=C\C(=O)SCC(=O)O Amb27400187 [0,2,0,0,0,0|0,0,1]=3 2103 B9R0.48 C\C=C\C(=O)\C=C\C(C)O Amb28202050 [0,2,0,0,0,0|1,0,1]=4 2104 B9R0.48 C\C=C\C(C)\C=C/C(=O)O Amb27468642 [0,2,0,0,0,0|0,0,0]=2 2105 B9R0.48 C\C=N\C(=O)CCC(=O)O Amb27217285 [0,2,0,0,0,0|0,0,2]=4 2106 B9R0.48 N#CNC(=O)\C=C\C(=O)O Amb27488773 [0,2,0,0,0,0|1,0,1]=4 2107 B9R0.48 NC(\C=C/C(=O)O)=C\C=O Amb27450259 [0,2,0,0,0,0|0,0,1]=3 2108 B9R0.48 O=C(O)\C=C\C(=O)NCO Amb28346249 [0,2,0,0,0,0|1,0,0]=3 2109 B9R0.48 O=CNC(=O)\C=C/C(=O)O Amb28313728 [0,2,0,0,0,0|1,0,0]=3 2110 B9R0.48 [N-]=[N+]=NC(=O)\C=C\C(=O)O Amb25095727 [0,2,0,0,0,0|2,0,0]=4 2111 B9R0.55 C=C(C)C#C\C=C/C(=O)O Amb27630707 [0,2,0,0,0,0|0,0,1]=3 2112 B9R0.55 C=C(C)CC\C=C\C(=O)O Amb27253611 [0,2,0,0,0,0|0,0,1]=3 2113 B9R0.55 C=C(C)CO\C=C\C(=O)O Amb18643826 [0,2,0,0,0,0|0,0,1]=3 2114 B9R0.55 C=C(C)\C=C\CCC(C)=O Amb26484309 [0,2,0,0,0,0|1,0,1]=4 2115 B9R0.55 CC(=O)CC\C=C\C(=O)O Amb17593589 [0,2,0,0,0,0|0,0,1]=3 2116 B9R0.55 CC(=O)C\C=C\C=C(C)C Amb24646499 [0,2,0,0,0,0|1,0,0]=3 2117 B9R0.55 CC(=O)NC\C=C\C(=O)O Amb27259093 [0,2,0,0,0,0|0,0,1]=3 2118 B9R0.55 CC(=O)N\C=C/CC(N)=O Amb27214099 [0,2,0,0,0,0|1,0,1]=4 2119 B9R0.55 CC(=O)N\C=C/NC(C)=O Amb27424993 [0,2,0,0,0,0|2,0,0]=4 2120 B9R0.55 CC(=O)N\C=C\NC(C)=O Amb27468649 [0,2,0,0,0,0|2,0,0]=4 2121 B9R0.55 CC(=O)OC\C=C\C(=O)O Amb24454652 [0,2,0,0,0,0|0,0,1]=3 2122 B9R0.55 CC(=O)\C=C/C=C/C(C)=O Amb25877456 [0,2,0,0,0,0|1,0,0]=3 2123 B9R0.55 CC(=O)\C=C\C=C\C(=O)O Amb27205327 [0,2,0,0,0,0|0,0,0]=2 2124 B9R0.55 CC(=O)\C=C\C=C\C(C)C Amb27615126 [0,2,0,0,0,0|1,0,0]=3 2125 B9R0.55 CC(C)=CCOCC(=O)O Amb18644115 [0,2,0,0,0,0|0,0,2]=4 2126 B9R0.55 CC(C)=CC\C=C\[C@H](C)O Amb27197150 [0,2,0,0,0,0|1,0,1]=4 2127 B9R0.55 CC(C)=C\C=C/C=C(C)C Amb22641704 [0,2,0,0,0,0|2,0,0]=4 2128 B9R0.55 CC(C)=C\C=C\CC(=O)O Amb27473342 [0,2,0,0,0,0|0,0,0]=2 2129 B9R0.55 CC(C)C#C\C=C/C(=O)O Amb27392234 [0,2,0,0,0,0|0,0,2]=4 2130 B9R0.55 CC(C)C=C=CCC(=O)O Amb27952365 [0,2,0,0,0,0|0,0,2]=4 2131 B9R0.55 CC(C)CC\C=C\C(=O)O Amb17593603 [0,2,0,0,0,0|0,0,2]=4 2132 B9R0.55 CC(C)NC\C=C\C(=O)O Amb27601688 [0,2,0,0,0,0|0,0,2]=4 2133 B9R0.55 CC(C)OC\C=C\C(=O)O Amb33475206 [0,2,0,0,0,0|0,0,2]=4 2134 B9R0.55 CC(C)SC\C=C\C(=O)O Amb19020662 [0,2,0,0,0,0|0,0,2]=4 2135 B9R0.55 CC(C)\C=C\C=C\C(=O)O Amb25367977 [0,2,0,0,0,0|0,0,0]=2 2136 B9R0.55 CC(C)\C=C\C=C\C(N)=O Amb28435289 [0,2,0,0,0,0|1,0,0]=3 2137 B9R0.55 CC(N)CS\C=C\C(=O)O Amb27772740 [0,2,0,0,0,0|0,0,2]=4 2138 B9R0.55 CC(O)C#C\C=C\C(=O)O Amb27961415 [0,2,0,0,0,0|0,0,2]=4 2139 B9R0.55 CC(O)\C=C\CCC(=O)O Amb24453133 [0,2,0,0,0,0|0,0,2]=4 2140 B9R0.55 CN(C)CC\C=C/C(=O)O Amb27815066 [0,2,0,0,0,0|0,0,2]=4 2141 B9R0.55 CN(C)CC\C=C\C(=O)O Amb32954654 [0,2,0,0,0,0|0,0,2]=4 2142 B9R0.55 CS(=O)NC\C=C\C(=O)O Amb28195221 [0,2,0,0,0,0|1,0,1]=4 2143 B9R0.55 C\C(Br)=C/CCCC(=O)O Amb27798317 [0,2,0,0,0,0|0,0,2]=4 2144 B9R0.55 C\C(Cl)=C/CSCC(=O)O Amb27865640 [0,2,0,0,0,0|0,0,2]=4 2145 B9R0.55 C\C(O)=C\C=C\C=C(/C)O Amb26446577 [0,2,0,0,0,0|1,0,0]=3 2146 B9R0.55 NC(=O)NC\C=C\C(=O)O Amb27817537 [0,2,0,0,0,0|1,0,1]=4 2147 B9R0.55 NC(=O)\C=C\C=C\C(=O)O Amb27251699 [0,2,0,0,0,0|0,0,1]=3 2148 B9R0.55 O=C(O)C\C=C\CC(=O)O Amb4037278 [0,2,0,0,0,0|1,0,1]=4 2149 B9R0.55 O=C(O)\C=C/C=C\C(=O)O Amb8515202 [0,2,0,0,0,0|0,0,1]=3 2150 B9R0.55 O=C(O)\C=C\C=C\C(=O)O Amb31285477 [0,2,0,0,0,0|0,0,1]=3 2151 B9R0.55 O=C(O)\C=C\CCC(=O)O Amb20622952 [0,2,0,0,0,0|1,0,1]=4 2152 B9R0.55 O=C(O)\C=C\SCC(=O)O Amb18645625 [0,2,0,0,0,0|1,0,1]=4 2153 B9R0.7 C=C(C)C(=O)NCC(=O)O Amb16232088 [0,2,0,0,0,0|1,0,1]=4 2154 B9R0.7 C=C(C)C(=O)OCC(=O)O Amb18644056 [0,2,0,0,0,0|1,0,1]=4 2155 B9R0.7 C=C(C)C(C)\C=C\C(C)=O Amb26010606 [0,2,0,0,0,0|1,0,1]=4 2156 B9R0.7 C=C(C)CCC(=C)C(=O)O Amb28047421 [0,2,0,0,0,0|0,0,2]=4 2157 B9R0.7 C=C(C)\C(C)=C\CC(C)=O Amb27434176 [0,2,0,0,0,0|1,0,1]=4 2158 B9R0.7 C=C(CCC(=O)O)C(C)=O Amb27814984 [0,2,0,0,0,0|0,0,2]=4 2159 B9R0.7 C=C(C\C=C(/C)Cl)C(C)=O Amb27489726 [0,2,0,0,0,0|1,0,1]=4 2160 B9R0.7 C=C(O)\C(Br)=C\C=C(Cl)Cl Amb4012509 [0,2,0,0,0,0|2,0,0]=4 2161 B9R0.7 CC(=C=CC(=O)O)C(=O)O Amb17593578 [0,2,0,0,0,0|1,0,1]=4 2162 B9R0.7 CC(=O)C(=O)NCC(=O)O Amb17593639 [0,2,0,0,0,0|1,0,1]=4 2163 B9R0.7 CC(=O)C(=O)OCC(=O)O Amb28126708 [0,2,0,0,0,0|1,0,1]=4 2164 B9R0.7 CC(=O)C(=O)\C=C\C(=O)O Amb27803733 [0,2,0,0,0,0|0,0,0]=2 2165 B9R0.7 CC(=O)C(=O)\C=C\N(C)C Amb33291070 [0,2,0,0,0,0|2,0,0]=4 2166 B9R0.7 CC(=O)CNC(=O)C(=O)O Amb24480846 [0,2,0,0,0,0|1,0,1]=4 2167 B9R0.7 CC(=O)C\C=C(/C)C(C)=O Amb27264520 [0,2,0,0,0,0|1,0,1]=4 2168 B9R0.7 CC(=O)O\C=C(\C)C(C)=O Amb25961809 [0,2,0,0,0,0|2,0,0]=4 2169 B9R0.7 CC(=O)O\C=C(\F)C(=O)O Amb27236545 [0,2,0,0,0,0|1,0,0]=3 2170 B9R0.7 CC(=O)O\N=C(/C)C(=O)O Amb27473311 [0,2,0,0,0,0|2,0,0]=4 2171 B9R0.7 CC(=O)\C(C)=C\C=C(Cl)Cl Amb26392085 [0,2,0,0,0,0|2,0,0]=4 2172 B9R0.7 CC(=O)\C(C)=C\NC(N)=O Amb27849656 [0,2,0,0,0,0|2,0,0]=4 2173 B9R0.7 CC(=O)\C=C\C(=O)N(C)C Amb24415333 [0,2,0,0,0,0|2,0,0]=4 2174 B9R0.7 CC(=O)\C=C\C(C)=C(C)C Amb26841996 [0,2,0,0,0,0|1,0,0]=3 2175 B9R0.7 CC(=O)\C=C\C(C)=C(Cl)Cl Amb27835618 [0,2,0,0,0,0|2,0,0]=4 2176 B9R0.7 CC(=O)\C=C\C(F)=C(C)C Amb27490297 [0,2,0,0,0,0|1,0,0]=3 2177 B9R0.7 CC(Br)C(Br)\C=C\C(=O)O Amb22347457 [0,2,0,0,0,0|0,0,2]=4 2178 B9R0.7 CC(C)=C(C)\C=C\C(=O)O Amb18643593 [0,2,0,0,0,0|0,0,0]=2 2179 B9R0.7 CC(C)=CCC(C)C(=O)O Amb18643879 [0,2,0,0,0,0|0,0,2]=4 2180 B9R0.7 CC(C)=CCC(N)C(=O)O Amb6276273 [0,2,0,0,0,0|0,0,2]=4 2181 B9R0.7 CC(C)=CC[C@@H](N)C(=O)O Amb27254062 [0,2,0,0,0,0|0,0,2]=4 2182 B9R0.7 CC(C)=CC[C@H](N)C(=O)O Amb25836895 [0,2,0,0,0,0|0,0,2]=4 2183 B9R0.7 CC(C)=C\C=C(/C)C(=O)O Amb27210759 [0,2,0,0,0,0|0,0,0]=2 2184 B9R0.7 CC(C)=C\C=C(/C)C(N)=O Amb4035443 [0,2,0,0,0,0|1,0,0]=3 2185 B9R0.7 CC(C)=C\C=C(/F)C(=O)O Amb28050050 [0,2,0,0,0,0|0,0,0]=2 2186 B9R0.7 CC(C)C(=O)\C=C\C(=O)O Amb25117573 [0,2,0,0,0,0|0,0,1]=3 2187 B9R0.7 CC(C)C\C=C(/F)C(=O)O Amb18124770 [0,2,0,0,0,0|0,0,2]=4 2188 B9R0.7 CC(C)N(C)\C=C\C(=O)O Amb27768790 [0,2,0,0,0,0|1,0,1]=4 2189 B9R0.7 CC(C)S(=O)\C=C\C(=O)O Amb27166984 [0,2,0,0,0,0|1,0,1]=4 2190 B9R0.7 CC(O)C(C)\C=C\C(=O)O Amb27759324 [0,2,0,0,0,0|0,0,2]=4 2191 B9R0.7 CC(O)\C=C\C(C)C(=O)O Amb28246267 [0,2,0,0,0,0|0,0,2]=4 2192 B9R0.7 CN(C)C(=O)\C=C/C(=O)O Amb2967257 [0,2,0,0,0,0|1,0,0]=3 2193 B9R0.7 CN(C)C(=O)\C=C\C(=O)O Amb34913235 [0,2,0,0,0,0|1,0,0]=3 2194 B9R0.7 CN(C)C(=O)\C=C\C(N)=O Amb28132660 [0,2,0,0,0,0|2,0,0]=4 2195 B9R0.7 CN(C)\C=C\C(=O)C(=O)O Amb27615648 [0,2,0,0,0,0|1,0,0]=3 2196 B9R0.7 C[C@@H](O)[C@@H](O)\C=C\C(=O)O Amb28067737 [0,2,0,0,0,0|0,0,2]=4 2197 B9R0.7 C[C@H](Br)[C@H](O)\C=C\C(=O)O Amb27751397 [0,2,0,0,0,0|0,0,2]=4 2198 B9R0.7 C[C@H](O)[C@@H](C)\C=C\C(=O)O Amb28239463 [0,2,0,0,0,0|0,0,2]=4 2199 B9R0.7 C[C@H](O)\C=C\[C@@H](C)C(=O)O Amb27617100 [0,2,0,0,0,0|0,0,2]=4 2200 B9R0.7 C\C(=C/CC(=O)O)C(=O)O Amb27214024 [0,2,0,0,0,0|1,0,1]=4 2201 B9R0.7 C\C(=C/CC(=O)O)C(C)C Amb25866328 [0,2,0,0,0,0|0,0,2]=4 2202 B9R0.7 C\C(=C/CC(C)C)C(=O)O Amb27815070 [0,2,0,0,0,0|0,0,2]=4 2203 B9R0.7 C\C(=C/C[C@@H](C)O)C(=O)O Amb27254118 [0,2,0,0,0,0|0,0,2]=4 2204 B9R0.7 C\C(=C\CC(=O)O)C(=O)O Amb25960751 [0,2,0,0,0,0|1,0,1]=4 2205 B9R0.7 C\C(=C\CC(C)C)C(=O)O Amb27203321 [0,2,0,0,0,0|0,0,2]=4 2206 B9R0.7 C\C(Cl)=C/CC(Cl)C(=O)O Amb27212547 [0,2,0,0,0,0|0,0,2]=4 2207 B9R0.7 C\C(Cl)=C\CC(Cl)C(=O)O Amb17594711 [0,2,0,0,0,0|0,0,2]=4 2208 B9R0.7 C\C(F)=C/C[C@H](N)C(=O)O Amb27205690 [0,2,0,0,0,0|0,0,2]=4 2209 B9R0.7 NC(=O)N\C=C(/F)C(=O)O Amb17614482 [0,2,0,0,0,0|2,0,0]=4 2210 B9R0.7 NC(=O)\C=C\C(Cl)=C(Cl)Cl Amb27268541 [0,2,0,0,0,0|2,0,0]=4 2211 B9R0.7 O=C(O)C\C=C(/Cl)C(=O)O Amb27863082 [0,2,0,0,0,0|1,0,1]=4 2212 B9R0.7 O=C(O)\C=C\C(=O)C(=O)O Amb27214257 [0,2,0,0,0,0|1,0,0]=3 2213 B9R0.7 O=C(O)\C=C\C(Cl)=C(Cl)Cl Amb24452138 [0,2,0,0,0,0|1,0,0]=3 2214 B9R0.13 C=C\C(=C\CCC)C(=O)O Amb27778746 [0,2,0,0,0,0|0,0,2]=4 2215 B9R0.13 CCC\C=C(/C#N)C(=O)O Amb3987806 [0,2,0,0,0,0|0,0,2]=4 2216 B9R0.13 CCC\C=C(/CC)C(=O)O Amb25228438 [0,2,0,0,0,0|0,0,2]=4 2217 B9R0.13 CCC\C=C(\C#N)C(=O)O Amb27244683 [0,2,0,0,0,0|0,0,2]=4 2218 B9R0.13 CCO\C=C(/C#N)C(=O)O Amb25887588 [0,2,0,0,0,0|1,0,1]=4 2219 B9R0.13 CCO\C=C(\C#N)C(=O)O Amb10799213 [0,2,0,0,0,0|1,0,1]=4 2220 B9R0.13 CCO\C=C(\OC)C(=O)O Amb28057663 [0,2,0,0,0,0|1,0,1]=4 2221 B9R0.13 CC\C=C\C(CC)C(=O)O Amb33080288 [0,2,0,0,0,0|0,0,2]=4 2222 B9R0.13 CC\C=C\C(CN)C(=O)O Amb33268709 [0,2,0,0,0,0|0,0,2]=4 2223 B9R0.13 C\C=C\C=C(/C#N)C(=O)O Amb18643121 [0,2,0,0,0,0|0,0,0]=2 2224 B9R0.13 C\C=C\C=C(/C#N)C(N)=O Amb27488725 [0,2,0,0,0,0|1,0,0]=3 2225 B9R0.13 C\C=C\C=C(/CC)C(=O)O Amb18643598 [0,2,0,0,0,0|0,0,0]=2 2226 B9R0.13 C\C=C\C=C(\CC)C(=O)O Amb27419854 [0,2,0,0,0,0|0,0,0]=2 2227 B9R0.13 C\C=C\CC(C#N)C(=O)O Amb35741469 [0,2,0,0,0,0|0,0,2]=4 2228 B9R0.13 C\C=C\CC(CC)C(=O)O Amb18643880 [0,2,0,0,0,0|0,0,2]=4 2229 B9R0.13 C\C=C\CC(OC)C(=O)O Amb18644117 [0,2,0,0,0,0|0,0,2]=4 2230 B9R0.13 C\C=C\C[C@H](OC)C(=O)O Amb27230104 [0,2,0,0,0,0|0,0,2]=4 2231 B9R0.13 C\C=C\C\C(=N/O)C(=O)O Amb28050089 [0,2,0,0,0,0|0,0,1]=3 2232 B9R0.42 C=C(CC(=O)NC)C(=O)O Amb22269311 [0,2,0,0,0,0|1,0,1]=4 2233 B9R0.42 C=C(CC(=O)OC)C(=O)O Amb4035034 [0,2,0,0,0,0|1,0,1]=4 2234 B9R0.42 CC(=C/Br)\C=C(/C)C(=O)O Amb28050022 [0,2,0,0,0,0|1,0,0]=3 2235 B9R0.42 CCC(=O)\C=C(/C)C(=O)O Amb27613306 [0,2,0,0,0,0|0,0,1]=3 2236 B9R0.42 CCC(C)\C=C(/C)C(=O)O Amb18643945 [0,2,0,0,0,0|0,0,2]=4 2237 B9R0.42 CCC(C)\C=C(\C)C(=O)O Amb27837721 [0,2,0,0,0,0|0,0,2]=4 2238 B9R0.42 CC[C@H](C)\C=C(/C)C(=O)O Amb27831923 [0,2,0,0,0,0|0,0,2]=4 2239 B9R0.42 COC(=O)CC(=O)C(=O)O Amb22728219 [0,2,0,0,0,0|1,0,1]=4 2240 B9R0.42 COC(=O)\C=C(/C)C(=O)O Amb18644070 [0,2,0,0,0,0|1,0,0]=3 2241 B9R0.42 COC(=O)\C=C(/C)C(C)=O Amb20668358 [0,2,0,0,0,0|2,0,0]=4 2242 B9R0.42 COC(=O)\C=C(/N)C(N)=O Amb5725948 [0,2,0,0,0,0|2,0,0]=4 2243 B9R0.42 COC(=O)\C=C(\C)C(N)=O Amb28198152 [0,2,0,0,0,0|2,0,0]=4 2244 B9R0.42 COC(=O)\C=C(\N)C(N)=O Amb6607860 [0,2,0,0,0,0|2,0,0]=4 2245 B9R0.42 COC(C)\C=C(\C)C(=O)O Amb27432877 [0,2,0,0,0,0|1,0,1]=4 2246 B9R0.42 C\C=C(/C)C[C@H](N)C(=O)O Amb27827659 [0,2,0,0,0,0|0,0,2]=4 2247 B9R0.42 C\C=C(C)/C=C(\C)C(C)=O Amb27640694 [0,2,0,0,0,0|1,0,0]=3 2248 B9R0.42 NC(\C=C(\P)C=O)C(=O)O Amb25361040 [0,2,0,0,0,0|1,0,1]=4 2249 B9R0.51 CC\C=C\C(C)(C)C(=O)O Amb33269459 [0,2,0,0,0,0|0,0,2]=4 2250 B9R0.51 CC\C=C\C(F)(F)C(=O)O Amb33409701 [0,2,0,0,0,0|0,0,2]=4 2251 B9R0.51 CO\C=C\C(C)(C)C(=O)O Amb26568731 [0,2,0,0,0,0|1,0,1]=4 2252 B9R0.51 CS\C=C\C(C)(C)C(=O)O Amb27983718 [0,2,0,0,0,0|1,0,1]=4 2253 B9R0.51 C\C=C\CC(C)(C)C(=O)O Amb18643881 [0,2,0,0,0,0|0,0,2]=4 2254 B9R0.51 C\C=C\CC(C)(N)C(=O)O Amb27591750 [0,2,0,0,0,0|0,0,2]=4 2255 B9R0.51 C\C=C\CC(F)(Cl)C(=O)O Amb25780002 [0,2,0,0,0,0|0,0,2]=4 2256 B9R0.51 C\C=C\C[C@@](C)(F)C(=O)O Amb28050047 [0,2,0,0,0,0|0,0,2]=4 2257 B9R0.43 C=CC(C=C)=CCC(=O)O Amb28050147 [0,2,0,0,0,0|0,0,2]=4 2258 B9R0.43 CCC(\C=C\C(=O)O)CC Amb24375784 [0,2,0,0,0,0|0,0,2]=4 2259 B9R0.43 CCC(\C=C\C(=O)O)OC Amb33326095 [0,2,0,0,0,0|0,0,2]=4 2260 B9R0.43 C\C=C(/C=C/C(=O)O)CC Amb28315773 [0,2,0,0,0,0|0,0,0]=2 2261 B9R0.43 C\C=C(\C=C\C(=O)O)CC Amb18643591 [0,2,0,0,0,0|0,0,0]=2 2262 B9R0.43 C\C=C(\C=C\C(N)=O)CC Amb27593317 [0,2,0,0,0,0|1,0,0]=3 2263 B9R0.43 N#CC(\C=C\C(=O)O)=N/O Amb28050090 [0,2,0,0,0,0|1,0,1]=4 2264 B9R0.64 CC(C)(C=O)\C=C/C(=O)O Amb27473340 [0,2,0,0,0,0|1,0,1]=4 2265 B9R0.64 CCC(C)(C)\C=C\C(=O)O Amb33428990 [0,2,0,0,0,0|0,0,2]=4 2266 B9R0.64 CCP(=O)(O)\C=C\C(=O)O Amb32661617 [0,2,0,0,0,0|1,0,1]=4 2267 B9R0.64 CCS(=O)(=O)\C=C\C(=O)O Amb32665830 [0,2,0,0,0,0|1,0,1]=4 2268 B9R0.56 CC(C)(C)C=C=CC(=O)O Amb17593545 [0,2,0,0,0,0|0,0,2]=4 2269 B9R0.56 CC(C)(C)\C=C\CC(=O)O Amb24608675 [0,2,0,0,0,0|0,0,2]=4 2270 B9R0.56 CC(C)(O)C\C=C\C(=O)O Amb18644104 [0,2,0,0,0,0|0,0,2]=4 2271 B9R0.56 CS(=O)(=O)C\C=C\C(=O)O Amb33481784 [0,2,0,0,0,0|1,0,1]=4 2272 B9R0.56 C[Si](C)(C)C\C=C/C(=O)O Amb27434781 [0,2,0,0,0,0|0,1,1]=4 2273 B9R0.56 C[Si](C)(C)O\C=C\C(=O)O Amb27863599 [0,2,0,0,0,0|1,1,0]=4 2274 B7R1.2 Brc1ccc(Br)o1 Amb19651339 [1,0,0,1,0,0|2,0,0]=4 2275 B7R1.2 CC1=CNC(=O)N1 Amb20667076 [1,0,0,1,0,0|2,0,0]=4 2276 B7R1.2 CC1=COC(=O)C1 Amb27624758 [1,0,0,1,0,0|2,0,0]=4 2277 B7R1.2 CC1=COC(=O)N1 Amb27185570 [1,0,0,1,0,0|2,0,0]=4 2278 B7R1.2 CC1=CSC(=O)N1 Amb19372452 [1,0,0,1,0,0|2,0,0]=4 2279 B7R1.2 CC1=NCC(=O)O1 Amb27783804 [1,0,0,1,0,0|1,0,1]=4 2280 B7R1.2 CC1=NNC(=O)O1 Amb19957998 [1,0,0,1,0,0|2,0,0]=4 2281 B7R1.2 CC1=NSC(=O)O1 Amb22395221 [1,0,0,1,0,0|2,0,0]=4 2282 B7R1.2 CC1C=CC(=O)C1 Amb27260718 [1,0,0,1,0,0|1,0,1]=4 2283 B7R1.2 CC1C=CC(=O)O1 Amb24053964 [1,0,0,1,0,0|0,0,1]=3 2284 B7R1.2 CC1C=CC(=O)S1 Amb25746305 [1,0,0,1,0,0|0,1,1]=4 2285 B7R1.2 CN1C=CC(=O)C1 Amb28201569 [1,0,0,1,0,0|2,0,0]=4 2286 B7R1.2 C[C@@H]1C=CC(=O)C1 Amb28199837 [1,0,0,1,0,0|1,0,1]=4 2287 B7R1.2 C[C@H]1C=CC(=O)C1 Amb27262978 [1,0,0,1,0,0|1,0,1]=4 2288 B7R1.2 Cc1cc(O)cs1 Amb24523671 [1,0,0,1,0,0|2,0,0]=4 2289 B7R1.2 Cc1ccc(Br)o1 Amb10600628 [1,0,0,1,0,0|1,0,0]=3 2290 B7R1.2 Cc1ccc(Br)s1 Amb8383934 [1,0,0,1,0,0|1,1,0]=4 2291 B7R1.2 Cc1ccc(C)o1 Amb2447078 [1,0,0,1,0,0|1,0,0]=3 2292 B7R1.2 Cc1ccc(C)s1 Amb2447067 [1,0,0,1,0,0|1,1,0]=4 2293 B7R1.2 Cc1ccc(Cl)o1 Amb25242029 [1,0,0,1,0,0|1,0,0]=3 2294 B7R1.2 Cc1ccc(Cl)s1 Amb16230980 [1,0,0,1,0,0|1,1,0]=4 2295 B7R1.2 Cc1ccc(F)o1 Amb27397440 [1,0,0,1,0,0|1,0,0]=3 2296 B7R1.2 Cc1ccc(I)o1 Amb25723970 [1,0,0,1,0,0|1,0,0]=3 2297 B7R1.2 Cc1ccc(I)s1 Amb2688858 [1,0,0,1,0,0|1,1,0]=4 2298 B7R1.2 Cc1ccc(N)o1 Amb10600629 [1,0,0,1,0,0|1,0,0]=3 2299 B7R1.2 Cc1ccc(N)s1 Amb19890911 [1,0,0,1,0,0|1,1,0]=4 2300 B7R1.2 Cc1ccc(N)s1 Amb9901860 [1,0,0,1,0,0|1,1,0]=4 2301 B7R1.2 Cc1ccc(O)o1 Amb26645726 [1,0,0,1,0,0|0,0,1]=3 2302 B7R1.2 Cc1ccc(O)s1 Amb17593190 [1,0,0,1,0,0|0,1,0]=3 2303 B7R1.2 Cc1ccc(S)o1 Amb25888543 [1,0,0,1,0,0|0,1,0]=3 2304 B7R1.2 Cc1ccc(S)s1 Amb20623930 [1,0,0,1,0,0|0,2,0]=4 2305 B7R1.2 Cc1cnc(Br)o1 Amb24113164 [1,0,0,1,0,0|2,0,0]=4 2306 B7R1.2 Cc1cnc(Br)o1 Amb25861323 [1,0,0,1,0,0|2,0,0]=4 2307 B7R1.2 Cc1cnc(C)o1 Amb23399817 [1,0,0,1,0,0|2,0,0]=4 2308 B7R1.2 Cc1cnc(Cl)o1 Amb19516434 [1,0,0,1,0,0|2,0,0]=4 2309 B7R1.2 Cc1cnc(Cl)o1 Amb24117495 [1,0,0,1,0,0|2,0,0]=4 2310 B7R1.2 Cc1cnc(I)o1 Amb27757971 [1,0,0,1,0,0|2,0,0]=4 2311 B7R1.2 Cc1cnc(N)o1 Amb18277977 [1,0,0,1,0,0|2,0,0]=4 2312 B7R1.2 Cc1cnc(O)s1 Amb13884319 [1,0,0,1,0,0|1,1,0]=4 2313 B7R1.2 Cc1csc(O)c1 Amb20617904 [1,0,0,1,0,0|2,0,0]=4 2314 B7R1.2 Cc1nc(O)cs1 Amb10600550 [1,0,0,1,0,0|2,0,0]=4 2315 B7R1.2 Cc1ncc(Br)o1 Amb26978784 [1,0,0,1,0,0|2,0,0]=4 2316 B7R1.2 Cc1ncc(I)o1 Amb33803186 [1,0,0,1,0,0|2,0,0]=4 2317 B7R1.2 Cc1ncc(N)o1 Amb18061806 [1,0,0,1,0,0|2,0,0]=4 2318 B7R1.2 Cc1ncc(O)o1 Amb26530422 [1,0,0,1,0,0|1,0,1]=4 2319 B7R1.2 Cc1ncc(O)s1 Amb10599445 [1,0,0,1,0,0|1,1,0]=4 2320 B7R1.2 Clc1ccc(Br)o1 Amb28122976 [1,0,0,1,0,0|2,0,0]=4 2321 B7R1.2 Clc1ccc(I)o1 Amb24752684 [1,0,0,1,0,0|2,0,0]=4 2322 B7R1.2 Cn1ccc(O)n1 Amb22388466 [1,0,0,1,0,0|2,0,0]=4 2323 B7R1.2 Fc1ccc(Br)o1 Amb18199668 [1,0,0,1,0,0|2,0,0]=4 2324 B7R1.2 Fc1ccc(Cl)o1 Amb26862440 [1,0,0,1,0,0|2,0,0]=4 2325 B7R1.2 Fc1ccc(F)o1 Amb27634413 [1,0,0,1,0,0|2,0,0]=4 2326 B7R1.2 Nc1ccc(Br)o1 Amb13884560 [1,0,0,1,0,0|2,0,0]=4 2327 B7R1.2 Nc1ccc(Cl)o1 Amb25360216 [1,0,0,1,0,0|2,0,0]=4 2328 B7R1.2 Nc1ccc(F)o1 Amb18202898 [1,0,0,1,0,0|2,0,0]=4 2329 B7R1.2 Nc1ccc(I)o1 Amb25888418 [1,0,0,1,0,0|2,0,0]=4 2330 B7R1.2 Nc1ccc(N)o1 Amb18203063 [1,0,0,1,0,0|2,0,0]=4 2331 B7R1.2 Nc1ccc(O)o1 Amb24526005 [1,0,0,1,0,0|1,0,1]=4 2332 B7R1.2 O=C1C=CC(=O)C1 Amb22338203 [1,0,0,1,0,0|2,0,0]=4 2333 B7R1.2 O=C1C=CC(=O)N1 Amb1235242 [1,0,0,1,0,0|2,0,0]=4 2334 B7R1.2 O=C1C=CC(=O)O1 Amb20246531 [1,0,0,1,0,0|1,0,0]=3 2335 B7R1.2 O=C1C=CC(=O)O1 Amb6297783 [1,0,0,1,0,0|1,0,0]=3 2336 B7R1.2 O=C1C=CC(Br)O1 Amb22001603 [1,0,0,1,0,0|1,0,1]=4 2337 B7R1.2 O=C1C=CC(Cl)O1 Amb27760027 [1,0,0,1,0,0|1,0,1]=4 2338 B7R1.2 O=C1C=CC(F)O1 Amb27778280 [1,0,0,1,0,0|1,0,1]=4 2339 B7R1.2 O=C1C=CC(O)=N1 Amb22552540 [1,0,0,1,0,0|2,0,0]=4 2340 B7R1.2 O=C1C=CC(O)O1 Amb24544763 [1,0,0,1,0,0|1,0,1]=4 2341 B7R1.2 Oc1ccc(Br)o1 Amb18199811 [1,0,0,1,0,0|1,0,1]=4 2342 B7R1.2 Oc1ccc(Br)s1 Amb18055072 [1,0,0,1,0,0|1,1,0]=4 2343 B7R1.2 Oc1ccc(Cl)o1 Amb25723971 [1,0,0,1,0,0|1,0,1]=4 2344 B7R1.2 Oc1ccc(Cl)s1 Amb18055065 [1,0,0,1,0,0|1,1,0]=4 2345 B7R1.2 Oc1ccc(I)o1 Amb25888416 [1,0,0,1,0,0|1,0,1]=4 2346 B7R1.2 [2H]c1ccc(Br)o1 Amb10597228 [1,0,0,1,0,0|2,0,0]=4 2347 B7R1.2 [2H]c1ccc(N)o1 Amb10597230 [1,0,0,1,0,0|2,0,0]=4 2348 B7R1.3 Brc1ccccc1 Amb2795756 [1,0,0,1,0,0|2,0,0]=4 2349 B7R1.3 Brc1ccccn1 Amb535814 [1,0,0,1,0,0|2,0,0]=4 2350 B7R1.3 Cc1ccccn1 Amb2447016 [1,0,0,1,0,0|2,0,0]=4 2351 B7R1.3 Cc1ccccn1 Amb33872315 [1,0,0,1,0,0|2,0,0]=4 2352 B7R1.3 Clc1ccccc1 Amb2793069 [1,0,0,1,0,0|2,0,0]=4 2353 B7R1.3 Clc1ccccn1 Amb3939993 [1,0,0,1,0,0|2,0,0]=4 2354 B7R1.3 Fc1ccccc1 Amb2688018 [1,0,0,1,0,0|2,0,0]=4 2355 B7R1.3 Fc1ccccn1 Amb1159303 [1,0,0,1,0,0|2,0,0]=4 2356 B7R1.3 Ic1ccccc1 Amb22491511 [1,0,0,1,0,0|2,0,0]=4 2357 B7R1.3 Ic1ccccc1 Amb2688833 [1,0,0,1,0,0|2,0,0]=4 2358 B7R1.3 Ic1ccccn1 Amb4605859 [1,0,0,1,0,0|2,0,0]=4 2359 B7R1.3 NC1=CC=CCN1 Amb27391599 [1,0,0,1,0,0|2,0,0]=4 2360 B7R1.3 NC1=CC=CCO1 Amb22167473 [1,0,0,1,0,0|1,0,0]=3 2361 B7R1.3 Nc1ccccc1 Amb1935238 [1,0,0,1,0,0|2,0,0]=4 2362 B7R1.3 Nc1ccccc1 Amb33716473 [1,0,0,1,0,0|2,0,0]=4 2363 B7R1.3 Nc1ccccc1 Amb6383295 [1,0,0,1,0,0|2,0,0]=4 2364 B7R1.3 Nc1ccccc1 Amb6609036 [1,0,0,1,0,0|2,0,0]=4 2365 B7R1.3 Nc1ccccc1 Amb8513537 [1,0,0,1,0,0|2,0,0]=4 2366 B7R1.3 Nc1ccccc1 Amb8516488 [1,0,0,1,0,0|2,0,0]=4 2367 B7R1.3 Nc1ccccn1 Amb22284355 [1,0,0,1,0,0|2,0,0]=4 2368 B7R1.3 Nc1ccccn1 Amb6335265 [1,0,0,1,0,0|2,0,0]=4 2369 B7R1.3 O=C1C=CC=CN1 Amb18039970 [1,0,0,1,0,0|1,0,0]=3 2370 B7R1.3 O=C1C=CC=CO1 Amb21951679 [1,0,0,1,0,0|0,0,0]=2 2371 B7R1.3 O=C1C=CC=NN1 Amb19372847 [1,0,0,1,0,0|2,0,0]=4 2372 B7R1.3 O=C1C=CCC=N1 Amb24076140 [1,0,0,1,0,0|1,0,1]=4 2373 B7R1.3 O=C1C=CCCC1 Amb17843126 [1,0,0,1,0,0|1,0,1]=4 2374 B7R1.3 O=C1C=CCCN1 Amb22001783 [1,0,0,1,0,0|1,0,1]=4 2375 B7R1.3 O=C1C=CCCO1 Amb15693457 [1,0,0,1,0,0|0,0,1]=3 2376 B7R1.3 O=C1C=CN=CN1 Amb19748726 [1,0,0,1,0,0|2,0,0]=4 2377 B7R1.3 O=C1C=CNC=C1 Amb18039969 [1,0,0,1,0,0|2,0,0]=4 2378 B7R1.3 O=C1C=CNC=N1 Amb20239372 [1,0,0,1,0,0|2,0,0]=4 2379 B7R1.3 O=C1C=CNCC1 Amb2700614 [1,0,0,1,0,0|2,0,0]=4 2380 B7R1.3 O=C1C=COCC1 Amb22000873 [1,0,0,1,0,0|2,0,0]=4 2381 B7R1.3 O=C1C=CSC=C1 Amb22364507 [1,0,0,1,0,0|2,0,0]=4 2382 B7R1.3 O=C1C=CSCC1 Amb25375022 [1,0,0,1,0,0|2,0,0]=4 2383 B7R1.3 O=C1C=NC=CN1 Amb22406482 [1,0,0,1,0,0|2,0,0]=4 2384 B7R1.3 O=C1CCC=CN1 Amb26365285 [1,0,0,1,0,0|2,0,0]=4 2385 B7R1.3 O=C1N=CC=CN1 Amb19261228 [1,0,0,1,0,0|2,0,0]=4 2386 B7R1.3 O=C1N=CC=CN1 Amb20241236 [1,0,0,1,0,0|2,0,0]=4 2387 B7R1.3 O=C1N=CC=CN1 Amb22489504 [1,0,0,1,0,0|2,0,0]=4 2388 B7R1.3 O=c1ccocc1 Amb22233061 [1,0,0,1,0,0|2,0,0]=4 2389 B7R1.3 O=n1ccccc1 Amb20622007 [1,0,0,1,0,0|2,0,0]=4 2390 B7R1.3 Oc1ccccc1 Amb2793000 [1,0,0,1,0,0|1,0,0]=3 2391 B7R1.3 Oc1ccccc1 Amb34916329 [1,0,0,1,0,0|1,0,0]=3 2392 B7R1.3 Oc1ccccn1 Amb2609925 [1,0,0,1,0,0|1,0,0]=3 2393 B7R1.3 Oc1ccccn1 Amb33716976 [1,0,0,1,0,0|1,0,0]=3 2394 B7R1.3 Oc1cccnc1 Amb534212 [1,0,0,1,0,0|2,0,0]=4 2395 B7R1.3 Oc1cccnn1 Amb2610009 [1,0,0,1,0,0|2,0,0]=4 2396 B7R1.3 Oc1ccncc1 Amb2610065 [1,0,0,1,0,0|2,0,0]=4 2397 B7R1.3 Oc1ccncn1 Amb2591540 [1,0,0,1,0,0|2,0,0]=4 2398 B7R1.3 Oc1cnccn1 Amb8438914 [1,0,0,1,0,0|2,0,0]=4 2399 B7R1.3 Oc1ncccn1 Amb1106427 [1,0,0,1,0,0|2,0,0]=4 2400 B7R1.3 Oc1ncccn1 Amb6297230 [1,0,0,1,0,0|2,0,0]=4 2401 B7R1.3 Oc1ncccn1 Amb8396065 [1,0,0,1,0,0|2,0,0]=4 2402 B7R1.3 S=C1C=CC=CN1 Amb20246884 [1,0,0,1,0,0|1,1,0]=4 2403 B7R1.3 Sc1ccccc1 Amb2793090 [1,0,0,1,0,0|1,1,0]=4 2404 B7R1.3 Sc1ccccn1 Amb2689072 [1,0,0,1,0,0|1,1,0]=4 2405 B7R1.3 [Hg+]c1ccccc1 Amb22054115 [1,0,0,1,0,0|2,0,0]=4 2406 B7R1.3 [Li]c1ccccc1 Amb8516466 [1,0,0,1,0,0|2,0,0]=4 2407 B7R1.3 [Mg+]c1ccccc1 Amb22045898 [1,0,0,1,0,0|2,0,0]=4 2408 B7R1.3 [O-]c1ccccc1 Amb20240913 [1,0,0,1,0,0|1,0,1]=4 2409 B7R1.3 [O-]c1ccccc1 Amb31292462 [1,0,0,1,0,0|1,0,1]=4 2410 B7R1.3 [S-]c1ccccc1 Amb22360782 [1,0,0,1,0,0|1,1,0]=4 2411 B7R1.3 [SH2+]c1ccccc1 Amb24524316 [1,0,0,1,0,0|1,1,0]=4 2412 B7R1.3 [SeH]c1ccccc1 Amb8513211 [1,0,0,1,0,0|1,1,0]=4 2413 B7R1.3 [SiH3]c1ccccc1 Amb2690322 [1,0,0,1,0,0|2,0,0]=4 2414 B7R1.10 COC1=CC(=O)C1 Amb25092069 [1,0,0,1,0,0|2,0,0]=4 2415 B7R1.12 C=C1CC1C(=O)O Amb9774969 [1,0,0,1,0,0|0,0,2]=4 2416 B7R1.12 CC1=CC1C(=O)O Amb27157805 [1,0,0,1,0,0|0,0,1]=3 2417 B7R1.18 CC(=O)C1=CCC1 Amb23453500 [1,0,0,1,0,0|1,0,1]=4 2418 B7R1.18 CC(=O)N1C=CC1 Amb22001815 [1,0,0,1,0,0|2,0,0]=4 2419 B7R1.18 O=C(O)C1=CCC1 Amb17593068 [1,0,0,1,0,0|0,0,1]=3 2420 B7R1.18 O=C([O-])C1=CCC1 Amb34165365 [1,0,0,1,0,0|0,0,2]=4 2421 B7R1.20 CC(=O)C=C1CC1 Amb28201596 [1,0,0,1,0,0|1,0,1]=4 2422 B7R1.20 O=C(O)C=C1CC1 Amb8392543 [1,0,0,1,0,0|0,0,1]=3 2423 B7R1.1 BrC=C1C=CC=C1 Amb28118986 [1,0,0,1,0,0|1,0,1]=4 2424 B7R1.1 C#Cc1ccco1 Amb24178904 [1,0,0,1,0,0|0,0,2]=4 2425 B7R1.1 C=Cc1ccco1 Amb22295842 [1,0,0,1,0,0|0,0,1]=3 2426 B7R1.1 C=Cc1cccs1 Amb33542804 [1,0,0,1,0,0|0,1,1]=4 2427 B7R1.1 C=Cc1cnco1 Amb26628199 [1,0,0,1,0,0|1,0,1]=4 2428 B7R1.1 CCc1ccco1 Amb8393153 [1,0,0,1,0,0|0,0,1]=3 2429 B7R1.1 CCc1cccs1 Amb2687955 [1,0,0,1,0,0|0,1,1]=4 2430 B7R1.1 CCc1cnco1 Amb22490969 [1,0,0,1,0,0|1,0,1]=4 2431 B7R1.1 CCc1ncco1 Amb17399786 [1,0,0,1,0,0|1,0,1]=4 2432 B7R1.1 CNc1cnco1 Amb22490689 [1,0,0,1,0,0|2,0,0]=4 2433 B7R1.1 CNc1cnco1 Amb25932132 [1,0,0,1,0,0|2,0,0]=4 2434 B7R1.1 CNc1ncco1 Amb21856873 [1,0,0,1,0,0|2,0,0]=4 2435 B7R1.1 COc1ccco1 Amb8513561 [1,0,0,1,0,0|1,0,0]=3 2436 B7R1.1 COc1cccs1 Amb2689282 [1,0,0,1,0,0|1,1,0]=4 2437 B7R1.1 COc1ccno1 Amb27591646 [1,0,0,1,0,0|2,0,0]=4 2438 B7R1.1 CSc1ccco1 Amb21961438 [1,0,0,1,0,0|1,0,0]=3 2439 B7R1.1 CSc1cccs1 Amb2724421 [1,0,0,1,0,0|1,1,0]=4 2440 B7R1.1 CSc1ccno1 Amb27781087 [1,0,0,1,0,0|2,0,0]=4 2441 B7R1.1 CSc1ncco1 Amb21961333 [1,0,0,1,0,0|2,0,0]=4 2442 B7R1.1 C[SiH2]c1ccco1 Amb28368539 [1,0,0,1,0,0|0,1,0]=3 2443 B7R1.1 N#Cc1ccco1 Amb1694826 [1,0,0,1,0,0|1,0,1]=4 2444 B7R1.1 NCc1ccco1 Amb2720356 [1,0,0,1,0,0|1,0,1]=4 2445 B7R1.1 NCc1ccco1 Amb29847168 [1,0,0,1,0,0|1,0,1]=4 2446 B7R1.1 NNc1ccco1 Amb18203069 [1,0,0,1,0,0|2,0,0]=4 2447 B7R1.1 N\C=C1\C=CC=N1 Amb27623643 [1,0,0,1,0,0|2,0,0]=4 2448 B7R1.1 O=C=C1CC=CN1 Amb27851531 [1,0,0,1,0,0|1,0,1]=4 2449 B7R1.1 O=CC1=CC=CC1 Amb25799627 [1,0,0,1,0,0|0,0,0]=2 2450 B7R1.1 O=CC1=CCCC1 Amb17138358 [1,0,0,1,0,0|0,0,2]=4 2451 B7R1.1 O=CC1=CCSC1 Amb423472 [1,0,0,1,0,0|1,0,1]=4 2452 B7R1.1 O=CC1=COCC1 Amb18120774 [1,0,0,1,0,0|1,0,1]=4 2453 B7R1.1 O=CC1C=CC=C1 Amb27408563 [1,0,0,1,0,0|0,0,2]=4 2454 B7R1.1 O=CC1C=CCC1 Amb27229924 [1,0,0,1,0,0|0,0,2]=4 2455 B7R1.1 O=CC1CC=CC1 Amb18638871 [1,0,0,1,0,0|0,0,2]=4 2456 B7R1.1 O=CN1CC=CC1 Amb27978047 [1,0,0,1,0,0|1,0,1]=4 2457 B7R1.1 O=C[c-]1cccc1 Amb22168256 [1,0,0,1,0,0|0,0,2]=4 2458 B7R1.1 O=C[c-]1cccc1 Amb33801815 [1,0,0,1,0,0|0,0,2]=4 2459 B7R1.1 O=Cc1ccco1 Amb2720358 [1,0,0,1,0,0|1,0,0]=3 2460 B7R1.1 O=Cc1cccs1 Amb2690601 [1,0,0,1,0,0|1,0,0]=3 2461 B7R1.1 O=Cc1ccno1 Amb33546951 [1,0,0,1,0,0|2,0,0]=4 2462 B7R1.1 O=Cc1ccns1 Amb8010934 [1,0,0,1,0,0|2,0,0]=4 2463 B7R1.1 O=Cc1ccoc1 Amb2720357 [1,0,0,1,0,0|1,0,1]=4 2464 B7R1.1 O=Cc1ccon1 Amb8009575 [1,0,0,1,0,0|2,0,0]=4 2465 B7R1.1 O=Cc1ccsc1 Amb2720343 [1,0,0,1,0,0|1,0,1]=4 2466 B7R1.1 O=Cc1ccsn1 Amb8010932 [1,0,0,1,0,0|2,0,0]=4 2467 B7R1.1 O=Cc1cnco1 Amb8010823 [1,0,0,1,0,0|2,0,0]=4 2468 B7R1.1 O=Cc1cncs1 Amb2455730 [1,0,0,1,0,0|2,0,0]=4 2469 B7R1.1 O=Cc1cocn1 Amb8010935 [1,0,0,1,0,0|2,0,0]=4 2470 B7R1.1 O=Cc1cscn1 Amb2455729 [1,0,0,1,0,0|2,0,0]=4 2471 B7R1.1 O=Cc1ncco1 Amb33544448 [1,0,0,1,0,0|2,0,0]=4 2472 B7R1.1 O=Cc1nccs1 Amb2723140 [1,0,0,1,0,0|2,0,0]=4 2473 B7R1.1 OCC1=CC=CC1 Amb27457780 [1,0,0,1,0,0|0,0,1]=3 2474 B7R1.1 OCc1ccco1 Amb837335 [1,0,0,1,0,0|1,0,1]=4 2475 B7R1.1 OCc1cccs1 Amb837506 [1,0,0,1,0,0|1,0,1]=4 2476 B7R1.1 ONc1ccco1 Amb27209570 [1,0,0,1,0,0|2,0,0]=4 2477 B7R1.1 O\N=C1/C=CCC1 Amb27838262 [1,0,0,1,0,0|1,0,1]=4 2478 B7R1.1 S=Cc1ccco1 Amb28368735 [1,0,0,1,0,0|1,0,0]=3 2479 B7R1.1 SCc1ccco1 Amb2688612 [1,0,0,1,0,0|1,0,1]=4 2480 B7R1.1 [C-]#[N+]c1ccco1 Amb27962733 [1,0,0,1,0,0|1,0,1]=4 2481 B7R1.4 CC1=CCCC1=O Amb8514958 [1,0,0,1,0,0|0,0,2]=4 2482 B7R1.4 CC1=CCOC1=O Amb16231256 [1,0,0,1,0,0|1,0,1]=4 2483 B7R1.4 CC1C=COC1=O Amb27862334 [1,0,0,1,0,0|1,0,1]=4 2484 B7R1.4 CC1NC=CC1=O Amb28201187 [1,0,0,1,0,0|1,0,1]=4 2485 B7R1.4 CC1OC=CC1=O Amb28053998 [1,0,0,1,0,0|1,0,1]=4 2486 B7R1.4 CN1C=CNC1=O Amb20622459 [1,0,0,1,0,0|2,0,0]=4 2487 B7R1.4 CN1CC=CC1=O Amb22372248 [1,0,0,1,0,0|1,0,1]=4 2488 B7R1.4 CN1NC=CC1=O Amb22002214 [1,0,0,1,0,0|2,0,0]=4 2489 B7R1.4 CN1SC=CC1=O Amb19133167 [1,0,0,1,0,0|2,0,0]=4 2490 B7R1.4 CN1SC=CC1=O Amb20239425 [1,0,0,1,0,0|2,0,0]=4 2491 B7R1.4 CN1SC=CC1=O Amb31289633 [1,0,0,1,0,0|2,0,0]=4 2492 B7R1.4 Cc1cccn1C Amb2447020 [1,0,0,1,0,0|2,0,0]=4 2493 B7R1.4 Cc1ccoc1C Amb8515826 [1,0,0,1,0,0|2,0,0]=4 2494 B7R1.4 Cc1ccoc1O Amb33343228 [1,0,0,1,0,0|1,0,0]=3 2495 B7R1.4 Cc1ccoc1S Amb27613044 [1,0,0,1,0,0|1,1,0]=4 2496 B7R1.4 Cc1ccsc1Br Amb2236394 [1,0,0,1,0,0|2,0,0]=4 2497 B7R1.4 Cc1ccsc1C Amb2447413 [1,0,0,1,0,0|2,0,0]=4 2498 B7R1.4 Cc1ccsc1Cl Amb8396573 [1,0,0,1,0,0|2,0,0]=4 2499 B7R1.4 Cc1ccsc1F Amb27459925 [1,0,0,1,0,0|2,0,0]=4 2500 B7R1.4 Cc1ccsc1I Amb22898804 [1,0,0,1,0,0|2,0,0]=4 2501 B7R1.4 Cc1ccsc1N Amb18679496 [1,0,0,1,0,0|2,0,0]=4 2502 B7R1.4 Cc1ccsc1O Amb24639732 [1,0,0,1,0,0|1,0,0]=3 2503 B7R1.4 Cc1ccsc1S Amb25747282 [1,0,0,1,0,0|1,1,0]=4 2504 B7R1.4 Cc1cnoc1O Amb25064746 [1,0,0,1,0,0|2,0,0]=4 2505 B7R1.4 Cc1cocc1C Amb17613311 [1,0,0,1,0,0|2,0,0]=4 2506 B7R1.4 Cc1cocc1F Amb27971160 [1,0,0,1,0,0|2,0,0]=4 2507 B7R1.4 Cc1cocc1I Amb24630674 [1,0,0,1,0,0|2,0,0]=4 2508 B7R1.4 Cc1cscc1Br Amb2447459 [1,0,0,1,0,0|2,0,0]=4 2509 B7R1.4 Cc1cscc1C Amb2782126 [1,0,0,1,0,0|2,0,0]=4 2510 B7R1.4 Cc1cscc1I Amb27967883 [1,0,0,1,0,0|2,0,0]=4 2511 B7R1.4 Cc1cscc1N Amb18833058 [1,0,0,1,0,0|2,0,0]=4 2512 B7R1.4 Cc1cscc1N Amb20667756 [1,0,0,1,0,0|2,0,0]=4 2513 B7R1.4 Cc1cscc1N Amb22234035 [1,0,0,1,0,0|2,0,0]=4 2514 B7R1.4 Cc1cscc1O Amb26458243 [1,0,0,1,0,0|1,0,0]=3 2515 B7R1.4 Cc1cscc1S Amb28239564 [1,0,0,1,0,0|1,1,0]=4 2516 B7R1.4 Cc1nccn1O Amb27210147 [1,0,0,1,0,0|2,0,0]=4 2517 B7R1.4 Cc1ncsc1O Amb25268351 [1,0,0,1,0,0|2,0,0]=4 2518 B7R1.4 Cc1occc1Br Amb6572125 [1,0,0,1,0,0|2,0,0]=4 2519 B7R1.4 Cc1occc1N Amb18203072 [1,0,0,1,0,0|2,0,0]=4 2520 B7R1.4 Cc1occc1O Amb25178728 [1,0,0,1,0,0|1,0,0]=3 2521 B7R1.4 Cc1occc1S Amb8393173 [1,0,0,1,0,0|1,1,0]=4 2522 B7R1.4 Cc1sccc1Br Amb8393327 [1,0,0,1,0,0|2,0,0]=4 2523 B7R1.4 Cc1sccc1Cl Amb27412961 [1,0,0,1,0,0|2,0,0]=4 2524 B7R1.4 Cc1sccc1F Amb27607081 [1,0,0,1,0,0|2,0,0]=4 2525 B7R1.4 Cc1sccc1I Amb27661837 [1,0,0,1,0,0|2,0,0]=4 2526 B7R1.4 Cc1sccc1N Amb18833056 [1,0,0,1,0,0|2,0,0]=4 2527 B7R1.4 Cc1sccc1N Amb22276099 [1,0,0,1,0,0|2,0,0]=4 2528 B7R1.4 Cc1sccc1O Amb26621113 [1,0,0,1,0,0|1,0,0]=3 2529 B7R1.4 Cn1cccc1Br Amb18199426 [1,0,0,1,0,0|2,0,0]=4 2530 B7R1.4 Cn1cccc1Cl Amb25212184 [1,0,0,1,0,0|2,0,0]=4 2531 B7R1.4 Cn1cccc1I Amb24756601 [1,0,0,1,0,0|2,0,0]=4 2532 B7R1.4 Cn1cccc1O Amb27652694 [1,0,0,1,0,0|1,0,0]=3 2533 B7R1.4 Cn1cccc1S Amb25888537 [1,0,0,1,0,0|1,1,0]=4 2534 B7R1.4 Cn1cncc1O Amb27436828 [1,0,0,1,0,0|2,0,0]=4 2535 B7R1.4 Cn1nccc1O Amb13883681 [1,0,0,1,0,0|2,0,0]=4 2536 B7R1.4 Cn1nccc1O Amb22233838 [1,0,0,1,0,0|2,0,0]=4 2537 B7R1.4 Nc1sccc1O Amb26606275 [1,0,0,1,0,0|2,0,0]=4 2538 B7R1.4 O=C1C=CC=C1Br Amb28435335 [1,0,0,1,0,0|1,0,0]=3 2539 B7R1.4 O=C1C=CC=C1O Amb27835626 [1,0,0,1,0,0|1,0,0]=3 2540 B7R1.4 O=C1C=CNC1=O Amb26887753 [1,0,0,1,0,0|2,0,0]=4 2541 B7R1.4 Oc1cocc1O Amb28059187 [1,0,0,1,0,0|2,0,0]=4 2542 B7R1.4 Oc1occc1Br Amb18199810 [1,0,0,1,0,0|2,0,0]=4 2543 B7R1.4 Oc1sccc1Br Amb22492529 [1,0,0,1,0,0|2,0,0]=4 2544 B7R1.4 Oc1sccc1Cl Amb25296805 [1,0,0,1,0,0|2,0,0]=4 2545 B7R1.6 O=CC=C1CCC1 Amb27827363 [1,0,0,1,0,0|0,0,2]=4 2546 B7R1.8 C\C=C1\CCC1=O Amb24512730 [1,0,0,1,0,0|0,0,2]=4 2547 B7R1.8 O=CC1=CCC1=O Amb27256480 [1,0,0,1,0,0|1,0,1]=4 2548 B7R1.24 C1=CC=CCC=C1 Amb6609003 [1,0,0,1,0,0|1,0,0]=3 2549 B7R1.24 C1=CCCC=CC1 Amb22365118 [1,0,0,1,0,0|1,0,1]=4 2550 B7R1.24 C1=CCCCC=C1 Amb22002708 [1,0,0,1,0,0|1,0,1]=4 2551 B9R1.7 BrCCc1ccc(Br)o1 Amb26411052 [0,1,0,1,0,0|1,0,1]=4 2552 B9R1.7 Br\C=C\c1ccc(Br)o1 Amb27642770 [0,1,0,1,0,0|1,0,1]=4 2553 B9R1.7 C=CCC1C=CC(=O)O1 Amb27453658 [0,1,0,1,0,0|0,0,2]=4 2554 B9R1.7 C=C\C=C1\CCC(=O)O1 Amb27488468 [0,1,0,1,0,0|0,0,2]=4 2555 B9R1.7 CCCC1=CC(=O)CO1 Amb27797456 [0,1,0,1,0,0|0,0,2]=4 2556 B9R1.7 CCCC1C=CC(=O)O1 Amb25793308 [0,1,0,1,0,0|0,0,2]=4 2557 B9R1.7 CCCc1ccc(Br)o1 Amb24318772 [0,1,0,1,0,0|1,0,1]=4 2558 B9R1.7 CCCc1ccc(C)o1 Amb22339463 [0,1,0,1,0,0|1,0,1]=4 2559 B9R1.7 CCCc1ccc(O)s1 Amb33267047 [0,1,0,1,0,0|0,1,1]=4 2560 B9R1.7 CCNc1ccc(C)o1 Amb28139626 [0,1,0,1,0,0|1,0,1]=4 2561 B9R1.7 CCOC1=CCC(=O)O1 Amb22001902 [0,1,0,1,0,0|0,0,2]=4 2562 B9R1.7 CC\C=C1/C=CC(=O)O1 Amb27185841 [0,1,0,1,0,0|0,0,0]=2 2563 B9R1.7 CC\N=C1\C=CC(=O)O1 Amb27760317 [0,1,0,1,0,0|0,0,1]=3 2564 B9R1.7 CNCC1=CC(=O)ON1 Amb27645364 [0,1,0,1,0,0|1,0,1]=4 2565 B9R1.7 CNCc1ccc(Br)o1 Amb1131647 [0,1,0,1,0,0|1,0,1]=4 2566 B9R1.7 CNCc1ccc(C)o1 Amb1105046 [0,1,0,1,0,0|1,0,1]=4 2567 B9R1.7 CNCc1ccc(C)o1 Amb28991328 [0,1,0,1,0,0|1,0,1]=4 2568 B9R1.7 CNCc1ccc(Cl)o1 Amb18523734 [0,1,0,1,0,0|1,0,1]=4 2569 B9R1.7 CNCc1ccc(F)o1 Amb28052847 [0,1,0,1,0,0|1,0,1]=4 2570 B9R1.7 CNCc1ccc(I)o1 Amb9620954 [0,1,0,1,0,0|1,0,1]=4 2571 B9R1.7 CNCc1ccc(N)o1 Amb18101397 [0,1,0,1,0,0|1,0,1]=4 2572 B9R1.7 COCC1C=CC(=O)O1 Amb28370301 [0,1,0,1,0,0|0,0,2]=4 2573 B9R1.7 COCc1ccc(Br)o1 Amb25837821 [0,1,0,1,0,0|1,0,1]=4 2574 B9R1.7 COCc1ccc(O)o1 Amb33146638 [0,1,0,1,0,0|0,0,2]=4 2575 B9R1.7 CO\N=C1/C=CC(=O)N1 Amb27635300 [0,1,0,1,0,0|2,0,0]=4 2576 B9R1.7 CSCc1ccc(Br)o1 Amb27768306 [0,1,0,1,0,0|1,0,1]=4 2577 B9R1.7 CSCc1ccc(C)o1 Amb24696980 [0,1,0,1,0,0|1,0,1]=4 2578 B9R1.7 C\C=C\C1=CCC(=O)O1 Amb26429675 [0,1,0,1,0,0|0,0,0]=2 2579 B9R1.7 C\C=C\C1C=CC(=O)C1 Amb25319373 [0,1,0,1,0,0|1,0,0]=3 2580 B9R1.7 C\C=C\C1C=CC(=O)O1 Amb25238033 [0,1,0,1,0,0|0,0,0]=2 2581 B9R1.7 C\C=C\C1CNC(=O)O1 Amb25791417 [0,1,0,1,0,0|0,0,2]=4 2582 B9R1.7 C\C=C\c1cc(C)co1 Amb27209260 [0,1,0,1,0,0|1,0,0]=3 2583 B9R1.7 C\C=C\c1ccc(C)o1 Amb27482400 [0,1,0,1,0,0|1,0,0]=3 2584 B9R1.7 C\C=C\c1ccc(Cl)s1 Amb27184514 [0,1,0,1,0,0|1,1,0]=4 2585 B9R1.7 C\N=C/c1ccc(C)o1 Amb27965230 [0,1,0,1,0,0|1,0,0]=3 2586 B9R1.7 C\N=C\c1ccc(C)o1 Amb28140651 [0,1,0,1,0,0|1,0,0]=3 2587 B9R1.7 C\N=C\c1ccc(C)s1 Amb28135871 [0,1,0,1,0,0|1,1,0]=4 2588 B9R1.7 Cc1cc(\C=C\Br)on1 Amb33135276 [0,1,0,1,0,0|2,0,0]=4 2589 B9R1.7 Cc1ccc(CC=O)o1 Amb26584704 [0,1,0,1,0,0|2,0,0]=4 2590 B9R1.7 Cc1ccc(CCBr)o1 Amb26362494 [0,1,0,1,0,0|1,0,1]=4 2591 B9R1.7 Cc1ccc(CCCl)o1 Amb25887328 [0,1,0,1,0,0|1,0,1]=4 2592 B9R1.7 Cc1ccc(CCN)o1 Amb2592358 [0,1,0,1,0,0|1,0,1]=4 2593 B9R1.7 Cc1ccc(CCO)o1 Amb24496246 [0,1,0,1,0,0|1,0,1]=4 2594 B9R1.7 Cc1ccc(CCS)o1 Amb27267502 [0,1,0,1,0,0|1,0,1]=4 2595 B9R1.7 Cc1ccc(\C=C\Br)o1 Amb33134842 [0,1,0,1,0,0|1,0,1]=4 2596 B9R1.7 Cc1ccc(\C=N/O)o1 Amb25147225 [0,1,0,1,0,0|2,0,0]=4 2597 B9R1.7 Cc1ccc(\C=N\O)o1 Amb6384039 [0,1,0,1,0,0|2,0,0]=4 2598 B9R1.7 Cc1cnc(\C=C\Br)o1 Amb33135317 [0,1,0,1,0,0|2,0,0]=4 2599 B9R1.7 Cc1coc(\C=C\Br)c1 Amb33135438 [0,1,0,1,0,0|2,0,0]=4 2600 B9R1.7 Clc1ccc(CCBr)o1 Amb33335921 [0,1,0,1,0,0|1,0,1]=4 2601 B9R1.7 NCCc1ccc(Br)o1 Amb20626078 [0,1,0,1,0,0|1,0,1]=4 2602 B9R1.7 NCCc1ccc(Br)o1 Amb6248272 [0,1,0,1,0,0|1,0,1]=4 2603 B9R1.7 NCCc1ccc(Cl)o1 Amb18963970 [0,1,0,1,0,0|1,0,1]=4 2604 B9R1.7 NCCc1ccc(I)o1 Amb26645284 [0,1,0,1,0,0|1,0,1]=4 2605 B9R1.7 N\C=C\c1cc(Cl)no1 Amb24562459 [0,1,0,1,0,0|2,0,0]=4 2606 B9R1.7 O=C1C=CC(CCO)O1 Amb18832646 [0,1,0,1,0,0|0,0,2]=4 2607 B9R1.7 O=C1C=C[C@H](CCO)O1 Amb27486246 [0,1,0,1,0,0|0,0,2]=4 2608 B9R1.7 O=C1C=C\C(=C/C=S)C1 Amb24577808 [0,1,0,1,0,0|1,0,1]=4 2609 B9R1.7 O=C1C=C\C(=C\C=S)C1 Amb27838717 [0,1,0,1,0,0|1,0,1]=4 2610 B9R1.7 O=CCc1ccc(Br)o1 Amb27870879 [0,1,0,1,0,0|2,0,0]=4 2611 B9R1.7 O=CCc1ccc(Cl)o1 Amb25174639 [0,1,0,1,0,0|2,0,0]=4 2612 B9R1.7 O=C\C=C1/C=CC(=O)O1 Amb24334582 [0,1,0,1,0,0|0,0,1]=3 2613 B9R1.7 OCCc1ccc(Br)o1 Amb26562124 [0,1,0,1,0,0|1,0,1]=4 2614 B9R1.7 OCCc1ccc(Cl)o1 Amb32747715 [0,1,0,1,0,0|1,0,1]=4 2615 B9R1.7 O\N=C\c1ccc(Br)o1 Amb2387512 [0,1,0,1,0,0|2,0,0]=4 2616 B9R1.7 O\N=C\c1ccc(Cl)o1 Amb8357988 [0,1,0,1,0,0|2,0,0]=4 2617 B9R1.7 O\N=C\c1ccc(I)o1 Amb16239327 [0,1,0,1,0,0|2,0,0]=4 2618 B9R1.7 SCCc1ccc(Br)o1 Amb33452201 [0,1,0,1,0,0|1,0,1]=4 2619 B9R1.7 SCCc1ccc(Cl)o1 Amb33258685 [0,1,0,1,0,0|1,0,1]=4 2620 B9R1.13 CC(=O)Cc1ccco1 Amb5751052 [0,1,0,1,0,0|2,0,0]=4 2621 B9R1.13 CC(=O)Cc1cccs1 Amb3429447 [0,1,0,1,0,0|2,0,0]=4 2622 B9R1.13 CC(=O)Nc1ccco1 Amb2611741 [0,1,0,1,0,0|2,0,0]=4 2623 B9R1.13 CC(=O)Nc1cccs1 Amb2228309 [0,1,0,1,0,0|2,0,0]=4 2624 B9R1.13 CC(=O)Oc1ccco1 Amb27614492 [0,1,0,1,0,0|2,0,0]=4 2625 B9R1.13 CC(=O)\C=C1/C=CCO1 Amb27186200 [0,1,0,1,0,0|1,0,0]=3 2626 B9R1.13 CC(=O)\C=C1\CC=CO1 Amb28326023 [0,1,0,1,0,0|1,0,0]=3 2627 B9R1.13 C[C@H](O)CC1=CC=CC1 Amb27770335 [0,1,0,1,0,0|1,0,1]=4 2628 B9R1.13 NC(=O)Cc1cccs1 Amb3620365 [0,1,0,1,0,0|2,0,0]=4 2629 B9R1.13 NC(=O)Nc1ccco1 Amb27804619 [0,1,0,1,0,0|2,0,0]=4 2630 B9R1.13 NC(=O)Nc1cccs1 Amb28248962 [0,1,0,1,0,0|2,0,0]=4 2631 B9R1.13 O=C(Cl)Cc1ccco1 Amb25124003 [0,1,0,1,0,0|2,0,0]=4 2632 B9R1.13 O=C(Cl)Cc1cccs1 Amb535730 [0,1,0,1,0,0|2,0,0]=4 2633 B9R1.13 O=C(O)C=C1CCCC1 Amb4036043 [0,1,0,1,0,0|0,0,2]=4 2634 B9R1.13 O=C(O)C=C1NCCN1 Amb18832637 [0,1,0,1,0,0|1,0,1]=4 2635 B9R1.13 O=C(O)CC1=CC=CC1 Amb28370362 [0,1,0,1,0,0|0,0,0]=2 2636 B9R1.13 O=C(O)CC1=CCC=C1 Amb27945563 [0,1,0,1,0,0|0,0,1]=3 2637 B9R1.13 O=C(O)CC1=CCCC1 Amb18642404 [0,1,0,1,0,0|0,0,2]=4 2638 B9R1.13 O=C(O)CC1C=CCC1 Amb9703199 [0,1,0,1,0,0|0,0,2]=4 2639 B9R1.13 O=C(O)CC1CC=CC1 Amb25673915 [0,1,0,1,0,0|0,0,2]=4 2640 B9R1.13 O=C(O)Cc1ccco1 Amb2792725 [0,1,0,1,0,0|1,0,0]=3 2641 B9R1.13 O=C(O)Cc1cccs1 Amb6335251 [0,1,0,1,0,0|1,0,0]=3 2642 B9R1.13 O=C(O)Cc1ccno1 Amb8009410 [0,1,0,1,0,0|1,0,1]=4 2643 B9R1.13 O=C(O)Cc1ccns1 Amb18831590 [0,1,0,1,0,0|1,0,1]=4 2644 B9R1.13 O=C(O)Cc1ccoc1 Amb2611514 [0,1,0,1,0,0|0,0,2]=4 2645 B9R1.13 O=C(O)Cc1ccon1 Amb8009412 [0,1,0,1,0,0|1,0,1]=4 2646 B9R1.13 O=C(O)Cc1ccsc1 Amb1151879 [0,1,0,1,0,0|0,0,2]=4 2647 B9R1.13 O=C(O)Cc1ccsn1 Amb18831591 [0,1,0,1,0,0|1,0,1]=4 2648 B9R1.13 O=C(O)Cc1cnco1 Amb8009409 [0,1,0,1,0,0|1,0,1]=4 2649 B9R1.13 O=C(O)Cc1cncs1 Amb3319218 [0,1,0,1,0,0|1,0,1]=4 2650 B9R1.13 O=C(O)Cc1cocn1 Amb8009408 [0,1,0,1,0,0|1,0,1]=4 2651 B9R1.13 O=C(O)Cc1cscn1 Amb17039671 [0,1,0,1,0,0|1,0,1]=4 2652 B9R1.13 O=C(O)Cc1cscn1 Amb33537693 [0,1,0,1,0,0|1,0,1]=4 2653 B9R1.13 O=C(O)Cc1ncco1 Amb8009407 [0,1,0,1,0,0|1,0,1]=4 2654 B9R1.13 O=C(O)Cc1nccs1 Amb9533133 [0,1,0,1,0,0|1,0,1]=4 2655 B9R1.13 O=C(O)Cn1cccc1 Amb1124868 [0,1,0,1,0,0|0,0,2]=4 2656 B9R1.13 O=C(O)Cn1cccn1 Amb1157167 [0,1,0,1,0,0|1,0,1]=4 2657 B9R1.13 O=C(O)\C=C1\CCNC1 Amb21953701 [0,1,0,1,0,0|0,0,2]=4 2658 B9R1.13 O=C(O)\C=C1\CCOC1 Amb27837480 [0,1,0,1,0,0|0,0,2]=4 2659 B9R1.13 O=C(O)\C=C1\CCSC1 Amb26390862 [0,1,0,1,0,0|0,0,2]=4 2660 B9R1.13 OC(=S)Cc1cccs1 Amb2611516 [0,1,0,1,0,0|1,1,0]=4 2661 B9R1.22 C=Cc1oc(Br)cc1C Amb33450851 [0,1,0,1,0,0|1,0,1]=4 2662 B9R1.22 CC1=C(C=O)OC(=O)O1 Amb28118534 [0,1,0,1,0,0|2,0,0]=4 2663 B9R1.22 CCc1oc(N)cc1C Amb18832815 [0,1,0,1,0,0|1,0,1]=4 2664 B9R1.22 COC1OC(=O)C=C1Br Amb22490505 [0,1,0,1,0,0|1,0,1]=4 2665 B9R1.22 COc1sc(O)cc1Br Amb33432073 [0,1,0,1,0,0|1,1,0]=4 2666 B9R1.22 C\C=C1/CC(=O)NC1=O Amb27424711 [0,1,0,1,0,0|2,0,0]=4 2667 B9R1.22 C\C=C1/CC(=O)NC1=S Amb27815223 [0,1,0,1,0,0|2,0,0]=4 2668 B9R1.22 C\C=C1/NC(=O)CC1=O Amb27590222 [0,1,0,1,0,0|1,0,1]=4 2669 B9R1.22 C\C=C1/NC(=O)NC1=O Amb26396442 [0,1,0,1,0,0|2,0,0]=4 2670 B9R1.22 C\C=C1/NC(=O)OC1=O Amb27961376 [0,1,0,1,0,0|2,0,0]=4 2671 B9R1.22 C\C=C1\CC(C)=CC1=O Amb24714919 [0,1,0,1,0,0|2,0,0]=4 2672 B9R1.22 C\C=C1\NC(=O)C=C1O Amb26904288 [0,1,0,1,0,0|1,0,0]=3 2673 B9R1.22 C\C=C1\NC(=O)OC1=O Amb27842372 [0,1,0,1,0,0|2,0,0]=4 2674 B9R1.22 C\C=C1\OC(=O)C=C1N Amb28059814 [0,1,0,1,0,0|0,0,0]=2 2675 B9R1.22 Cc1cc(Br)c(C=O)o1 Amb18190707 [0,1,0,1,0,0|2,0,0]=4 2676 B9R1.22 Cc1cc(Br)oc1C=O Amb33732295 [0,1,0,1,0,0|2,0,0]=4 2677 B9R1.22 Cc1cc(Cl)c(C=O)o1 Amb18202379 [0,1,0,1,0,0|2,0,0]=4 2678 B9R1.22 Cc1cc(N)c(C=O)o1 Amb18832843 [0,1,0,1,0,0|2,0,0]=4 2679 B9R1.22 O=C1C=C(Cl)\C(=C/Cl)O1 Amb25210550 [0,1,0,1,0,0|1,0,0]=3 2680 B9R1.25 C\C=C1/[C@@H](C)[C@H]1C(=O)O Amb27614281 [0,1,0,1,0,0|0,0,2]=4 2681 B9R1.34 Bc1cc(C)nc(C)c1 Amb28367388 [0,1,0,1,0,0|2,0,0]=4 2682 B9R1.34 C=C1C=C(C)C=C(C)N1 Amb24103119 [0,1,0,1,0,0|2,0,0]=4 2683 B9R1.34 C=C1C=C(C)NC(C)=C1 Amb24101834 [0,1,0,1,0,0|2,0,0]=4 2684 B9R1.34 CC1=CC(=O)C=C(Br)N1 Amb24423299 [0,1,0,1,0,0|2,0,0]=4 2685 B9R1.34 CC1=CC(=O)C=C(C)N1 Amb33544636 [0,1,0,1,0,0|2,0,0]=4 2686 B9R1.34 CC1=CC(=O)C=C(C)O1 Amb19116892 [0,1,0,1,0,0|1,0,0]=3 2687 B9R1.34 CC1=CC(=O)C=C(O)N1 Amb22489534 [0,1,0,1,0,0|1,0,0]=3 2688 B9R1.34 CC1=CC(=O)C=C(O)O1 Amb21963752 [0,1,0,1,0,0|0,0,1]=3 2689 B9R1.34 CC1=CC(=O)C=C(S)S1 Amb28461213 [0,1,0,1,0,0|0,2,0]=4 2690 B9R1.34 CC1=CC(=O)CC(=O)O1 Amb17778431 [0,1,0,1,0,0|0,0,1]=3 2691 B9R1.34 CC1=CC(=O)N=C(N)O1 Amb27194586 [0,1,0,1,0,0|2,0,0]=4 2692 B9R1.34 CC1=CC(=O)NC(=O)N1 Amb18028578 [0,1,0,1,0,0|2,0,0]=4 2693 B9R1.34 CC1=CC(=O)NC(C)=C1 Amb20240634 [0,1,0,1,0,0|1,0,0]=3 2694 B9R1.34 CC1=CC(=O)NC(C)=N1 Amb19116070 [0,1,0,1,0,0|2,0,0]=4 2695 B9R1.34 CC1=CC(=O)NC(Cl)=C1 Amb24524213 [0,1,0,1,0,0|2,0,0]=4 2696 B9R1.34 CC1=CC(=O)NC(N)=C1 Amb19372509 [0,1,0,1,0,0|2,0,0]=4 2697 B9R1.34 CC1=CC(=O)NC(O)=C1 Amb20075946 [0,1,0,1,0,0|2,0,0]=4 2698 B9R1.34 CC1=CC(=O)OC(=O)C1 Amb17673901 [0,1,0,1,0,0|1,0,1]=4 2699 B9R1.34 CC1=CC(=O)OC(=O)N1 Amb21880405 [0,1,0,1,0,0|2,0,0]=4 2700 B9R1.34 CC1=CC(=S)C=C(C)O1 Amb18526845 [0,1,0,1,0,0|1,0,0]=3 2701 B9R1.34 CC1=CC(Br)=CC(=O)O1 Amb25889777 [0,1,0,1,0,0|0,0,0]=2 2702 B9R1.34 CC1=CC(C)=NC(=O)C1 Amb27622648 [0,1,0,1,0,0|1,0,1]=4 2703 B9R1.34 CC1=CC(C)=NC(=O)N1 Amb19131987 [0,1,0,1,0,0|2,0,0]=4 2704 B9R1.34 CC1=CC(C)=NC(=O)N1 Amb19261104 [0,1,0,1,0,0|2,0,0]=4 2705 B9R1.34 CC1=CC(C)=NC(=O)N1 Amb35750037 [0,1,0,1,0,0|2,0,0]=4 2706 B9R1.34 CC1=CC(C)CC(=O)O1 Amb27812237 [0,1,0,1,0,0|0,0,2]=4 2707 B9R1.34 CC1=CC(Cl)=NC(=O)N1 Amb27237590 [0,1,0,1,0,0|2,0,0]=4 2708 B9R1.34 CC1=CC(I)=CC(=O)N1 Amb24609383 [0,1,0,1,0,0|1,0,0]=3 2709 B9R1.34 CC1=CC(N)=CC(=O)N1 Amb18642201 [0,1,0,1,0,0|1,0,0]=3 2710 B9R1.34 CC1=CC(N)=CC(=O)O1 Amb26857680 [0,1,0,1,0,0|0,0,0]=2 2711 B9R1.34 CC1=CC(N)=NC(=O)N1 Amb18538474 [0,1,0,1,0,0|2,0,0]=4 2712 B9R1.34 CC1=CC(N)=NC(=O)N1 Amb33291343 [0,1,0,1,0,0|2,0,0]=4 2713 B9R1.34 CC1=CC(O)=CC(=O)N1 Amb18369097 [0,1,0,1,0,0|1,0,0]=3 2714 B9R1.34 CC1=CC(O)=CC(=O)O1 Amb19222833 [0,1,0,1,0,0|0,0,0]=2 2715 B9R1.34 CC1=CC(O)=CC(=O)S1 Amb28246632 [0,1,0,1,0,0|0,1,0]=3 2716 B9R1.34 CC1=CC(O)CC(=O)O1 Amb16231305 [0,1,0,1,0,0|0,0,2]=4 2717 B9R1.34 CC1=CC(S)=NC(=O)N1 Amb22500131 [0,1,0,1,0,0|2,0,0]=4 2718 B9R1.34 CC1=NC(=O)C=C(Cl)N1 Amb21856438 [0,1,0,1,0,0|2,0,0]=4 2719 B9R1.34 CC1=NC(=O)C=C(N)N1 Amb20620297 [0,1,0,1,0,0|2,0,0]=4 2720 B9R1.34 CC1=NC(=O)CC(O)=C1 Amb24558317 [0,1,0,1,0,0|1,0,1]=4 2721 B9R1.34 CC1=NC(F)=CC(=O)N1 Amb25956936 [0,1,0,1,0,0|2,0,0]=4 2722 B9R1.34 CC1=NC(N)=CC(=O)N1 Amb18013055 [0,1,0,1,0,0|2,0,0]=4 2723 B9R1.34 CC1=NC(O)=CC(=O)N1 Amb19665366 [0,1,0,1,0,0|2,0,0]=4 2724 B9R1.34 CC1CC(O)=CC(=O)O1 Amb22347797 [0,1,0,1,0,0|0,0,2]=4 2725 B9R1.34 Cc1cc(Br)cc(Br)c1 Amb2733733 [0,1,0,1,0,0|2,0,0]=4 2726 B9R1.34 Cc1cc(Br)cc(Br)n1 Amb20617532 [0,1,0,1,0,0|2,0,0]=4 2727 B9R1.34 Cc1cc(Br)cc(C)n1 Amb8438988 [0,1,0,1,0,0|2,0,0]=4 2728 B9R1.34 Cc1cc(Br)cc(Cl)n1 Amb19959267 [0,1,0,1,0,0|2,0,0]=4 2729 B9R1.34 Cc1cc(Br)cc(F)n1 Amb21857303 [0,1,0,1,0,0|2,0,0]=4 2730 B9R1.34 Cc1cc(Br)cc(I)c1 Amb22001543 [0,1,0,1,0,0|2,0,0]=4 2731 B9R1.34 Cc1cc(Br)cc(I)n1 Amb25377176 [0,1,0,1,0,0|2,0,0]=4 2732 B9R1.34 Cc1cc(Br)cc(N)n1 Amb21963411 [0,1,0,1,0,0|2,0,0]=4 2733 B9R1.34 Cc1cc(Br)cc(O)n1 Amb21963412 [0,1,0,1,0,0|1,0,0]=3 2734 B9R1.34 Cc1cc(Br)nc(O)n1 Amb25917930 [0,1,0,1,0,0|2,0,0]=4 2735 B9R1.34 Cc1cc(C)cc(Br)c1 Amb2685559 [0,1,0,1,0,0|2,0,0]=4 2736 B9R1.34 Cc1cc(C)cc(C)c1 Amb6608793 [0,1,0,1,0,0|2,0,0]=4 2737 B9R1.34 Cc1cc(C)cc(Cl)c1 Amb2686557 [0,1,0,1,0,0|2,0,0]=4 2738 B9R1.34 Cc1cc(C)cc(F)c1 Amb2688560 [0,1,0,1,0,0|2,0,0]=4 2739 B9R1.34 Cc1cc(C)cc(I)c1 Amb2688904 [0,1,0,1,0,0|2,0,0]=4 2740 B9R1.34 Cc1cc(C)cc(N)c1 Amb2792825 [0,1,0,1,0,0|2,0,0]=4 2741 B9R1.34 Cc1cc(C)cc(O)c1 Amb3939552 [0,1,0,1,0,0|1,0,0]=3 2742 B9R1.34 Cc1cc(C)cc(P)c1 Amb24524156 [0,1,0,1,0,0|2,0,0]=4 2743 B9R1.34 Cc1cc(C)cc(S)c1 Amb2687634 [0,1,0,1,0,0|1,1,0]=4 2744 B9R1.34 Cc1cc(C)nc(Br)c1 Amb8396918 [0,1,0,1,0,0|2,0,0]=4 2745 B9R1.34 Cc1cc(C)nc(C)c1 Amb10605621 [0,1,0,1,0,0|2,0,0]=4 2746 B9R1.34 Cc1cc(C)nc(C)c1 Amb29083625 [0,1,0,1,0,0|2,0,0]=4 2747 B9R1.34 Cc1cc(C)nc(C)c1 Amb6608644 [0,1,0,1,0,0|2,0,0]=4 2748 B9R1.34 Cc1cc(C)nc(Cl)c1 Amb8396944 [0,1,0,1,0,0|2,0,0]=4 2749 B9R1.34 Cc1cc(C)nc(F)c1 Amb24084192 [0,1,0,1,0,0|2,0,0]=4 2750 B9R1.34 Cc1cc(C)nc(N)c1 Amb3939300 [0,1,0,1,0,0|2,0,0]=4 2751 B9R1.34 Cc1cc(C)nc(O)c1 Amb2696836 [0,1,0,1,0,0|1,0,0]=3 2752 B9R1.34 Cc1cc(C)nc(O)n1 Amb1106425 [0,1,0,1,0,0|2,0,0]=4 2753 B9R1.34 Cc1cc(C)nc(O)n1 Amb6892081 [0,1,0,1,0,0|2,0,0]=4 2754 B9R1.34 Cc1cc(C)nc(S)c1 Amb28315089 [0,1,0,1,0,0|1,1,0]=4 2755 B9R1.34 Cc1cc(Cl)cc(Br)c1 Amb2694660 [0,1,0,1,0,0|2,0,0]=4 2756 B9R1.34 Cc1cc(Cl)cc(C)n1 Amb2610079 [0,1,0,1,0,0|2,0,0]=4 2757 B9R1.34 Cc1cc(Cl)cc(Cl)c1 Amb15690990 [0,1,0,1,0,0|2,0,0]=4 2758 B9R1.34 Cc1cc(Cl)cc(Cl)n1 Amb8396976 [0,1,0,1,0,0|2,0,0]=4 2759 B9R1.34 Cc1cc(Cl)cc(I)c1 Amb19893119 [0,1,0,1,0,0|2,0,0]=4 2760 B9R1.34 Cc1cc(Cl)cc(N)n1 Amb10601945 [0,1,0,1,0,0|2,0,0]=4 2761 B9R1.34 Cc1cc(Cl)cc(O)n1 Amb28255564 [0,1,0,1,0,0|1,0,0]=3 2762 B9R1.34 Cc1cc(F)cc(Br)c1 Amb2685253 [0,1,0,1,0,0|2,0,0]=4 2763 B9R1.34 Cc1cc(F)cc(Br)n1 Amb25686396 [0,1,0,1,0,0|2,0,0]=4 2764 B9R1.34 Cc1cc(F)cc(C)n1 Amb24091591 [0,1,0,1,0,0|2,0,0]=4 2765 B9R1.34 Cc1cc(F)cc(Cl)c1 Amb10840358 [0,1,0,1,0,0|2,0,0]=4 2766 B9R1.34 Cc1cc(F)cc(F)c1 Amb8387984 [0,1,0,1,0,0|2,0,0]=4 2767 B9R1.34 Cc1cc(F)cc(F)n1 Amb21857172 [0,1,0,1,0,0|2,0,0]=4 2768 B9R1.34 Cc1cc(F)cc(I)c1 Amb10839298 [0,1,0,1,0,0|2,0,0]=4 2769 B9R1.34 Cc1cc(F)cc(N)n1 Amb25713858 [0,1,0,1,0,0|2,0,0]=4 2770 B9R1.34 Cc1cc(F)cc(O)n1 Amb22169388 [0,1,0,1,0,0|1,0,0]=3 2771 B9R1.34 Cc1cc(F)cc(S)c1 Amb19892690 [0,1,0,1,0,0|1,1,0]=4 2772 B9R1.34 Cc1cc(I)cc(Br)n1 Amb28196404 [0,1,0,1,0,0|2,0,0]=4 2773 B9R1.34 Cc1cc(I)cc(C)n1 Amb22263027 [0,1,0,1,0,0|2,0,0]=4 2774 B9R1.34 Cc1cc(I)cc(Cl)n1 Amb26954486 [0,1,0,1,0,0|2,0,0]=4 2775 B9R1.34 Cc1cc(I)cc(F)n1 Amb20240825 [0,1,0,1,0,0|2,0,0]=4 2776 B9R1.34 Cc1cc(I)cc(I)c1 Amb25113284 [0,1,0,1,0,0|2,0,0]=4 2777 B9R1.34 Cc1cc(I)cc(I)n1 Amb27619016 [0,1,0,1,0,0|2,0,0]=4 2778 B9R1.34 Cc1cc(I)cc(N)n1 Amb24375494 [0,1,0,1,0,0|2,0,0]=4 2779 B9R1.34 Cc1cc(N)cc(Br)c1 Amb10068006 [0,1,0,1,0,0|2,0,0]=4 2780 B9R1.34 Cc1cc(N)cc(Br)c1 Amb18368607 [0,1,0,1,0,0|2,0,0]=4 2781 B9R1.34 Cc1cc(N)cc(Br)n1 Amb16185705 [0,1,0,1,0,0|2,0,0]=4 2782 B9R1.34 Cc1cc(N)cc(C)n1 Amb8438992 [0,1,0,1,0,0|2,0,0]=4 2783 B9R1.34 Cc1cc(N)cc(Cl)c1 Amb18643778 [0,1,0,1,0,0|2,0,0]=4 2784 B9R1.34 Cc1cc(N)cc(Cl)n1 Amb18643891 [0,1,0,1,0,0|2,0,0]=4 2785 B9R1.34 Cc1cc(N)cc(F)c1 Amb8383845 [0,1,0,1,0,0|2,0,0]=4 2786 B9R1.34 Cc1cc(N)cc(F)n1 Amb24318839 [0,1,0,1,0,0|2,0,0]=4 2787 B9R1.34 Cc1cc(N)cc(I)c1 Amb20243091 [0,1,0,1,0,0|2,0,0]=4 2788 B9R1.34 Cc1cc(N)cc(I)n1 Amb26397556 [0,1,0,1,0,0|2,0,0]=4 2789 B9R1.34 Cc1cc(N)cc(N)c1 Amb18642061 [0,1,0,1,0,0|2,0,0]=4 2790 B9R1.34 Cc1cc(N)cc(N)c1 Amb24329106 [0,1,0,1,0,0|2,0,0]=4 2791 B9R1.34 Cc1cc(N)cc(N)n1 Amb22169618 [0,1,0,1,0,0|2,0,0]=4 2792 B9R1.34 Cc1cc(N)cc(O)c1 Amb17678823 [0,1,0,1,0,0|1,0,0]=3 2793 B9R1.34 Cc1cc(N)cc(S)c1 Amb28203880 [0,1,0,1,0,0|1,1,0]=4 2794 B9R1.34 Cc1cc(O)cc(Br)c1 Amb18042935 [0,1,0,1,0,0|1,0,0]=3 2795 B9R1.34 Cc1cc(O)cc(C)n1 Amb2687530 [0,1,0,1,0,0|2,0,0]=4 2796 B9R1.34 Cc1cc(O)cc(Cl)c1 Amb10602290 [0,1,0,1,0,0|1,0,0]=3 2797 B9R1.34 Cc1cc(O)cc(Cl)n1 Amb22751357 [0,1,0,1,0,0|2,0,0]=4 2798 B9R1.34 Cc1cc(O)cc(F)c1 Amb10839415 [0,1,0,1,0,0|1,0,0]=3 2799 B9R1.34 Cc1cc(O)cc(F)n1 Amb22169355 [0,1,0,1,0,0|2,0,0]=4 2800 B9R1.34 Cc1cc(O)cc(I)c1 Amb25708758 [0,1,0,1,0,0|1,0,0]=3 2801 B9R1.34 Cc1cc(O)cc(I)n1 Amb22490208 [0,1,0,1,0,0|2,0,0]=4 2802 B9R1.34 Cc1cc(O)cc(O)c1 Amb2689688 [0,1,0,1,0,0|1,0,0]=3 2803 B9R1.34 Cc1cc(O)cc(O)c1 Amb6297359 [0,1,0,1,0,0|1,0,0]=3 2804 B9R1.34 Cc1cc(O)cc(O)n1 Amb8517323 [0,1,0,1,0,0|1,0,0]=3 2805 B9R1.34 Cc1cc(O)nc(Br)c1 Amb26567456 [0,1,0,1,0,0|2,0,0]=4 2806 B9R1.34 Cc1cc(O)nc(C)n1 Amb2609948 [0,1,0,1,0,0|2,0,0]=4 2807 B9R1.34 Cc1cc(O)nc(F)c1 Amb22169349 [0,1,0,1,0,0|2,0,0]=4 2808 B9R1.34 Cc1cc(O)nc(I)c1 Amb27192566 [0,1,0,1,0,0|2,0,0]=4 2809 B9R1.34 Cc1cc(O)nc(O)c1 Amb17778585 [0,1,0,1,0,0|2,0,0]=4 2810 B9R1.34 Cc1cc(O)nc(O)n1 Amb2591527 [0,1,0,1,0,0|2,0,0]=4 2811 B9R1.34 Cc1cc(S)cc(Br)c1 Amb26347870 [0,1,0,1,0,0|1,1,0]=4 2812 B9R1.34 Cc1cc(S)cc(Cl)c1 Amb19893113 [0,1,0,1,0,0|1,1,0]=4 2813 B9R1.34 Cc1cc(S)cc(Cl)n1 Amb33222576 [0,1,0,1,0,0|2,0,0]=4 2814 B9R1.34 Cc1cc(S)cc(I)c1 Amb27838618 [0,1,0,1,0,0|1,1,0]=4 2815 B9R1.34 Cc1nc(O)cc(Br)n1 Amb22757893 [0,1,0,1,0,0|2,0,0]=4 2816 B9R1.34 Cc1nc(O)cc(Cl)n1 Amb4017637 [0,1,0,1,0,0|2,0,0]=4 2817 B9R1.34 Cc1nc(O)cc(O)n1 Amb2591525 [0,1,0,1,0,0|2,0,0]=4 2818 B9R1.34 Cc1nc(O)cc(S)n1 Amb22753695 [0,1,0,1,0,0|2,0,0]=4 2819 B9R1.34 NC1=CC(=O)NC(F)=C1 Amb24184098 [0,1,0,1,0,0|2,0,0]=4 2820 B9R1.34 NC1=CC(=O)NC(O)=C1 Amb18642374 [0,1,0,1,0,0|2,0,0]=4 2821 B9R1.34 NC1=CC(O)=CC(=O)N1 Amb22235888 [0,1,0,1,0,0|2,0,0]=4 2822 B9R1.34 Nc1cc(Br)cc(O)n1 Amb25746373 [0,1,0,1,0,0|2,0,0]=4 2823 B9R1.34 Nc1cc(Cl)cc(O)n1 Amb26397503 [0,1,0,1,0,0|2,0,0]=4 2824 B9R1.34 Nc1cc(F)cc(O)n1 Amb28283601 [0,1,0,1,0,0|2,0,0]=4 2825 B9R1.34 Nc1cc(O)cc(Br)c1 Amb22008479 [0,1,0,1,0,0|2,0,0]=4 2826 B9R1.34 Nc1cc(O)cc(Cl)c1 Amb22233859 [0,1,0,1,0,0|2,0,0]=4 2827 B9R1.34 Nc1cc(O)cc(F)c1 Amb20668495 [0,1,0,1,0,0|2,0,0]=4 2828 B9R1.34 Nc1cc(O)cc(F)c1 Amb33299295 [0,1,0,1,0,0|2,0,0]=4 2829 B9R1.34 Nc1cc(O)cc(I)c1 Amb25377079 [0,1,0,1,0,0|2,0,0]=4 2830 B9R1.34 Nc1cc(O)cc(O)c1 Amb17593293 [0,1,0,1,0,0|2,0,0]=4 2831 B9R1.34 Nc1cc(O)cc(O)c1 Amb2722870 [0,1,0,1,0,0|2,0,0]=4 2832 B9R1.34 Nc1cc(O)nc(Br)c1 Amb24505319 [0,1,0,1,0,0|2,0,0]=4 2833 B9R1.34 Nc1cc(O)nc(Cl)c1 Amb22276467 [0,1,0,1,0,0|2,0,0]=4 2834 B9R1.34 O=C1C=C(Br)C=C(Br)N1 Amb27240182 [0,1,0,1,0,0|2,0,0]=4 2835 B9R1.34 O=C1C=C(Br)C=C(Cl)N1 Amb22899582 [0,1,0,1,0,0|2,0,0]=4 2836 B9R1.34 O=C1C=C(Br)C=C(O)N1 Amb25919559 [0,1,0,1,0,0|2,0,0]=4 2837 B9R1.34 O=C1C=C(Cl)C=C(Cl)N1 Amb22001851 [0,1,0,1,0,0|2,0,0]=4 2838 B9R1.34 O=C1C=C(Cl)C=C(O)N1 Amb25760719 [0,1,0,1,0,0|2,0,0]=4 2839 B9R1.34 O=C1C=C(Cl)NC(=O)O1 Amb27793062 [0,1,0,1,0,0|2,0,0]=4 2840 B9R1.34 O=C1C=C(O)CC(=O)O1 Amb25689610 [0,1,0,1,0,0|1,0,1]=4 2841 B9R1.34 O=C1C=C(O)NC(O)=C1 Amb24675810 [0,1,0,1,0,0|2,0,0]=4 2842 B9R1.34 Oc1cc(Br)cc(Br)c1 Amb5722317 [0,1,0,1,0,0|2,0,0]=4 2843 B9R1.34 Oc1cc(Br)cc(I)c1 Amb22233169 [0,1,0,1,0,0|2,0,0]=4 2844 B9R1.34 Oc1cc(Cl)cc(Br)c1 Amb6297162 [0,1,0,1,0,0|2,0,0]=4 2845 B9R1.34 Oc1cc(Cl)cc(Br)n1 Amb25924335 [0,1,0,1,0,0|2,0,0]=4 2846 B9R1.34 Oc1cc(Cl)cc(Cl)c1 Amb1152990 [0,1,0,1,0,0|2,0,0]=4 2847 B9R1.34 Oc1cc(Cl)cc(F)n1 Amb27949168 [0,1,0,1,0,0|2,0,0]=4 2848 B9R1.34 Oc1cc(Cl)cc(I)c1 Amb22752809 [0,1,0,1,0,0|2,0,0]=4 2849 B9R1.34 Oc1cc(F)cc(Br)c1 Amb6298286 [0,1,0,1,0,0|2,0,0]=4 2850 B9R1.34 Oc1cc(F)cc(Cl)c1 Amb2684169 [0,1,0,1,0,0|2,0,0]=4 2851 B9R1.34 Oc1cc(F)cc(Cl)n1 Amb27975408 [0,1,0,1,0,0|2,0,0]=4 2852 B9R1.34 Oc1cc(F)cc(F)c1 Amb2687213 [0,1,0,1,0,0|2,0,0]=4 2853 B9R1.34 Oc1cc(F)cc(F)n1 Amb27485004 [0,1,0,1,0,0|2,0,0]=4 2854 B9R1.34 Oc1cc(F)cc(I)c1 Amb22756340 [0,1,0,1,0,0|2,0,0]=4 2855 B9R1.34 Oc1cc(F)cc(I)n1 Amb26966063 [0,1,0,1,0,0|2,0,0]=4 2856 B9R1.34 Oc1cc(F)cc(S)c1 Amb26326212 [0,1,0,1,0,0|2,0,0]=4 2857 B9R1.34 Oc1cc(I)cc(Cl)n1 Amb25826674 [0,1,0,1,0,0|2,0,0]=4 2858 B9R1.34 Oc1cc(I)cc(F)n1 Amb27631414 [0,1,0,1,0,0|2,0,0]=4 2859 B9R1.34 Oc1cc(I)cc(I)c1 Amb21963902 [0,1,0,1,0,0|2,0,0]=4 2860 B9R1.34 Oc1cc(O)cc(Br)c1 Amb21962130 [0,1,0,1,0,0|2,0,0]=4 2861 B9R1.34 Oc1cc(O)cc(Cl)c1 Amb18124710 [0,1,0,1,0,0|2,0,0]=4 2862 B9R1.34 Oc1cc(O)cc(F)c1 Amb18642566 [0,1,0,1,0,0|2,0,0]=4 2863 B9R1.34 Oc1cc(O)cc(I)c1 Amb17616137 [0,1,0,1,0,0|2,0,0]=4 2864 B9R1.34 Oc1cc(O)cc(O)c1 Amb32668836 [0,1,0,1,0,0|2,0,0]=4 2865 B9R1.34 Oc1cc(O)cc(O)c1 Amb5395437 [0,1,0,1,0,0|2,0,0]=4 2866 B9R1.34 Oc1cc(O)cc(O)c1 Amb6357344 [0,1,0,1,0,0|2,0,0]=4 2867 B9R1.34 Oc1cc(O)nc(Cl)c1 Amb24529251 [0,1,0,1,0,0|2,0,0]=4 2868 B9R1.41 C=C(C)c1sccc1C Amb27235420 [0,1,0,1,0,0|2,0,0]=4 2869 B9R1.41 C=C1C=CC=C1C(C)=O Amb25861278 [0,1,0,1,0,0|1,0,1]=4 2870 B9R1.41 CC(=O)C1=C([Na])CC=C1 Amb28321995 [0,1,0,1,0,0|2,0,0]=4 2871 B9R1.41 CC(=O)N1CC=CC1=O Amb22494822 [0,1,0,1,0,0|2,0,0]=4 2872 B9R1.41 CC(=O)c1cccn1C Amb3940343 [0,1,0,1,0,0|1,0,0]=3 2873 B9R1.41 CC(=O)c1cccn1N Amb25188906 [0,1,0,1,0,0|2,0,0]=4 2874 B9R1.41 CC(=O)c1ccnn1C Amb1995284 [0,1,0,1,0,0|2,0,0]=4 2875 B9R1.41 CC(=O)c1ccoc1Br Amb26393759 [0,1,0,1,0,0|2,0,0]=4 2876 B9R1.41 CC(=O)c1ccoc1C Amb28054842 [0,1,0,1,0,0|1,0,0]=3 2877 B9R1.41 CC(=O)c1ccoc1Cl Amb26081241 [0,1,0,1,0,0|2,0,0]=4 2878 B9R1.41 CC(=O)c1ccoc1O Amb27607192 [0,1,0,1,0,0|2,0,0]=4 2879 B9R1.41 CC(=O)c1ccsc1Br Amb22498154 [0,1,0,1,0,0|2,0,0]=4 2880 B9R1.41 CC(=O)c1ccsc1Cl Amb25147022 [0,1,0,1,0,0|2,0,0]=4 2881 B9R1.41 CC(=O)c1ccsc1N Amb16231458 [0,1,0,1,0,0|2,0,0]=4 2882 B9R1.41 CC(=O)c1ccsc1O Amb27964081 [0,1,0,1,0,0|2,0,0]=4 2883 B9R1.41 CC(=O)c1ccsc1S Amb25185349 [0,1,0,1,0,0|2,0,0]=4 2884 B9R1.41 CC(=O)c1cncn1C Amb18145080 [0,1,0,1,0,0|2,0,0]=4 2885 B9R1.41 CC(=O)c1cncn1C Amb33141030 [0,1,0,1,0,0|2,0,0]=4 2886 B9R1.41 CC(=O)c1cnoc1C Amb3428035 [0,1,0,1,0,0|2,0,0]=4 2887 B9R1.41 CC(=O)c1cocc1Br Amb27636721 [0,1,0,1,0,0|2,0,0]=4 2888 B9R1.41 CC(=O)c1conc1C Amb26443293 [0,1,0,1,0,0|2,0,0]=4 2889 B9R1.41 CC(=O)c1cscc1Br Amb22500733 [0,1,0,1,0,0|2,0,0]=4 2890 B9R1.41 CC(=O)c1cscc1Cl Amb22899017 [0,1,0,1,0,0|2,0,0]=4 2891 B9R1.41 CC(=O)c1cscc1F Amb18202408 [0,1,0,1,0,0|2,0,0]=4 2892 B9R1.41 CC(=O)c1csnc1C Amb28254620 [0,1,0,1,0,0|2,0,0]=4 2893 B9R1.41 CC(=O)c1nccn1C Amb16230260 [0,1,0,1,0,0|2,0,0]=4 2894 B9R1.41 CC(=O)c1ncoc1C Amb25245183 [0,1,0,1,0,0|2,0,0]=4 2895 B9R1.41 CC(=O)c1ncsc1C Amb18831707 [0,1,0,1,0,0|2,0,0]=4 2896 B9R1.41 CC(=O)c1occc1Br Amb19374756 [0,1,0,1,0,0|2,0,0]=4 2897 B9R1.41 CC(=O)c1occc1C Amb20668258 [0,1,0,1,0,0|1,0,0]=3 2898 B9R1.41 CC(=O)c1occc1Cl Amb27167140 [0,1,0,1,0,0|2,0,0]=4 2899 B9R1.41 CC(=O)c1occc1N Amb18832859 [0,1,0,1,0,0|2,0,0]=4 2900 B9R1.41 CC(=O)c1occc1O Amb28351437 [0,1,0,1,0,0|2,0,0]=4 2901 B9R1.41 CC(=O)c1oncc1C Amb18832846 [0,1,0,1,0,0|2,0,0]=4 2902 B9R1.41 CC(=O)c1sccc1Br Amb2440289 [0,1,0,1,0,0|2,0,0]=4 2903 B9R1.41 CC(=O)c1sccc1C Amb3940405 [0,1,0,1,0,0|1,0,0]=3 2904 B9R1.41 CC(=O)c1sccc1Cl Amb2415188 [0,1,0,1,0,0|2,0,0]=4 2905 B9R1.41 CC(=O)c1sccc1F Amb18831514 [0,1,0,1,0,0|2,0,0]=4 2906 B9R1.41 CC(=O)c1sccc1I Amb2611510 [0,1,0,1,0,0|2,0,0]=4 2907 B9R1.41 CC(=O)c1sccc1N Amb2724281 [0,1,0,1,0,0|2,0,0]=4 2908 B9R1.41 CC(=O)c1sccc1O Amb18202590 [0,1,0,1,0,0|2,0,0]=4 2909 B9R1.41 CC(=O)c1sccc1S Amb28195316 [0,1,0,1,0,0|2,0,0]=4 2910 B9R1.41 CC(=O)c1scnc1C Amb7969579 [0,1,0,1,0,0|2,0,0]=4 2911 B9R1.41 CC(=O)n1cccc1Br Amb27488240 [0,1,0,1,0,0|2,0,0]=4 2912 B9R1.41 CC(=O)n1cccc1C Amb28285118 [0,1,0,1,0,0|1,0,0]=3 2913 B9R1.41 CC(=O)n1cncc1C Amb27638909 [0,1,0,1,0,0|2,0,0]=4 2914 B9R1.41 CC(O)c1cccn1C Amb25348523 [0,1,0,1,0,0|1,0,1]=4 2915 B9R1.41 CC1=C(C(=O)O)CCC1 Amb4021851 [0,1,0,1,0,0|0,0,2]=4 2916 B9R1.41 CC1=C(C(=O)O)CCN1 Amb32672006 [0,1,0,1,0,0|0,0,2]=4 2917 B9R1.41 CC1=C(C(=O)O)CCO1 Amb26326654 [0,1,0,1,0,0|0,0,2]=4 2918 B9R1.41 CC1=C(C(=O)O)CCS1 Amb24750254 [0,1,0,1,0,0|0,0,2]=4 2919 B9R1.41 CC1=C(C(=O)O)CNC1 Amb28188857 [0,1,0,1,0,0|0,0,2]=4 2920 B9R1.41 CC1NCC=C1C(=O)O Amb27603549 [0,1,0,1,0,0|0,0,2]=4 2921 B9R1.41 CN1CC=CC1C(=O)O Amb15701264 [0,1,0,1,0,0|0,0,2]=4 2922 B9R1.41 CN1CC=CC1C(=O)O Amb22587153 [0,1,0,1,0,0|0,0,2]=4 2923 B9R1.41 C[C@@H](O)c1cccn1C Amb27179780 [0,1,0,1,0,0|1,0,1]=4 2924 B9R1.41 C[C@H](O)c1cccn1C Amb27805042 [0,1,0,1,0,0|1,0,1]=4 2925 B9R1.41 C\C(O)=C1\OC=CC1=O Amb25686104 [0,1,0,1,0,0|2,0,0]=4 2926 B9R1.41 Cc1ccnn1C(N)=O Amb17778918 [0,1,0,1,0,0|2,0,0]=4 2927 B9R1.41 Cc1ccoc1C(=N)N Amb24368716 [0,1,0,1,0,0|2,0,0]=4 2928 B9R1.41 Cc1ccoc1C(=N)N Amb8630637 [0,1,0,1,0,0|2,0,0]=4 2929 B9R1.41 Cc1ccoc1C(=O)Cl Amb2725685 [0,1,0,1,0,0|1,0,0]=3 2930 B9R1.41 Cc1ccoc1C(=O)O Amb1156943 [0,1,0,1,0,0|0,0,0]=2 2931 B9R1.41 Cc1ccoc1C(N)=O Amb8998946 [0,1,0,1,0,0|1,0,0]=3 2932 B9R1.41 Cc1ccoc1C(N)=S Amb25775196 [0,1,0,1,0,0|1,1,0]=4 2933 B9R1.41 Cc1ccoc1S(=O)O Amb27209285 [0,1,0,1,0,0|1,0,0]=3 2934 B9R1.41 Cc1ccoc1[C@@H](C)O Amb26578606 [0,1,0,1,0,0|1,0,1]=4 2935 B9R1.41 Cc1ccoc1[C@H](C)O Amb27653321 [0,1,0,1,0,0|1,0,1]=4 2936 B9R1.41 Cc1ccsc1B(O)O Amb6487342 [0,1,0,1,0,0|1,0,1]=4 2937 B9R1.41 Cc1ccsc1C(=N)N Amb8834124 [0,1,0,1,0,0|2,0,0]=4 2938 B9R1.41 Cc1ccsc1C(=O)Cl Amb2689730 [0,1,0,1,0,0|1,0,0]=3 2939 B9R1.41 Cc1ccsc1C(=O)O Amb2695360 [0,1,0,1,0,0|0,0,0]=2 2940 B9R1.41 Cc1ccsc1C(=O)[O-] Amb15691659 [0,1,0,1,0,0|0,0,1]=3 2941 B9R1.41 Cc1ccsc1C(C)O Amb24556518 [0,1,0,1,0,0|1,0,1]=4 2942 B9R1.41 Cc1ccsc1C(N)=O Amb8997731 [0,1,0,1,0,0|1,0,0]=3 2943 B9R1.41 Cc1ccsc1C(N)=S Amb1116860 [0,1,0,1,0,0|1,1,0]=4 2944 B9R1.41 Cc1ccsc1S(=O)[O-] Amb32754089 [0,1,0,1,0,0|1,0,1]=4 2945 B9R1.41 Cc1ccsc1[C@@H](C)O Amb25842069 [0,1,0,1,0,0|1,0,1]=4 2946 B9R1.41 Cc1ccsc1[C@H](C)O Amb25088944 [0,1,0,1,0,0|1,0,1]=4 2947 B9R1.41 Cc1ccsc1[N+](=O)[O-] Amb27862325 [0,1,0,1,0,0|1,0,1]=4 2948 B9R1.41 Cc1cnoc1C(=O)Cl Amb27466368 [0,1,0,1,0,0|2,0,0]=4 2949 B9R1.41 Cc1cnoc1C(=O)O Amb10071410 [0,1,0,1,0,0|1,0,0]=3 2950 B9R1.41 Cc1cnsc1C(=O)O Amb8439091 [0,1,0,1,0,0|1,0,0]=3 2951 B9R1.41 Cc1cocc1C(=O)O Amb22886569 [0,1,0,1,0,0|0,0,0]=2 2952 B9R1.41 Cc1cocc1C(C)O Amb27184714 [0,1,0,1,0,0|1,0,1]=4 2953 B9R1.41 Cc1cocc1C(N)=O Amb27780012 [0,1,0,1,0,0|1,0,0]=3 2954 B9R1.41 Cc1cocc1S(=O)[O-] Amb32755541 [0,1,0,1,0,0|1,0,1]=4 2955 B9R1.41 Cc1conc1C(=O)O Amb33545063 [0,1,0,1,0,0|1,0,0]=3 2956 B9R1.41 Cc1cscc1B(O)O Amb19515847 [0,1,0,1,0,0|1,0,1]=4 2957 B9R1.41 Cc1cscc1C(=N)N Amb26910871 [0,1,0,1,0,0|2,0,0]=4 2958 B9R1.41 Cc1cscc1C(=O)Cl Amb28145070 [0,1,0,1,0,0|1,0,0]=3 2959 B9R1.41 Cc1cscc1C(=O)O Amb20240802 [0,1,0,1,0,0|0,0,0]=2 2960 B9R1.41 Cc1cscc1C(C)O Amb27494376 [0,1,0,1,0,0|1,0,1]=4 2961 B9R1.41 Cc1cscc1C(N)=O Amb24699178 [0,1,0,1,0,0|1,0,0]=3 2962 B9R1.41 Cc1cscc1[C@@H](C)O Amb27441437 [0,1,0,1,0,0|1,0,1]=4 2963 B9R1.41 Cc1cscc1[C@H](C)O Amb24671755 [0,1,0,1,0,0|1,0,1]=4 2964 B9R1.41 Cc1cscc1[N+](=O)[O-] Amb27205060 [0,1,0,1,0,0|1,0,1]=4 2965 B9R1.41 Cc1ncoc1C(=O)Cl Amb2723147 [0,1,0,1,0,0|2,0,0]=4 2966 B9R1.41 Cc1ncoc1C(=O)O Amb2723146 [0,1,0,1,0,0|1,0,0]=3 2967 B9R1.41 Cc1ncoc1C(N)=O Amb2689573 [0,1,0,1,0,0|2,0,0]=4 2968 B9R1.41 Cc1ncsc1C(=O)Cl Amb6743387 [0,1,0,1,0,0|2,0,0]=4 2969 B9R1.41 Cc1ncsc1C(=O)O Amb6336150 [0,1,0,1,0,0|1,0,0]=3 2970 B9R1.41 Cc1nnsc1C(=O)O Amb1063483 [0,1,0,1,0,0|2,0,0]=4 2971 B9R1.41 Cc1nocc1C(=O)Cl Amb22750335 [0,1,0,1,0,0|2,0,0]=4 2972 B9R1.41 Cc1nocc1C(=O)O Amb2724897 [0,1,0,1,0,0|1,0,0]=3 2973 B9R1.41 Cc1nocc1C(N)=O Amb27258915 [0,1,0,1,0,0|2,0,0]=4 2974 B9R1.41 Cc1nonc1C(=O)O Amb6315738 [0,1,0,1,0,0|2,0,0]=4 2975 B9R1.41 Cc1nscc1C(=O)O Amb8010605 [0,1,0,1,0,0|1,0,0]=3 2976 B9R1.41 Cc1nscc1C(N)=O Amb23441230 [0,1,0,1,0,0|2,0,0]=4 2977 B9R1.41 Cc1nsnc1C(=O)O Amb18124672 [0,1,0,1,0,0|2,0,0]=4 2978 B9R1.41 Cc1occc1B(O)O Amb22754010 [0,1,0,1,0,0|1,0,1]=4 2979 B9R1.41 Cc1occc1C(=N)N Amb25256057 [0,1,0,1,0,0|2,0,0]=4 2980 B9R1.41 Cc1occc1C(=N)N Amb8630643 [0,1,0,1,0,0|2,0,0]=4 2981 B9R1.41 Cc1occc1C(=O)Cl Amb2782014 [0,1,0,1,0,0|1,0,0]=3 2982 B9R1.41 Cc1occc1C(=O)O Amb1102055 [0,1,0,1,0,0|0,0,0]=2 2983 B9R1.41 Cc1occc1C(N)=O Amb8858551 [0,1,0,1,0,0|1,0,0]=3 2984 B9R1.41 Cc1occc1C(N)=S Amb25049363 [0,1,0,1,0,0|1,1,0]=4 2985 B9R1.41 Cc1occc1[C@@H](C)O Amb27768676 [0,1,0,1,0,0|1,0,1]=4 2986 B9R1.41 Cc1occc1[C@H](C)O Amb24403069 [0,1,0,1,0,0|1,0,1]=4 2987 B9R1.41 Cc1occc1[N+](=O)[O-] Amb27858470 [0,1,0,1,0,0|1,0,1]=4 2988 B9R1.41 Cc1ocnc1C(=O)Cl Amb10071436 [0,1,0,1,0,0|2,0,0]=4 2989 B9R1.41 Cc1ocnc1C(=O)O Amb10067408 [0,1,0,1,0,0|1,0,0]=3 2990 B9R1.41 Cc1ocnc1C(N)=O Amb25141600 [0,1,0,1,0,0|2,0,0]=4 2991 B9R1.41 Cc1oncc1C(=O)Cl Amb2455919 [0,1,0,1,0,0|2,0,0]=4 2992 B9R1.41 Cc1oncc1C(=O)O Amb2371765 [0,1,0,1,0,0|1,0,0]=3 2993 B9R1.41 Cc1oncc1C(N)=O Amb8998950 [0,1,0,1,0,0|2,0,0]=4 2994 B9R1.41 Cc1onnc1C(=O)O Amb10071418 [0,1,0,1,0,0|2,0,0]=4 2995 B9R1.41 Cc1sccc1B(O)O Amb16234310 [0,1,0,1,0,0|1,0,1]=4 2996 B9R1.41 Cc1sccc1C(=N)N Amb28133315 [0,1,0,1,0,0|2,0,0]=4 2997 B9R1.41 Cc1sccc1C(=O)Cl Amb25320759 [0,1,0,1,0,0|1,0,0]=3 2998 B9R1.41 Cc1sccc1C(=O)O Amb2447618 [0,1,0,1,0,0|0,0,0]=2 2999 B9R1.41 Cc1sccc1C(N)=O Amb8496178 [0,1,0,1,0,0|1,0,0]=3 3000 B9R1.41 Cc1sccc1[N+](=O)[O-] Amb5720240 [0,1,0,1,0,0|1,0,1]=4 3001 B9R1.41 Cc1scnc1C(=O)O Amb10067521 [0,1,0,1,0,0|1,0,0]=3 3002 B9R1.41 Cc1scnc1C(N)=O Amb22498462 [0,1,0,1,0,0|2,0,0]=4 3003 B9R1.41 Cc1sncc1C(=O)O Amb18202488 [0,1,0,1,0,0|1,0,0]=3 3004 B9R1.41 Cc1snnc1C(=O)O Amb1981486 [0,1,0,1,0,0|2,0,0]=4 3005 B9R1.41 Cn1cccc1B(O)O Amb16185674 [0,1,0,1,0,0|1,0,1]=4 3006 B9R1.41 Cn1cccc1C(=N)N Amb31097722 [0,1,0,1,0,0|2,0,0]=4 3007 B9R1.41 Cn1cccc1C(=O)O Amb1151288 [0,1,0,1,0,0|0,0,0]=2 3008 B9R1.41 Cn1cccc1C(N)=O Amb2604322 [0,1,0,1,0,0|1,0,0]=3 3009 B9R1.41 Cn1cccc1C(N)=S Amb25032223 [0,1,0,1,0,0|1,1,0]=4 3010 B9R1.41 Cn1cccc1C(N)O Amb25349340 [0,1,0,1,0,0|1,0,1]=4 3011 B9R1.41 Cn1cccc1S(=O)[O-] Amb32754674 [0,1,0,1,0,0|1,0,1]=4 3012 B9R1.41 Cn1cccc1[N+](=O)[O-] Amb27870456 [0,1,0,1,0,0|1,0,1]=4 3013 B9R1.41 Cn1ccnc1C(=O)Cl Amb10844843 [0,1,0,1,0,0|2,0,0]=4 3014 B9R1.41 Cn1ccnc1C(=O)Cl Amb33496155 [0,1,0,1,0,0|2,0,0]=4 3015 B9R1.41 Cn1ccnc1C(=O)O Amb1107172 [0,1,0,1,0,0|1,0,0]=3 3016 B9R1.41 Cn1ccnc1C(=O)[O-] Amb13951582 [0,1,0,1,0,0|1,0,1]=4 3017 B9R1.41 Cn1ccnc1C(=O)[O-] Amb33512890 [0,1,0,1,0,0|1,0,1]=4 3018 B9R1.41 Cn1ccnc1C(=O)[O-] Amb33542621 [0,1,0,1,0,0|1,0,1]=4 3019 B9R1.41 Cn1ccnc1C(N)=O Amb2415054 [0,1,0,1,0,0|2,0,0]=4 3020 B9R1.41 Cn1cncc1C(=O)Cl Amb10844742 [0,1,0,1,0,0|2,0,0]=4 3021 B9R1.41 Cn1cncc1C(=O)Cl Amb2723357 [0,1,0,1,0,0|2,0,0]=4 3022 B9R1.41 Cn1cncc1C(=O)O Amb2723356 [0,1,0,1,0,0|1,0,0]=3 3023 B9R1.41 Cn1cncc1C(N)=O Amb10070980 [0,1,0,1,0,0|2,0,0]=4 3024 B9R1.41 Cn1cncc1S(=O)O Amb32992460 [0,1,0,1,0,0|2,0,0]=4 3025 B9R1.41 Cn1cnnc1C(=O)O Amb25368216 [0,1,0,1,0,0|2,0,0]=4 3026 B9R1.41 Cn1nccc1C(=O)Cl Amb2692455 [0,1,0,1,0,0|2,0,0]=4 3027 B9R1.41 Cn1nccc1C(=O)O Amb1068318 [0,1,0,1,0,0|1,0,0]=3 3028 B9R1.41 Cn1nccc1C(N)=O Amb1948450 [0,1,0,1,0,0|2,0,0]=4 3029 B9R1.41 Cn1ncnc1C(=O)O Amb16230756 [0,1,0,1,0,0|2,0,0]=4 3030 B9R1.41 Cn1nncc1C(=O)O Amb33542668 [0,1,0,1,0,0|2,0,0]=4 3031 B9R1.41 NC(=O)c1cccn1N Amb10067897 [0,1,0,1,0,0|2,0,0]=4 3032 B9R1.41 NC(=O)c1cccn1N Amb23440206 [0,1,0,1,0,0|2,0,0]=4 3033 B9R1.41 NC(=O)c1cccn1O Amb28136084 [0,1,0,1,0,0|2,0,0]=4 3034 B9R1.41 NC(=O)c1ccsc1Cl Amb28145949 [0,1,0,1,0,0|2,0,0]=4 3035 B9R1.41 NC(=O)c1ccsc1I Amb28052821 [0,1,0,1,0,0|2,0,0]=4 3036 B9R1.41 NC(=O)c1ccsc1N Amb6335617 [0,1,0,1,0,0|2,0,0]=4 3037 B9R1.41 NC(=O)c1cscc1Br Amb24610632 [0,1,0,1,0,0|2,0,0]=4 3038 B9R1.41 NC(=O)c1occc1N Amb27882622 [0,1,0,1,0,0|2,0,0]=4 3039 B9R1.41 NC(=O)c1occc1N Amb33624323 [0,1,0,1,0,0|2,0,0]=4 3040 B9R1.41 NC(=O)c1sccc1Br Amb2782198 [0,1,0,1,0,0|2,0,0]=4 3041 B9R1.41 NC(=O)c1sccc1Cl Amb2433270 [0,1,0,1,0,0|2,0,0]=4 3042 B9R1.41 NC(=O)c1sccc1F Amb24681772 [0,1,0,1,0,0|2,0,0]=4 3043 B9R1.41 NC(=O)c1sccc1I Amb27667540 [0,1,0,1,0,0|2,0,0]=4 3044 B9R1.41 NC(=O)c1sccc1N Amb2684537 [0,1,0,1,0,0|2,0,0]=4 3045 B9R1.41 NC(=O)c1sccc1O Amb1398894 [0,1,0,1,0,0|2,0,0]=4 3046 B9R1.41 NC(=O)c1sccc1S Amb24594973 [0,1,0,1,0,0|2,0,0]=4 3047 B9R1.41 NC(=O)n1cccc1N Amb26869346 [0,1,0,1,0,0|2,0,0]=4 3048 B9R1.41 NC1=C(C(=O)O)CCC1 Amb20240586 [0,1,0,1,0,0|0,0,2]=4 3049 B9R1.41 NC1=NC=CC1C(=O)O Amb28293193 [0,1,0,1,0,0|1,0,1]=4 3050 B9R1.41 NC1C=CCC1C(=O)O Amb25723511 [0,1,0,1,0,0|0,0,2]=4 3051 B9R1.41 N[C@@H]1C=CC[C@@H]1C(=O)O Amb33716093 [0,1,0,1,0,0|0,0,2]=4 3052 B9R1.41 N[C@H]1C=CC[C@H]1C(=O)O Amb26425593 [0,1,0,1,0,0|0,0,2]=4 3053 B9R1.41 N[C@H]1C=CC[C@H]1C(=O)O Amb31307611 [0,1,0,1,0,0|0,0,2]=4 3054 B9R1.41 Nc1ccoc1C(=O)O Amb18832709 [0,1,0,1,0,0|1,0,0]=3 3055 B9R1.41 Nc1ccsc1C(=O)O Amb19888389 [0,1,0,1,0,0|1,0,0]=3 3056 B9R1.41 Nc1ccsc1C(=O)O Amb2695071 [0,1,0,1,0,0|1,0,0]=3 3057 B9R1.41 Nc1ccsc1C(=O)[O-] Amb35782038 [0,1,0,1,0,0|1,0,1]=4 3058 B9R1.41 Nc1cnsc1C(=O)O Amb18831515 [0,1,0,1,0,0|2,0,0]=4 3059 B9R1.41 Nc1cscc1C(=O)O Amb10071408 [0,1,0,1,0,0|1,0,0]=3 3060 B9R1.41 Nc1csnc1C(=O)O Amb10068068 [0,1,0,1,0,0|2,0,0]=4 3061 B9R1.41 Nc1csnc1C(=O)O Amb1068363 [0,1,0,1,0,0|2,0,0]=4 3062 B9R1.41 Nc1csnc1C(=O)O Amb20669014 [0,1,0,1,0,0|2,0,0]=4 3063 B9R1.41 Nc1ncsc1C(=O)O Amb24481890 [0,1,0,1,0,0|2,0,0]=4 3064 B9R1.41 Nc1nocc1C(=O)O Amb22499456 [0,1,0,1,0,0|2,0,0]=4 3065 B9R1.41 Nc1nscc1C(=O)O Amb22587515 [0,1,0,1,0,0|2,0,0]=4 3066 B9R1.41 Nc1oncc1C(=O)O Amb18636491 [0,1,0,1,0,0|2,0,0]=4 3067 B9R1.41 Nc1sccc1C(=O)O Amb4296914 [0,1,0,1,0,0|1,0,0]=3 3068 B9R1.41 Nc1scnc1C(=O)O Amb25302896 [0,1,0,1,0,0|2,0,0]=4 3069 B9R1.41 Nn1cccc1C(=O)O Amb28143308 [0,1,0,1,0,0|1,0,0]=3 3070 B9R1.41 Nn1ccnc1C(=O)O Amb24470695 [0,1,0,1,0,0|2,0,0]=4 3071 B9R1.41 O=C(Cl)c1ccoc1Br Amb6572340 [0,1,0,1,0,0|2,0,0]=4 3072 B9R1.41 O=C(Cl)c1ccoc1Cl Amb27411494 [0,1,0,1,0,0|2,0,0]=4 3073 B9R1.41 O=C(Cl)c1cscc1Cl Amb27265816 [0,1,0,1,0,0|2,0,0]=4 3074 B9R1.41 O=C(Cl)c1occc1Br Amb7990095 [0,1,0,1,0,0|2,0,0]=4 3075 B9R1.41 O=C(Cl)c1occc1Cl Amb25147033 [0,1,0,1,0,0|2,0,0]=4 3076 B9R1.41 O=C(Cl)c1occc1I Amb28196414 [0,1,0,1,0,0|2,0,0]=4 3077 B9R1.41 O=C(Cl)c1sccc1Br Amb2725784 [0,1,0,1,0,0|2,0,0]=4 3078 B9R1.41 O=C(Cl)c1sccc1Cl Amb2686484 [0,1,0,1,0,0|2,0,0]=4 3079 B9R1.41 O=C(O)C1=C(Cl)CCC1 Amb2612728 [0,1,0,1,0,0|0,0,2]=4 3080 B9R1.41 O=C(O)C1=C(S)CCC1 Amb27815303 [0,1,0,1,0,0|0,0,2]=4 3081 B9R1.41 O=C(O)C1=CC=CC1Cl Amb27780445 [0,1,0,1,0,0|0,0,0]=2 3082 B9R1.41 O=C(O)C1=CCCC1O Amb27251744 [0,1,0,1,0,0|0,0,2]=4 3083 B9R1.41 O=C(O)C1=CONC1=O Amb18832582 [0,1,0,1,0,0|2,0,0]=4 3084 B9R1.41 O=C(O)C1=CSSC1=S Amb28076749 [0,1,0,1,0,0|2,0,0]=4 3085 B9R1.41 O=C(O)c1ccoc1Br Amb33544509 [0,1,0,1,0,0|1,0,0]=3 3086 B9R1.41 O=C(O)c1ccoc1Cl Amb25731243 [0,1,0,1,0,0|1,0,0]=3 3087 B9R1.41 O=C(O)c1ccoc1F Amb27241158 [0,1,0,1,0,0|1,0,0]=3 3088 B9R1.41 O=C(O)c1ccoc1I Amb25889545 [0,1,0,1,0,0|1,0,0]=3 3089 B9R1.41 O=C(O)c1ccsc1Br Amb2724056 [0,1,0,1,0,0|1,0,0]=3 3090 B9R1.41 O=C(O)c1ccsc1Cl Amb10576176 [0,1,0,1,0,0|1,0,0]=3 3091 B9R1.41 O=C(O)c1ccsc1F Amb2611690 [0,1,0,1,0,0|1,0,0]=3 3092 B9R1.41 O=C(O)c1ccsc1I Amb24741705 [0,1,0,1,0,0|1,0,0]=3 3093 B9R1.41 O=C(O)c1cnoc1Cl Amb18202171 [0,1,0,1,0,0|2,0,0]=4 3094 B9R1.41 O=C(O)c1cocc1Br Amb27454338 [0,1,0,1,0,0|1,0,0]=3 3095 B9R1.41 O=C(O)c1cocc1Cl Amb18202241 [0,1,0,1,0,0|1,0,0]=3 3096 B9R1.41 O=C(O)c1cscc1Br Amb33548878 [0,1,0,1,0,0|1,0,0]=3 3097 B9R1.41 O=C(O)c1cscc1Cl Amb5720835 [0,1,0,1,0,0|1,0,0]=3 3098 B9R1.41 O=C(O)c1cscc1F Amb28364282 [0,1,0,1,0,0|1,0,0]=3 3099 B9R1.41 O=C(O)c1cscc1I Amb27235489 [0,1,0,1,0,0|1,0,0]=3 3100 B9R1.41 O=C(O)c1cscc1O Amb18124673 [0,1,0,1,0,0|1,0,0]=3 3101 B9R1.41 O=C(O)c1cscc1S Amb18126245 [0,1,0,1,0,0|1,0,0]=3 3102 B9R1.41 O=C(O)c1csnc1Br Amb24350581 [0,1,0,1,0,0|2,0,0]=4 3103 B9R1.41 O=C(O)c1csnc1Cl Amb10602285 [0,1,0,1,0,0|2,0,0]=4 3104 B9R1.41 O=C(O)c1ncsc1Br Amb10067425 [0,1,0,1,0,0|2,0,0]=4 3105 B9R1.41 O=C(O)c1ncsc1S Amb26964290 [0,1,0,1,0,0|2,0,0]=4 3106 B9R1.41 O=C(O)c1nocc1Br Amb27813383 [0,1,0,1,0,0|2,0,0]=4 3107 B9R1.41 O=C(O)c1nocc1Cl Amb33496115 [0,1,0,1,0,0|2,0,0]=4 3108 B9R1.41 O=C(O)c1nocc1O Amb22055438 [0,1,0,1,0,0|2,0,0]=4 3109 B9R1.41 O=C(O)c1nscc1Br Amb25827572 [0,1,0,1,0,0|2,0,0]=4 3110 B9R1.41 O=C(O)c1nscc1I Amb25161872 [0,1,0,1,0,0|2,0,0]=4 3111 B9R1.41 O=C(O)c1occc1Br Amb7990094 [0,1,0,1,0,0|1,0,0]=3 3112 B9R1.41 O=C(O)c1occc1Cl Amb18202245 [0,1,0,1,0,0|1,0,0]=3 3113 B9R1.41 O=C(O)c1occc1F Amb26497027 [0,1,0,1,0,0|1,0,0]=3 3114 B9R1.41 O=C(O)c1sccc1Br Amb2685506 [0,1,0,1,0,0|1,0,0]=3 3115 B9R1.41 O=C(O)c1sccc1Cl Amb2686485 [0,1,0,1,0,0|1,0,0]=3 3116 B9R1.41 O=C(O)c1sccc1F Amb33542984 [0,1,0,1,0,0|1,0,0]=3 3117 B9R1.41 O=C(O)c1sccc1I Amb2688890 [0,1,0,1,0,0|1,0,0]=3 3118 B9R1.41 O=C(O)c1sccc1O Amb10069920 [0,1,0,1,0,0|1,0,0]=3 3119 B9R1.41 O=C(O)c1scnc1Br Amb18778174 [0,1,0,1,0,0|2,0,0]=4 3120 B9R1.41 O=C(O)c1scnc1Cl Amb6479171 [0,1,0,1,0,0|2,0,0]=4 3121 B9R1.41 O=C(O)c1scnc1S Amb27490987 [0,1,0,1,0,0|2,0,0]=4 3122 B9R1.41 O=C(O)c1sncc1Br Amb17595558 [0,1,0,1,0,0|2,0,0]=4 3123 B9R1.41 O=C(O)c1sncc1Cl Amb17594060 [0,1,0,1,0,0|2,0,0]=4 3124 B9R1.41 O=C([O-])c1sccc1Cl Amb15691661 [0,1,0,1,0,0|1,0,1]=4 3125 B9R1.41 O=S(O)c1cscc1Br Amb33734475 [0,1,0,1,0,0|2,0,0]=4 3126 B9R1.48 CC1=CC=CC=C(C)O1 Amb26521492 [0,1,0,1,0,0|1,0,0]=3 3127 B9R1.48 CC1=CC=CNC(=O)N1 Amb28285240 [0,1,0,1,0,0|1,0,0]=3 3128 B9R1.48 CC1C=CCOC(=O)N1 Amb28049860 [0,1,0,1,0,0|1,0,1]=4 3129 B9R1.48 NC1=CC(=O)C=CC=C1 Amb24683732 [0,1,0,1,0,0|1,0,1]=4 3130 B9R1.48 NC1=NC(=O)NCC=C1 Amb27470905 [0,1,0,1,0,0|2,0,0]=4 3131 B9R1.48 O=C1C=CC=CC(=O)N1 Amb27790888 [0,1,0,1,0,0|1,0,1]=4 3132 B9R1.48 O=C1C=CC=CC(Cl)=C1 Amb28206323 [0,1,0,1,0,0|1,0,1]=4 3133 B9R1.48 O=C1C=CC=CC(O)C1 Amb28430523 [0,1,0,1,0,0|1,0,0]=3 3134 B9R1.48 OC1C=CC=CC(O)C1 Amb27770332 [0,1,0,1,0,0|1,0,1]=4 3135 B9R1.52 CC1=CC(C)C1C(=O)O Amb28281140 [0,1,0,1,0,0|0,0,2]=4 3136 B9R1.59 C\C=C\C1CC1C(=O)O Amb27169581 [0,1,0,1,0,0|0,0,2]=4 3137 B9R1.59 C\C=C\[C@@H]1C[C@H]1C(=O)O Amb27771439 [0,1,0,1,0,0|0,0,2]=4 3138 B9R1.66 CC1(C)OC=CC(=O)O1 Amb27635269 [0,1,0,1,0,0|1,0,1]=4 3139 B9R1.75 C\C=C\C(=O)C=C1CC1 Amb27838815 [0,1,0,1,0,0|2,0,0]=4 3140 B9R1.137 C\C(=C/C(=O)O)C1CC1 Amb10609547 [0,1,0,1,0,0|0,0,2]=4 3141 B9R1.137 C\C(=C\C(=O)O)C1CC1 Amb10718081 [0,1,0,1,0,0|0,0,2]=4 3142 B9R1.137 O=C(O)\C=C(\Cl)C1CC1 Amb25272142 [0,1,0,1,0,0|0,0,2]=4 3143 B9R1.1 C=Cc1ccc(O)cc1 Amb10603802 [0,1,0,1,0,0|1,0,1]=4 3144 B9R1.1 C=Cc1ccc(O)cn1 Amb26512884 [0,1,0,1,0,0|1,0,1]=4 3145 B9R1.1 C=Cc1ccc(O)nc1 Amb23446716 [0,1,0,1,0,0|1,0,1]=4 3146 B9R1.1 CC=C1C=CC(=O)C=C1 Amb28285289 [0,1,0,1,0,0|1,0,0]=3 3147 B9R1.1 CCC1=CNC(=O)C=C1 Amb19889888 [0,1,0,1,0,0|1,0,1]=4 3148 B9R1.1 CCC1=NNC(=O)C=C1 Amb27945358 [0,1,0,1,0,0|1,0,1]=4 3149 B9R1.1 CCc1ccc(O)cc1 Amb2227602 [0,1,0,1,0,0|1,0,1]=4 3150 B9R1.1 CCc1ccc(O)cn1 Amb10573735 [0,1,0,1,0,0|1,0,1]=4 3151 B9R1.1 CCc1ccc(O)nc1 Amb10600532 [0,1,0,1,0,0|1,0,1]=4 3152 B9R1.1 CNC1=CNC(=O)C=C1 Amb27946359 [0,1,0,1,0,0|2,0,0]=4 3153 B9R1.1 CNc1ccc(O)cc1 Amb1146863 [0,1,0,1,0,0|2,0,0]=4 3154 B9R1.1 CNc1ccc(O)cc1 Amb2370692 [0,1,0,1,0,0|2,0,0]=4 3155 B9R1.1 CNc1ccc(O)cc1 Amb8513523 [0,1,0,1,0,0|2,0,0]=4 3156 B9R1.1 COC1C=CC(=O)CO1 Amb24713481 [0,1,0,1,0,0|1,0,1]=4 3157 B9R1.1 CO[C@@H]1C=CC(=O)CO1 Amb27265732 [0,1,0,1,0,0|1,0,1]=4 3158 B9R1.1 COc1ccc(O)cc1 Amb2725498 [0,1,0,1,0,0|2,0,0]=4 3159 B9R1.1 COc1ccc(O)cn1 Amb2696900 [0,1,0,1,0,0|2,0,0]=4 3160 B9R1.1 COc1ccc(O)nc1 Amb18642264 [0,1,0,1,0,0|2,0,0]=4 3161 B9R1.1 COc1ccc(O)nn1 Amb21984418 [0,1,0,1,0,0|2,0,0]=4 3162 B9R1.1 CSC1=NNC(=O)C=C1 Amb27186171 [0,1,0,1,0,0|2,0,0]=4 3163 B9R1.1 CSc1ccc(O)cc1 Amb2689508 [0,1,0,1,0,0|2,0,0]=4 3164 B9R1.1 CSc1ccc(O)cn1 Amb26573661 [0,1,0,1,0,0|2,0,0]=4 3165 B9R1.1 N#CC1=COC(=O)C=C1 Amb22304830 [0,1,0,1,0,0|1,0,1]=4 3166 B9R1.1 N=Cc1ccc(O)cc1 Amb17593236 [0,1,0,1,0,0|2,0,0]=4 3167 B9R1.1 O=C1C=CC(CO)=CO1 Amb25835811 [0,1,0,1,0,0|1,0,1]=4 3168 B9R1.1 O=CC1=CNC(=O)C=C1 Amb18642085 [0,1,0,1,0,0|2,0,0]=4 3169 B9R1.1 O=CC1=NNC(=O)C=C1 Amb18848569 [0,1,0,1,0,0|2,0,0]=4 3170 B9R1.1 O=Cc1ccc(O)cc1 Amb1873769 [0,1,0,1,0,0|2,0,0]=4 3171 B9R1.1 O=Cc1ccc(O)cn1 Amb4561049 [0,1,0,1,0,0|2,0,0]=4 3172 B9R1.1 O=Cc1ccc(O)nc1 Amb6384363 [0,1,0,1,0,0|2,0,0]=4 3173 B9R1.2 BrCc1cccc(Br)c1 Amb2684959 [0,1,0,1,0,0|2,0,0]=4 3174 B9R1.2 BrCc1cccc(Br)n1 Amb23437267 [0,1,0,1,0,0|2,0,0]=4 3175 B9R1.2 BrCc1cccc(Br)n1 Amb8386705 [0,1,0,1,0,0|2,0,0]=4 3176 B9R1.2 BrCc1cccc(I)c1 Amb2688843 [0,1,0,1,0,0|2,0,0]=4 3177 B9R1.2 Brc1cccc(CI)n1 Amb20248558 [0,1,0,1,0,0|2,0,0]=4 3178 B9R1.2 C#CC1=CC=CC(=O)N1 Amb22499428 [0,1,0,1,0,0|1,0,1]=4 3179 B9R1.2 C#Cc1cccc(C)c1 Amb8394568 [0,1,0,1,0,0|2,0,0]=4 3180 B9R1.2 C#Cc1cccc(C)n1 Amb19516788 [0,1,0,1,0,0|2,0,0]=4 3181 B9R1.2 C#Cc1cccc(O)c1 Amb2720491 [0,1,0,1,0,0|1,0,1]=4 3182 B9R1.2 C=CC1=CC=CC(=O)N1 Amb24740217 [0,1,0,1,0,0|1,0,1]=4 3183 B9R1.2 C=CC1=NC(=O)NC=C1 Amb27446019 [0,1,0,1,0,0|1,0,1]=4 3184 B9R1.2 C=Cc1cc(O)ccn1 Amb26981946 [0,1,0,1,0,0|1,0,1]=4 3185 B9R1.2 C=Cc1cccc(C)c1 Amb3940473 [0,1,0,1,0,0|2,0,0]=4 3186 B9R1.2 C=Cc1cccc(C)n1 Amb2695276 [0,1,0,1,0,0|2,0,0]=4 3187 B9R1.2 C=Cc1cccc(O)c1 Amb17593228 [0,1,0,1,0,0|1,0,1]=4 3188 B9R1.2 C=Cc1cncc(O)c1 Amb26899030 [0,1,0,1,0,0|1,0,1]=4 3189 B9R1.2 C=Nc1cccc(C)c1 Amb24481887 [0,1,0,1,0,0|2,0,0]=4 3190 B9R1.2 CC1=CC=C\C(=N/N)N1 Amb21963540 [0,1,0,1,0,0|2,0,0]=4 3191 B9R1.2 CCC1=CC=CC(=S)N1 Amb35707039 [0,1,0,1,0,0|1,1,0]=4 3192 B9R1.2 CCC1=NC=CC(=O)N1 Amb22829910 [0,1,0,1,0,0|1,0,1]=4 3193 B9R1.2 CCC1CC=CC(=O)O1 Amb27480728 [0,1,0,1,0,0|0,0,2]=4 3194 B9R1.2 CC[n+]1cccc(O)c1 Amb27437117 [0,1,0,1,0,0|1,0,1]=4 3195 B9R1.2 CC[n+]1cccc(O)c1 Amb28555590 [0,1,0,1,0,0|1,0,1]=4 3196 B9R1.2 CC[n+]1cccc(O)c1 Amb9793321 [0,1,0,1,0,0|1,0,1]=4 3197 B9R1.2 CCc1cc(O)ccn1 Amb10599878 [0,1,0,1,0,0|1,0,1]=4 3198 B9R1.2 CCc1cccc(Br)c1 Amb2691840 [0,1,0,1,0,0|2,0,0]=4 3199 B9R1.2 CCc1cccc(Br)n1 Amb10599852 [0,1,0,1,0,0|2,0,0]=4 3200 B9R1.2 CCc1cccc(C)c1 Amb9787670 [0,1,0,1,0,0|2,0,0]=4 3201 B9R1.2 CCc1cccc(C)n1 Amb2722908 [0,1,0,1,0,0|2,0,0]=4 3202 B9R1.2 CCc1cccc(Cl)c1 Amb20620699 [0,1,0,1,0,0|2,0,0]=4 3203 B9R1.2 CCc1cccc(F)c1 Amb22235099 [0,1,0,1,0,0|2,0,0]=4 3204 B9R1.2 CCc1cccc(F)n1 Amb24319184 [0,1,0,1,0,0|2,0,0]=4 3205 B9R1.2 CCc1cccc(N)c1 Amb3939774 [0,1,0,1,0,0|2,0,0]=4 3206 B9R1.2 CCc1cccc(N)n1 Amb3428616 [0,1,0,1,0,0|2,0,0]=4 3207 B9R1.2 CCc1cccc(O)c1 Amb3938975 [0,1,0,1,0,0|1,0,0]=3 3208 B9R1.2 CCc1cccc(O)n1 Amb10599854 [0,1,0,1,0,0|1,0,0]=3 3209 B9R1.2 CCc1cccc(S)c1 Amb26627381 [0,1,0,1,0,0|1,1,0]=4 3210 B9R1.2 CCc1ccnc(O)c1 Amb10600168 [0,1,0,1,0,0|1,0,1]=4 3211 B9R1.2 CCc1ccnc(O)n1 Amb13884390 [0,1,0,1,0,0|1,0,1]=4 3212 B9R1.2 CCc1cncc(O)c1 Amb20617462 [0,1,0,1,0,0|1,0,1]=4 3213 B9R1.2 CCc1cncc(O)n1 Amb10600312 [0,1,0,1,0,0|1,0,1]=4 3214 B9R1.2 CCc1nccc(O)n1 Amb10599362 [0,1,0,1,0,0|1,0,1]=4 3215 B9R1.2 CNC1=NC(=O)NC=C1 Amb28934984 [0,1,0,1,0,0|2,0,0]=4 3216 B9R1.2 CNC1=NC=CC(=O)N1 Amb18278229 [0,1,0,1,0,0|2,0,0]=4 3217 B9R1.2 CNc1cccc(Br)c1 Amb19959447 [0,1,0,1,0,0|2,0,0]=4 3218 B9R1.2 CNc1cccc(Br)c1 Amb6712226 [0,1,0,1,0,0|2,0,0]=4 3219 B9R1.2 CNc1cccc(Br)c1 Amb8631460 [0,1,0,1,0,0|2,0,0]=4 3220 B9R1.2 CNc1cccc(Br)n1 Amb10766325 [0,1,0,1,0,0|2,0,0]=4 3221 B9R1.2 CNc1cccc(C)c1 Amb2099497 [0,1,0,1,0,0|2,0,0]=4 3222 B9R1.2 CNc1cccc(C)c1 Amb6374332 [0,1,0,1,0,0|2,0,0]=4 3223 B9R1.2 CNc1cccc(C)n1 Amb18944230 [0,1,0,1,0,0|2,0,0]=4 3224 B9R1.2 CNc1cccc(Cl)c1 Amb21961616 [0,1,0,1,0,0|2,0,0]=4 3225 B9R1.2 CNc1cccc(Cl)c1 Amb2686181 [0,1,0,1,0,0|2,0,0]=4 3226 B9R1.2 CNc1cccc(Cl)n1 Amb8438926 [0,1,0,1,0,0|2,0,0]=4 3227 B9R1.2 CNc1cccc(F)c1 Amb22274072 [0,1,0,1,0,0|2,0,0]=4 3228 B9R1.2 CNc1cccc(F)c1 Amb2688175 [0,1,0,1,0,0|2,0,0]=4 3229 B9R1.2 CNc1cccc(F)n1 Amb18944651 [0,1,0,1,0,0|2,0,0]=4 3230 B9R1.2 CNc1cccc(I)c1 Amb7760184 [0,1,0,1,0,0|2,0,0]=4 3231 B9R1.2 CNc1cccc(N)c1 Amb8825437 [0,1,0,1,0,0|2,0,0]=4 3232 B9R1.2 CNc1cccc(O)c1 Amb18281003 [0,1,0,1,0,0|1,0,0]=3 3233 B9R1.2 CNc1cccc(O)n1 Amb18642182 [0,1,0,1,0,0|1,0,0]=3 3234 B9R1.2 CNc1ccnc(O)n1 Amb21959234 [0,1,0,1,0,0|2,0,0]=4 3235 B9R1.2 CNc1cncc(O)n1 Amb27838462 [0,1,0,1,0,0|2,0,0]=4 3236 B9R1.2 COC1=CC(=O)C=CO1 Amb28245112 [0,1,0,1,0,0|2,0,0]=4 3237 B9R1.2 COC1=CC(=O)NC=C1 Amb19958213 [0,1,0,1,0,0|2,0,0]=4 3238 B9R1.2 COC1=CCC=C(C)C1 Amb24080593 [0,1,0,1,0,0|1,0,1]=4 3239 B9R1.2 COC1=CN=CC(=O)N1 Amb22498307 [0,1,0,1,0,0|2,0,0]=4 3240 B9R1.2 COC1=NC(=O)C=CN1 Amb19958053 [0,1,0,1,0,0|2,0,0]=4 3241 B9R1.2 COC1=NC(=O)NC=C1 Amb24077352 [0,1,0,1,0,0|2,0,0]=4 3242 B9R1.2 COc1cc(C)ccn1 Amb10070281 [0,1,0,1,0,0|2,0,0]=4 3243 B9R1.2 COc1cc(O)ccn1 Amb19958118 [0,1,0,1,0,0|2,0,0]=4 3244 B9R1.2 COc1cccc(Br)c1 Amb2684947 [0,1,0,1,0,0|2,0,0]=4 3245 B9R1.2 COc1cccc(Br)n1 Amb4009357 [0,1,0,1,0,0|2,0,0]=4 3246 B9R1.2 COc1cccc(C)c1 Amb6296622 [0,1,0,1,0,0|1,0,0]=3 3247 B9R1.2 COc1cccc(C)n1 Amb8386214 [0,1,0,1,0,0|1,0,0]=3 3248 B9R1.2 COc1cccc(Cl)c1 Amb10067914 [0,1,0,1,0,0|2,0,0]=4 3249 B9R1.2 COc1cccc(Cl)n1 Amb3939996 [0,1,0,1,0,0|2,0,0]=4 3250 B9R1.2 COc1cccc(F)c1 Amb2688015 [0,1,0,1,0,0|2,0,0]=4 3251 B9R1.2 COc1cccc(F)n1 Amb33529317 [0,1,0,1,0,0|2,0,0]=4 3252 B9R1.2 COc1cccc(I)c1 Amb4605820 [0,1,0,1,0,0|2,0,0]=4 3253 B9R1.2 COc1cccc(I)n1 Amb6565074 [0,1,0,1,0,0|2,0,0]=4 3254 B9R1.2 COc1cccc(N)c1 Amb18800323 [0,1,0,1,0,0|2,0,0]=4 3255 B9R1.2 COc1cccc(N)c1 Amb2725525 [0,1,0,1,0,0|2,0,0]=4 3256 B9R1.2 COc1cccc(N)n1 Amb18642177 [0,1,0,1,0,0|2,0,0]=4 3257 B9R1.2 COc1cccc(N)n1 Amb6307645 [0,1,0,1,0,0|2,0,0]=4 3258 B9R1.2 COc1cccc(O)c1 Amb3939549 [0,1,0,1,0,0|1,0,0]=3 3259 B9R1.2 COc1cccc(S)c1 Amb2689087 [0,1,0,1,0,0|1,1,0]=4 3260 B9R1.2 COc1cccc(S)n1 Amb26407889 [0,1,0,1,0,0|1,1,0]=4 3261 B9R1.2 COc1ccnc(C)c1 Amb2794412 [0,1,0,1,0,0|2,0,0]=4 3262 B9R1.2 COc1ccnc(C)n1 Amb20241588 [0,1,0,1,0,0|2,0,0]=4 3263 B9R1.2 COc1cncc(C)c1 Amb10602326 [0,1,0,1,0,0|2,0,0]=4 3264 B9R1.2 COc1cncc(O)c1 Amb6565122 [0,1,0,1,0,0|2,0,0]=4 3265 B9R1.2 CSC1=CC=CC(=O)N1 Amb26934248 [0,1,0,1,0,0|1,0,0]=3 3266 B9R1.2 CSC1=NC(=O)C=CN1 Amb22734915 [0,1,0,1,0,0|2,0,0]=4 3267 B9R1.2 CSC1=NC(=O)NC=C1 Amb22232091 [0,1,0,1,0,0|2,0,0]=4 3268 B9R1.2 CSC1=NC=CC(=O)N1 Amb18363785 [0,1,0,1,0,0|2,0,0]=4 3269 B9R1.2 CSC1=NC=CC(=O)N1 Amb32663902 [0,1,0,1,0,0|2,0,0]=4 3270 B9R1.2 CSc1cc(O)ccn1 Amb25982693 [0,1,0,1,0,0|2,0,0]=4 3271 B9R1.2 CSc1cccc(Br)c1 Amb2685501 [0,1,0,1,0,0|2,0,0]=4 3272 B9R1.2 CSc1cccc(Br)n1 Amb8383358 [0,1,0,1,0,0|2,0,0]=4 3273 B9R1.2 CSc1cccc(Cl)c1 Amb2686478 [0,1,0,1,0,0|2,0,0]=4 3274 B9R1.2 CSc1cccc(Cl)n1 Amb2405701 [0,1,0,1,0,0|2,0,0]=4 3275 B9R1.2 CSc1cccc(F)c1 Amb2688421 [0,1,0,1,0,0|2,0,0]=4 3276 B9R1.2 CSc1cccc(N)c1 Amb932834 [0,1,0,1,0,0|2,0,0]=4 3277 B9R1.2 CSc1cccc(N)n1 Amb33532679 [0,1,0,1,0,0|2,0,0]=4 3278 B9R1.2 CSc1cccc(O)c1 Amb8845207 [0,1,0,1,0,0|1,0,0]=3 3279 B9R1.2 CSc1cccc(S)c1 Amb19887953 [0,1,0,1,0,0|1,1,0]=4 3280 B9R1.2 CSc1ccnc(O)n1 Amb22490743 [0,1,0,1,0,0|2,0,0]=4 3281 B9R1.2 CSc1cncc(O)c1 Amb27205422 [0,1,0,1,0,0|2,0,0]=4 3282 B9R1.2 CSc1nccc(O)n1 Amb33544310 [0,1,0,1,0,0|2,0,0]=4 3283 B9R1.2 C[n+]1cccc(CO)c1 Amb10573217 [0,1,0,1,0,0|2,0,0]=4 3284 B9R1.2 Cc1cc(C=O)ccn1 Amb16231936 [0,1,0,1,0,0|2,0,0]=4 3285 B9R1.2 Cc1cc(C=O)ccn1 Amb9701813 [0,1,0,1,0,0|2,0,0]=4 3286 B9R1.2 Cc1cc(CO)ccn1 Amb10067646 [0,1,0,1,0,0|2,0,0]=4 3287 B9R1.2 Cc1cccc(C#N)c1 Amb6608930 [0,1,0,1,0,0|2,0,0]=4 3288 B9R1.2 Cc1cccc(C#N)n1 Amb2384036 [0,1,0,1,0,0|2,0,0]=4 3289 B9R1.2 Cc1cccc(C=O)c1 Amb2690615 [0,1,0,1,0,0|1,0,0]=3 3290 B9R1.2 Cc1cccc(C=O)n1 Amb2689678 [0,1,0,1,0,0|1,0,0]=3 3291 B9R1.2 Cc1cccc(CBr)c1 Amb2601054 [0,1,0,1,0,0|2,0,0]=4 3292 B9R1.2 Cc1cccc(CBr)n1 Amb21857068 [0,1,0,1,0,0|2,0,0]=4 3293 B9R1.2 Cc1cccc(CBr)n1 Amb9769234 [0,1,0,1,0,0|2,0,0]=4 3294 B9R1.2 Cc1cccc(CCl)c1 Amb2792915 [0,1,0,1,0,0|2,0,0]=4 3295 B9R1.2 Cc1cccc(CCl)n1 Amb16234122 [0,1,0,1,0,0|2,0,0]=4 3296 B9R1.2 Cc1cccc(CCl)n1 Amb2592508 [0,1,0,1,0,0|2,0,0]=4 3297 B9R1.2 Cc1cccc(CF)c1 Amb22232791 [0,1,0,1,0,0|2,0,0]=4 3298 B9R1.2 Cc1cccc(CF)n1 Amb27590322 [0,1,0,1,0,0|2,0,0]=4 3299 B9R1.2 Cc1cccc(CN)c1 Amb1116222 [0,1,0,1,0,0|2,0,0]=4 3300 B9R1.2 Cc1cccc(CN)n1 Amb20669074 [0,1,0,1,0,0|2,0,0]=4 3301 B9R1.2 Cc1cccc(CN)n1 Amb21857709 [0,1,0,1,0,0|2,0,0]=4 3302 B9R1.2 Cc1cccc(CN)n1 Amb2592509 [0,1,0,1,0,0|2,0,0]=4 3303 B9R1.2 Cc1cccc(CO)c1 Amb837250 [0,1,0,1,0,0|1,0,0]=3 3304 B9R1.2 Cc1cccc(CO)n1 Amb24063802 [0,1,0,1,0,0|1,0,0]=3 3305 B9R1.2 Cc1cccc(CO)n1 Amb2725366 [0,1,0,1,0,0|1,0,0]=3 3306 B9R1.2 Cc1cccc(CS)c1 Amb2726200 [0,1,0,1,0,0|1,1,0]=4 3307 B9R1.2 Cc1cccc(CS)n1 Amb25140122 [0,1,0,1,0,0|1,1,0]=4 3308 B9R1.2 Cc1cccc(N=O)c1 Amb25843313 [0,1,0,1,0,0|1,0,0]=3 3309 B9R1.2 Cc1cccc(NN)c1 Amb1209233 [0,1,0,1,0,0|2,0,0]=4 3310 B9R1.2 Cc1cccc(NN)c1 Amb3942541 [0,1,0,1,0,0|2,0,0]=4 3311 B9R1.2 Cc1cccc(NN)n1 Amb19888167 [0,1,0,1,0,0|2,0,0]=4 3312 B9R1.2 Cc1cccc(NN)n1 Amb19890162 [0,1,0,1,0,0|2,0,0]=4 3313 B9R1.2 Cc1cccc(NN)n1 Amb22587211 [0,1,0,1,0,0|2,0,0]=4 3314 B9R1.2 Cc1cccc(NN)n1 Amb5730483 [0,1,0,1,0,0|2,0,0]=4 3315 B9R1.2 Cc1cccc(N[NH3+])c1 Amb24113759 [0,1,0,1,0,0|2,0,0]=4 3316 B9R1.2 Cc1cccc([IH2]=O)c1 Amb25312202 [0,1,0,1,0,0|1,0,0]=3 3317 B9R1.2 Cc1cccc([Mg]Br)c1 Amb22000361 [0,1,0,1,0,0|2,0,0]=4 3318 B9R1.2 Cc1cccc([Zn]I)c1 Amb22000446 [0,1,0,1,0,0|2,0,0]=4 3319 B9R1.2 Cc1ccnc(C=O)c1 Amb6307702 [0,1,0,1,0,0|2,0,0]=4 3320 B9R1.2 Cc1ccnc(C=O)n1 Amb8010588 [0,1,0,1,0,0|2,0,0]=4 3321 B9R1.2 Cc1ccnc(CO)c1 Amb22495046 [0,1,0,1,0,0|2,0,0]=4 3322 B9R1.2 Cc1ccnc(CO)c1 Amb8386835 [0,1,0,1,0,0|2,0,0]=4 3323 B9R1.2 Cc1ccnc(CO)n1 Amb22276544 [0,1,0,1,0,0|2,0,0]=4 3324 B9R1.2 Cc1ccnc(NO)n1 Amb27485301 [0,1,0,1,0,0|2,0,0]=4 3325 B9R1.2 Cc1cncc(C=O)c1 Amb8396131 [0,1,0,1,0,0|2,0,0]=4 3326 B9R1.2 Cc1cncc(C=O)n1 Amb8010981 [0,1,0,1,0,0|2,0,0]=4 3327 B9R1.2 Cc1cncc(CO)c1 Amb16231977 [0,1,0,1,0,0|2,0,0]=4 3328 B9R1.2 Cc1nccc(C=O)n1 Amb8010777 [0,1,0,1,0,0|2,0,0]=4 3329 B9R1.2 Cc1nccc(CO)n1 Amb33540113 [0,1,0,1,0,0|2,0,0]=4 3330 B9R1.2 Cc1nccc(NO)n1 Amb27662154 [0,1,0,1,0,0|2,0,0]=4 3331 B9R1.2 ClCc1cccc(Br)c1 Amb3939726 [0,1,0,1,0,0|2,0,0]=4 3332 B9R1.2 ClCc1cccc(Br)n1 Amb20247745 [0,1,0,1,0,0|2,0,0]=4 3333 B9R1.2 ClCc1cccc(Br)n1 Amb23437266 [0,1,0,1,0,0|2,0,0]=4 3334 B9R1.2 ClCc1cccc(Cl)c1 Amb6364755 [0,1,0,1,0,0|2,0,0]=4 3335 B9R1.2 ClCc1cccc(Cl)n1 Amb8386843 [0,1,0,1,0,0|2,0,0]=4 3336 B9R1.2 ClCc1cccc(I)c1 Amb21964340 [0,1,0,1,0,0|2,0,0]=4 3337 B9R1.2 Clc1cccc(CBr)c1 Amb1651063 [0,1,0,1,0,0|2,0,0]=4 3338 B9R1.2 Clc1cccc(CBr)n1 Amb24101199 [0,1,0,1,0,0|2,0,0]=4 3339 B9R1.2 Clc1cccc(CBr)n1 Amb32661811 [0,1,0,1,0,0|2,0,0]=4 3340 B9R1.2 Clc1cccc(CI)c1 Amb23571284 [0,1,0,1,0,0|2,0,0]=4 3341 B9R1.2 Clc1cccc(CI)n1 Amb26943784 [0,1,0,1,0,0|2,0,0]=4 3342 B9R1.2 FCc1cccc(Br)c1 Amb27247407 [0,1,0,1,0,0|2,0,0]=4 3343 B9R1.2 FCc1cccc(Br)n1 Amb27603388 [0,1,0,1,0,0|2,0,0]=4 3344 B9R1.2 FCc1cccc(Cl)n1 Amb27795270 [0,1,0,1,0,0|2,0,0]=4 3345 B9R1.2 FCc1cccc(F)c1 Amb22232792 [0,1,0,1,0,0|2,0,0]=4 3346 B9R1.2 FCc1cccc(I)c1 Amb26923780 [0,1,0,1,0,0|2,0,0]=4 3347 B9R1.2 Fc1cccc(CBr)c1 Amb2688043 [0,1,0,1,0,0|2,0,0]=4 3348 B9R1.2 Fc1cccc(CBr)n1 Amb21964613 [0,1,0,1,0,0|2,0,0]=4 3349 B9R1.2 Fc1cccc(CBr)n1 Amb32662943 [0,1,0,1,0,0|2,0,0]=4 3350 B9R1.2 Fc1cccc(CCl)c1 Amb6364746 [0,1,0,1,0,0|2,0,0]=4 3351 B9R1.2 Fc1cccc(CCl)n1 Amb8386859 [0,1,0,1,0,0|2,0,0]=4 3352 B9R1.2 Fc1cccc(CI)c1 Amb23590695 [0,1,0,1,0,0|2,0,0]=4 3353 B9R1.2 Fc1cccc(CS)c1 Amb2691867 [0,1,0,1,0,0|2,0,0]=4 3354 B9R1.2 N#CC1=CC=CC(=O)N1 Amb33544081 [0,1,0,1,0,0|1,0,1]=4 3355 B9R1.2 N#Cc1cccc(O)c1 Amb1649098 [0,1,0,1,0,0|1,0,1]=4 3356 B9R1.2 N#Cc1cccc(O)n1 Amb22387273 [0,1,0,1,0,0|1,0,1]=4 3357 B9R1.2 N#[N+]c1cccc(O)c1 Amb27768731 [0,1,0,1,0,0|2,0,0]=4 3358 B9R1.2 NCC1=CC(=O)C=CN1 Amb33535896 [0,1,0,1,0,0|2,0,0]=4 3359 B9R1.2 NCC1=CC(=O)NC=C1 Amb21963528 [0,1,0,1,0,0|2,0,0]=4 3360 B9R1.2 NCC1=CC(=O)NC=C1 Amb21963542 [0,1,0,1,0,0|2,0,0]=4 3361 B9R1.2 NCC1=CC=CC(=O)N1 Amb22490648 [0,1,0,1,0,0|1,0,0]=3 3362 B9R1.2 NCC1=CC=CC(=O)N1 Amb33291340 [0,1,0,1,0,0|1,0,0]=3 3363 B9R1.2 NCC1=NC=CC(=O)N1 Amb32410220 [0,1,0,1,0,0|2,0,0]=4 3364 B9R1.2 NCC1=NC=CC(=O)N1 Amb32664306 [0,1,0,1,0,0|2,0,0]=4 3365 B9R1.2 NCc1cc(O)ccn1 Amb23399915 [0,1,0,1,0,0|2,0,0]=4 3366 B9R1.2 NCc1cc(O)ccn1 Amb8010311 [0,1,0,1,0,0|2,0,0]=4 3367 B9R1.2 NCc1cccc(Br)c1 Amb1114593 [0,1,0,1,0,0|2,0,0]=4 3368 B9R1.2 NCc1cccc(Br)c1 Amb4036811 [0,1,0,1,0,0|2,0,0]=4 3369 B9R1.2 NCc1cccc(Br)n1 Amb22899554 [0,1,0,1,0,0|2,0,0]=4 3370 B9R1.2 NCc1cccc(Br)n1 Amb33330973 [0,1,0,1,0,0|2,0,0]=4 3371 B9R1.2 NCc1cccc(Br)n1 Amb8386300 [0,1,0,1,0,0|2,0,0]=4 3372 B9R1.2 NCc1cccc(Cl)c1 Amb535711 [0,1,0,1,0,0|2,0,0]=4 3373 B9R1.2 NCc1cccc(Cl)n1 Amb20621543 [0,1,0,1,0,0|2,0,0]=4 3374 B9R1.2 NCc1cccc(Cl)n1 Amb21964888 [0,1,0,1,0,0|2,0,0]=4 3375 B9R1.2 NCc1cccc(Cl)n1 Amb23437268 [0,1,0,1,0,0|2,0,0]=4 3376 B9R1.2 NCc1cccc(F)c1 Amb1119747 [0,1,0,1,0,0|2,0,0]=4 3377 B9R1.2 NCc1cccc(F)c1 Amb30876891 [0,1,0,1,0,0|2,0,0]=4 3378 B9R1.2 NCc1cccc(F)n1 Amb13890637 [0,1,0,1,0,0|2,0,0]=4 3379 B9R1.2 NCc1cccc(F)n1 Amb16186029 [0,1,0,1,0,0|2,0,0]=4 3380 B9R1.2 NCc1cccc(F)n1 Amb22491793 [0,1,0,1,0,0|2,0,0]=4 3381 B9R1.2 NCc1cccc(I)c1 Amb3940187 [0,1,0,1,0,0|2,0,0]=4 3382 B9R1.2 NCc1cccc(I)c1 Amb4036800 [0,1,0,1,0,0|2,0,0]=4 3383 B9R1.2 NCc1cccc(I)n1 Amb26489136 [0,1,0,1,0,0|2,0,0]=4 3384 B9R1.2 NCc1cccc(N)c1 Amb4079367 [0,1,0,1,0,0|2,0,0]=4 3385 B9R1.2 NCc1cccc(N)c1 Amb6297110 [0,1,0,1,0,0|2,0,0]=4 3386 B9R1.2 NCc1cccc(N)n1 Amb13951384 [0,1,0,1,0,0|2,0,0]=4 3387 B9R1.2 NCc1cccc(N)n1 Amb29083362 [0,1,0,1,0,0|2,0,0]=4 3388 B9R1.2 NCc1cccc(O)c1 Amb10609577 [0,1,0,1,0,0|1,0,0]=3 3389 B9R1.2 NCc1cccc(O)c1 Amb1133156 [0,1,0,1,0,0|1,0,0]=3 3390 B9R1.2 NCc1cccc(O)n1 Amb22059467 [0,1,0,1,0,0|1,0,0]=3 3391 B9R1.2 NCc1cccn(=O)c1 Amb17771581 [0,1,0,1,0,0|2,0,0]=4 3392 B9R1.2 NCc1ccnc(O)c1 Amb13952113 [0,1,0,1,0,0|2,0,0]=4 3393 B9R1.2 NCc1ccnc(O)n1 Amb18832833 [0,1,0,1,0,0|2,0,0]=4 3394 B9R1.2 NCc1cncc(O)c1 Amb22899436 [0,1,0,1,0,0|2,0,0]=4 3395 B9R1.2 NCc1nccc(O)n1 Amb18222083 [0,1,0,1,0,0|2,0,0]=4 3396 B9R1.2 NNc1cccc(O)c1 Amb25327903 [0,1,0,1,0,0|2,0,0]=4 3397 B9R1.2 NNc1cccc(O)c1 Amb32661662 [0,1,0,1,0,0|2,0,0]=4 3398 B9R1.2 NNc1cccc(O)c1 Amb32667594 [0,1,0,1,0,0|2,0,0]=4 3399 B9R1.2 NOc1cccc(Br)c1 Amb22900915 [0,1,0,1,0,0|2,0,0]=4 3400 B9R1.2 NOc1cccc(Cl)c1 Amb18644044 [0,1,0,1,0,0|2,0,0]=4 3401 B9R1.2 NOc1cccc(F)c1 Amb26633845 [0,1,0,1,0,0|2,0,0]=4 3402 B9R1.2 Nc1cccc(C=O)c1 Amb2697309 [0,1,0,1,0,0|2,0,0]=4 3403 B9R1.2 Nc1cccc(C=O)c1 Amb2697312 [0,1,0,1,0,0|2,0,0]=4 3404 B9R1.2 Nc1cccc(C=O)n1 Amb16231443 [0,1,0,1,0,0|2,0,0]=4 3405 B9R1.2 Nc1cccc(CBr)c1 Amb22728096 [0,1,0,1,0,0|2,0,0]=4 3406 B9R1.2 Nc1cccc(CBr)n1 Amb33329373 [0,1,0,1,0,0|2,0,0]=4 3407 B9R1.2 Nc1cccc(CCl)c1 Amb17477837 [0,1,0,1,0,0|2,0,0]=4 3408 B9R1.2 Nc1cccc(CCl)c1 Amb32661034 [0,1,0,1,0,0|2,0,0]=4 3409 B9R1.2 Nc1cccc(CF)c1 Amb23556448 [0,1,0,1,0,0|2,0,0]=4 3410 B9R1.2 Nc1cccc(CO)c1 Amb2099649 [0,1,0,1,0,0|2,0,0]=4 3411 B9R1.2 Nc1cccc(CO)n1 Amb21857102 [0,1,0,1,0,0|2,0,0]=4 3412 B9R1.2 Nc1cccc(CS)n1 Amb27862989 [0,1,0,1,0,0|2,0,0]=4 3413 B9R1.2 O=C1C=C(CCl)C=CN1 Amb25959595 [0,1,0,1,0,0|2,0,0]=4 3414 B9R1.2 O=C1C=C(CO)C=CN1 Amb21960732 [0,1,0,1,0,0|2,0,0]=4 3415 B9R1.2 O=C1C=CC=C(CBr)N1 Amb25957289 [0,1,0,1,0,0|1,0,0]=3 3416 B9R1.2 O=C1C=CCC(CCl)O1 Amb24432531 [0,1,0,1,0,0|0,0,2]=4 3417 B9R1.2 O=C1C=CCC(CO)O1 Amb28049087 [0,1,0,1,0,0|0,0,2]=4 3418 B9R1.2 O=C1C=CC[C@@H](CCl)O1 Amb22226720 [0,1,0,1,0,0|0,0,2]=4 3419 B9R1.2 O=C1C=CNC(CBr)=C1 Amb24369351 [0,1,0,1,0,0|2,0,0]=4 3420 B9R1.2 O=CC1=CC=CC(=O)N1 Amb19882313 [0,1,0,1,0,0|1,0,1]=4 3421 B9R1.2 O=CC1=CC=CC(=O)O1 Amb27481476 [0,1,0,1,0,0|0,0,1]=3 3422 B9R1.2 O=CC1=NC(=O)NC=C1 Amb22499756 [0,1,0,1,0,0|2,0,0]=4 3423 B9R1.2 O=CC1CC=CC(=O)O1 Amb18642367 [0,1,0,1,0,0|1,0,1]=4 3424 B9R1.2 O=Cc1cc(O)ccn1 Amb30982669 [0,1,0,1,0,0|2,0,0]=4 3425 B9R1.2 O=Cc1cccc(Br)c1 Amb1232086 [0,1,0,1,0,0|2,0,0]=4 3426 B9R1.2 O=Cc1cccc(Br)n1 Amb535786 [0,1,0,1,0,0|2,0,0]=4 3427 B9R1.2 O=Cc1cccc(Cl)c1 Amb2725499 [0,1,0,1,0,0|2,0,0]=4 3428 B9R1.2 O=Cc1cccc(Cl)n1 Amb8383544 [0,1,0,1,0,0|2,0,0]=4 3429 B9R1.2 O=Cc1cccc(F)c1 Amb535197 [0,1,0,1,0,0|2,0,0]=4 3430 B9R1.2 O=Cc1cccc(F)n1 Amb8386828 [0,1,0,1,0,0|2,0,0]=4 3431 B9R1.2 O=Cc1cccc(I)c1 Amb1033003 [0,1,0,1,0,0|2,0,0]=4 3432 B9R1.2 O=Cc1cccc(O)c1 Amb1880871 [0,1,0,1,0,0|1,0,1]=4 3433 B9R1.2 O=Cc1cccc(O)n1 Amb20247934 [0,1,0,1,0,0|1,0,1]=4 3434 B9R1.2 O=Cc1cccc(S)c1 Amb13952077 [0,1,0,1,0,0|2,0,0]=4 3435 B9R1.2 O=Cc1ccnc(O)c1 Amb2695333 [0,1,0,1,0,0|2,0,0]=4 3436 B9R1.2 O=Cc1cncc(O)c1 Amb19895145 [0,1,0,1,0,0|2,0,0]=4 3437 B9R1.2 O=Cc1cncc(O)n1 Amb28077078 [0,1,0,1,0,0|2,0,0]=4 3438 B9R1.2 O=Nc1cccc(Br)c1 Amb28061595 [0,1,0,1,0,0|2,0,0]=4 3439 B9R1.2 O=Nc1cccc(Cl)c1 Amb28429156 [0,1,0,1,0,0|2,0,0]=4 3440 B9R1.2 OCc1cc(O)ccn1 Amb22292446 [0,1,0,1,0,0|2,0,0]=4 3441 B9R1.2 OCc1cccc(Br)c1 Amb3939091 [0,1,0,1,0,0|2,0,0]=4 3442 B9R1.2 OCc1cccc(Br)n1 Amb8386704 [0,1,0,1,0,0|2,0,0]=4 3443 B9R1.2 OCc1cccc(Cl)c1 Amb1232082 [0,1,0,1,0,0|2,0,0]=4 3444 B9R1.2 OCc1cccc(Cl)n1 Amb6308086 [0,1,0,1,0,0|2,0,0]=4 3445 B9R1.2 OCc1cccc(Cl)n1 Amb8386844 [0,1,0,1,0,0|2,0,0]=4 3446 B9R1.2 OCc1cccc(F)c1 Amb837438 [0,1,0,1,0,0|2,0,0]=4 3447 B9R1.2 OCc1cccc(F)n1 Amb8386821 [0,1,0,1,0,0|2,0,0]=4 3448 B9R1.2 OCc1cccc(I)c1 Amb4605978 [0,1,0,1,0,0|2,0,0]=4 3449 B9R1.2 OCc1cccc(O)c1 Amb2688734 [0,1,0,1,0,0|1,0,0]=3 3450 B9R1.2 OCc1cccc(O)n1 Amb9902171 [0,1,0,1,0,0|1,0,0]=3 3451 B9R1.2 OCc1cccc(S)c1 Amb16231056 [0,1,0,1,0,0|1,1,0]=4 3452 B9R1.2 OCc1ccnc(O)c1 Amb10600384 [0,1,0,1,0,0|2,0,0]=4 3453 B9R1.2 OCc1cncc(O)c1 Amb23401211 [0,1,0,1,0,0|2,0,0]=4 3454 B9R1.2 OCc1nccc(O)n1 Amb22737475 [0,1,0,1,0,0|2,0,0]=4 3455 B9R1.2 OCc1nccc(O)n1 Amb35750765 [0,1,0,1,0,0|2,0,0]=4 3456 B9R1.2 ONc1cccc(O)c1 Amb28144169 [0,1,0,1,0,0|2,0,0]=4 3457 B9R1.2 Oc1cc(CF)ccn1 Amb28053195 [0,1,0,1,0,0|2,0,0]=4 3458 B9R1.2 Oc1cccc(CBr)c1 Amb5719379 [0,1,0,1,0,0|1,0,0]=3 3459 B9R1.2 Oc1cccc(CCl)c1 Amb8391842 [0,1,0,1,0,0|1,0,0]=3 3460 B9R1.2 Oc1cccc(CF)n1 Amb25195006 [0,1,0,1,0,0|1,0,0]=3 3461 B9R1.2 Oc1cccc(CS)c1 Amb18643580 [0,1,0,1,0,0|1,0,0]=3 3462 B9R1.2 Oc1ccnc(CI)n1 Amb28317908 [0,1,0,1,0,0|2,0,0]=4 3463 B9R1.2 Oc1ccnc(CS)n1 Amb24553855 [0,1,0,1,0,0|2,0,0]=4 3464 B9R1.2 Oc1cncc(CBr)c1 Amb28383974 [0,1,0,1,0,0|2,0,0]=4 3465 B9R1.2 SCc1cccc(Br)c1 Amb2691874 [0,1,0,1,0,0|2,0,0]=4 3466 B9R1.2 SCc1cccc(Br)n1 Amb25212807 [0,1,0,1,0,0|2,0,0]=4 3467 B9R1.2 SCc1cccc(Cl)c1 Amb6255953 [0,1,0,1,0,0|2,0,0]=4 3468 B9R1.2 SCc1cccc(Cl)n1 Amb24726180 [0,1,0,1,0,0|2,0,0]=4 3469 B9R1.2 SCc1cccc(I)c1 Amb26546229 [0,1,0,1,0,0|2,0,0]=4 3470 B9R1.2 Sc1cccc(CCl)c1 Amb25793601 [0,1,0,1,0,0|1,1,0]=4 3471 B9R1.2 [C-]#[N+]c1cccc(C)c1 Amb24640797 [0,1,0,1,0,0|2,0,0]=4 3472 B9R1.2 [C-]#[N+]c1cccc(C)n1 Amb28326230 [0,1,0,1,0,0|2,0,0]=4 3473 B9R1.2 [NH3+]Cc1cccc(Br)c1 Amb24113872 [0,1,0,1,0,0|2,0,0]=4 3474 B9R1.2 [NH3+]Cc1cccc(Cl)c1 Amb22641594 [0,1,0,1,0,0|2,0,0]=4 3475 B9R1.2 [NH3+]Cc1cccc(O)c1 Amb22547663 [0,1,0,1,0,0|1,0,0]=3 3476 B9R1.2 [Zn+]Cc1cccc(I)c1 Amb22337135 [0,1,0,1,0,0|2,0,0]=4 3477 B9R1.3 CC1=C(Br)C(=O)C=CN1 Amb24654420 [0,1,0,1,0,0|2,0,0]=4 3478 B9R1.3 CC1=C(Br)C(=O)NC=C1 Amb20242526 [0,1,0,1,0,0|2,0,0]=4 3479 B9R1.3 CC1=C(C)C(=O)C=CO1 Amb28396477 [0,1,0,1,0,0|2,0,0]=4 3480 B9R1.3 CC1=C(Cl)C(=O)NC=C1 Amb23448400 [0,1,0,1,0,0|2,0,0]=4 3481 B9R1.3 CC1=C(F)C(=O)NC=C1 Amb24477858 [0,1,0,1,0,0|2,0,0]=4 3482 B9R1.3 CC1=C(O)C(=O)C=CN1 Amb21856401 [0,1,0,1,0,0|1,0,0]=3 3483 B9R1.3 CC1=C(O)C(=O)C=CN1 Amb28960293 [0,1,0,1,0,0|1,0,0]=3 3484 B9R1.3 CC1=C(O)C(=O)C=CO1 Amb18511880 [0,1,0,1,0,0|1,0,0]=3 3485 B9R1.3 CC1=C(O)C(=O)NC=C1 Amb24574176 [0,1,0,1,0,0|1,0,0]=3 3486 B9R1.3 CC1=CC=CC(=O)N1C Amb18402842 [0,1,0,1,0,0|1,0,0]=3 3487 B9R1.3 CC1=CC=CN(C)C1=O Amb19128074 [0,1,0,1,0,0|2,0,0]=4 3488 B9R1.3 CC1=CNC=C(Br)C1=O Amb27230010 [0,1,0,1,0,0|2,0,0]=4 3489 B9R1.3 CC1=CNC=C(O)C1=O Amb25247017 [0,1,0,1,0,0|1,0,0]=3 3490 B9R1.3 CC1=COC=C(C)C1=O Amb22364515 [0,1,0,1,0,0|2,0,0]=4 3491 B9R1.3 CC1=COC=C(O)C1=O Amb28253673 [0,1,0,1,0,0|1,0,0]=3 3492 B9R1.3 CC1=NC=CC(=O)C1O Amb22015135 [0,1,0,1,0,0|1,0,0]=3 3493 B9R1.3 CC1=NC=CN(O)C1=O Amb27803883 [0,1,0,1,0,0|2,0,0]=4 3494 B9R1.3 CN1C(=O)C=CC=C1Br Amb33542837 [0,1,0,1,0,0|2,0,0]=4 3495 B9R1.3 CN1C(=O)C=CC=C1Cl Amb22234339 [0,1,0,1,0,0|2,0,0]=4 3496 B9R1.3 CN1C(=O)C=CC=C1N Amb25368378 [0,1,0,1,0,0|2,0,0]=4 3497 B9R1.3 CN1C(=O)C=CC=C1N Amb33483818 [0,1,0,1,0,0|2,0,0]=4 3498 B9R1.3 CN1C=CC=C(Br)C1=O Amb22751623 [0,1,0,1,0,0|2,0,0]=4 3499 B9R1.3 CN1C=CC=C(Cl)C1=O Amb23448395 [0,1,0,1,0,0|2,0,0]=4 3500 B9R1.3 CN1C=CC=C(I)C1=O Amb24381284 [0,1,0,1,0,0|2,0,0]=4 3501 B9R1.3 CN1C=CC=C(N)C1=O Amb18943835 [0,1,0,1,0,0|2,0,0]=4 3502 B9R1.3 CN1C=CC=C(N)C1=O Amb22899627 [0,1,0,1,0,0|2,0,0]=4 3503 B9R1.3 CN1C=CC=C(O)C1=O Amb20239347 [0,1,0,1,0,0|1,0,0]=3 3504 B9R1.3 CN1C=CN=C(O)C1=O Amb22059077 [0,1,0,1,0,0|2,0,0]=4 3505 B9R1.3 Cc1c(N)cccc1O Amb3941508 [0,1,0,1,0,0|2,0,0]=4 3506 B9R1.3 Cc1c(O)cccc1Br Amb18129645 [0,1,0,1,0,0|2,0,0]=4 3507 B9R1.3 Cc1c(O)cccc1Cl Amb2686222 [0,1,0,1,0,0|2,0,0]=4 3508 B9R1.3 Cc1c(O)cccc1F Amb8393656 [0,1,0,1,0,0|2,0,0]=4 3509 B9R1.3 Cc1c(O)cccc1I Amb25063898 [0,1,0,1,0,0|2,0,0]=4 3510 B9R1.3 Cc1c(O)cccc1O Amb6297190 [0,1,0,1,0,0|2,0,0]=4 3511 B9R1.3 Cc1c(O)cccc1S Amb24378209 [0,1,0,1,0,0|2,0,0]=4 3512 B9R1.3 Cc1cccc(Br)c1Br Amb19888185 [0,1,0,1,0,0|2,0,0]=4 3513 B9R1.3 Cc1cccc(Br)c1C Amb2685561 [0,1,0,1,0,0|2,0,0]=4 3514 B9R1.3 Cc1cccc(Br)c1Cl Amb2691984 [0,1,0,1,0,0|2,0,0]=4 3515 B9R1.3 Cc1cccc(Br)c1F Amb10976047 [0,1,0,1,0,0|2,0,0]=4 3516 B9R1.3 Cc1cccc(Br)c1I Amb19888186 [0,1,0,1,0,0|2,0,0]=4 3517 B9R1.3 Cc1cccc(Br)c1N Amb2684155 [0,1,0,1,0,0|2,0,0]=4 3518 B9R1.3 Cc1cccc(Br)c1O Amb18129656 [0,1,0,1,0,0|1,0,0]=3 3519 B9R1.3 Cc1cccc(Br)c1S Amb19893336 [0,1,0,1,0,0|1,1,0]=4 3520 B9R1.3 Cc1cccc(C)[n+]1[O-] Amb8386509 [0,1,0,1,0,0|1,0,1]=4 3521 B9R1.3 Cc1cccc(C)c1Br Amb3939037 [0,1,0,1,0,0|2,0,0]=4 3522 B9R1.3 Cc1cccc(C)c1C Amb9787524 [0,1,0,1,0,0|2,0,0]=4 3523 B9R1.3 Cc1cccc(C)c1Cl Amb6608839 [0,1,0,1,0,0|2,0,0]=4 3524 B9R1.3 Cc1cccc(C)c1F Amb2688559 [0,1,0,1,0,0|2,0,0]=4 3525 B9R1.3 Cc1cccc(C)c1I Amb2688902 [0,1,0,1,0,0|2,0,0]=4 3526 B9R1.3 Cc1cccc(C)c1N Amb18183184 [0,1,0,1,0,0|2,0,0]=4 3527 B9R1.3 Cc1cccc(C)c1N Amb2721025 [0,1,0,1,0,0|2,0,0]=4 3528 B9R1.3 Cc1cccc(C)c1O Amb2609019 [0,1,0,1,0,0|1,0,0]=3 3529 B9R1.3 Cc1cccc(C)c1S Amb2687633 [0,1,0,1,0,0|1,1,0]=4 3530 B9R1.3 Cc1cccc(Cl)c1Br Amb2685048 [0,1,0,1,0,0|2,0,0]=4 3531 B9R1.3 Cc1cccc(Cl)c1C Amb6296146 [0,1,0,1,0,0|2,0,0]=4 3532 B9R1.3 Cc1cccc(Cl)c1Cl Amb6365784 [0,1,0,1,0,0|2,0,0]=4 3533 B9R1.3 Cc1cccc(Cl)c1F Amb8386045 [0,1,0,1,0,0|2,0,0]=4 3534 B9R1.3 Cc1cccc(Cl)c1I Amb6297282 [0,1,0,1,0,0|2,0,0]=4 3535 B9R1.3 Cc1cccc(Cl)c1N Amb2686183 [0,1,0,1,0,0|2,0,0]=4 3536 B9R1.3 Cc1cccc(Cl)c1O Amb2725440 [0,1,0,1,0,0|1,0,0]=3 3537 B9R1.3 Cc1cccc(Cl)c1S Amb4014266 [0,1,0,1,0,0|1,1,0]=4 3538 B9R1.3 Cc1cccc(Cl)n1=O Amb20247465 [0,1,0,1,0,0|1,0,0]=3 3539 B9R1.3 Cc1cccc(F)c1Br Amb8383891 [0,1,0,1,0,0|2,0,0]=4 3540 B9R1.3 Cc1cccc(F)c1C Amb2688557 [0,1,0,1,0,0|2,0,0]=4 3541 B9R1.3 Cc1cccc(F)c1Cl Amb8387983 [0,1,0,1,0,0|2,0,0]=4 3542 B9R1.3 Cc1cccc(F)c1F Amb2687282 [0,1,0,1,0,0|2,0,0]=4 3543 B9R1.3 Cc1cccc(F)c1I Amb15690924 [0,1,0,1,0,0|2,0,0]=4 3544 B9R1.3 Cc1cccc(F)c1N Amb8387985 [0,1,0,1,0,0|2,0,0]=4 3545 B9R1.3 Cc1cccc(F)c1O Amb2447539 [0,1,0,1,0,0|1,0,0]=3 3546 B9R1.3 Cc1cccc(F)c1S Amb19888007 [0,1,0,1,0,0|1,1,0]=4 3547 B9R1.3 Cc1cccc(I)c1Br Amb19888093 [0,1,0,1,0,0|2,0,0]=4 3548 B9R1.3 Cc1cccc(I)c1C Amb2688900 [0,1,0,1,0,0|2,0,0]=4 3549 B9R1.3 Cc1cccc(I)c1Cl Amb21856924 [0,1,0,1,0,0|2,0,0]=4 3550 B9R1.3 Cc1cccc(I)c1F Amb8629415 [0,1,0,1,0,0|2,0,0]=4 3551 B9R1.3 Cc1cccc(I)c1I Amb27796320 [0,1,0,1,0,0|2,0,0]=4 3552 B9R1.3 Cc1cccc(I)c1N Amb22228854 [0,1,0,1,0,0|2,0,0]=4 3553 B9R1.3 Cc1cccc(I)c1O Amb27188957 [0,1,0,1,0,0|1,0,0]=3 3554 B9R1.3 Cc1cccc(I)c1S Amb27838653 [0,1,0,1,0,0|1,1,0]=4 3555 B9R1.3 Cc1cccc(N)[n+]1[O-] Amb2610672 [0,1,0,1,0,0|1,0,1]=4 3556 B9R1.3 Cc1cccc(N)c1Br Amb8439219 [0,1,0,1,0,0|2,0,0]=4 3557 B9R1.3 Cc1cccc(N)c1C Amb1239130 [0,1,0,1,0,0|2,0,0]=4 3558 B9R1.3 Cc1cccc(N)c1C Amb22228304 [0,1,0,1,0,0|2,0,0]=4 3559 B9R1.3 Cc1cccc(N)c1Cl Amb18643724 [0,1,0,1,0,0|2,0,0]=4 3560 B9R1.3 Cc1cccc(N)c1F Amb6297677 [0,1,0,1,0,0|2,0,0]=4 3561 B9R1.3 Cc1cccc(N)c1I Amb7970240 [0,1,0,1,0,0|2,0,0]=4 3562 B9R1.3 Cc1cccc(N)c1N Amb2696321 [0,1,0,1,0,0|2,0,0]=4 3563 B9R1.3 Cc1cccc(N)c1O Amb1931716 [0,1,0,1,0,0|1,0,0]=3 3564 B9R1.3 Cc1cccc(N)c1O Amb22587115 [0,1,0,1,0,0|1,0,0]=3 3565 B9R1.3 Cc1cccc(N)c1S Amb26549985 [0,1,0,1,0,0|1,1,0]=4 3566 B9R1.3 Cc1cccc(O)c1Br Amb16230934 [0,1,0,1,0,0|1,0,0]=3 3567 B9R1.3 Cc1cccc(O)c1C Amb2711008 [0,1,0,1,0,0|1,0,0]=3 3568 B9R1.3 Cc1cccc(O)c1Cl Amb18643978 [0,1,0,1,0,0|1,0,0]=3 3569 B9R1.3 Cc1cccc(O)c1F Amb10603594 [0,1,0,1,0,0|1,0,0]=3 3570 B9R1.3 Cc1cccc(O)c1I Amb26334781 [0,1,0,1,0,0|1,0,0]=3 3571 B9R1.3 Cc1cccc(O)c1N Amb4037081 [0,1,0,1,0,0|1,0,0]=3 3572 B9R1.3 Cc1cccc(O)c1O Amb1211946 [0,1,0,1,0,0|0,0,1]=3 3573 B9R1.3 Cc1cccc(O)c1S Amb26616924 [0,1,0,1,0,0|0,1,0]=3 3574 B9R1.3 Cc1cccc(S)c1Br Amb19890213 [0,1,0,1,0,0|1,1,0]=4 3575 B9R1.3 Cc1cccc(S)c1C Amb17672774 [0,1,0,1,0,0|1,1,0]=4 3576 B9R1.3 Cc1cccc(S)c1Cl Amb27410841 [0,1,0,1,0,0|1,1,0]=4 3577 B9R1.3 Cc1cccc(S)c1F Amb22735370 [0,1,0,1,0,0|1,1,0]=4 3578 B9R1.3 Cc1cccc(S)c1I Amb28318038 [0,1,0,1,0,0|1,1,0]=4 3579 B9R1.3 Cc1cccc(S)c1N Amb18124553 [0,1,0,1,0,0|1,1,0]=4 3580 B9R1.3 Cc1cccc(S)c1O Amb28285870 [0,1,0,1,0,0|0,1,0]=3 3581 B9R1.3 Cc1ccnc(Br)c1O Amb22494199 [0,1,0,1,0,0|2,0,0]=4 3582 B9R1.3 Cc1ccnc(C)c1O Amb10072026 [0,1,0,1,0,0|2,0,0]=4 3583 B9R1.3 Cc1ccnc(Cl)c1O Amb19959010 [0,1,0,1,0,0|2,0,0]=4 3584 B9R1.3 Cc1ccnc(F)c1O Amb28145892 [0,1,0,1,0,0|2,0,0]=4 3585 B9R1.3 Cc1ccnc(I)c1O Amb27230438 [0,1,0,1,0,0|2,0,0]=4 3586 B9R1.3 Cc1ccnc(O)c1Br Amb15691034 [0,1,0,1,0,0|2,0,0]=4 3587 B9R1.3 Cc1ccnc(O)c1C Amb22494729 [0,1,0,1,0,0|2,0,0]=4 3588 B9R1.3 Cc1ccnc(O)c1N Amb20242716 [0,1,0,1,0,0|2,0,0]=4 3589 B9R1.3 Cc1cncc(I)c1O Amb25222798 [0,1,0,1,0,0|2,0,0]=4 3590 B9R1.3 Cc1cncc(N)c1O Amb26397482 [0,1,0,1,0,0|2,0,0]=4 3591 B9R1.3 Cc1cncc(O)c1Br Amb27842444 [0,1,0,1,0,0|2,0,0]=4 3592 B9R1.3 Cc1cncc(O)c1C Amb28140645 [0,1,0,1,0,0|2,0,0]=4 3593 B9R1.3 Cc1cncc(O)c1Cl Amb25147015 [0,1,0,1,0,0|2,0,0]=4 3594 B9R1.3 Cc1cncc(O)c1F Amb27494248 [0,1,0,1,0,0|2,0,0]=4 3595 B9R1.3 Cc1cncc(O)c1I Amb25364600 [0,1,0,1,0,0|2,0,0]=4 3596 B9R1.3 Cc1cncc(O)c1N Amb27482049 [0,1,0,1,0,0|2,0,0]=4 3597 B9R1.3 Cc1nccc(F)c1O Amb25147102 [0,1,0,1,0,0|2,0,0]=4 3598 B9R1.3 Cc1nccc(I)c1O Amb27424716 [0,1,0,1,0,0|2,0,0]=4 3599 B9R1.3 Cc1nccc(N)c1O Amb27223013 [0,1,0,1,0,0|2,0,0]=4 3600 B9R1.3 Cc1nccc(O)c1C Amb24320651 [0,1,0,1,0,0|2,0,0]=4 3601 B9R1.3 Cc1nccc(O)c1Cl Amb26600948 [0,1,0,1,0,0|2,0,0]=4 3602 B9R1.3 Cc1nccc(O)c1F Amb25349324 [0,1,0,1,0,0|2,0,0]=4 3603 B9R1.3 Cc1nccc(O)c1I Amb27482856 [0,1,0,1,0,0|2,0,0]=4 3604 B9R1.3 Cc1nccc(O)c1N Amb24433398 [0,1,0,1,0,0|2,0,0]=4 3605 B9R1.3 Cc1nccc(O)c1O Amb3777469 [0,1,0,1,0,0|1,0,1]=4 3606 B9R1.3 Cc1occc(=S)c1O Amb2612067 [0,1,0,1,0,0|1,1,0]=4 3607 B9R1.3 NC1=C(O)C(=O)C=CN1 Amb25286975 [0,1,0,1,0,0|2,0,0]=4 3608 B9R1.3 NC1=CC=CC(=O)C1=O Amb28456638 [0,1,0,1,0,0|1,0,1]=4 3609 B9R1.3 Nc1c(O)cccc1Br Amb10072023 [0,1,0,1,0,0|2,0,0]=4 3610 B9R1.3 Nc1c(O)cccc1Br Amb22755818 [0,1,0,1,0,0|2,0,0]=4 3611 B9R1.3 Nc1c(O)cccc1Cl Amb19892311 [0,1,0,1,0,0|2,0,0]=4 3612 B9R1.3 Nc1c(O)cccc1Cl Amb33527537 [0,1,0,1,0,0|2,0,0]=4 3613 B9R1.3 Nc1c(O)cccc1F Amb10839603 [0,1,0,1,0,0|2,0,0]=4 3614 B9R1.3 Nc1c(O)cccc1F Amb28934942 [0,1,0,1,0,0|2,0,0]=4 3615 B9R1.3 Nc1c(O)cccc1I Amb6298685 [0,1,0,1,0,0|2,0,0]=4 3616 B9R1.3 Nc1c(O)cccc1O Amb16233724 [0,1,0,1,0,0|2,0,0]=4 3617 B9R1.3 Nc1c(O)cccc1O Amb20240589 [0,1,0,1,0,0|2,0,0]=4 3618 B9R1.3 Nc1c(O)cccc1S Amb25120961 [0,1,0,1,0,0|2,0,0]=4 3619 B9R1.3 Nc1cccc(Br)c1O Amb8395986 [0,1,0,1,0,0|2,0,0]=4 3620 B9R1.3 Nc1cccc(Cl)c1O Amb33545782 [0,1,0,1,0,0|2,0,0]=4 3621 B9R1.3 Nc1cccc(Cl)c1O Amb9785189 [0,1,0,1,0,0|2,0,0]=4 3622 B9R1.3 Nc1cccc(F)c1O Amb16233728 [0,1,0,1,0,0|2,0,0]=4 3623 B9R1.3 Nc1cccc(I)c1O Amb22735989 [0,1,0,1,0,0|2,0,0]=4 3624 B9R1.3 Nc1cccc(N)c1O Amb22228359 [0,1,0,1,0,0|2,0,0]=4 3625 B9R1.3 Nc1cccc(N)c1O Amb24183288 [0,1,0,1,0,0|2,0,0]=4 3626 B9R1.3 Nc1cccc(O)c1Br Amb22490642 [0,1,0,1,0,0|2,0,0]=4 3627 B9R1.3 Nc1cccc(O)c1Cl Amb10766392 [0,1,0,1,0,0|2,0,0]=4 3628 B9R1.3 Nc1cccc(O)c1F Amb22008524 [0,1,0,1,0,0|2,0,0]=4 3629 B9R1.3 Nc1cccc(O)c1I Amb25376998 [0,1,0,1,0,0|2,0,0]=4 3630 B9R1.3 Nc1cccc(O)c1N Amb16233719 [0,1,0,1,0,0|2,0,0]=4 3631 B9R1.3 Nc1cccc(O)c1N Amb22001758 [0,1,0,1,0,0|2,0,0]=4 3632 B9R1.3 Nc1cccc(O)c1O Amb15695060 [0,1,0,1,0,0|1,0,1]=4 3633 B9R1.3 O=C1C(O)=CNC=C1Br Amb24637270 [0,1,0,1,0,0|2,0,0]=4 3634 B9R1.3 O=C1C(O)=CNC=C1F Amb24183390 [0,1,0,1,0,0|2,0,0]=4 3635 B9R1.3 O=C1C(O)=COC=C1Br Amb18190846 [0,1,0,1,0,0|2,0,0]=4 3636 B9R1.3 O=C1NC=CC(Cl)=C1O Amb24470681 [0,1,0,1,0,0|2,0,0]=4 3637 B9R1.3 Oc1c(Br)cccc1Br Amb2611907 [0,1,0,1,0,0|2,0,0]=4 3638 B9R1.3 Oc1c(Cl)cccc1Br Amb18131000 [0,1,0,1,0,0|2,0,0]=4 3639 B9R1.3 Oc1c(Cl)cccc1Cl Amb2725615 [0,1,0,1,0,0|2,0,0]=4 3640 B9R1.3 Oc1c(Cl)cccc1I Amb21963997 [0,1,0,1,0,0|2,0,0]=4 3641 B9R1.3 Oc1c(F)cccc1Br Amb8397125 [0,1,0,1,0,0|2,0,0]=4 3642 B9R1.3 Oc1c(F)cccc1Cl Amb2686043 [0,1,0,1,0,0|2,0,0]=4 3643 B9R1.3 Oc1c(F)cccc1F Amb33531147 [0,1,0,1,0,0|2,0,0]=4 3644 B9R1.3 Oc1c(F)cccc1I Amb8628748 [0,1,0,1,0,0|2,0,0]=4 3645 B9R1.3 Oc1c(F)cccc1S Amb27838638 [0,1,0,1,0,0|1,1,0]=4 3646 B9R1.3 Oc1c(I)cccc1I Amb19987080 [0,1,0,1,0,0|2,0,0]=4 3647 B9R1.3 Oc1c(S)cccc1Br Amb27223115 [0,1,0,1,0,0|1,1,0]=4 3648 B9R1.3 Oc1c(S)cccc1Cl Amb25889727 [0,1,0,1,0,0|1,1,0]=4 3649 B9R1.3 Oc1c(S)cccc1I Amb25918747 [0,1,0,1,0,0|1,1,0]=4 3650 B9R1.3 Oc1cccc(Br)c1Br Amb2698485 [0,1,0,1,0,0|2,0,0]=4 3651 B9R1.3 Oc1cccc(Br)c1Cl Amb2698314 [0,1,0,1,0,0|2,0,0]=4 3652 B9R1.3 Oc1cccc(Br)c1F Amb10976043 [0,1,0,1,0,0|2,0,0]=4 3653 B9R1.3 Oc1cccc(Br)c1I Amb2698313 [0,1,0,1,0,0|2,0,0]=4 3654 B9R1.3 Oc1cccc(Br)c1O Amb19958025 [0,1,0,1,0,0|1,0,1]=4 3655 B9R1.3 Oc1cccc(Br)c1S Amb26516042 [0,1,0,1,0,0|1,1,0]=4 3656 B9R1.3 Oc1cccc(Cl)c1Br Amb2698312 [0,1,0,1,0,0|2,0,0]=4 3657 B9R1.3 Oc1cccc(Cl)c1Cl Amb3939537 [0,1,0,1,0,0|2,0,0]=4 3658 B9R1.3 Oc1cccc(Cl)c1F Amb2686044 [0,1,0,1,0,0|2,0,0]=4 3659 B9R1.3 Oc1cccc(Cl)c1I Amb2698413 [0,1,0,1,0,0|2,0,0]=4 3660 B9R1.3 Oc1cccc(Cl)c1O Amb18644170 [0,1,0,1,0,0|1,0,1]=4 3661 B9R1.3 Oc1cccc(Cl)c1S Amb28126613 [0,1,0,1,0,0|1,1,0]=4 3662 B9R1.3 Oc1cccc(F)c1Br Amb2698311 [0,1,0,1,0,0|2,0,0]=4 3663 B9R1.3 Oc1cccc(F)c1Cl Amb2698412 [0,1,0,1,0,0|2,0,0]=4 3664 B9R1.3 Oc1cccc(F)c1F Amb842446 [0,1,0,1,0,0|2,0,0]=4 3665 B9R1.3 Oc1cccc(F)c1I Amb2698572 [0,1,0,1,0,0|2,0,0]=4 3666 B9R1.3 Oc1cccc(F)c1O Amb2688076 [0,1,0,1,0,0|1,0,1]=4 3667 B9R1.3 Oc1cccc(F)c1S Amb25713866 [0,1,0,1,0,0|1,1,0]=4 3668 B9R1.3 Oc1cccc(I)c1Br Amb2698315 [0,1,0,1,0,0|2,0,0]=4 3669 B9R1.3 Oc1cccc(I)c1Cl Amb2698414 [0,1,0,1,0,0|2,0,0]=4 3670 B9R1.3 Oc1cccc(I)c1F Amb22896489 [0,1,0,1,0,0|2,0,0]=4 3671 B9R1.3 Oc1cccc(I)c1O Amb21962958 [0,1,0,1,0,0|1,0,1]=4 3672 B9R1.3 Oc1cccc(I)c1S Amb27628356 [0,1,0,1,0,0|1,1,0]=4 3673 B9R1.3 Oc1cccc(O)c1Br Amb18129230 [0,1,0,1,0,0|2,0,0]=4 3674 B9R1.3 Oc1cccc(O)c1Cl Amb8391170 [0,1,0,1,0,0|2,0,0]=4 3675 B9R1.3 Oc1cccc(O)c1F Amb15690891 [0,1,0,1,0,0|2,0,0]=4 3676 B9R1.3 Oc1cccc(O)c1I Amb16191963 [0,1,0,1,0,0|2,0,0]=4 3677 B9R1.3 Oc1cccc(O)c1O Amb2609026 [0,1,0,1,0,0|1,0,1]=4 3678 B9R1.3 Oc1cccc(S)c1Br Amb26079374 [0,1,0,1,0,0|2,0,0]=4 3679 B9R1.3 Oc1cccc(S)c1F Amb26657821 [0,1,0,1,0,0|2,0,0]=4 3680 B9R1.3 Oc1cccc(S)c1O Amb24614044 [0,1,0,1,0,0|1,0,1]=4 3681 B9R1.3 [BH3-][n+]1c(C)cccc1C Amb33801898 [0,1,0,1,0,0|2,0,0]=4 3682 B9R1.5 CC1=CC=CCCC1=O Amb27803075 [0,1,0,1,0,0|1,0,0]=3 3683 B9R1.5 CC1=CCC=CCC1O Amb27653215 [0,1,0,1,0,0|1,0,1]=4 3684 B9R1.5 CC1C=CC=CCC1=O Amb27206986 [0,1,0,1,0,0|1,0,1]=4 3685 B9R1.5 NC1=CC=CC=CC1=O Amb22295786 [0,1,0,1,0,0|1,0,1]=4 3686 B9R1.5 O=C1C=CC=CC=C1Br Amb24465155 [0,1,0,1,0,0|1,0,1]=4 3687 B9R1.5 O=C1C=CC=CC=C1Cl Amb22731598 [0,1,0,1,0,0|1,0,1]=4 3688 B9R1.5 O=C1C=CC=CC=C1F Amb28202065 [0,1,0,1,0,0|1,0,1]=4 3689 B9R1.5 O=C1C=CC=CC=C1O Amb20242380 [0,1,0,1,0,0|0,0,1]=3 3690 B9R1.5 O=C1C=CC=CC=C1[S-] Amb26515940 [0,1,0,1,0,0|0,1,1]=4 3691 B9R1.5 O=C1C=CC=CCC1=O Amb25319856 [0,1,0,1,0,0|0,0,1]=3 3692 B9R1.5 O=C1C=CCCCC1O Amb27838742 [0,1,0,1,0,0|0,0,2]=4 3693 B9R1.11 C#CC(=O)c1ccco1 Amb27465291 [0,1,0,1,0,0|2,0,0]=4 3694 B9R1.11 C=C(CO)c1cccs1 Amb27395559 [0,1,0,1,0,0|2,0,0]=4 3695 B9R1.11 C=CC(=O)c1ccco1 Amb16232452 [0,1,0,1,0,0|2,0,0]=4 3696 B9R1.11 C=CC(=O)c1cccs1 Amb18562033 [0,1,0,1,0,0|2,0,0]=4 3697 B9R1.11 CC(CO)=C1C=CC=C1 Amb27981717 [0,1,0,1,0,0|1,0,1]=4 3698 B9R1.11 CCC(=O)c1ccco1 Amb844124 [0,1,0,1,0,0|2,0,0]=4 3699 B9R1.11 CCC(=O)c1cccs1 Amb2690591 [0,1,0,1,0,0|2,0,0]=4 3700 B9R1.11 CNC(=O)c1ccco1 Amb2612183 [0,1,0,1,0,0|2,0,0]=4 3701 B9R1.11 CNC(=O)c1cccs1 Amb2612184 [0,1,0,1,0,0|2,0,0]=4 3702 B9R1.11 COC(=N)c1cccs1 Amb17621680 [0,1,0,1,0,0|2,0,0]=4 3703 B9R1.11 COC(=O)C1=CCCC1 Amb8385478 [0,1,0,1,0,0|0,0,2]=4 3704 B9R1.11 COC(=O)C1=CCSC1 Amb22235064 [0,1,0,1,0,0|1,0,1]=4 3705 B9R1.11 COC(=O)C1=COCC1 Amb27860268 [0,1,0,1,0,0|1,0,1]=4 3706 B9R1.11 COC(=O)C1C=CCC1 Amb23456135 [0,1,0,1,0,0|0,0,2]=4 3707 B9R1.11 COC(=O)C1CC=CC1 Amb2695401 [0,1,0,1,0,0|0,0,2]=4 3708 B9R1.11 COC(=O)N1C=CCC1 Amb17843576 [0,1,0,1,0,0|1,0,1]=4 3709 B9R1.11 COC(=O)N1CC=CC1 Amb2612456 [0,1,0,1,0,0|1,0,1]=4 3710 B9R1.11 COC(=O)[SH]1CC=CC1 Amb26566886 [0,1,0,1,0,0|1,0,1]=4 3711 B9R1.11 COC(=O)c1ccco1 Amb4302709 [0,1,0,1,0,0|1,0,0]=3 3712 B9R1.11 COC(=O)c1cccs1 Amb1911537 [0,1,0,1,0,0|1,0,0]=3 3713 B9R1.11 COC(=O)c1ccno1 Amb4450531 [0,1,0,1,0,0|2,0,0]=4 3714 B9R1.11 COC(=O)c1ccns1 Amb13883507 [0,1,0,1,0,0|2,0,0]=4 3715 B9R1.11 COC(=O)c1ccoc1 Amb33531546 [0,1,0,1,0,0|1,0,1]=4 3716 B9R1.11 COC(=O)c1ccsc1 Amb9245220 [0,1,0,1,0,0|1,0,1]=4 3717 B9R1.11 COC(=O)c1cnco1 Amb21520455 [0,1,0,1,0,0|2,0,0]=4 3718 B9R1.11 COC(=O)c1cncs1 Amb2455728 [0,1,0,1,0,0|2,0,0]=4 3719 B9R1.11 COC(=O)c1cocn1 Amb21857674 [0,1,0,1,0,0|2,0,0]=4 3720 B9R1.11 COC(=O)c1cscn1 Amb10067320 [0,1,0,1,0,0|2,0,0]=4 3721 B9R1.11 COC(=O)c1ncco1 Amb22001762 [0,1,0,1,0,0|2,0,0]=4 3722 B9R1.11 COC(=O)c1nccs1 Amb10807389 [0,1,0,1,0,0|2,0,0]=4 3723 B9R1.11 COC(=O)n1cccc1 Amb4477192 [0,1,0,1,0,0|1,0,1]=4 3724 B9R1.11 COC(=O)n1cccn1 Amb3373376 [0,1,0,1,0,0|2,0,0]=4 3725 B9R1.11 COC(=S)c1cccs1 Amb27782424 [0,1,0,1,0,0|1,1,0]=4 3726 B9R1.11 C\C(=N/O)c1ccco1 Amb6739803 [0,1,0,1,0,0|2,0,0]=4 3727 B9R1.11 C\C(=N/O)c1cccs1 Amb6355845 [0,1,0,1,0,0|2,0,0]=4 3728 B9R1.11 C\C(=N\O)c1ccco1 Amb4018078 [0,1,0,1,0,0|2,0,0]=4 3729 B9R1.11 C\C(=N\O)c1cccs1 Amb4020390 [0,1,0,1,0,0|2,0,0]=4 3730 B9R1.11 N#CC(=O)c1ccco1 Amb17231835 [0,1,0,1,0,0|2,0,0]=4 3731 B9R1.11 N#CC(=O)c1cccs1 Amb2779505 [0,1,0,1,0,0|2,0,0]=4 3732 B9R1.11 NCC(=O)c1ccco1 Amb18642269 [0,1,0,1,0,0|2,0,0]=4 3733 B9R1.11 NCC(=O)c1ccco1 Amb19373982 [0,1,0,1,0,0|2,0,0]=4 3734 B9R1.11 NCC(=O)c1cccs1 Amb1286169 [0,1,0,1,0,0|2,0,0]=4 3735 B9R1.11 NCC(=O)c1cccs1 Amb5739529 [0,1,0,1,0,0|2,0,0]=4 3736 B9R1.11 NNC(=O)c1ccco1 Amb6364758 [0,1,0,1,0,0|2,0,0]=4 3737 B9R1.11 NNC(=O)c1cccs1 Amb33038267 [0,1,0,1,0,0|2,0,0]=4 3738 B9R1.11 NNC(=O)c1cccs1 Amb6355875 [0,1,0,1,0,0|2,0,0]=4 3739 B9R1.11 N\C(=N/O)c1ccco1 Amb22587188 [0,1,0,1,0,0|2,0,0]=4 3740 B9R1.11 N\C(=N/O)c1ccco1 Amb8831731 [0,1,0,1,0,0|2,0,0]=4 3741 B9R1.11 N\C(=N/O)c1cccs1 Amb6384078 [0,1,0,1,0,0|2,0,0]=4 3742 B9R1.11 N\C(=N\O)c1ccco1 Amb2696503 [0,1,0,1,0,0|2,0,0]=4 3743 B9R1.11 N\C(=N\O)c1cccs1 Amb1106021 [0,1,0,1,0,0|2,0,0]=4 3744 B9R1.11 O=C(CBr)c1ccco1 Amb2721798 [0,1,0,1,0,0|2,0,0]=4 3745 B9R1.11 O=C(CBr)c1cccs1 Amb2720497 [0,1,0,1,0,0|2,0,0]=4 3746 B9R1.11 O=C(CCl)c1ccco1 Amb17138398 [0,1,0,1,0,0|2,0,0]=4 3747 B9R1.11 O=C(CCl)c1cccs1 Amb2686490 [0,1,0,1,0,0|2,0,0]=4 3748 B9R1.11 O=C(CF)c1cccs1 Amb21964939 [0,1,0,1,0,0|2,0,0]=4 3749 B9R1.11 O=C(CI)c1cccs1 Amb28368856 [0,1,0,1,0,0|2,0,0]=4 3750 B9R1.11 O=C(CO)c1ccco1 Amb17689139 [0,1,0,1,0,0|1,0,0]=3 3751 B9R1.11 O=C(CO)c1cccs1 Amb25742219 [0,1,0,1,0,0|1,0,0]=3 3752 B9R1.11 O=C(CS)c1cccs1 Amb17400035 [0,1,0,1,0,0|1,1,0]=4 3753 B9R1.11 O=C(NO)C1=CCCC1 Amb25178133 [0,1,0,1,0,0|0,0,2]=4 3754 B9R1.11 O=C(NO)c1ccco1 Amb6270335 [0,1,0,1,0,0|1,0,0]=3 3755 B9R1.11 O=C(NO)c1cccs1 Amb1151586 [0,1,0,1,0,0|1,0,0]=3 3756 B9R1.11 O=C(NO)c1ccno1 Amb27448090 [0,1,0,1,0,0|2,0,0]=4 3757 B9R1.11 O=C(NO)c1ccon1 Amb27856744 [0,1,0,1,0,0|2,0,0]=4 3758 B9R1.11 O=C(NO)c1cncs1 Amb27494447 [0,1,0,1,0,0|2,0,0]=4 3759 B9R1.11 O=C(NO)c1cocn1 Amb28318358 [0,1,0,1,0,0|2,0,0]=4 3760 B9R1.11 O=C(NO)c1nccs1 Amb27837648 [0,1,0,1,0,0|2,0,0]=4 3761 B9R1.11 O=C(NO)n1cccc1 Amb25114377 [0,1,0,1,0,0|1,0,1]=4 3762 B9R1.11 O=C(N[O-])c1cccs1 Amb471648 [0,1,0,1,0,0|1,0,1]=4 3763 B9R1.11 O=C(O[Cu])c1cccs1 Amb13890298 [0,1,0,1,0,0|1,0,0]=3 3764 B9R1.11 O=C(O[Na])c1cccs1 Amb3150403 [0,1,0,1,0,0|1,0,0]=3 3765 B9R1.11 O=CC(=O)c1ccco1 Amb17593264 [0,1,0,1,0,0|1,0,1]=4 3766 B9R1.11 O=CC(=O)c1cccs1 Amb10067937 [0,1,0,1,0,0|1,0,1]=4 3767 B9R1.11 O=CC(=O)c1cccs1 Amb10607111 [0,1,0,1,0,0|1,0,1]=4 3768 B9R1.11 O\C=C(\Cl)c1ccco1 Amb27186090 [0,1,0,1,0,0|2,0,0]=4 3769 B9R1.11 O\N=C(\Cl)c1cccs1 Amb27864158 [0,1,0,1,0,0|2,0,0]=4 3770 B9R1.11 [NH3+]CC(=O)c1cccs1 Amb17848802 [0,1,0,1,0,0|2,0,0]=4 3771 B9R1.21 C#Cc1ccc(C=O)o1 Amb16192466 [0,1,0,1,0,0|0,0,2]=4 3772 B9R1.21 C#Cc1ccc(CC)o1 Amb27205080 [0,1,0,1,0,0|1,0,1]=4 3773 B9R1.21 C=Cc1ccc(C=O)s1 Amb18643293 [0,1,0,1,0,0|0,1,1]=4 3774 B9R1.21 C=Cc1ccc(OC)s1 Amb27638478 [0,1,0,1,0,0|0,1,1]=4 3775 B9R1.21 CCc1ccc(C#N)o1 Amb10574576 [0,1,0,1,0,0|1,0,1]=4 3776 B9R1.21 CCc1ccc(C=O)o1 Amb844097 [0,1,0,1,0,0|0,0,1]=3 3777 B9R1.21 CCc1ccc(C=O)s1 Amb2722496 [0,1,0,1,0,0|0,1,1]=4 3778 B9R1.21 CCc1ccc(CC)o1 Amb27221509 [0,1,0,1,0,0|1,0,1]=4 3779 B9R1.21 CCc1ccc(CN)o1 Amb18960153 [0,1,0,1,0,0|1,0,1]=4 3780 B9R1.21 CCc1ccc(CO)s1 Amb8846379 [0,1,0,1,0,0|0,1,1]=4 3781 B9R1.21 CCc1ccc(CS)o1 Amb24367663 [0,1,0,1,0,0|0,1,1]=4 3782 B9R1.21 CCc1ccc(NC)o1 Amb27955653 [0,1,0,1,0,0|1,0,1]=4 3783 B9R1.21 CCc1ccc(OC)o1 Amb25229999 [0,1,0,1,0,0|0,0,2]=4 3784 B9R1.21 CCc1ccc(OC)s1 Amb25380674 [0,1,0,1,0,0|0,1,1]=4 3785 B9R1.21 CCc1cnc(C=O)o1 Amb8011201 [0,1,0,1,0,0|1,0,1]=4 3786 B9R1.21 CCc1ncc(C=O)o1 Amb17399800 [0,1,0,1,0,0|1,0,1]=4 3787 B9R1.21 CNc1ccc(N=O)s1 Amb27963222 [0,1,0,1,0,0|1,1,0]=4 3788 B9R1.21 COc1ccc(C#N)o1 Amb26981933 [0,1,0,1,0,0|2,0,0]=4 3789 B9R1.21 COc1ccc(C=O)o1 Amb18832781 [0,1,0,1,0,0|1,0,0]=3 3790 B9R1.21 COc1ccc(C=O)s1 Amb17593592 [0,1,0,1,0,0|1,1,0]=4 3791 B9R1.21 COc1ccc(CS)o1 Amb27867382 [0,1,0,1,0,0|1,1,0]=4 3792 B9R1.21 COc1ccc(OC)o1 Amb22295890 [0,1,0,1,0,0|1,0,1]=4 3793 B9R1.21 CSc1ccc(C=O)o1 Amb18643872 [0,1,0,1,0,0|1,0,0]=3 3794 B9R1.21 CSc1ccc(C=O)s1 Amb2725774 [0,1,0,1,0,0|1,1,0]=4 3795 B9R1.21 CSc1ccc(CN)o1 Amb18908342 [0,1,0,1,0,0|2,0,0]=4 3796 B9R1.21 CSc1ccc(CN)o1 Amb31156141 [0,1,0,1,0,0|2,0,0]=4 3797 B9R1.21 CSc1ccc(CO)s1 Amb24364786 [0,1,0,1,0,0|1,1,0]=4 3798 B9R1.21 CSc1ccc(N=O)s1 Amb27438625 [0,1,0,1,0,0|1,1,0]=4 3799 B9R1.21 N#Cc1ccc(C=O)o1 Amb18124285 [0,1,0,1,0,0|1,0,1]=4 3800 B9R1.21 O=CC1=CC=C(CO)C1 Amb28342387 [0,1,0,1,0,0|2,0,0]=4 3801 B9R1.21 O=Cc1ccc(C=O)o1 Amb8388343 [0,1,0,1,0,0|1,0,0]=3 3802 B9R1.21 O=Cc1ccc(C=O)s1 Amb587984 [0,1,0,1,0,0|1,1,0]=4 3803 B9R1.21 O=Cc1ccc(CCl)o1 Amb6888398 [0,1,0,1,0,0|1,0,1]=4 3804 B9R1.21 O=Cc1ccc(CO)o1 Amb2715062 [0,1,0,1,0,0|1,0,1]=4 3805 B9R1.21 O=Cc1ccc(CO)s1 Amb18643874 [0,1,0,1,0,0|1,1,0]=4 3806 B9R1.49 CC1=CNC(=O)NC=C1 Amb27643010 [0,1,0,1,0,0|2,0,0]=4 3807 B9R1.49 O=C1C=CC(=O)CCC1 Amb28351041 [0,1,0,1,0,0|1,0,1]=4 3808 B9R1.49 O=C1C=CC=C(O)C=C1 Amb18048395 [0,1,0,1,0,0|1,0,1]=4 3809 B9R1.50 O=C1C=CC=CCC=C1 Amb27260505 [0,1,0,1,0,0|1,0,0]=3 3810 B9R1.50 O=C1C=CC=CCCC1 Amb27164621 [0,1,0,1,0,0|1,0,0]=3 3811 B9R1.50 O=C1C=CCC=CCC1 Amb28207621 [0,1,0,1,0,0|1,0,0]=3 3812 B9R1.50 O=C1CC=CCCOC1 Amb22364797 [0,1,0,1,0,0|0,0,2]=4 3813 B9R1.50 OC1C=CCC=CCC1 Amb27825906 [0,1,0,1,0,0|1,0,1]=4 3814 B9R1.50 O[C@@H]1C=CC=CCCC1 Amb27841912 [0,1,0,1,0,0|1,0,1]=4 3815 B9R1.50 O[C@@H]1C=CCC=CCC1 Amb28315535 [0,1,0,1,0,0|1,0,1]=4 3816 B9R1.50 O[C@H]1C=CC=CCCC1 Amb28315480 [0,1,0,1,0,0|1,0,1]=4 3817 B9R1.79 COC(=O)C=C1CCC1 Amb22232619 [0,1,0,1,0,0|0,0,2]=4 3818 B9R1.79 COC(=O)C=C1CNC1 Amb24572676 [0,1,0,1,0,0|1,0,1]=4 3819 B9R1.79 COC(=O)C=C1CNC1 Amb34153652 [0,1,0,1,0,0|1,0,1]=4 3820 B9R1.79 COC(=O)C=C1COC1 Amb21928013 [0,1,0,1,0,0|1,0,1]=4 3821 B9R1.80 COC(=O)\C=C\C1CC1 Amb33986066 [0,1,0,1,0,0|0,0,2]=4 3822 B9R1.89 COC1=CC=CC=CC1 Amb25887191 [0,1,0,1,0,0|1,0,1]=4 3823 B9R1.89 O=CC1=CC=CC=CC1 Amb17593229 [0,1,0,1,0,0|1,0,1]=4 3824 B9R1.89 O=CC1=CCC=CC=C1 Amb27955933 [0,1,0,1,0,0|1,0,0]=3 3825 B9R1.89 OCC1=CCC=CCC1 Amb28315414 [0,1,0,1,0,0|1,0,1]=4 3826 B9R1.118 CC1(C=O)C=CC=CC1 Amb27483497 [0,1,0,1,0,0|1,0,1]=4 3827 B9R1.132 CO[C@@H]1C=CC(=O)[C@H]1O Amb27844193 [0,1,0,1,0,0|1,0,1]=4 3828 B9R1.6 CC(=O)C1C=CC=CN1 Amb27849933 [0,1,0,1,0,0|2,0,0]=4 3829 B9R1.6 CC(=O)c1ccccc1 Amb2792761 [0,1,0,1,0,0|1,0,1]=4 3830 B9R1.6 CC(=O)c1ccccn1 Amb932786 [0,1,0,1,0,0|1,0,1]=4 3831 B9R1.6 CC(=O)c1cccnc1 Amb2610530 [0,1,0,1,0,0|1,0,1]=4 3832 B9R1.6 CC(=O)c1cccnn1 Amb20242017 [0,1,0,1,0,0|2,0,0]=4 3833 B9R1.6 CC(=O)c1ccncc1 Amb2792762 [0,1,0,1,0,0|1,0,1]=4 3834 B9R1.6 CC(=O)c1ccncn1 Amb19959228 [0,1,0,1,0,0|2,0,0]=4 3835 B9R1.6 CC(=O)c1cnccn1 Amb2684281 [0,1,0,1,0,0|2,0,0]=4 3836 B9R1.6 CC(=O)c1ncccn1 Amb33534997 [0,1,0,1,0,0|2,0,0]=4 3837 B9R1.6 N=C(O)c1cnccn1 Amb22166847 [0,1,0,1,0,0|2,0,0]=4 3838 B9R1.6 NC(=O)C1=CC=CNC1 Amb28397885 [0,1,0,1,0,0|1,0,0]=3 3839 B9R1.6 NC(=O)C1=CNC=CC1 Amb24574438 [0,1,0,1,0,0|1,0,0]=3 3840 B9R1.6 NC(=O)[n+]1ccccc1 Amb27806689 [0,1,0,1,0,0|1,0,1]=4 3841 B9R1.6 NC(=O)c1ccc[nH+]c1 Amb8465811 [0,1,0,1,0,0|1,0,1]=4 3842 B9R1.6 NC(=O)c1ccccc1 Amb6399766 [0,1,0,1,0,0|1,0,1]=4 3843 B9R1.6 NC(=O)c1ccccn1 Amb1219876 [0,1,0,1,0,0|1,0,1]=4 3844 B9R1.6 NC(=O)c1cccnc1 Amb2609940 [0,1,0,1,0,0|1,0,1]=4 3845 B9R1.6 NC(=O)c1cccnn1 Amb22499430 [0,1,0,1,0,0|2,0,0]=4 3846 B9R1.6 NC(=O)c1ccncc1 Amb5721989 [0,1,0,1,0,0|1,0,1]=4 3847 B9R1.6 NC(=O)c1ccncn1 Amb24074283 [0,1,0,1,0,0|2,0,0]=4 3848 B9R1.6 NC(=O)c1cnccn1 Amb534509 [0,1,0,1,0,0|2,0,0]=4 3849 B9R1.6 NC(=O)c1ncccn1 Amb8631041 [0,1,0,1,0,0|2,0,0]=4 3850 B9R1.6 O=C(Br)c1ccccc1 Amb8513573 [0,1,0,1,0,0|1,0,1]=4 3851 B9R1.6 O=C(Cl)c1cc[nH+]cc1 Amb21952993 [0,1,0,1,0,0|1,0,1]=4 3852 B9R1.6 O=C(Cl)c1ccccc1 Amb3939302 [0,1,0,1,0,0|1,0,1]=4 3853 B9R1.6 O=C(Cl)c1ccccn1 Amb22492448 [0,1,0,1,0,0|1,0,1]=4 3854 B9R1.6 O=C(Cl)c1ccccn1 Amb2690341 [0,1,0,1,0,0|1,0,1]=4 3855 B9R1.6 O=C(Cl)c1ccccn1 Amb3939534 [0,1,0,1,0,0|1,0,1]=4 3856 B9R1.6 O=C(Cl)c1cccnc1 Amb33531191 [0,1,0,1,0,0|1,0,1]=4 3857 B9R1.6 O=C(Cl)c1cccnc1 Amb839669 [0,1,0,1,0,0|1,0,1]=4 3858 B9R1.6 O=C(Cl)c1ccncc1 Amb2707217 [0,1,0,1,0,0|1,0,1]=4 3859 B9R1.6 O=C(Cl)c1ccncc1 Amb2720189 [0,1,0,1,0,0|1,0,1]=4 3860 B9R1.6 O=C(Cl)c1cnccn1 Amb2455965 [0,1,0,1,0,0|2,0,0]=4 3861 B9R1.6 O=C(F)c1ccccc1 Amb10607152 [0,1,0,1,0,0|1,0,1]=4 3862 B9R1.6 O=C(O)C1=CCCCC1 Amb2720517 [0,1,0,1,0,0|0,0,2]=4 3863 B9R1.6 O=C(O)C1=CCCCN1 Amb23585365 [0,1,0,1,0,0|0,0,2]=4 3864 B9R1.6 O=C(O)C1=CCCCO1 Amb2700341 [0,1,0,1,0,0|0,0,2]=4 3865 B9R1.6 O=C(O)C1=CCCNC1 Amb10608557 [0,1,0,1,0,0|0,0,2]=4 3866 B9R1.6 O=C(O)C1=CCCNC1 Amb8503496 [0,1,0,1,0,0|0,0,2]=4 3867 B9R1.6 O=C(O)C1=CCCOC1 Amb19958529 [0,1,0,1,0,0|0,0,2]=4 3868 B9R1.6 O=C(O)C1=CCCSC1 Amb19515066 [0,1,0,1,0,0|0,0,2]=4 3869 B9R1.6 O=C(O)C1=CCNCC1 Amb10843904 [0,1,0,1,0,0|0,0,2]=4 3870 B9R1.6 O=C(O)C1=CCNCC1 Amb2698151 [0,1,0,1,0,0|0,0,2]=4 3871 B9R1.6 O=C(O)C1=CCOC=C1 Amb27860440 [0,1,0,1,0,0|1,0,0]=3 3872 B9R1.6 O=C(O)C1=CCOCC1 Amb18642574 [0,1,0,1,0,0|0,0,2]=4 3873 B9R1.6 O=C(O)C1=COCCC1 Amb18642576 [0,1,0,1,0,0|0,0,2]=4 3874 B9R1.6 O=C(O)C1=COCCO1 Amb1106470 [0,1,0,1,0,0|1,0,1]=4 3875 B9R1.6 O=C(O)C1=CSCCO1 Amb20455323 [0,1,0,1,0,0|1,0,1]=4 3876 B9R1.6 O=C(O)C1=NC=CCC1 Amb26865460 [0,1,0,1,0,0|0,0,1]=3 3877 B9R1.6 O=C(O)C1=NCC=CC1 Amb27945577 [0,1,0,1,0,0|0,0,1]=3 3878 B9R1.6 O=C(O)C1C=CCC=C1 Amb17593268 [0,1,0,1,0,0|0,0,2]=4 3879 B9R1.6 O=C(O)C1C=CCCC1 Amb18642396 [0,1,0,1,0,0|0,0,2]=4 3880 B9R1.6 O=C(O)C1C=CCCN1 Amb25145978 [0,1,0,1,0,0|0,0,2]=4 3881 B9R1.6 O=C(O)C1C=CCCN1 Amb35750834 [0,1,0,1,0,0|0,0,2]=4 3882 B9R1.6 O=C(O)C1C=CCNC1 Amb18642497 [0,1,0,1,0,0|0,0,2]=4 3883 B9R1.6 O=C(O)C1C=CCNC1 Amb35747468 [0,1,0,1,0,0|0,0,2]=4 3884 B9R1.6 O=C(O)C1C=CSCN1 Amb26922618 [0,1,0,1,0,0|1,0,1]=4 3885 B9R1.6 O=C(O)C1CC=CCC1 Amb2695197 [0,1,0,1,0,0|0,0,2]=4 3886 B9R1.6 O=C(O)C1CC=CCN1 Amb2698158 [0,1,0,1,0,0|0,0,2]=4 3887 B9R1.6 O=C(O)C1CC=CCO1 Amb18642584 [0,1,0,1,0,0|0,0,2]=4 3888 B9R1.6 O=C(O)[C@@H]1CC=CC=N1 Amb25968999 [0,1,0,1,0,0|0,0,1]=3 3889 B9R1.6 O=C(O)[C@@H]1CC=CCC1 Amb19131346 [0,1,0,1,0,0|0,0,2]=4 3890 B9R1.6 O=C(O)[C@@H]1CCC=CN1 Amb19888332 [0,1,0,1,0,0|0,0,2]=4 3891 B9R1.6 O=C(O)[C@H]1CC=CCC1 Amb17611453 [0,1,0,1,0,0|0,0,2]=4 3892 B9R1.6 O=C(O)[C@H]1CCC=CO1 Amb28070479 [0,1,0,1,0,0|0,0,2]=4 3893 B9R1.6 O=C(O)c1ccccc1 Amb1935196 [0,1,0,1,0,0|0,0,1]=3 3894 B9R1.6 O=C(O)c1ccccc1 Amb22002523 [0,1,0,1,0,0|0,0,1]=3 3895 B9R1.6 O=C(O)c1ccccc1 Amb22336602 [0,1,0,1,0,0|0,0,1]=3 3896 B9R1.6 O=C(O)c1ccccc1 Amb22351742 [0,1,0,1,0,0|0,0,1]=3 3897 B9R1.6 O=C(O)c1ccccn1 Amb1227737 [0,1,0,1,0,0|0,0,1]=3 3898 B9R1.6 O=C(O)c1ccccn1 Amb4035065 [0,1,0,1,0,0|0,0,1]=3 3899 B9R1.6 O=C(O)c1cccnc1 Amb1195995 [0,1,0,1,0,0|0,0,1]=3 3900 B9R1.6 O=C(O)c1cccnn1 Amb33544461 [0,1,0,1,0,0|1,0,0]=3 3901 B9R1.6 O=C(O)c1ccncc1 Amb2609990 [0,1,0,1,0,0|0,0,1]=3 3902 B9R1.6 O=C(O)c1ccncn1 Amb1102414 [0,1,0,1,0,0|1,0,0]=3 3903 B9R1.6 O=C(O)c1ccnnc1 Amb2691390 [0,1,0,1,0,0|1,0,1]=4 3904 B9R1.6 O=C(O)c1cnccn1 Amb2455963 [0,1,0,1,0,0|1,0,0]=3 3905 B9R1.6 O=C(O)c1cncnc1 Amb24099331 [0,1,0,1,0,0|1,0,1]=4 3906 B9R1.6 O=C(O)c1cncnc1 Amb33527289 [0,1,0,1,0,0|1,0,1]=4 3907 B9R1.6 O=C(O)c1cncnn1 Amb18832864 [0,1,0,1,0,0|2,0,0]=4 3908 B9R1.6 O=C(O)c1cnncn1 Amb26419787 [0,1,0,1,0,0|2,0,0]=4 3909 B9R1.6 O=C(O)c1ncccn1 Amb19330380 [0,1,0,1,0,0|1,0,0]=3 3910 B9R1.6 O=C(O)c1ncccn1 Amb2720395 [0,1,0,1,0,0|1,0,0]=3 3911 B9R1.6 O=C(O)c1nccnn1 Amb33719343 [0,1,0,1,0,0|2,0,0]=4 3912 B9R1.6 O=C(O)c1nccnn1 Amb8010270 [0,1,0,1,0,0|2,0,0]=4 3913 B9R1.6 O=C(O)c1ncncn1 Amb27760009 [0,1,0,1,0,0|2,0,0]=4 3914 B9R1.6 O=C(S)c1ccccc1 Amb8513358 [0,1,0,1,0,0|0,1,1]=4 3915 B9R1.6 O=C([O-])c1ccccc1 Amb22053472 [0,1,0,1,0,0|0,0,2]=4 3916 B9R1.6 O=C([O-])c1ccccc1 Amb22168438 [0,1,0,1,0,0|0,0,2]=4 3917 B9R1.6 O=C([O-])c1ccccc1 Amb8387740 [0,1,0,1,0,0|0,0,2]=4 3918 B9R1.6 O=C([O-])c1ccccc1 Amb8513916 [0,1,0,1,0,0|0,0,2]=4 3919 B9R1.6 O=C([O-])c1ccccc1 Amb8517378 [0,1,0,1,0,0|0,0,2]=4 3920 B9R1.6 O=C([O-])c1ccccn1 Amb22058087 [0,1,0,1,0,0|0,0,2]=4 3921 B9R1.6 O=C([O-])c1ccccn1 Amb22734923 [0,1,0,1,0,0|0,0,2]=4 3922 B9R1.6 O=C([O-])c1ccccn1 Amb8393579 [0,1,0,1,0,0|0,0,2]=4 3923 B9R1.6 O=C([O-])c1ccccn1 Amb8393582 [0,1,0,1,0,0|0,0,2]=4 3924 B9R1.6 O=C([O-])c1ccncc1 Amb22730239 [0,1,0,1,0,0|0,0,2]=4 3925 B9R1.6 O=C([O-])c1cnccn1 Amb594440 [0,1,0,1,0,0|1,0,1]=4 3926 B9R1.6 O=C([O-])c1ncccn1 Amb22643200 [0,1,0,1,0,0|1,0,1]=4 3927 B9R1.6 O=C([O-])c1ncccn1 Amb32411832 [0,1,0,1,0,0|1,0,1]=4 3928 B9R1.6 O=S(O)c1ccccc1 Amb17939345 [0,1,0,1,0,0|1,0,1]=4 3929 B9R1.6 O=S(O)c1cccnc1 Amb24062548 [0,1,0,1,0,0|1,0,1]=4 3930 B9R1.6 O=S(O)c1cccnc1 Amb32674890 [0,1,0,1,0,0|1,0,1]=4 3931 B9R1.6 O=[PH](O)c1ccccc1 Amb3371978 [0,1,0,1,0,0|1,0,1]=4 3932 B9R1.6 O=[Se](O)c1ccccc1 Amb4138617 [0,1,0,1,0,0|1,0,1]=4 3933 B9R1.6 OC(=S)c1ccccc1 Amb17942862 [0,1,0,1,0,0|0,1,1]=4 3934 B9R1.6 OC(=S)c1cccnc1 Amb22731908 [0,1,0,1,0,0|0,1,1]=4 3935 B9R1.6 [CH2-]C(=O)c1ncccn1 Amb27227006 [0,1,0,1,0,0|2,0,0]=4 3936 B9R1.9 O=C\C=C/C1CC(=O)O1 Amb28202384 [0,1,0,1,0,0|1,0,1]=4 3937 B9R1.40 C[C@]1(O)C=CC=C[C@@H]1O Amb27441472 [0,1,0,1,0,0|1,0,1]=4 3938 B9R1.46 CC1CC1\C=C\C(=O)O Amb33226425 [0,1,0,1,0,0|0,0,2]=4 3939 B9R1.46 C[C@@H]1O[C@H]1\C=C\C(=O)O Amb27191995 [0,1,0,1,0,0|0,0,2]=4 3940 B9R1.46 C[C@H]1O[C@H]1\C=C\C(=O)O Amb27614487 [0,1,0,1,0,0|0,0,2]=4 3941 B9R1.46 O=C(O)CCC1=C(Br)C1 Amb27650642 [0,1,0,1,0,0|0,0,2]=4 3942 B9R1.84 O=C(O)\C=C\C1CCC1 Amb20624021 [0,1,0,1,0,0|0,0,2]=4 3943 B9R1.84 O=C(O)\C=C\N1CCC1 Amb27494371 [0,1,0,1,0,0|0,0,2]=4 3944 B9R1.85 O=C(O)\C=C\CC1CC1 Amb33362399 [0,1,0,1,0,0|0,0,2]=4 3945 B9R1.85 O=C(O)\C=C\NC1CC1 Amb22363623 [0,1,0,1,0,0|0,0,2]=4 3946 B9R1.96 C\C=C1/CN[C@@H]1C(=O)O Amb25075476 [0,1,0,1,0,0|0,0,2]=4 3947 B9R1.96 O=C(O)C1C=CC1CO Amb27875148 [0,1,0,1,0,0|0,0,2]=4 3948 B9R1.96 O=C(O)[C@H]1C=C[C@H]1CO Amb27783406 [0,1,0,1,0,0|0,0,2]=4 3949 B9R1.23 C=Cc1cc(Br)c(Br)o1 Amb25340894 [0,1,0,1,0,0|1,0,1]=4 3950 B9R1.23 CC1=C\C(=C/Br)OC1=O Amb32415013 [0,1,0,1,0,0|1,0,0]=3 3951 B9R1.23 CC1=C\C(=C\Br)OC1=O Amb27620503 [0,1,0,1,0,0|1,0,0]=3 3952 B9R1.23 CCc1cc(C)c(C)o1 Amb27264803 [0,1,0,1,0,0|1,0,1]=4 3953 B9R1.23 CCc1cc(S)c(C)o1 Amb27240758 [0,1,0,1,0,0|1,0,1]=4 3954 B9R1.23 CNc1cc(C)c(C)o1 Amb27265811 [0,1,0,1,0,0|2,0,0]=4 3955 B9R1.23 C\C=C1/C=C(C)C(=O)C1 Amb24364089 [0,1,0,1,0,0|1,0,0]=3 3956 B9R1.23 C\C=C1/N=C(C)C(=O)O1 Amb24558024 [0,1,0,1,0,0|1,0,0]=3 3957 B9R1.23 Cc1cc(C=O)oc1Br Amb18187323 [0,1,0,1,0,0|2,0,0]=4 3958 B9R1.23 Cc1cc(C=O)oc1C Amb2722737 [0,1,0,1,0,0|2,0,0]=4 3959 B9R1.23 Cc1cc(C=O)oc1N Amb18832858 [0,1,0,1,0,0|2,0,0]=4 3960 B9R1.23 Cc1oc(C=O)cc1Br Amb18129294 [0,1,0,1,0,0|2,0,0]=4 3961 B9R1.23 Cc1oc(C=O)cc1F Amb18832650 [0,1,0,1,0,0|2,0,0]=4 3962 B9R1.23 Cc1oc(C=O)cc1N Amb18832845 [0,1,0,1,0,0|2,0,0]=4 3963 B9R1.23 Nc1cc(C=O)oc1Br Amb18189507 [0,1,0,1,0,0|2,0,0]=4 3964 B9R1.23 O=Cc1cc(Br)c(Br)o1 Amb1799053 [0,1,0,1,0,0|2,0,0]=4 3965 B9R1.23 O=Cc1cc(Br)c(Cl)o1 Amb18131113 [0,1,0,1,0,0|2,0,0]=4 3966 B9R1.23 O=Cc1cc(Br)c(I)o1 Amb3604338 [0,1,0,1,0,0|2,0,0]=4 3967 B9R1.35 C=C(C)C1=NCC(=O)O1 Amb27770419 [0,1,0,1,0,0|1,0,1]=4 3968 B9R1.35 C=C(C)c1cnc(N)o1 Amb33199154 [0,1,0,1,0,0|2,0,0]=4 3969 B9R1.35 CC(=O)C1=CCC(=S)O1 Amb27261937 [0,1,0,1,0,0|0,1,1]=4 3970 B9R1.35 CC(=O)N1C=CC(=O)N1 Amb24481715 [0,1,0,1,0,0|2,0,0]=4 3971 B9R1.35 CC(=O)c1cc(Br)cs1 Amb1946493 [0,1,0,1,0,0|2,0,0]=4 3972 B9R1.35 CC(=O)c1cc(C)cs1 Amb3941162 [0,1,0,1,0,0|2,0,0]=4 3973 B9R1.35 CC(=O)c1cc(Cl)cs1 Amb8396574 [0,1,0,1,0,0|2,0,0]=4 3974 B9R1.35 CC(=O)c1cc(F)cs1 Amb18831508 [0,1,0,1,0,0|2,0,0]=4 3975 B9R1.35 CC(=O)c1cc(I)cs1 Amb22751276 [0,1,0,1,0,0|2,0,0]=4 3976 B9R1.35 CC(=O)c1cc(N)cs1 Amb18678229 [0,1,0,1,0,0|2,0,0]=4 3977 B9R1.35 CC(=O)c1ccc(Br)[se]1 Amb2611508 [0,1,0,1,0,0|1,1,0]=4 3978 B9R1.35 CC(=O)c1ccc(Br)o1 Amb18678443 [0,1,0,1,0,0|1,0,0]=3 3979 B9R1.35 CC(=O)c1ccc(Br)s1 Amb1151096 [0,1,0,1,0,0|1,1,0]=4 3980 B9R1.35 CC(=O)c1ccc(C)o1 Amb1154368 [0,1,0,1,0,0|1,0,0]=3 3981 B9R1.35 CC(=O)c1ccc(C)s1 Amb1153736 [0,1,0,1,0,0|1,0,0]=3 3982 B9R1.35 CC(=O)c1ccc(Cl)s1 Amb1148733 [0,1,0,1,0,0|1,1,0]=4 3983 B9R1.35 CC(=O)c1ccc(F)s1 Amb18831509 [0,1,0,1,0,0|1,1,0]=4 3984 B9R1.35 CC(=O)c1ccc(I)s1 Amb19886673 [0,1,0,1,0,0|1,1,0]=4 3985 B9R1.35 CC(=O)c1ccc(N)o1 Amb18642262 [0,1,0,1,0,0|1,0,0]=3 3986 B9R1.35 CC(=O)c1ccc(N)s1 Amb17477841 [0,1,0,1,0,0|1,1,0]=4 3987 B9R1.35 CC(=O)c1ccc(O)s1 Amb34135974 [0,1,0,1,0,0|0,1,0]=3 3988 B9R1.35 CC(=O)c1ccc(S)s1 Amb25706073 [0,1,0,1,0,0|0,2,0]=4 3989 B9R1.35 CC(=O)c1ccn(C)c1 Amb3940523 [0,1,0,1,0,0|2,0,0]=4 3990 B9R1.35 CC(=O)c1ccn(C)n1 Amb33544400 [0,1,0,1,0,0|2,0,0]=4 3991 B9R1.35 CC(=O)c1cnc(Br)o1 Amb26391439 [0,1,0,1,0,0|2,0,0]=4 3992 B9R1.35 CC(=O)c1cnc(C)o1 Amb23437343 [0,1,0,1,0,0|2,0,0]=4 3993 B9R1.35 CC(=O)c1cnc(C)s1 Amb19882144 [0,1,0,1,0,0|2,0,0]=4 3994 B9R1.35 CC(=O)c1cnc(Cl)o1 Amb27246755 [0,1,0,1,0,0|2,0,0]=4 3995 B9R1.35 CC(=O)c1cnc(N)o1 Amb17231842 [0,1,0,1,0,0|2,0,0]=4 3996 B9R1.35 CC(=O)c1cnc(O)s1 Amb27838546 [0,1,0,1,0,0|1,1,0]=4 3997 B9R1.35 CC(=O)c1coc(C)n1 Amb18832850 [0,1,0,1,0,0|2,0,0]=4 3998 B9R1.35 CC(=O)c1csc(C)c1 Amb22494674 [0,1,0,1,0,0|2,0,0]=4 3999 B9R1.35 CC(=O)c1csc(C)n1 Amb20622917 [0,1,0,1,0,0|2,0,0]=4 4000 B9R1.35 CC(=O)c1csc(C)n1 Amb493870 [0,1,0,1,0,0|2,0,0]=4 4001 B9R1.35 CC(=O)c1nc(C)co1 Amb21963773 [0,1,0,1,0,0|2,0,0]=4 4002 B9R1.35 CC(=O)c1nc(C)cs1 Amb22347859 [0,1,0,1,0,0|2,0,0]=4 4003 B9R1.35 CC(=O)c1ncc(C)o1 Amb18832862 [0,1,0,1,0,0|2,0,0]=4 4004 B9R1.35 CC(=O)c1ncc(C)s1 Amb18831720 [0,1,0,1,0,0|2,0,0]=4 4005 B9R1.35 CC(=S)c1ccc(Cl)s1 Amb27847567 [0,1,0,1,0,0|1,1,0]=4 4006 B9R1.35 CC(C)=C1N=CC(=O)O1 Amb27843713 [0,1,0,1,0,0|1,0,0]=3 4007 B9R1.35 CC(C)C1=CCC(=O)O1 Amb27462536 [0,1,0,1,0,0|0,0,2]=4 4008 B9R1.35 CC(C)c1ccc(Br)o1 Amb10600622 [0,1,0,1,0,0|1,0,1]=4 4009 B9R1.35 CC(C)c1ccc(N)o1 Amb10600623 [0,1,0,1,0,0|1,0,1]=4 4010 B9R1.35 CC(C)c1ccc(O)s1 Amb20617566 [0,1,0,1,0,0|0,1,1]=4 4011 B9R1.35 CC(Cl)c1ccc(Cl)o1 Amb26397531 [0,1,0,1,0,0|1,0,1]=4 4012 B9R1.35 CC(N)c1ccc(Br)o1 Amb25867182 [0,1,0,1,0,0|1,0,1]=4 4013 B9R1.35 CC(N)c1ccc(Cl)o1 Amb28069189 [0,1,0,1,0,0|1,0,1]=4 4014 B9R1.35 CC(N)c1ccc(O)s1 Amb27860172 [0,1,0,1,0,0|0,1,1]=4 4015 B9R1.35 CC(O)[C@H]1C=CC(=O)O1 Amb27632756 [0,1,0,1,0,0|0,0,2]=4 4016 B9R1.35 CC(O)c1ccc(Br)o1 Amb28049060 [0,1,0,1,0,0|1,0,1]=4 4017 B9R1.35 CC(O)c1ccc(Cl)o1 Amb24554790 [0,1,0,1,0,0|1,0,1]=4 4018 B9R1.35 CC(S)c1ccc(Br)o1 Amb26989930 [0,1,0,1,0,0|1,0,1]=4 4019 B9R1.35 CC1=CC(=C(C)C)C=C1 Amb24399879 [0,1,0,1,0,0|2,0,0]=4 4020 B9R1.35 CC1C=C(C(=O)O)CC1 Amb18642397 [0,1,0,1,0,0|0,0,2]=4 4021 B9R1.35 CC1C=CC(C(=O)O)O1 Amb18642586 [0,1,0,1,0,0|0,0,2]=4 4022 B9R1.35 CN(C)c1ccc(Br)o1 Amb24317621 [0,1,0,1,0,0|2,0,0]=4 4023 B9R1.35 CN1CC(C(=O)O)=CO1 Amb22388521 [0,1,0,1,0,0|2,0,0]=4 4024 B9R1.35 C[C@@H](N)c1ccc(Br)o1 Amb27810660 [0,1,0,1,0,0|1,0,1]=4 4025 B9R1.35 C[C@@H](N)c1ccc(Cl)o1 Amb27473386 [0,1,0,1,0,0|1,0,1]=4 4026 B9R1.35 C[C@@H](O)c1ccc(Br)o1 Amb26920850 [0,1,0,1,0,0|1,0,1]=4 4027 B9R1.35 C[C@@H](O)c1ccc(Cl)o1 Amb33258299 [0,1,0,1,0,0|1,0,1]=4 4028 B9R1.35 C[C@@H]1C=C[C@@H](C(=O)O)S1 Amb28347473 [0,1,0,1,0,0|0,0,2]=4 4029 B9R1.35 C[C@H](N)c1ccc(Br)o1 Amb27168658 [0,1,0,1,0,0|1,0,1]=4 4030 B9R1.35 C[C@H](N)c1ccc(Cl)o1 Amb26931153 [0,1,0,1,0,0|1,0,1]=4 4031 B9R1.35 C[C@H](N)c1ccc(F)o1 Amb28134653 [0,1,0,1,0,0|1,0,1]=4 4032 B9R1.35 C[C@H](O)[C@@H]1C=CC(=O)O1 Amb27213832 [0,1,0,1,0,0|0,0,2]=4 4033 B9R1.35 C[C@H](O)[C@H]1C=CC(=O)O1 Amb28435793 [0,1,0,1,0,0|0,0,2]=4 4034 B9R1.35 C[C@H](O)c1ccc(Br)o1 Amb28321678 [0,1,0,1,0,0|1,0,1]=4 4035 B9R1.35 C[C@H](O)c1ccc(Cl)o1 Amb33258305 [0,1,0,1,0,0|1,0,1]=4 4036 B9R1.35 Cc1cc(C(=O)Cl)cs1 Amb16230125 [0,1,0,1,0,0|2,0,0]=4 4037 B9R1.35 Cc1cc(C(=O)O)co1 Amb16231454 [0,1,0,1,0,0|1,0,0]=3 4038 B9R1.35 Cc1cc(C(=O)O)cs1 Amb6335894 [0,1,0,1,0,0|1,0,0]=3 4039 B9R1.35 Cc1cc(C(=O)O)no1 Amb6335305 [0,1,0,1,0,0|2,0,0]=4 4040 B9R1.35 Cc1cc(C(=O)O)ns1 Amb18202486 [0,1,0,1,0,0|2,0,0]=4 4041 B9R1.35 Cc1cc(C(=O)O)on1 Amb6315792 [0,1,0,1,0,0|2,0,0]=4 4042 B9R1.35 Cc1cc(C(=O)O)sn1 Amb33544153 [0,1,0,1,0,0|2,0,0]=4 4043 B9R1.35 Cc1cc(C(N)=O)co1 Amb23589835 [0,1,0,1,0,0|2,0,0]=4 4044 B9R1.35 Cc1cc(C(N)=O)cs1 Amb25700357 [0,1,0,1,0,0|2,0,0]=4 4045 B9R1.35 Cc1ccc(B(O)O)o1 Amb22586674 [0,1,0,1,0,0|1,0,1]=4 4046 B9R1.35 Cc1ccc(B(O)O)o1 Amb2720325 [0,1,0,1,0,0|1,0,1]=4 4047 B9R1.35 Cc1ccc(B(O)O)s1 Amb2720300 [0,1,0,1,0,0|1,0,1]=4 4048 B9R1.35 Cc1ccc(C(=N)N)o1 Amb21959999 [0,1,0,1,0,0|2,0,0]=4 4049 B9R1.35 Cc1ccc(C(=N)N)o1 Amb8834125 [0,1,0,1,0,0|2,0,0]=4 4050 B9R1.35 Cc1ccc(C(=N)N)s1 Amb17601556 [0,1,0,1,0,0|2,0,0]=4 4051 B9R1.35 Cc1ccc(C(=N)N)s1 Amb8834132 [0,1,0,1,0,0|2,0,0]=4 4052 B9R1.35 Cc1ccc(C(=O)Cl)o1 Amb2689440 [0,1,0,1,0,0|1,0,0]=3 4053 B9R1.35 Cc1ccc(C(=O)Cl)s1 Amb33528399 [0,1,0,1,0,0|1,0,0]=3 4054 B9R1.35 Cc1ccc(C(=O)O)o1 Amb6318544 [0,1,0,1,0,0|0,0,0]=2 4055 B9R1.35 Cc1ccc(C(=O)O)s1 Amb1157149 [0,1,0,1,0,0|0,0,0]=2 4056 B9R1.35 Cc1ccc(C(C)C)o1 Amb22749543 [0,1,0,1,0,0|1,0,1]=4 4057 B9R1.35 Cc1ccc(C(C)N)o1 Amb487237 [0,1,0,1,0,0|1,0,1]=4 4058 B9R1.35 Cc1ccc(C(C)O)o1 Amb6705773 [0,1,0,1,0,0|1,0,1]=4 4059 B9R1.35 Cc1ccc(C(C)O)s1 Amb2237071 [0,1,0,1,0,0|1,0,1]=4 4060 B9R1.35 Cc1ccc(C(C)S)o1 Amb9208021 [0,1,0,1,0,0|1,0,1]=4 4061 B9R1.35 Cc1ccc(C(N)=O)o1 Amb3359879 [0,1,0,1,0,0|1,0,0]=3 4062 B9R1.35 Cc1ccc(C(N)=O)s1 Amb8997732 [0,1,0,1,0,0|1,0,0]=3 4063 B9R1.35 Cc1ccc(C(N)=S)o1 Amb8834042 [0,1,0,1,0,0|1,1,0]=4 4064 B9R1.35 Cc1ccc(C(N)=S)s1 Amb8834046 [0,1,0,1,0,0|1,1,0]=4 4065 B9R1.35 Cc1ccc(S(=O)[O-])o1 Amb32754110 [0,1,0,1,0,0|1,0,1]=4 4066 B9R1.35 Cc1ccc(S(=O)[O-])s1 Amb24753008 [0,1,0,1,0,0|1,0,1]=4 4067 B9R1.35 Cc1ccc(S(C)=O)o1 Amb27230252 [0,1,0,1,0,0|2,0,0]=4 4068 B9R1.35 Cc1ccc([C@@H](C)N)o1 Amb13952993 [0,1,0,1,0,0|1,0,1]=4 4069 B9R1.35 Cc1ccc([C@@H](C)N)o1 Amb33712017 [0,1,0,1,0,0|1,0,1]=4 4070 B9R1.35 Cc1ccc([C@@H](C)O)o1 Amb13952991 [0,1,0,1,0,0|1,0,1]=4 4071 B9R1.35 Cc1ccc([C@@H](C)O)s1 Amb24625882 [0,1,0,1,0,0|1,0,1]=4 4072 B9R1.35 Cc1ccc([C@H](C)N)o1 Amb13952995 [0,1,0,1,0,0|1,0,1]=4 4073 B9R1.35 Cc1ccc([C@H](C)O)o1 Amb13952992 [0,1,0,1,0,0|1,0,1]=4 4074 B9R1.35 Cc1ccc([C@H](C)O)s1 Amb27249678 [0,1,0,1,0,0|1,0,1]=4 4075 B9R1.35 Cc1ccc([N+](=O)[O-])o1 Amb4021593 [0,1,0,1,0,0|1,0,1]=4 4076 B9R1.35 Cc1ccc([N+](=O)[O-])s1 Amb10574813 [0,1,0,1,0,0|1,0,1]=4 4077 B9R1.35 Cc1ccc([SiH](C)C)o1 Amb27843651 [0,1,0,1,0,0|1,1,0]=4 4078 B9R1.35 Cc1ccn(C(N)=O)n1 Amb2720537 [0,1,0,1,0,0|2,0,0]=4 4079 B9R1.35 Cc1cnc(C(=O)Cl)s1 Amb26455598 [0,1,0,1,0,0|2,0,0]=4 4080 B9R1.35 Cc1cnc(C(=O)O)o1 Amb18832708 [0,1,0,1,0,0|1,0,0]=3 4081 B9R1.35 Cc1cnc(C(=O)O)s1 Amb8010646 [0,1,0,1,0,0|1,0,0]=3 4082 B9R1.35 Cc1cnc(C(=O)[O-])o1 Amb24183598 [0,1,0,1,0,0|1,0,1]=4 4083 B9R1.35 Cc1cnc(C(=O)[O-])o1 Amb32653595 [0,1,0,1,0,0|1,0,1]=4 4084 B9R1.35 Cc1cnc(C(=O)[O-])o1 Amb33713544 [0,1,0,1,0,0|1,0,1]=4 4085 B9R1.35 Cc1cnc(C(=O)[O-])s1 Amb16187163 [0,1,0,1,0,0|1,0,1]=4 4086 B9R1.35 Cc1cnc(C(O)=S)s1 Amb27670233 [0,1,0,1,0,0|1,1,0]=4 4087 B9R1.35 Cc1coc(C(=O)O)c1 Amb18642368 [0,1,0,1,0,0|1,0,0]=3 4088 B9R1.35 Cc1coc(C(=O)O)n1 Amb18832706 [0,1,0,1,0,0|1,0,0]=3 4089 B9R1.35 Cc1coc(C(=O)[O-])n1 Amb30585199 [0,1,0,1,0,0|1,0,1]=4 4090 B9R1.35 Cc1csc(C(=O)Cl)c1 Amb2691601 [0,1,0,1,0,0|2,0,0]=4 4091 B9R1.35 Cc1csc(C(=O)O)c1 Amb2691600 [0,1,0,1,0,0|1,0,0]=3 4092 B9R1.35 Cc1csc(C(=O)O)n1 Amb5759010 [0,1,0,1,0,0|1,0,0]=3 4093 B9R1.35 Cc1csc(C(=O)[O-])n1 Amb9902127 [0,1,0,1,0,0|1,0,1]=4 4094 B9R1.35 Cc1csc(C(N)=O)c1 Amb2691602 [0,1,0,1,0,0|2,0,0]=4 4095 B9R1.35 Cc1nc(C(=O)Cl)co1 Amb22736505 [0,1,0,1,0,0|2,0,0]=4 4096 B9R1.35 Cc1nc(C(=O)Cl)cs1 Amb6572009 [0,1,0,1,0,0|2,0,0]=4 4097 B9R1.35 Cc1nc(C(=O)Cl)cs1 Amb8630401 [0,1,0,1,0,0|2,0,0]=4 4098 B9R1.35 Cc1nc(C(=O)O)co1 Amb6307241 [0,1,0,1,0,0|1,0,0]=3 4099 B9R1.35 Cc1nc(C(=O)O)cs1 Amb22587710 [0,1,0,1,0,0|1,0,0]=3 4100 B9R1.35 Cc1nc(C(=O)O)cs1 Amb2723085 [0,1,0,1,0,0|1,0,0]=3 4101 B9R1.35 Cc1nc(C(=O)O)cs1 Amb33446967 [0,1,0,1,0,0|1,0,0]=3 4102 B9R1.35 Cc1nc(C(=O)O)no1 Amb8010643 [0,1,0,1,0,0|2,0,0]=4 4103 B9R1.35 Cc1nc(C(N)=O)co1 Amb8483752 [0,1,0,1,0,0|2,0,0]=4 4104 B9R1.35 Cc1nc(C(N)=O)cs1 Amb4477412 [0,1,0,1,0,0|2,0,0]=4 4105 B9R1.35 Cc1ncc(C(=O)O)o1 Amb17399815 [0,1,0,1,0,0|1,0,0]=3 4106 B9R1.35 Cc1ncc(C(=O)O)s1 Amb8630402 [0,1,0,1,0,0|1,0,0]=3 4107 B9R1.35 Cc1ncc(C(N)=O)s1 Amb13952295 [0,1,0,1,0,0|2,0,0]=4 4108 B9R1.35 Cc1nnc(C(=O)O)o1 Amb3941251 [0,1,0,1,0,0|2,0,0]=4 4109 B9R1.35 Cc1nnc(C(=O)O)s1 Amb22234842 [0,1,0,1,0,0|2,0,0]=4 4110 B9R1.35 Cc1noc(C(=O)O)n1 Amb18687563 [0,1,0,1,0,0|2,0,0]=4 4111 B9R1.35 Cc1nsc(C(=O)O)n1 Amb18831516 [0,1,0,1,0,0|2,0,0]=4 4112 B9R1.35 Cn1cc(C(=O)O)cn1 Amb1099256 [0,1,0,1,0,0|2,0,0]=4 4113 B9R1.35 Cn1ccc(C(=O)Cl)n1 Amb2723918 [0,1,0,1,0,0|2,0,0]=4 4114 B9R1.35 Cn1ccc(C(=O)O)c1 Amb10603441 [0,1,0,1,0,0|1,0,0]=3 4115 B9R1.35 Cn1ccc(C(=O)O)n1 Amb33544330 [0,1,0,1,0,0|1,0,0]=3 4116 B9R1.35 Cn1ccc(C(N)=O)c1 Amb18243390 [0,1,0,1,0,0|2,0,0]=4 4117 B9R1.35 Cn1ccc(C(N)=O)n1 Amb6572626 [0,1,0,1,0,0|2,0,0]=4 4118 B9R1.35 Cn1ccc(S(=O)O)c1 Amb18222529 [0,1,0,1,0,0|2,0,0]=4 4119 B9R1.35 Cn1cnc(C(=O)O)c1 Amb33545050 [0,1,0,1,0,0|2,0,0]=4 4120 B9R1.35 Cn1cnc(C(=O)O)n1 Amb33545103 [0,1,0,1,0,0|2,0,0]=4 4121 B9R1.35 Cn1ncc(C(=O)O)n1 Amb18222482 [0,1,0,1,0,0|2,0,0]=4 4122 B9R1.35 N=C(N)c1ccc(Br)o1 Amb8834130 [0,1,0,1,0,0|2,0,0]=4 4123 B9R1.35 N=C(N)c1ccc(Cl)o1 Amb28075240 [0,1,0,1,0,0|2,0,0]=4 4124 B9R1.35 N=C(N)c1ccc(I)o1 Amb17601640 [0,1,0,1,0,0|2,0,0]=4 4125 B9R1.35 NC(=O)C1=CNC(=O)C1 Amb27638843 [0,1,0,1,0,0|2,0,0]=4 4126 B9R1.35 NC(=O)c1cc(Br)co1 Amb22044254 [0,1,0,1,0,0|2,0,0]=4 4127 B9R1.35 NC(=O)c1cc(Br)cs1 Amb8089669 [0,1,0,1,0,0|2,0,0]=4 4128 B9R1.35 NC(=O)c1cc(N)cs1 Amb26967551 [0,1,0,1,0,0|2,0,0]=4 4129 B9R1.35 NC(=O)c1cc(O)cs1 Amb26512603 [0,1,0,1,0,0|2,0,0]=4 4130 B9R1.35 NC(=O)c1ccc(Br)o1 Amb8335806 [0,1,0,1,0,0|2,0,0]=4 4131 B9R1.35 NC(=O)c1ccc(Br)s1 Amb6491031 [0,1,0,1,0,0|2,0,0]=4 4132 B9R1.35 NC(=O)c1ccc(Cl)o1 Amb27203205 [0,1,0,1,0,0|2,0,0]=4 4133 B9R1.35 NC(=O)c1ccc(Cl)s1 Amb1948780 [0,1,0,1,0,0|2,0,0]=4 4134 B9R1.35 NC(=O)c1ccc(F)s1 Amb23449713 [0,1,0,1,0,0|2,0,0]=4 4135 B9R1.35 NC(=O)c1ccc(I)o1 Amb780127 [0,1,0,1,0,0|2,0,0]=4 4136 B9R1.35 NC(=O)c1ccc(I)s1 Amb27792049 [0,1,0,1,0,0|2,0,0]=4 4137 B9R1.35 NC(=O)c1ccc(N)s1 Amb18831646 [0,1,0,1,0,0|2,0,0]=4 4138 B9R1.35 NC(=S)c1ccc(Br)o1 Amb1117160 [0,1,0,1,0,0|2,0,0]=4 4139 B9R1.35 NC(=S)c1ccc(Cl)o1 Amb33259040 [0,1,0,1,0,0|2,0,0]=4 4140 B9R1.35 NC1=CC=C([N+](=O)[O-])C1 Amb26865186 [0,1,0,1,0,0|1,0,1]=4 4141 B9R1.35 NC1C=C(C(=O)O)CC1 Amb18642496 [0,1,0,1,0,0|0,0,2]=4 4142 B9R1.35 NC1C=CC(C(=O)O)C1 Amb20622377 [0,1,0,1,0,0|0,0,2]=4 4143 B9R1.35 NC1C=CC(C(=O)O)C1 Amb20623555 [0,1,0,1,0,0|0,0,2]=4 4144 B9R1.35 NC1CC=C(C(=O)O)C1 Amb18642495 [0,1,0,1,0,0|0,0,2]=4 4145 B9R1.35 NC1CC=C(C(=O)O)C1 Amb32667606 [0,1,0,1,0,0|0,0,2]=4 4146 B9R1.35 NN1C=C(C(=O)O)CS1 Amb24565962 [0,1,0,1,0,0|2,0,0]=4 4147 B9R1.35 N[C@@H]1C=C[C@H](C(=O)O)C1 Amb8516355 [0,1,0,1,0,0|0,0,2]=4 4148 B9R1.35 N[C@@H]1CC=C(C(=O)O)C1 Amb25824589 [0,1,0,1,0,0|0,0,2]=4 4149 B9R1.35 N[C@H]1C=C[C@@H](C(=O)O)C1 Amb16232675 [0,1,0,1,0,0|0,0,2]=4 4150 B9R1.35 N[C@H]1C=C[C@@H](C(=O)O)C1 Amb19515761 [0,1,0,1,0,0|0,0,2]=4 4151 B9R1.35 N[C@H]1CC=C(C(=O)O)C1 Amb25143919 [0,1,0,1,0,0|0,0,2]=4 4152 B9R1.35 Nc1cc(C(=O)O)co1 Amb27771371 [0,1,0,1,0,0|1,0,1]=4 4153 B9R1.35 Nc1cc(C(=O)O)cs1 Amb18280928 [0,1,0,1,0,0|1,0,1]=4 4154 B9R1.35 Nc1cc(C(=O)O)cs1 Amb32658032 [0,1,0,1,0,0|1,0,1]=4 4155 B9R1.35 Nc1cc(C(=O)O)no1 Amb18832652 [0,1,0,1,0,0|2,0,0]=4 4156 B9R1.35 Nc1cc(C(=O)O)ns1 Amb27398352 [0,1,0,1,0,0|2,0,0]=4 4157 B9R1.35 Nc1cc(C(=O)O)on1 Amb18832657 [0,1,0,1,0,0|2,0,0]=4 4158 B9R1.35 Nc1ccc(C(=O)O)o1 Amb18946756 [0,1,0,1,0,0|1,0,0]=3 4159 B9R1.35 Nc1ccc(C(=O)O)s1 Amb18831593 [0,1,0,1,0,0|1,0,0]=3 4160 B9R1.35 Nc1cnc(C(=O)O)s1 Amb22235290 [0,1,0,1,0,0|2,0,0]=4 4161 B9R1.35 Nc1cnc(C(=O)O)s1 Amb22899439 [0,1,0,1,0,0|2,0,0]=4 4162 B9R1.35 Nc1csc(C(=O)O)c1 Amb10602581 [0,1,0,1,0,0|1,0,0]=3 4163 B9R1.35 Nc1csc(C(=O)O)c1 Amb18124637 [0,1,0,1,0,0|1,0,0]=3 4164 B9R1.35 Nc1csc(C(=O)O)n1 Amb25978066 [0,1,0,1,0,0|2,0,0]=4 4165 B9R1.35 Nc1nc(C(=O)O)co1 Amb10879778 [0,1,0,1,0,0|2,0,0]=4 4166 B9R1.35 Nc1nc(C(=O)O)cs1 Amb10067797 [0,1,0,1,0,0|2,0,0]=4 4167 B9R1.35 Nc1nc(C(=O)O)cs1 Amb33528356 [0,1,0,1,0,0|2,0,0]=4 4168 B9R1.35 Nc1ncc(C(=O)O)o1 Amb19959202 [0,1,0,1,0,0|2,0,0]=4 4169 B9R1.35 Nc1ncc(C(=O)O)s1 Amb7172637 [0,1,0,1,0,0|2,0,0]=4 4170 B9R1.35 Nn1ccc(C(=O)O)n1 Amb18642484 [0,1,0,1,0,0|2,0,0]=4 4171 B9R1.35 O=C(Br)c1ccc(Br)o1 Amb17939056 [0,1,0,1,0,0|2,0,0]=4 4172 B9R1.35 O=C(Br)c1ccc(Br)s1 Amb27438585 [0,1,0,1,0,0|2,0,0]=4 4173 B9R1.35 O=C(Br)c1ccc(Cl)s1 Amb28286939 [0,1,0,1,0,0|2,0,0]=4 4174 B9R1.35 O=C(Cl)c1cc(Br)cs1 Amb2723433 [0,1,0,1,0,0|2,0,0]=4 4175 B9R1.35 O=C(Cl)c1cc(Cl)cs1 Amb28254474 [0,1,0,1,0,0|2,0,0]=4 4176 B9R1.35 O=C(Cl)c1ccc(Br)o1 Amb2685261 [0,1,0,1,0,0|2,0,0]=4 4177 B9R1.35 O=C(Cl)c1ccc(Br)s1 Amb6743401 [0,1,0,1,0,0|2,0,0]=4 4178 B9R1.35 O=C(Cl)c1ccc(Cl)o1 Amb27953619 [0,1,0,1,0,0|2,0,0]=4 4179 B9R1.35 O=C(Cl)c1ccc(Cl)s1 Amb7173092 [0,1,0,1,0,0|2,0,0]=4 4180 B9R1.35 O=C(Cl)c1ccc(F)o1 Amb28196417 [0,1,0,1,0,0|2,0,0]=4 4181 B9R1.35 O=C(Cl)c1ccc(F)s1 Amb23449712 [0,1,0,1,0,0|2,0,0]=4 4182 B9R1.35 O=C(Cl)c1ccc(I)o1 Amb27438212 [0,1,0,1,0,0|2,0,0]=4 4183 B9R1.35 O=C(F)c1ccc(Br)o1 Amb28254044 [0,1,0,1,0,0|2,0,0]=4 4184 B9R1.35 O=C(O)C1=CC(Br)CC1 Amb27776760 [0,1,0,1,0,0|0,0,2]=4 4185 B9R1.35 O=C(O)C1=CC(O)CC1 Amb27619747 [0,1,0,1,0,0|0,0,2]=4 4186 B9R1.35 O=C(O)C1=CNC(=S)N1 Amb22586764 [0,1,0,1,0,0|2,0,0]=4 4187 B9R1.35 O=C(O)C1=C[C@@H](O)CC1 Amb27412374 [0,1,0,1,0,0|0,0,2]=4 4188 B9R1.35 O=C(O)c1cc(Br)co1 Amb18129829 [0,1,0,1,0,0|1,0,0]=3 4189 B9R1.35 O=C(O)c1cc(Br)cs1 Amb1935172 [0,1,0,1,0,0|1,0,0]=3 4190 B9R1.35 O=C(O)c1cc(Br)no1 Amb10603676 [0,1,0,1,0,0|2,0,0]=4 4191 B9R1.35 O=C(O)c1cc(Br)ns1 Amb28204289 [0,1,0,1,0,0|2,0,0]=4 4192 B9R1.35 O=C(O)c1cc(Br)on1 Amb28388186 [0,1,0,1,0,0|2,0,0]=4 4193 B9R1.35 O=C(O)c1cc(Cl)co1 Amb18644297 [0,1,0,1,0,0|1,0,0]=3 4194 B9R1.35 O=C(O)c1cc(Cl)cs1 Amb16185757 [0,1,0,1,0,0|1,0,0]=3 4195 B9R1.35 O=C(O)c1cc(Cl)no1 Amb15701317 [0,1,0,1,0,0|2,0,0]=4 4196 B9R1.35 O=C(O)c1cc(Cl)ns1 Amb18189241 [0,1,0,1,0,0|2,0,0]=4 4197 B9R1.35 O=C(O)c1cc(Cl)on1 Amb26438976 [0,1,0,1,0,0|2,0,0]=4 4198 B9R1.35 O=C(O)c1cc(F)co1 Amb28141604 [0,1,0,1,0,0|1,0,0]=3 4199 B9R1.35 O=C(O)c1cc(F)cs1 Amb10602731 [0,1,0,1,0,0|1,0,0]=3 4200 B9R1.35 O=C(O)c1cc(I)on1 Amb24578190 [0,1,0,1,0,0|2,0,0]=4 4201 B9R1.35 O=C(O)c1cc(O)co1 Amb27494194 [0,1,0,1,0,0|1,0,0]=3 4202 B9R1.35 O=C(O)c1cc(O)cs1 Amb5720296 [0,1,0,1,0,0|1,0,0]=3 4203 B9R1.35 O=C(O)c1cc(O)no1 Amb9173684 [0,1,0,1,0,0|2,0,0]=4 4204 B9R1.35 O=C(O)c1cc(O)ns1 Amb24579600 [0,1,0,1,0,0|2,0,0]=4 4205 B9R1.35 O=C(O)c1ccc(Br)o1 Amb6335213 [0,1,0,1,0,0|1,0,0]=3 4206 B9R1.35 O=C(O)c1ccc(Br)s1 Amb6341887 [0,1,0,1,0,0|1,0,0]=3 4207 B9R1.35 O=C(O)c1ccc(Cl)o1 Amb1107530 [0,1,0,1,0,0|1,0,0]=3 4208 B9R1.35 O=C(O)c1ccc(Cl)s1 Amb1152956 [0,1,0,1,0,0|1,0,0]=3 4209 B9R1.35 O=C(O)c1ccc(F)o1 Amb23538033 [0,1,0,1,0,0|1,0,0]=3 4210 B9R1.35 O=C(O)c1ccc(F)s1 Amb33542618 [0,1,0,1,0,0|1,0,0]=3 4211 B9R1.35 O=C(O)c1ccc(I)o1 Amb2459665 [0,1,0,1,0,0|1,0,0]=3 4212 B9R1.35 O=C(O)c1ccc(I)s1 Amb22002319 [0,1,0,1,0,0|1,0,0]=3 4213 B9R1.35 O=C(O)c1cnc(Br)o1 Amb22432570 [0,1,0,1,0,0|2,0,0]=4 4214 B9R1.35 O=C(O)c1cnc(Br)s1 Amb6600495 [0,1,0,1,0,0|2,0,0]=4 4215 B9R1.35 O=C(O)c1cnc(Cl)o1 Amb26652765 [0,1,0,1,0,0|2,0,0]=4 4216 B9R1.35 O=C(O)c1cnc(Cl)s1 Amb2432444 [0,1,0,1,0,0|2,0,0]=4 4217 B9R1.35 O=C(O)c1cnc(F)s1 Amb24329329 [0,1,0,1,0,0|2,0,0]=4 4218 B9R1.35 O=C(O)c1cnc(O)o1 Amb25178101 [0,1,0,1,0,0|2,0,0]=4 4219 B9R1.35 O=C(O)c1cnc(S)s1 Amb27401807 [0,1,0,1,0,0|2,0,0]=4 4220 B9R1.35 O=C(O)c1coc(Br)c1 Amb1111481 [0,1,0,1,0,0|1,0,1]=4 4221 B9R1.35 O=C(O)c1coc(Br)n1 Amb21857043 [0,1,0,1,0,0|2,0,0]=4 4222 B9R1.35 O=C(O)c1coc(Cl)c1 Amb22284566 [0,1,0,1,0,0|1,0,1]=4 4223 B9R1.35 O=C(O)c1coc(Cl)n1 Amb16232458 [0,1,0,1,0,0|2,0,0]=4 4224 B9R1.35 O=C(O)c1coc(F)c1 Amb27847282 [0,1,0,1,0,0|1,0,1]=4 4225 B9R1.35 O=C(O)c1coc(F)n1 Amb22756381 [0,1,0,1,0,0|2,0,0]=4 4226 B9R1.35 O=C(O)c1coc(I)c1 Amb13952880 [0,1,0,1,0,0|1,0,1]=4 4227 B9R1.35 O=C(O)c1coc(I)n1 Amb22000930 [0,1,0,1,0,0|2,0,0]=4 4228 B9R1.35 O=C(O)c1coc(O)n1 Amb24481698 [0,1,0,1,0,0|2,0,0]=4 4229 B9R1.35 O=C(O)c1coc(S)n1 Amb27212072 [0,1,0,1,0,0|2,0,0]=4 4230 B9R1.35 O=C(O)c1csc(Br)c1 Amb2372549 [0,1,0,1,0,0|1,0,1]=4 4231 B9R1.35 O=C(O)c1csc(Br)n1 Amb2455706 [0,1,0,1,0,0|2,0,0]=4 4232 B9R1.35 O=C(O)c1csc(Br)n1 Amb32665794 [0,1,0,1,0,0|2,0,0]=4 4233 B9R1.35 O=C(O)c1csc(Cl)c1 Amb2611689 [0,1,0,1,0,0|1,0,1]=4 4234 B9R1.35 O=C(O)c1csc(Cl)n1 Amb8630269 [0,1,0,1,0,0|2,0,0]=4 4235 B9R1.35 O=C(O)c1csc(F)c1 Amb2611691 [0,1,0,1,0,0|1,0,1]=4 4236 B9R1.35 O=C(O)c1csc(F)n1 Amb25147077 [0,1,0,1,0,0|2,0,0]=4 4237 B9R1.35 O=C(O)c1csc(I)c1 Amb13952879 [0,1,0,1,0,0|1,0,1]=4 4238 B9R1.35 O=C(O)c1csc(I)n1 Amb8630396 [0,1,0,1,0,0|2,0,0]=4 4239 B9R1.35 O=C(O)c1csc(O)c1 Amb26638056 [0,1,0,1,0,0|1,0,1]=4 4240 B9R1.35 O=C(O)c1csc(O)n1 Amb27142660 [0,1,0,1,0,0|2,0,0]=4 4241 B9R1.35 O=C(O)c1csc(S)n1 Amb24480164 [0,1,0,1,0,0|2,0,0]=4 4242 B9R1.35 O=C(O)c1nc(Br)co1 Amb22754333 [0,1,0,1,0,0|2,0,0]=4 4243 B9R1.35 O=C(O)c1nc(Br)cs1 Amb13883510 [0,1,0,1,0,0|2,0,0]=4 4244 B9R1.35 O=C(O)c1nc(Cl)cs1 Amb26941525 [0,1,0,1,0,0|2,0,0]=4 4245 B9R1.35 O=C(O)c1nc(F)cs1 Amb27629831 [0,1,0,1,0,0|2,0,0]=4 4246 B9R1.35 O=C(O)c1nc(O)cs1 Amb35710163 [0,1,0,1,0,0|2,0,0]=4 4247 B9R1.35 O=C(O)c1ncc(Br)s1 Amb10606388 [0,1,0,1,0,0|2,0,0]=4 4248 B9R1.35 O=C(O)c1ncc(Cl)s1 Amb33543981 [0,1,0,1,0,0|2,0,0]=4 4249 B9R1.35 O=C(O)c1ncc(I)s1 Amb27866039 [0,1,0,1,0,0|2,0,0]=4 4250 B9R1.35 O=C1C=C(C(=O)O)CC1 Amb13883804 [0,1,0,1,0,0|0,0,1]=3 4251 B9R1.35 O=C1C=C(C(=O)O)NN1 Amb18944048 [0,1,0,1,0,0|2,0,0]=4 4252 B9R1.35 O=C1C=C(C(=O)O)ON1 Amb19889163 [0,1,0,1,0,0|2,0,0]=4 4253 B9R1.35 O=C1C=CC(=C(Cl)Cl)O1 Amb27237262 [0,1,0,1,0,0|1,0,0]=3 4254 B9R1.35 O=C1C=CC(C(=O)O)C1 Amb26002884 [0,1,0,1,0,0|0,0,1]=3 4255 B9R1.35 O=C1C=CC(C(=O)O)N1 Amb27775192 [0,1,0,1,0,0|1,0,1]=4 4256 B9R1.35 O=C1CC(C(=O)O)=CN1 Amb18832707 [0,1,0,1,0,0|1,0,0]=3 4257 B9R1.35 O=C1CC(C(=O)O)=CO1 Amb3499387 [0,1,0,1,0,0|1,0,0]=3 4258 B9R1.35 O=C1CC(C(=O)O)=NN1 Amb18278720 [0,1,0,1,0,0|2,0,0]=4 4259 B9R1.35 O=C1NC=C(C(=O)O)N1 Amb18278248 [0,1,0,1,0,0|2,0,0]=4 4260 B9R1.35 O=C1NC=C(C(=O)O)S1 Amb33531086 [0,1,0,1,0,0|2,0,0]=4 4261 B9R1.35 O=S(O)c1cc(Br)cs1 Amb18867802 [0,1,0,1,0,0|2,0,0]=4 4262 B9R1.35 O=S(O)c1ccc(Br)s1 Amb18571234 [0,1,0,1,0,0|2,0,0]=4 4263 B9R1.35 O=S(O)c1ccc(Cl)s1 Amb18560136 [0,1,0,1,0,0|2,0,0]=4 4264 B9R1.35 OC(=S)c1ccc(Br)o1 Amb27186020 [0,1,0,1,0,0|1,1,0]=4 4265 B9R1.35 [NH3+]c1nc(C(=O)O)cs1 Amb2694742 [0,1,0,1,0,0|2,0,0]=4 4266 B9R1.69 CC1=C(Br)C=CC(=N)N1 Amb20635674 [0,1,0,1,0,0|2,0,0]=4 4267 B9R1.69 CC1=C(Br)C=CC(=O)N1 Amb18040573 [0,1,0,1,0,0|1,0,0]=3 4268 B9R1.69 CC1=C(Br)C=NC(=O)N1 Amb22015148 [0,1,0,1,0,0|2,0,0]=4 4269 B9R1.69 CC1=C(C)NC(=O)C=C1 Amb19516765 [0,1,0,1,0,0|1,0,0]=3 4270 B9R1.69 CC1=C(C)NC(=S)C=C1 Amb27179847 [0,1,0,1,0,0|1,1,0]=4 4271 B9R1.69 CC1=C(F)C=CC(=O)N1 Amb22490584 [0,1,0,1,0,0|1,0,0]=3 4272 B9R1.69 CC1=C(I)C=CC(=O)N1 Amb22727942 [0,1,0,1,0,0|1,0,0]=3 4273 B9R1.69 CC1=C(N)C=CC(=O)N1 Amb22728633 [0,1,0,1,0,0|1,0,0]=3 4274 B9R1.69 CC1=C(N)NC(=O)C=C1 Amb22496008 [0,1,0,1,0,0|2,0,0]=4 4275 B9R1.69 CC1=C(N)NC(=O)C=C1 Amb33734853 [0,1,0,1,0,0|2,0,0]=4 4276 B9R1.69 CC1=CC(=N)C=CC1=O Amb28386642 [0,1,0,1,0,0|2,0,0]=4 4277 B9R1.69 CC1=CC(=O)C(=O)C=C1 Amb17593242 [0,1,0,1,0,0|1,0,0]=3 4278 B9R1.69 CC1=CC(=O)C(C)=CO1 Amb27256389 [0,1,0,1,0,0|2,0,0]=4 4279 B9R1.69 CC1=CC(=O)C(N)=CN1 Amb26080169 [0,1,0,1,0,0|2,0,0]=4 4280 B9R1.69 CC1=CC(=O)C(O)=CN1 Amb22552444 [0,1,0,1,0,0|2,0,0]=4 4281 B9R1.69 CC1=CC(=O)C(O)=CO1 Amb19130353 [0,1,0,1,0,0|2,0,0]=4 4282 B9R1.69 CC1=CC(=O)C=CC1=O Amb6386415 [0,1,0,1,0,0|1,0,0]=3 4283 B9R1.69 CC1=CC(=O)C=CC1O Amb27750285 [0,1,0,1,0,0|1,0,1]=4 4284 B9R1.69 CC1=CC(=O)C=CN1C Amb22522501 [0,1,0,1,0,0|2,0,0]=4 4285 B9R1.69 CC1=CC(=O)NC=C1Br Amb18040562 [0,1,0,1,0,0|2,0,0]=4 4286 B9R1.69 CC1=CC(=O)NC=C1Br Amb33266063 [0,1,0,1,0,0|2,0,0]=4 4287 B9R1.69 CC1=CC(=O)NC=C1F Amb24401662 [0,1,0,1,0,0|2,0,0]=4 4288 B9R1.69 CC1=CC(=O)NC=C1N Amb22059188 [0,1,0,1,0,0|2,0,0]=4 4289 B9R1.69 CC1=CC(O)C=CC1=O Amb27954124 [0,1,0,1,0,0|1,0,1]=4 4290 B9R1.69 CC1=CC=C(Br)NC1=O Amb27413895 [0,1,0,1,0,0|2,0,0]=4 4291 B9R1.69 CC1=CC=C(Cl)C(=O)N1 Amb23448406 [0,1,0,1,0,0|1,0,0]=3 4292 B9R1.69 CC1=CC=C(Cl)NC1=O Amb22234254 [0,1,0,1,0,0|2,0,0]=4 4293 B9R1.69 CC1=CC=C(F)C(=O)N1 Amb26321131 [0,1,0,1,0,0|1,0,0]=3 4294 B9R1.69 CC1=CC=C(N)C(=O)N1 Amb18036956 [0,1,0,1,0,0|1,0,0]=3 4295 B9R1.69 CC1=CC=C(N)C(=O)O1 Amb28399466 [0,1,0,1,0,0|0,0,0]=2 4296 B9R1.69 CC1=CC=C(O)C(=O)N1 Amb24725980 [0,1,0,1,0,0|1,0,0]=3 4297 B9R1.69 CC1=CCC(C)C(=O)O1 Amb6600560 [0,1,0,1,0,0|0,0,2]=4 4298 B9R1.69 CC1=CN=C(N)C(=O)N1 Amb22498349 [0,1,0,1,0,0|2,0,0]=4 4299 B9R1.69 CC1=CNC(=O)OC1=O Amb28208149 [0,1,0,1,0,0|2,0,0]=4 4300 B9R1.69 CC1=CNC(C)=NC1=O Amb22495380 [0,1,0,1,0,0|2,0,0]=4 4301 B9R1.69 CC1=NC(=O)C(N)=CN1 Amb20242750 [0,1,0,1,0,0|2,0,0]=4 4302 B9R1.69 CC1=NC=C(F)C(=O)N1 Amb19958016 [0,1,0,1,0,0|2,0,0]=4 4303 B9R1.69 CC1=NC=C(I)C(=O)N1 Amb22275925 [0,1,0,1,0,0|2,0,0]=4 4304 B9R1.69 CC1CC(=O)C=CC1=O Amb27750328 [0,1,0,1,0,0|1,0,1]=4 4305 B9R1.69 CC1OC(=O)C=CC1=O Amb27948593 [0,1,0,1,0,0|0,0,1]=3 4306 B9R1.69 CN1C=C(O)C=CC1=O Amb22371453 [0,1,0,1,0,0|2,0,0]=4 4307 B9R1.69 CN1C=CC(=O)C(O)=C1 Amb21520366 [0,1,0,1,0,0|2,0,0]=4 4308 B9R1.69 CN1N=C(O)C=CC1=O Amb19650751 [0,1,0,1,0,0|2,0,0]=4 4309 B9R1.69 C[C@H]1OC(=O)C=CC1=O Amb28351021 [0,1,0,1,0,0|0,0,1]=3 4310 B9R1.69 Cc1[nH+]c(N)ccc1Br Amb33513207 [0,1,0,1,0,0|2,0,0]=4 4311 B9R1.69 Cc1cc(Br)ccc1Br Amb2691966 [0,1,0,1,0,0|2,0,0]=4 4312 B9R1.69 Cc1cc(Br)ccc1Cl Amb2685047 [0,1,0,1,0,0|2,0,0]=4 4313 B9R1.69 Cc1cc(Br)ccc1F Amb2685256 [0,1,0,1,0,0|2,0,0]=4 4314 B9R1.69 Cc1cc(Br)ccc1I Amb2685281 [0,1,0,1,0,0|2,0,0]=4 4315 B9R1.69 Cc1cc(Br)ccc1N Amb6364731 [0,1,0,1,0,0|2,0,0]=4 4316 B9R1.69 Cc1cc(Br)ccc1N Amb6366060 [0,1,0,1,0,0|2,0,0]=4 4317 B9R1.69 Cc1cc(Br)ccc1O Amb6344704 [0,1,0,1,0,0|2,0,0]=4 4318 B9R1.69 Cc1cc(Br)ccc1S Amb19943922 [0,1,0,1,0,0|2,0,0]=4 4319 B9R1.69 Cc1cc(Cl)ccc1Br Amb2685043 [0,1,0,1,0,0|2,0,0]=4 4320 B9R1.69 Cc1cc(Cl)ccc1Cl Amb4037269 [0,1,0,1,0,0|2,0,0]=4 4321 B9R1.69 Cc1cc(Cl)ccc1F Amb2686092 [0,1,0,1,0,0|2,0,0]=4 4322 B9R1.69 Cc1cc(Cl)ccc1I Amb2686142 [0,1,0,1,0,0|2,0,0]=4 4323 B9R1.69 Cc1cc(Cl)ccc1N Amb22277147 [0,1,0,1,0,0|2,0,0]=4 4324 B9R1.69 Cc1cc(Cl)ccc1N Amb2694399 [0,1,0,1,0,0|2,0,0]=4 4325 B9R1.69 Cc1cc(Cl)ccc1O Amb3939553 [0,1,0,1,0,0|2,0,0]=4 4326 B9R1.69 Cc1cc(Cl)ccc1S Amb2686260 [0,1,0,1,0,0|2,0,0]=4 4327 B9R1.69 Cc1cc(F)ccc1Br Amb2685251 [0,1,0,1,0,0|2,0,0]=4 4328 B9R1.69 Cc1cc(F)ccc1Cl Amb2686089 [0,1,0,1,0,0|2,0,0]=4 4329 B9R1.69 Cc1cc(F)ccc1F Amb2687284 [0,1,0,1,0,0|2,0,0]=4 4330 B9R1.69 Cc1cc(F)ccc1I Amb2688136 [0,1,0,1,0,0|2,0,0]=4 4331 B9R1.69 Cc1cc(F)ccc1N Amb2688171 [0,1,0,1,0,0|2,0,0]=4 4332 B9R1.69 Cc1cc(F)ccc1O Amb2688208 [0,1,0,1,0,0|2,0,0]=4 4333 B9R1.69 Cc1cc(F)ccc1S Amb2688241 [0,1,0,1,0,0|2,0,0]=4 4334 B9R1.69 Cc1cc(I)ccc1Br Amb2685279 [0,1,0,1,0,0|2,0,0]=4 4335 B9R1.69 Cc1cc(I)ccc1Cl Amb10069330 [0,1,0,1,0,0|2,0,0]=4 4336 B9R1.69 Cc1cc(I)ccc1F Amb2688133 [0,1,0,1,0,0|2,0,0]=4 4337 B9R1.69 Cc1cc(I)ccc1N Amb1152414 [0,1,0,1,0,0|2,0,0]=4 4338 B9R1.69 Cc1cc(I)ccc1O Amb3940781 [0,1,0,1,0,0|2,0,0]=4 4339 B9R1.69 Cc1cc(I)ccc1S Amb26039439 [0,1,0,1,0,0|2,0,0]=4 4340 B9R1.69 Cc1cc(N)ccc1Br Amb2685311 [0,1,0,1,0,0|2,0,0]=4 4341 B9R1.69 Cc1cc(N)ccc1Br Amb6366085 [0,1,0,1,0,0|2,0,0]=4 4342 B9R1.69 Cc1cc(N)ccc1Cl Amb3939778 [0,1,0,1,0,0|2,0,0]=4 4343 B9R1.69 Cc1cc(N)ccc1F Amb2688172 [0,1,0,1,0,0|2,0,0]=4 4344 B9R1.69 Cc1cc(N)ccc1I Amb8516284 [0,1,0,1,0,0|2,0,0]=4 4345 B9R1.69 Cc1cc(N)ccc1N Amb2698252 [0,1,0,1,0,0|2,0,0]=4 4346 B9R1.69 Cc1cc(N)ccc1N Amb8385079 [0,1,0,1,0,0|2,0,0]=4 4347 B9R1.69 Cc1cc(N)ccc1O Amb8854975 [0,1,0,1,0,0|2,0,0]=4 4348 B9R1.69 Cc1cc(N)ccc1S Amb8929748 [0,1,0,1,0,0|2,0,0]=4 4349 B9R1.69 Cc1cc(O)c(Br)cn1 Amb22751361 [0,1,0,1,0,0|2,0,0]=4 4350 B9R1.69 Cc1cc(O)c(Cl)cn1 Amb27244893 [0,1,0,1,0,0|2,0,0]=4 4351 B9R1.69 Cc1cc(O)c(I)cn1 Amb25198726 [0,1,0,1,0,0|2,0,0]=4 4352 B9R1.69 Cc1cc(O)cc[n+]1[O-] Amb27872730 [0,1,0,1,0,0|2,0,0]=4 4353 B9R1.69 Cc1cc(O)ccc1Br Amb2554775 [0,1,0,1,0,0|1,0,0]=3 4354 B9R1.69 Cc1cc(O)ccc1Cl Amb3939554 [0,1,0,1,0,0|1,0,0]=3 4355 B9R1.69 Cc1cc(O)ccc1F Amb2688209 [0,1,0,1,0,0|1,0,0]=3 4356 B9R1.69 Cc1cc(O)ccc1I Amb8388185 [0,1,0,1,0,0|1,0,0]=3 4357 B9R1.69 Cc1cc(O)ccc1N Amb4037027 [0,1,0,1,0,0|1,0,0]=3 4358 B9R1.69 Cc1cc(O)ccc1O Amb4037056 [0,1,0,1,0,0|1,0,0]=3 4359 B9R1.69 Cc1cc(O)cnc1Br Amb15691043 [0,1,0,1,0,0|2,0,0]=4 4360 B9R1.69 Cc1cc(O)cnc1C Amb23450142 [0,1,0,1,0,0|2,0,0]=4 4361 B9R1.69 Cc1cc(O)cnc1Cl Amb10602071 [0,1,0,1,0,0|2,0,0]=4 4362 B9R1.69 Cc1cc(O)cnc1F Amb19894567 [0,1,0,1,0,0|2,0,0]=4 4363 B9R1.69 Cc1cc(O)cnc1I Amb23403511 [0,1,0,1,0,0|2,0,0]=4 4364 B9R1.69 Cc1cc(O)cnc1N Amb22886509 [0,1,0,1,0,0|2,0,0]=4 4365 B9R1.69 Cc1cc(O)cnc1O Amb23442962 [0,1,0,1,0,0|2,0,0]=4 4366 B9R1.69 Cc1cc(O)ncc1Br Amb2612460 [0,1,0,1,0,0|2,0,0]=4 4367 B9R1.69 Cc1cc(O)ncc1Cl Amb22235853 [0,1,0,1,0,0|2,0,0]=4 4368 B9R1.69 Cc1cc(O)ncc1I Amb22500946 [0,1,0,1,0,0|2,0,0]=4 4369 B9R1.69 Cc1cc(O)ncc1N Amb20242681 [0,1,0,1,0,0|2,0,0]=4 4370 B9R1.69 Cc1cc(O)ncc1O Amb20247804 [0,1,0,1,0,0|2,0,0]=4 4371 B9R1.69 Cc1cc(S)ccc1Br Amb19944179 [0,1,0,1,0,0|1,1,0]=4 4372 B9R1.69 Cc1cc(S)ccc1Cl Amb2686261 [0,1,0,1,0,0|1,1,0]=4 4373 B9R1.69 Cc1cc(S)ccc1F Amb2688242 [0,1,0,1,0,0|1,1,0]=4 4374 B9R1.69 Cc1cc(S)ccc1I Amb27838634 [0,1,0,1,0,0|1,1,0]=4 4375 B9R1.69 Cc1cc(S)ccc1N Amb9294842 [0,1,0,1,0,0|1,1,0]=4 4376 B9R1.69 Cc1cc(S)ccc1O Amb8393835 [0,1,0,1,0,0|1,1,0]=4 4377 B9R1.69 Cc1cc(S)ccc1S Amb25862512 [0,1,0,1,0,0|1,1,0]=4 4378 B9R1.69 Cc1cc([NH3+])ccc1Cl Amb4300537 [0,1,0,1,0,0|2,0,0]=4 4379 B9R1.69 Cc1ccc(Br)c(Br)c1 Amb6365597 [0,1,0,1,0,0|2,0,0]=4 4380 B9R1.69 Cc1ccc(Br)c(Br)n1 Amb8393028 [0,1,0,1,0,0|2,0,0]=4 4381 B9R1.69 Cc1ccc(Br)c(C)c1 Amb6365774 [0,1,0,1,0,0|2,0,0]=4 4382 B9R1.69 Cc1ccc(Br)c(C)n1 Amb2609908 [0,1,0,1,0,0|2,0,0]=4 4383 B9R1.69 Cc1ccc(Br)c(Cl)c1 Amb2685046 [0,1,0,1,0,0|2,0,0]=4 4384 B9R1.69 Cc1ccc(Br)c(Cl)n1 Amb8392998 [0,1,0,1,0,0|2,0,0]=4 4385 B9R1.69 Cc1ccc(Br)c(F)c1 Amb2685255 [0,1,0,1,0,0|2,0,0]=4 4386 B9R1.69 Cc1ccc(Br)c(F)n1 Amb8393011 [0,1,0,1,0,0|2,0,0]=4 4387 B9R1.69 Cc1ccc(Br)c(I)c1 Amb19516048 [0,1,0,1,0,0|2,0,0]=4 4388 B9R1.69 Cc1ccc(Br)c(N)[nH+]1 Amb33513204 [0,1,0,1,0,0|2,0,0]=4 4389 B9R1.69 Cc1ccc(Br)c(N)c1 Amb2694664 [0,1,0,1,0,0|2,0,0]=4 4390 B9R1.69 Cc1ccc(Br)c(N)n1 Amb2720383 [0,1,0,1,0,0|2,0,0]=4 4391 B9R1.69 Cc1ccc(Br)c(O)c1 Amb33544134 [0,1,0,1,0,0|1,0,0]=3 4392 B9R1.69 Cc1ccc(Br)c(O)n1 Amb8386874 [0,1,0,1,0,0|1,0,0]=3 4393 B9R1.69 Cc1ccc(Br)c(S)c1 Amb19887966 [0,1,0,1,0,0|1,1,0]=4 4394 B9R1.69 Cc1ccc(Br)cc1C Amb2685558 [0,1,0,1,0,0|2,0,0]=4 4395 B9R1.69 Cc1ccc(Br)cc1O Amb6297716 [0,1,0,1,0,0|2,0,0]=4 4396 B9R1.69 Cc1ccc(Br)nc1C Amb10608509 [0,1,0,1,0,0|2,0,0]=4 4397 B9R1.69 Cc1ccc(C)c(Br)c1 Amb2685560 [0,1,0,1,0,0|2,0,0]=4 4398 B9R1.69 Cc1ccc(C)c(Br)n1 Amb27860225 [0,1,0,1,0,0|2,0,0]=4 4399 B9R1.69 Cc1ccc(C)c(C)c1 Amb2447270 [0,1,0,1,0,0|2,0,0]=4 4400 B9R1.69 Cc1ccc(C)c(C)n1 Amb2613007 [0,1,0,1,0,0|2,0,0]=4 4401 B9R1.69 Cc1ccc(C)c(Cl)c1 Amb10605719 [0,1,0,1,0,0|2,0,0]=4 4402 B9R1.69 Cc1ccc(C)c(Cl)n1 Amb23400893 [0,1,0,1,0,0|2,0,0]=4 4403 B9R1.69 Cc1ccc(C)c(F)c1 Amb10838610 [0,1,0,1,0,0|2,0,0]=4 4404 B9R1.69 Cc1ccc(C)c(F)n1 Amb2447586 [0,1,0,1,0,0|2,0,0]=4 4405 B9R1.69 Cc1ccc(C)c(I)c1 Amb2688905 [0,1,0,1,0,0|2,0,0]=4 4406 B9R1.69 Cc1ccc(C)c(N)c1 Amb2447313 [0,1,0,1,0,0|2,0,0]=4 4407 B9R1.69 Cc1ccc(C)c(N)n1 Amb2694615 [0,1,0,1,0,0|2,0,0]=4 4408 B9R1.69 Cc1ccc(C)c(O)c1 Amb3939544 [0,1,0,1,0,0|1,0,0]=3 4409 B9R1.69 Cc1ccc(C)c(O)n1 Amb25823120 [0,1,0,1,0,0|1,0,0]=3 4410 B9R1.69 Cc1ccc(C)c(S)c1 Amb2687632 [0,1,0,1,0,0|1,1,0]=4 4411 B9R1.69 Cc1ccc(Cl)c(Br)c1 Amb2685045 [0,1,0,1,0,0|2,0,0]=4 4412 B9R1.69 Cc1ccc(Cl)c(Br)n1 Amb22494191 [0,1,0,1,0,0|2,0,0]=4 4413 B9R1.69 Cc1ccc(Cl)c(C)c1 Amb2686556 [0,1,0,1,0,0|2,0,0]=4 4414 B9R1.69 Cc1ccc(Cl)c(Cl)c1 Amb6365823 [0,1,0,1,0,0|2,0,0]=4 4415 B9R1.69 Cc1ccc(Cl)c(Cl)n1 Amb8396961 [0,1,0,1,0,0|2,0,0]=4 4416 B9R1.69 Cc1ccc(Cl)c(F)c1 Amb8396658 [0,1,0,1,0,0|2,0,0]=4 4417 B9R1.69 Cc1ccc(Cl)c(F)n1 Amb25975875 [0,1,0,1,0,0|2,0,0]=4 4418 B9R1.69 Cc1ccc(Cl)c(I)c1 Amb19892957 [0,1,0,1,0,0|2,0,0]=4 4419 B9R1.69 Cc1ccc(Cl)c(I)n1 Amb26023929 [0,1,0,1,0,0|2,0,0]=4 4420 B9R1.69 Cc1ccc(Cl)c(N)c1 Amb3939773 [0,1,0,1,0,0|2,0,0]=4 4421 B9R1.69 Cc1ccc(Cl)c(O)c1 Amb3939069 [0,1,0,1,0,0|1,0,0]=3 4422 B9R1.69 Cc1ccc(Cl)c(S)c1 Amb19892999 [0,1,0,1,0,0|1,1,0]=4 4423 B9R1.69 Cc1ccc(Cl)cc1C Amb24325247 [0,1,0,1,0,0|2,0,0]=4 4424 B9R1.69 Cc1ccc(Cl)cc1C Amb8513559 [0,1,0,1,0,0|2,0,0]=4 4425 B9R1.69 Cc1ccc(Cl)cc1O Amb2686224 [0,1,0,1,0,0|2,0,0]=4 4426 B9R1.69 Cc1ccc(Cl)nc1C Amb10608198 [0,1,0,1,0,0|2,0,0]=4 4427 B9R1.69 Cc1ccc(Cl)nc1O Amb22499561 [0,1,0,1,0,0|2,0,0]=4 4428 B9R1.69 Cc1ccc(F)c(Br)c1 Amb2685252 [0,1,0,1,0,0|2,0,0]=4 4429 B9R1.69 Cc1ccc(F)c(Br)n1 Amb8393009 [0,1,0,1,0,0|2,0,0]=4 4430 B9R1.69 Cc1ccc(F)c(C)c1 Amb10839035 [0,1,0,1,0,0|2,0,0]=4 4431 B9R1.69 Cc1ccc(F)c(C)n1 Amb26360270 [0,1,0,1,0,0|2,0,0]=4 4432 B9R1.69 Cc1ccc(F)c(Cl)c1 Amb2686091 [0,1,0,1,0,0|2,0,0]=4 4433 B9R1.69 Cc1ccc(F)c(Cl)n1 Amb8393020 [0,1,0,1,0,0|2,0,0]=4 4434 B9R1.69 Cc1ccc(F)c(F)c1 Amb8386177 [0,1,0,1,0,0|2,0,0]=4 4435 B9R1.69 Cc1ccc(F)c(F)n1 Amb22496382 [0,1,0,1,0,0|2,0,0]=4 4436 B9R1.69 Cc1ccc(F)c(I)c1 Amb2688135 [0,1,0,1,0,0|2,0,0]=4 4437 B9R1.69 Cc1ccc(F)c(I)n1 Amb27638679 [0,1,0,1,0,0|2,0,0]=4 4438 B9R1.69 Cc1ccc(F)c(N)c1 Amb2688168 [0,1,0,1,0,0|2,0,0]=4 4439 B9R1.69 Cc1ccc(F)c(N)n1 Amb22496379 [0,1,0,1,0,0|2,0,0]=4 4440 B9R1.69 Cc1ccc(F)c(O)c1 Amb2688207 [0,1,0,1,0,0|1,0,0]=3 4441 B9R1.69 Cc1ccc(F)c(S)c1 Amb19929387 [0,1,0,1,0,0|1,1,0]=4 4442 B9R1.69 Cc1ccc(F)cc1C Amb2688558 [0,1,0,1,0,0|2,0,0]=4 4443 B9R1.69 Cc1ccc(F)cc1O Amb2688210 [0,1,0,1,0,0|2,0,0]=4 4444 B9R1.69 Cc1ccc(F)nc1C Amb25064737 [0,1,0,1,0,0|2,0,0]=4 4445 B9R1.69 Cc1ccc(F)nc1O Amb28193010 [0,1,0,1,0,0|2,0,0]=4 4446 B9R1.69 Cc1ccc(I)c(Br)c1 Amb2685280 [0,1,0,1,0,0|2,0,0]=4 4447 B9R1.69 Cc1ccc(I)c(C)c1 Amb2688903 [0,1,0,1,0,0|2,0,0]=4 4448 B9R1.69 Cc1ccc(I)c(Cl)c1 Amb2686140 [0,1,0,1,0,0|2,0,0]=4 4449 B9R1.69 Cc1ccc(I)c(Cl)n1 Amb24753132 [0,1,0,1,0,0|2,0,0]=4 4450 B9R1.69 Cc1ccc(I)c(F)c1 Amb2684172 [0,1,0,1,0,0|2,0,0]=4 4451 B9R1.69 Cc1ccc(I)c(I)c1 Amb2692029 [0,1,0,1,0,0|2,0,0]=4 4452 B9R1.69 Cc1ccc(I)c(I)n1 Amb27750909 [0,1,0,1,0,0|2,0,0]=4 4453 B9R1.69 Cc1ccc(I)c(N)c1 Amb10070049 [0,1,0,1,0,0|2,0,0]=4 4454 B9R1.69 Cc1ccc(I)c(N)n1 Amb19958141 [0,1,0,1,0,0|2,0,0]=4 4455 B9R1.69 Cc1ccc(I)c(O)c1 Amb20623529 [0,1,0,1,0,0|1,0,0]=3 4456 B9R1.69 Cc1ccc(I)cc1C Amb2688901 [0,1,0,1,0,0|2,0,0]=4 4457 B9R1.69 Cc1ccc(I)cc1O Amb20623185 [0,1,0,1,0,0|2,0,0]=4 4458 B9R1.69 Cc1ccc(I)nc1O Amb28255892 [0,1,0,1,0,0|2,0,0]=4 4459 B9R1.69 Cc1ccc(N)c(Br)c1 Amb1232843 [0,1,0,1,0,0|2,0,0]=4 4460 B9R1.69 Cc1ccc(N)c(Br)n1 Amb6306449 [0,1,0,1,0,0|2,0,0]=4 4461 B9R1.69 Cc1ccc(N)c(C)c1 Amb1239131 [0,1,0,1,0,0|2,0,0]=4 4462 B9R1.69 Cc1ccc(N)c(C)c1 Amb16233810 [0,1,0,1,0,0|2,0,0]=4 4463 B9R1.69 Cc1ccc(N)c(C)n1 Amb1084296 [0,1,0,1,0,0|2,0,0]=4 4464 B9R1.69 Cc1ccc(N)c(Cl)c1 Amb3939772 [0,1,0,1,0,0|2,0,0]=4 4465 B9R1.69 Cc1ccc(N)c(Cl)n1 Amb20668479 [0,1,0,1,0,0|2,0,0]=4 4466 B9R1.69 Cc1ccc(N)c(Cl)n1 Amb2720299 [0,1,0,1,0,0|2,0,0]=4 4467 B9R1.69 Cc1ccc(N)c(F)c1 Amb1227713 [0,1,0,1,0,0|2,0,0]=4 4468 B9R1.69 Cc1ccc(N)c(F)n1 Amb8392985 [0,1,0,1,0,0|2,0,0]=4 4469 B9R1.69 Cc1ccc(N)c(I)c1 Amb6384060 [0,1,0,1,0,0|2,0,0]=4 4470 B9R1.69 Cc1ccc(N)c(I)n1 Amb22497356 [0,1,0,1,0,0|2,0,0]=4 4471 B9R1.69 Cc1ccc(N)c(N)c1 Amb6335762 [0,1,0,1,0,0|2,0,0]=4 4472 B9R1.69 Cc1ccc(N)c(N)c1 Amb8629330 [0,1,0,1,0,0|2,0,0]=4 4473 B9R1.69 Cc1ccc(N)c(N)n1 Amb22727967 [0,1,0,1,0,0|2,0,0]=4 4474 B9R1.69 Cc1ccc(N)c(N)n1 Amb22753679 [0,1,0,1,0,0|2,0,0]=4 4475 B9R1.69 Cc1ccc(N)c(N)n1 Amb6479234 [0,1,0,1,0,0|2,0,0]=4 4476 B9R1.69 Cc1ccc(N)c(N)n1 Amb8396953 [0,1,0,1,0,0|2,0,0]=4 4477 B9R1.69 Cc1ccc(N)c(O)c1 Amb6297779 [0,1,0,1,0,0|1,0,0]=3 4478 B9R1.69 Cc1ccc(N)c(O)n1 Amb19959321 [0,1,0,1,0,0|1,0,0]=3 4479 B9R1.69 Cc1ccc(N)c(O)n1 Amb8386873 [0,1,0,1,0,0|1,0,0]=3 4480 B9R1.69 Cc1ccc(N)c(S)c1 Amb18124559 [0,1,0,1,0,0|1,1,0]=4 4481 B9R1.69 Cc1ccc(N)c(S)c1 Amb33473704 [0,1,0,1,0,0|1,1,0]=4 4482 B9R1.69 Cc1ccc(N)c(S)n1 Amb18202837 [0,1,0,1,0,0|1,1,0]=4 4483 B9R1.69 Cc1ccc(N)cc1C Amb2792846 [0,1,0,1,0,0|2,0,0]=4 4484 B9R1.69 Cc1ccc(N)cc1C Amb33314329 [0,1,0,1,0,0|2,0,0]=4 4485 B9R1.69 Cc1ccc(N)cc1C Amb33379121 [0,1,0,1,0,0|2,0,0]=4 4486 B9R1.69 Cc1ccc(N)cc1O Amb3940727 [0,1,0,1,0,0|2,0,0]=4 4487 B9R1.69 Cc1ccc(N)cc1O Amb8629332 [0,1,0,1,0,0|2,0,0]=4 4488 B9R1.69 Cc1ccc(N)nc1C Amb10070942 [0,1,0,1,0,0|2,0,0]=4 4489 B9R1.69 Cc1ccc(O)c(Br)c1 Amb2189157 [0,1,0,1,0,0|2,0,0]=4 4490 B9R1.69 Cc1ccc(O)c(Br)n1 Amb8439550 [0,1,0,1,0,0|2,0,0]=4 4491 B9R1.69 Cc1ccc(O)c(C)c1 Amb3939543 [0,1,0,1,0,0|2,0,0]=4 4492 B9R1.69 Cc1ccc(O)c(C)n1 Amb6315849 [0,1,0,1,0,0|2,0,0]=4 4493 B9R1.69 Cc1ccc(O)c(Cl)c1 Amb2686221 [0,1,0,1,0,0|2,0,0]=4 4494 B9R1.69 Cc1ccc(O)c(Cl)n1 Amb2612502 [0,1,0,1,0,0|2,0,0]=4 4495 B9R1.69 Cc1ccc(O)c(F)c1 Amb6298633 [0,1,0,1,0,0|2,0,0]=4 4496 B9R1.69 Cc1ccc(O)c(F)n1 Amb15690614 [0,1,0,1,0,0|2,0,0]=4 4497 B9R1.69 Cc1ccc(O)c(I)c1 Amb19149294 [0,1,0,1,0,0|2,0,0]=4 4498 B9R1.69 Cc1ccc(O)c(I)n1 Amb2612496 [0,1,0,1,0,0|2,0,0]=4 4499 B9R1.69 Cc1ccc(O)c(N)c1 Amb22228611 [0,1,0,1,0,0|2,0,0]=4 4500 B9R1.69 Cc1ccc(O)c(N)c1 Amb3940450 [0,1,0,1,0,0|2,0,0]=4 4501 B9R1.69 Cc1ccc(O)c(N)n1 Amb8439718 [0,1,0,1,0,0|2,0,0]=4 4502 B9R1.69 Cc1ccc(O)c(O)c1 Amb6297767 [0,1,0,1,0,0|1,0,0]=3 4503 B9R1.69 Cc1ccc(O)c(S)c1 Amb18643617 [0,1,0,1,0,0|1,1,0]=4 4504 B9R1.69 Cc1ccc(O)cc1Br Amb16185697 [0,1,0,1,0,0|2,0,0]=4 4505 B9R1.69 Cc1ccc(O)cc1C Amb3939551 [0,1,0,1,0,0|1,0,0]=3 4506 B9R1.69 Cc1ccc(O)cc1Cl Amb2686223 [0,1,0,1,0,0|2,0,0]=4 4507 B9R1.69 Cc1ccc(O)cc1F Amb6297931 [0,1,0,1,0,0|2,0,0]=4 4508 B9R1.69 Cc1ccc(O)cc1I Amb24105676 [0,1,0,1,0,0|2,0,0]=4 4509 B9R1.69 Cc1ccc(O)cc1N Amb2697316 [0,1,0,1,0,0|2,0,0]=4 4510 B9R1.69 Cc1ccc(O)cc1O Amb9871491 [0,1,0,1,0,0|2,0,0]=4 4511 B9R1.69 Cc1ccc(O)nc1Br Amb24564038 [0,1,0,1,0,0|2,0,0]=4 4512 B9R1.69 Cc1ccc(O)nc1Cl Amb28049054 [0,1,0,1,0,0|2,0,0]=4 4513 B9R1.69 Cc1ccc(O)nc1F Amb27180045 [0,1,0,1,0,0|2,0,0]=4 4514 B9R1.69 Cc1ccc(O)nc1I Amb26417057 [0,1,0,1,0,0|2,0,0]=4 4515 B9R1.69 Cc1ccc(S)c(Br)c1 Amb8385372 [0,1,0,1,0,0|2,0,0]=4 4516 B9R1.69 Cc1ccc(S)c(C)c1 Amb2687631 [0,1,0,1,0,0|2,0,0]=4 4517 B9R1.69 Cc1ccc(S)c(Cl)c1 Amb19892967 [0,1,0,1,0,0|2,0,0]=4 4518 B9R1.69 Cc1ccc(S)c(Cl)n1 Amb33260295 [0,1,0,1,0,0|2,0,0]=4 4519 B9R1.69 Cc1ccc(S)c(F)c1 Amb19887949 [0,1,0,1,0,0|2,0,0]=4 4520 B9R1.69 Cc1ccc(S)c(I)c1 Amb25188973 [0,1,0,1,0,0|2,0,0]=4 4521 B9R1.69 Cc1ccc(S)c(N)c1 Amb8929747 [0,1,0,1,0,0|2,0,0]=4 4522 B9R1.69 Cc1ccc(S)c(O)c1 Amb18643616 [0,1,0,1,0,0|1,0,0]=3 4523 B9R1.69 Cc1ccc(S)cc1C Amb1207796 [0,1,0,1,0,0|1,1,0]=4 4524 B9R1.69 Cc1ccc(S)cc1O Amb26338323 [0,1,0,1,0,0|2,0,0]=4 4525 B9R1.69 Cc1cnc(Br)c(O)c1 Amb20242732 [0,1,0,1,0,0|2,0,0]=4 4526 B9R1.69 Cc1cnc(C)c(O)n1 Amb18642186 [0,1,0,1,0,0|2,0,0]=4 4527 B9R1.69 Cc1cnc(Cl)c(O)c1 Amb33543877 [0,1,0,1,0,0|2,0,0]=4 4528 B9R1.69 Cc1cnc(F)c(O)c1 Amb19895480 [0,1,0,1,0,0|2,0,0]=4 4529 B9R1.69 Cc1cnc(I)c(O)c1 Amb27462110 [0,1,0,1,0,0|2,0,0]=4 4530 B9R1.69 Cc1cnc(N)c(O)c1 Amb13883496 [0,1,0,1,0,0|2,0,0]=4 4531 B9R1.69 Cc1cnc(O)c(O)c1 Amb25333882 [0,1,0,1,0,0|2,0,0]=4 4532 B9R1.69 Cc1cnc(O)nc1C Amb20182445 [0,1,0,1,0,0|2,0,0]=4 4533 B9R1.69 Cc1cnc(O)nc1C Amb22587317 [0,1,0,1,0,0|2,0,0]=4 4534 B9R1.69 Cc1nc(Br)ccc1Br Amb2795399 [0,1,0,1,0,0|2,0,0]=4 4535 B9R1.69 Cc1nc(Br)ccc1Cl Amb16230963 [0,1,0,1,0,0|2,0,0]=4 4536 B9R1.69 Cc1nc(Br)ccc1F Amb6297612 [0,1,0,1,0,0|2,0,0]=4 4537 B9R1.69 Cc1nc(Br)ccc1I Amb19957326 [0,1,0,1,0,0|2,0,0]=4 4538 B9R1.69 Cc1nc(Br)ccc1N Amb6306451 [0,1,0,1,0,0|2,0,0]=4 4539 B9R1.69 Cc1nc(Br)ccc1O Amb18649720 [0,1,0,1,0,0|2,0,0]=4 4540 B9R1.69 Cc1nc(Cl)ccc1Br Amb8396771 [0,1,0,1,0,0|2,0,0]=4 4541 B9R1.69 Cc1nc(Cl)ccc1Cl Amb612293 [0,1,0,1,0,0|2,0,0]=4 4542 B9R1.69 Cc1nc(Cl)ccc1F Amb8393024 [0,1,0,1,0,0|2,0,0]=4 4543 B9R1.69 Cc1nc(Cl)ccc1I Amb20241253 [0,1,0,1,0,0|2,0,0]=4 4544 B9R1.69 Cc1nc(Cl)ccc1N Amb6336427 [0,1,0,1,0,0|2,0,0]=4 4545 B9R1.69 Cc1nc(Cl)ccc1O Amb20620747 [0,1,0,1,0,0|2,0,0]=4 4546 B9R1.69 Cc1nc(F)ccc1Br Amb8393012 [0,1,0,1,0,0|2,0,0]=4 4547 B9R1.69 Cc1nc(F)ccc1Cl Amb26478657 [0,1,0,1,0,0|2,0,0]=4 4548 B9R1.69 Cc1nc(F)ccc1I Amb15690997 [0,1,0,1,0,0|2,0,0]=4 4549 B9R1.69 Cc1nc(F)ccc1N Amb6308202 [0,1,0,1,0,0|2,0,0]=4 4550 B9R1.69 Cc1nc(F)ccc1O Amb28454506 [0,1,0,1,0,0|2,0,0]=4 4551 B9R1.69 Cc1nc(I)ccc1Br Amb21963683 [0,1,0,1,0,0|2,0,0]=4 4552 B9R1.69 Cc1nc(I)ccc1Cl Amb28129773 [0,1,0,1,0,0|2,0,0]=4 4553 B9R1.69 Cc1nc(I)ccc1N Amb24054698 [0,1,0,1,0,0|2,0,0]=4 4554 B9R1.69 Cc1nc(I)ccc1O Amb22371427 [0,1,0,1,0,0|2,0,0]=4 4555 B9R1.69 Cc1nc(N)ccc1Br Amb2610031 [0,1,0,1,0,0|2,0,0]=4 4556 B9R1.69 Cc1nc(N)ccc1Cl Amb2180399 [0,1,0,1,0,0|2,0,0]=4 4557 B9R1.69 Cc1nc(N)ccc1F Amb16233727 [0,1,0,1,0,0|2,0,0]=4 4558 B9R1.69 Cc1nc(N)ccc1I Amb1068339 [0,1,0,1,0,0|2,0,0]=4 4559 B9R1.69 Cc1nc(N)ccc1O Amb18642176 [0,1,0,1,0,0|2,0,0]=4 4560 B9R1.69 Cc1nc(O)ccc1Br Amb2795394 [0,1,0,1,0,0|1,0,0]=3 4561 B9R1.69 Cc1nc(O)ccc1Cl Amb19959541 [0,1,0,1,0,0|1,0,0]=3 4562 B9R1.69 Cc1nc(O)ccc1I Amb22047344 [0,1,0,1,0,0|1,0,0]=3 4563 B9R1.69 Cc1nc(O)ccc1O Amb23555592 [0,1,0,1,0,0|1,0,0]=3 4564 B9R1.69 Cc1nc(O)ncc1I Amb23400660 [0,1,0,1,0,0|2,0,0]=4 4565 B9R1.69 Cc1nc(O)ncc1N Amb18832820 [0,1,0,1,0,0|2,0,0]=4 4566 B9R1.69 Cc1nc(S)ccc1Br Amb24481812 [0,1,0,1,0,0|1,1,0]=4 4567 B9R1.69 Cc1nc(S)ccc1Cl Amb32423708 [0,1,0,1,0,0|1,1,0]=4 4568 B9R1.69 Cc1ncc(Br)c(O)n1 Amb19957492 [0,1,0,1,0,0|2,0,0]=4 4569 B9R1.69 Cc1ncc(Cl)c(O)n1 Amb22261544 [0,1,0,1,0,0|2,0,0]=4 4570 B9R1.69 Cc1ncc(O)nc1C Amb18124302 [0,1,0,1,0,0|2,0,0]=4 4571 B9R1.69 Cn1ccc(=O)c(O)c1 Amb22504110 [0,1,0,1,0,0|2,0,0]=4 4572 B9R1.69 NC1=C(Br)C=CC(=O)N1 Amb26480597 [0,1,0,1,0,0|2,0,0]=4 4573 B9R1.69 NC1=CC(=O)C=CC1=O Amb25727299 [0,1,0,1,0,0|2,0,0]=4 4574 B9R1.69 NC1=CC=C(Br)NC1=O Amb22000912 [0,1,0,1,0,0|2,0,0]=4 4575 B9R1.69 Nc1cc(O)ccc1Br Amb6298305 [0,1,0,1,0,0|2,0,0]=4 4576 B9R1.69 Nc1cc(O)ccc1Cl Amb8393748 [0,1,0,1,0,0|2,0,0]=4 4577 B9R1.69 Nc1cc(O)ccc1F Amb7172534 [0,1,0,1,0,0|2,0,0]=4 4578 B9R1.69 Nc1ccc(Br)c(O)c1 Amb8439592 [0,1,0,1,0,0|2,0,0]=4 4579 B9R1.69 Nc1ccc(Br)c(O)n1 Amb2795424 [0,1,0,1,0,0|2,0,0]=4 4580 B9R1.69 Nc1ccc(Br)cc1O Amb7969648 [0,1,0,1,0,0|2,0,0]=4 4581 B9R1.69 Nc1ccc(Br)nc1O Amb21937109 [0,1,0,1,0,0|2,0,0]=4 4582 B9R1.69 Nc1ccc(Cl)c(O)c1 Amb8389303 [0,1,0,1,0,0|2,0,0]=4 4583 B9R1.69 Nc1ccc(Cl)cc1O Amb2720297 [0,1,0,1,0,0|2,0,0]=4 4584 B9R1.69 Nc1ccc(Cl)nc1O Amb25760689 [0,1,0,1,0,0|2,0,0]=4 4585 B9R1.69 Nc1ccc(F)c(O)c1 Amb33544596 [0,1,0,1,0,0|2,0,0]=4 4586 B9R1.69 Nc1ccc(F)cc1O Amb6297483 [0,1,0,1,0,0|2,0,0]=4 4587 B9R1.69 Nc1ccc(F)nc1O Amb26396043 [0,1,0,1,0,0|2,0,0]=4 4588 B9R1.69 Nc1ccc(I)c(O)c1 Amb28186479 [0,1,0,1,0,0|2,0,0]=4 4589 B9R1.69 Nc1ccc(I)cc1O Amb13952881 [0,1,0,1,0,0|2,0,0]=4 4590 B9R1.69 Nc1ccc(N)c(O)c1 Amb18642178 [0,1,0,1,0,0|2,0,0]=4 4591 B9R1.69 Nc1ccc(O)c(O)c1 Amb22284780 [0,1,0,1,0,0|2,0,0]=4 4592 B9R1.69 Nc1ccc(O)c(O)c1 Amb2612383 [0,1,0,1,0,0|2,0,0]=4 4593 B9R1.69 Nc1ccc(O)c(O)c1 Amb2695996 [0,1,0,1,0,0|2,0,0]=4 4594 B9R1.69 Nc1ccc(O)cc1Br Amb8439593 [0,1,0,1,0,0|2,0,0]=4 4595 B9R1.69 Nc1ccc(O)cc1Cl Amb2720182 [0,1,0,1,0,0|2,0,0]=4 4596 B9R1.69 Nc1ccc(O)cc1Cl Amb33548106 [0,1,0,1,0,0|2,0,0]=4 4597 B9R1.69 Nc1ccc(O)cc1F Amb2684426 [0,1,0,1,0,0|2,0,0]=4 4598 B9R1.69 Nc1ccc(O)cc1F Amb33717235 [0,1,0,1,0,0|2,0,0]=4 4599 B9R1.69 Nc1ccc(O)cc1F Amb8629991 [0,1,0,1,0,0|2,0,0]=4 4600 B9R1.69 Nc1ccc(O)cc1I Amb28555354 [0,1,0,1,0,0|2,0,0]=4 4601 B9R1.69 Nc1ccc(O)cc1N Amb30585167 [0,1,0,1,0,0|2,0,0]=4 4602 B9R1.69 Nc1ccc(O)cc1N Amb5544650 [0,1,0,1,0,0|2,0,0]=4 4603 B9R1.69 Nc1ccc(O)cc1O Amb18553675 [0,1,0,1,0,0|2,0,0]=4 4604 B9R1.69 Nc1ccc(O)cc1O Amb21858039 [0,1,0,1,0,0|2,0,0]=4 4605 B9R1.69 Nc1ccc(O)nc1Br Amb25118858 [0,1,0,1,0,0|2,0,0]=4 4606 B9R1.69 Nc1ccc(O)nc1Cl Amb24606723 [0,1,0,1,0,0|2,0,0]=4 4607 B9R1.69 Nc1ccc(O)nc1N Amb24550970 [0,1,0,1,0,0|2,0,0]=4 4608 B9R1.69 Nc1ccc(O)nc1O Amb27404408 [0,1,0,1,0,0|2,0,0]=4 4609 B9R1.69 Nc1ccc(S)c(O)c1 Amb27838613 [0,1,0,1,0,0|2,0,0]=4 4610 B9R1.69 Nc1ccc(S)cc1O Amb28314824 [0,1,0,1,0,0|2,0,0]=4 4611 B9R1.69 Nc1nc(O)ccc1Cl Amb28255639 [0,1,0,1,0,0|2,0,0]=4 4612 B9R1.69 Nc1nc(O)ccc1F Amb26583285 [0,1,0,1,0,0|2,0,0]=4 4613 B9R1.69 O=C1C=CC(=O)C(Br)=C1 Amb6297942 [0,1,0,1,0,0|2,0,0]=4 4614 B9R1.69 O=C1C=CC(=O)C(Cl)=C1 Amb8515758 [0,1,0,1,0,0|2,0,0]=4 4615 B9R1.69 O=C1C=CC(=O)C(F)=C1 Amb10841415 [0,1,0,1,0,0|2,0,0]=4 4616 B9R1.69 O=C1C=CC(=O)C(O)=C1 Amb17593265 [0,1,0,1,0,0|2,0,0]=4 4617 B9R1.69 O=C1C=CC(F)=C(Cl)N1 Amb25090136 [0,1,0,1,0,0|2,0,0]=4 4618 B9R1.69 O=C1C=CC(F)=C(F)N1 Amb25974080 [0,1,0,1,0,0|2,0,0]=4 4619 B9R1.69 O=C1NC(Br)=CC=C1Cl Amb25335810 [0,1,0,1,0,0|2,0,0]=4 4620 B9R1.69 O=C1NC(Cl)=CC=C1O Amb26532144 [0,1,0,1,0,0|2,0,0]=4 4621 B9R1.69 O=C1NC(F)=CC=C1F Amb25109484 [0,1,0,1,0,0|2,0,0]=4 4622 B9R1.69 Oc1cc(Br)ccc1Br Amb10068737 [0,1,0,1,0,0|2,0,0]=4 4623 B9R1.69 Oc1cc(Br)ccc1Cl Amb2613016 [0,1,0,1,0,0|2,0,0]=4 4624 B9R1.69 Oc1cc(Br)ccc1F Amb6297146 [0,1,0,1,0,0|2,0,0]=4 4625 B9R1.69 Oc1cc(Br)ccc1I Amb22001827 [0,1,0,1,0,0|2,0,0]=4 4626 B9R1.69 Oc1cc(Br)ccc1S Amb24583087 [0,1,0,1,0,0|2,0,0]=4 4627 B9R1.69 Oc1cc(Cl)ccc1Br Amb10071212 [0,1,0,1,0,0|2,0,0]=4 4628 B9R1.69 Oc1cc(Cl)ccc1Cl Amb3939538 [0,1,0,1,0,0|2,0,0]=4 4629 B9R1.69 Oc1cc(Cl)ccc1F Amb9297232 [0,1,0,1,0,0|2,0,0]=4 4630 B9R1.69 Oc1cc(Cl)ccc1I Amb15690913 [0,1,0,1,0,0|2,0,0]=4 4631 B9R1.69 Oc1cc(Cl)ccc1S Amb26927276 [0,1,0,1,0,0|2,0,0]=4 4632 B9R1.69 Oc1cc(F)ccc1Br Amb2685233 [0,1,0,1,0,0|2,0,0]=4 4633 B9R1.69 Oc1cc(F)ccc1Cl Amb2686042 [0,1,0,1,0,0|2,0,0]=4 4634 B9R1.69 Oc1cc(F)ccc1F Amb2687211 [0,1,0,1,0,0|2,0,0]=4 4635 B9R1.69 Oc1cc(I)ccc1Br Amb19516085 [0,1,0,1,0,0|2,0,0]=4 4636 B9R1.69 Oc1cc(I)ccc1Cl Amb8439697 [0,1,0,1,0,0|2,0,0]=4 4637 B9R1.69 Oc1cc(I)ccc1F Amb19958077 [0,1,0,1,0,0|2,0,0]=4 4638 B9R1.69 Oc1cc(I)ccc1I Amb24478786 [0,1,0,1,0,0|2,0,0]=4 4639 B9R1.69 Oc1cc(I)ccc1S Amb27838612 [0,1,0,1,0,0|2,0,0]=4 4640 B9R1.69 Oc1cc(S)ccc1Br Amb26498929 [0,1,0,1,0,0|2,0,0]=4 4641 B9R1.69 Oc1cc(S)ccc1Cl Amb27838639 [0,1,0,1,0,0|2,0,0]=4 4642 B9R1.69 Oc1cc(S)ccc1F Amb27237114 [0,1,0,1,0,0|2,0,0]=4 4643 B9R1.69 Oc1cc(S)ccc1I Amb27411183 [0,1,0,1,0,0|2,0,0]=4 4644 B9R1.69 Oc1cc(S)ccc1S Amb25997255 [0,1,0,1,0,0|2,0,0]=4 4645 B9R1.69 Oc1ccc(Br)c(Br)c1 Amb6297318 [0,1,0,1,0,0|2,0,0]=4 4646 B9R1.69 Oc1ccc(Br)c(Br)n1 Amb25888828 [0,1,0,1,0,0|2,0,0]=4 4647 B9R1.69 Oc1ccc(Br)c(Cl)c1 Amb33548806 [0,1,0,1,0,0|2,0,0]=4 4648 B9R1.69 Oc1ccc(Br)c(Cl)n1 Amb19959501 [0,1,0,1,0,0|2,0,0]=4 4649 B9R1.69 Oc1ccc(Br)c(F)c1 Amb2685234 [0,1,0,1,0,0|2,0,0]=4 4650 B9R1.69 Oc1ccc(Br)c(F)n1 Amb22754656 [0,1,0,1,0,0|2,0,0]=4 4651 B9R1.69 Oc1ccc(Br)c(I)c1 Amb22735788 [0,1,0,1,0,0|2,0,0]=4 4652 B9R1.69 Oc1ccc(Br)c(O)c1 Amb3939307 [0,1,0,1,0,0|2,0,0]=4 4653 B9R1.69 Oc1ccc(Br)c(S)c1 Amb28369358 [0,1,0,1,0,0|2,0,0]=4 4654 B9R1.69 Oc1ccc(Br)cc1O Amb10602640 [0,1,0,1,0,0|2,0,0]=4 4655 B9R1.69 Oc1ccc(Cl)c(Br)c1 Amb6296736 [0,1,0,1,0,0|2,0,0]=4 4656 B9R1.69 Oc1ccc(Cl)c(Br)n1 Amb26610908 [0,1,0,1,0,0|2,0,0]=4 4657 B9R1.69 Oc1ccc(Cl)c(Cl)c1 Amb3939548 [0,1,0,1,0,0|2,0,0]=4 4658 B9R1.69 Oc1ccc(Cl)c(Cl)n1 Amb24379510 [0,1,0,1,0,0|2,0,0]=4 4659 B9R1.69 Oc1ccc(Cl)c(F)c1 Amb2686046 [0,1,0,1,0,0|2,0,0]=4 4660 B9R1.69 Oc1ccc(Cl)c(F)n1 Amb24582207 [0,1,0,1,0,0|2,0,0]=4 4661 B9R1.69 Oc1ccc(Cl)c(I)c1 Amb10069351 [0,1,0,1,0,0|2,0,0]=4 4662 B9R1.69 Oc1ccc(Cl)c(I)n1 Amb25996644 [0,1,0,1,0,0|2,0,0]=4 4663 B9R1.69 Oc1ccc(Cl)c(O)c1 Amb3941632 [0,1,0,1,0,0|2,0,0]=4 4664 B9R1.69 Oc1ccc(Cl)cc1O Amb4035218 [0,1,0,1,0,0|2,0,0]=4 4665 B9R1.69 Oc1ccc(F)c(Br)c1 Amb6298647 [0,1,0,1,0,0|2,0,0]=4 4666 B9R1.69 Oc1ccc(F)c(Br)n1 Amb26642082 [0,1,0,1,0,0|2,0,0]=4 4667 B9R1.69 Oc1ccc(F)c(Cl)c1 Amb2686045 [0,1,0,1,0,0|2,0,0]=4 4668 B9R1.69 Oc1ccc(F)c(F)c1 Amb1152988 [0,1,0,1,0,0|2,0,0]=4 4669 B9R1.69 Oc1ccc(F)c(I)c1 Amb24478755 [0,1,0,1,0,0|2,0,0]=4 4670 B9R1.69 Oc1ccc(F)c(I)n1 Amb25924264 [0,1,0,1,0,0|2,0,0]=4 4671 B9R1.69 Oc1ccc(F)c(O)c1 Amb16185891 [0,1,0,1,0,0|2,0,0]=4 4672 B9R1.69 Oc1ccc(F)c(S)c1 Amb27166571 [0,1,0,1,0,0|2,0,0]=4 4673 B9R1.69 Oc1ccc(F)cc1O Amb8383928 [0,1,0,1,0,0|2,0,0]=4 4674 B9R1.69 Oc1ccc(I)c(Br)c1 Amb22735960 [0,1,0,1,0,0|2,0,0]=4 4675 B9R1.69 Oc1ccc(I)c(Br)n1 Amb22900018 [0,1,0,1,0,0|2,0,0]=4 4676 B9R1.69 Oc1ccc(I)c(Cl)c1 Amb24082687 [0,1,0,1,0,0|2,0,0]=4 4677 B9R1.69 Oc1ccc(I)c(Cl)n1 Amb27962924 [0,1,0,1,0,0|2,0,0]=4 4678 B9R1.69 Oc1ccc(I)c(F)c1 Amb20670870 [0,1,0,1,0,0|2,0,0]=4 4679 B9R1.69 Oc1ccc(I)c(F)n1 Amb21963443 [0,1,0,1,0,0|2,0,0]=4 4680 B9R1.69 Oc1ccc(I)c(I)c1 Amb21963846 [0,1,0,1,0,0|2,0,0]=4 4681 B9R1.69 Oc1ccc(I)c(S)c1 Amb25692167 [0,1,0,1,0,0|2,0,0]=4 4682 B9R1.69 Oc1ccc(I)cc1O Amb10606909 [0,1,0,1,0,0|2,0,0]=4 4683 B9R1.69 Oc1ccc(O)c(Cl)c1 Amb6297198 [0,1,0,1,0,0|2,0,0]=4 4684 B9R1.69 Oc1ccc(O)c(Cl)n1 Amb25147070 [0,1,0,1,0,0|2,0,0]=4 4685 B9R1.69 Oc1ccc(O)c(F)c1 Amb20240579 [0,1,0,1,0,0|2,0,0]=4 4686 B9R1.69 Oc1ccc(O)c(F)n1 Amb25984913 [0,1,0,1,0,0|2,0,0]=4 4687 B9R1.69 Oc1ccc(O)c(O)c1 Amb6296031 [0,1,0,1,0,0|2,0,0]=4 4688 B9R1.69 Oc1ccc(O)c(S)c1 Amb10070964 [0,1,0,1,0,0|2,0,0]=4 4689 B9R1.69 Oc1ccc(S)c(Br)c1 Amb27851065 [0,1,0,1,0,0|2,0,0]=4 4690 B9R1.69 Oc1ccc(S)c(Cl)c1 Amb18645433 [0,1,0,1,0,0|2,0,0]=4 4691 B9R1.69 Oc1ccc(S)c(F)c1 Amb24642779 [0,1,0,1,0,0|2,0,0]=4 4692 B9R1.69 Oc1ccc(S)c(I)c1 Amb24404961 [0,1,0,1,0,0|2,0,0]=4 4693 B9R1.69 Oc1ccc(S)c(O)c1 Amb18643824 [0,1,0,1,0,0|2,0,0]=4 4694 B9R1.69 Oc1ccc(S)cc1O Amb24546795 [0,1,0,1,0,0|2,0,0]=4 4695 B9R1.69 Oc1nc(Br)ccc1Br Amb25761252 [0,1,0,1,0,0|2,0,0]=4 4696 B9R1.69 Oc1nc(Br)ccc1F Amb24432271 [0,1,0,1,0,0|2,0,0]=4 4697 B9R1.69 Oc1nc(Br)ccc1I Amb28280814 [0,1,0,1,0,0|2,0,0]=4 4698 B9R1.69 Oc1nc(Cl)ccc1Cl Amb10070962 [0,1,0,1,0,0|2,0,0]=4 4699 B9R1.69 Oc1nc(Cl)ccc1F Amb22728451 [0,1,0,1,0,0|2,0,0]=4 4700 B9R1.69 Oc1nc(Cl)ccc1I Amb22900057 [0,1,0,1,0,0|2,0,0]=4 4701 B9R1.69 Oc1nc(F)ccc1Br Amb25780446 [0,1,0,1,0,0|2,0,0]=4 4702 B9R1.69 Oc1nc(F)ccc1I Amb27636653 [0,1,0,1,0,0|2,0,0]=4 4703 B9R1.69 Oc1nc(I)ccc1Cl Amb25247437 [0,1,0,1,0,0|2,0,0]=4 4704 B9R1.69 Oc1nc(I)ccc1F Amb27461671 [0,1,0,1,0,0|2,0,0]=4 4705 B9R1.69 [NH3+]c1ccc(Cl)cc1O Amb24063635 [0,1,0,1,0,0|2,0,0]=4 4706 B9R1.110 CC(C(=O)O)=C1CCC1 Amb25921041 [0,1,0,1,0,0|0,0,2]=4 4707 B9R1.110 CC(C(=O)O)=C1COC1 Amb35585359 [0,1,0,1,0,0|1,0,1]=4 4708 B9R1.110 NC(C(=O)O)C1=CCC1 Amb27792901 [0,1,0,1,0,0|0,0,2]=4 4709 B9R1.110 O=C(O)C(F)=C1CCC1 Amb24432885 [0,1,0,1,0,0|0,0,2]=4 4710 B9R1.110 O=C(O)C(F)=C1COC1 Amb35585360 [0,1,0,1,0,0|1,0,1]=4 4711 B9R1.112 C\C(=C/C1CC1)C(=O)O Amb25996000 [0,1,0,1,0,0|0,0,2]=4 4712 B9R1.112 O=C(O)\C(F)=C\C1CC1 Amb25102827 [0,1,0,1,0,0|0,0,2]=4 4713 B9R1.163 CC1(C(=O)O)C=CCC1 Amb18642405 [0,1,0,1,0,0|0,0,2]=4 4714 B9R1.163 CC1(C(=O)O)CC=CC1 Amb27882689 [0,1,0,1,0,0|0,0,2]=4 4715 B9R1.163 NC1(C(=O)O)CC=CC1 Amb2683267 [0,1,0,1,0,0|0,0,2]=4 4716 B9R1.163 O=C(O)C1(F)CC=CC1 Amb35789531 [0,1,0,1,0,0|0,0,2]=4 4717 B9R1.147 CC1(\C=C\C(=O)O)CC1 Amb33313120 [0,1,0,1,0,0|0,0,2]=4 4718 B9R1.19 O=S(=O)(O)c1cccs1 Amb17672954 [0,1,0,1,0,0|2,0,0]=4 4719 B9R1.170 CC1(C)C\C1=C/C(=O)O Amb25056977 [0,1,0,1,0,0|0,0,2]=4 4720 B9R2.21 Brc1ccc2c(c1)C2 Amb26013771 [0,0,0,2,0,0|2,0,0]=4 4721 B9R2.109 Brc1cccc2c1C2 Amb27438028 [0,0,0,2,0,0|2,0,0]=4