0 B5R0.1 C=C(C)CCC 5700AL [0,0,0,0,0,0|2,0,2]=4 1 B5R0.1 C=CNC(C)=O 8689AL [0,0,0,0,0,0|2,0,1]=3 2 B5R0.1 CC(C)=CCBr Z1911 [0,0,0,0,0,0|3,0,1]=4 3 B5R0.1 CNCC(=O)O 9764AB [0,0,0,0,0,0|1,0,1]=2 4 B5R0.1 CNOC(C)=O 8699AL [0,0,0,0,0,0|3,0,0]=3 5 B5R0.1 COCC(=N)N W4095 [0,0,0,0,0,0|3,0,1]=4 6 B5R0.1 COCC(C)=O U020 [0,0,0,0,0,0|2,0,1]=3 7 B5R0.1 CSC=[N+](C)C 8446AL [0,0,0,0,0,0|4,0,0]=4 8 B5R0.1 CSCC(C)=O Y1373 [0,0,0,0,0,0|2,0,1]=3 9 B5R0.1 CSCS(C)=O E772 [0,0,0,0,0,0|3,0,1]=4 10 B5R0.1 NCCC(N)=O 6432AB [0,0,0,0,0,0|2,0,2]=4 11 B5R0.1 NCCS(=O)O 0301AQ [0,0,0,0,0,0|2,0,2]=4 12 B5R0.1 O=C(O)CCI 7031AF [0,0,0,0,0,0|1,0,2]=3 13 B4R0.1 C=CC(=O)[O-] 7016AF [1,0,0,0,0,0|0,0,1]=2 14 B4R0.1 C=CC(C)O 6444AE [1,0,0,0,0,0|1,0,1]=3 15 B4R0.1 CC(=O)O[Cu] X3614 [1,0,0,0,0,0|3,0,0]=4 16 B4R0.1 CC(=O)O[Tl] 6845AF [1,0,0,0,0,0|3,0,0]=4 17 B4R0.1 CC(C)=CBr X6156 [1,0,0,0,0,0|3,0,0]=4 18 B4R0.1 CCC(N)=S 9153AL [1,0,0,0,0,0|1,1,1]=4 19 B4R0.1 CNC(=N)N 5115AF [1,0,0,0,0,0|3,0,0]=4 20 B4R0.1 NCC(N)=O 1224AA [1,0,0,0,0,0|2,0,1]=4 21 B4R0.1 NCC(N)=O W7259 [1,0,0,0,0,0|2,0,1]=4 22 B4R0.2 C=CCCC 7306AF [1,0,0,0,0,0|1,0,2]=4 23 B4R0.2 C=CSCC 7899AL [1,0,0,0,0,0|2,0,1]=4 24 B4R0.2 CCOC=N M412 [1,0,0,0,0,0|2,0,1]=4 25 B4R0.2 CSCCO U461 [1,0,0,0,0,0|1,0,2]=4 26 B4R0.2 C\C=C\CC 7309AF [1,0,0,0,0,0|1,0,1]=3 27 B4R0.2 C\C=C\OC 1641AL [1,0,0,0,0,0|2,0,0]=3 28 B6R0.1 C=COC(=O)CC 7389AF [0,1,0,0,0,0|2,0,1]=4 29 B6R0.1 CCC\C(N)=N\O 8990AD [0,1,0,0,0,0|1,0,2]=4 30 B6R0.1 CCNC(=O)CC 8553AL [0,1,0,0,0,0|2,0,1]=4 31 B6R0.1 CCOC(=O)CI 7240AF [0,1,0,0,0,0|2,0,1]=4 32 B6R0.1 CCOC(=O)NO 6247AE [0,1,0,0,0,0|1,0,1]=3 33 B6R0.1 CCOC(=O)OC 7884AL [0,1,0,0,0,0|1,0,1]=3 34 B6R0.1 COC(=O)C#CBr 1628AB [0,1,0,0,0,0|1,0,2]=4 35 B6R0.1 COC(=O)OCCl 0229AP [0,1,0,0,0,0|2,0,1]=4 36 B6R0.1 COC(=O)\C=C\I 9331AB [0,1,0,0,0,0|1,0,0]=2 37 B6R0.1 C\C=C\C(=O)CC 2730AL [0,1,0,0,0,0|1,0,0]=2 38 B6R0.2 CC(=O)NC(C)=O 7247AF [0,1,0,0,0,0|2,0,0]=3 39 B6R0.2 CC(=O)NC(C)C X8984 [0,1,0,0,0,0|2,0,1]=4 40 B6R0.2 CC(C)NC(N)=O X3415 [0,1,0,0,0,0|2,0,1]=4 41 B6R0.2 CC(C)OC(N)=O 7274AF [0,1,0,0,0,0|2,0,1]=4 42 B6R0.2 CC(Cl)CC(=O)O 7238AF [0,1,0,0,0,0|0,0,2]=3 43 B6R0.2 CC(N)CC(=O)O 3162AL [0,1,0,0,0,0|0,0,2]=3 44 B6R0.2 C[C@@H](N)CC(=O)O Z5926 [0,1,0,0,0,0|0,0,2]=3 45 B6R0.2 C[C@H](N)CC(=O)O W5861 [0,1,0,0,0,0|0,0,2]=3 46 B6R0.3 C=C(C)C(=O)NC 3763AL [0,1,0,0,0,0|3,0,0]=4 47 B6R0.3 C=CN(C)C(C)=O V0612 [0,1,0,0,0,0|2,0,1]=4 48 B6R0.3 CC(=O)C(=O)CBr W6757 [0,1,0,0,0,0|2,0,1]=4 49 B6R0.3 CC(CN)C(=O)O B714 [0,1,0,0,0,0|1,0,2]=4 50 B6R0.3 CCC(=O)C(C)=O 7386AF [0,1,0,0,0,0|1,0,1]=3 51 B6R0.3 CCC(Br)C(=O)Cl 5533AL [0,1,0,0,0,0|1,0,2]=4 52 B6R0.3 CCC(Cl)C(=O)O 7236AF [0,1,0,0,0,0|0,0,2]=3 53 B6R0.3 CCC(O)C(=O)O Z2570 [0,1,0,0,0,0|0,0,2]=3 54 B6R0.3 CC[C@H](N)C(N)=O V3235 [0,1,0,0,0,0|1,0,2]=4 55 B6R0.3 CNC(C)C(=O)O 0549AP [0,1,0,0,0,0|1,0,1]=3 56 B6R0.3 CON(C)C(=O)Cl 8593AL [0,1,0,0,0,0|3,0,0]=4 57 B6R0.3 C[C@@H](CN)C(=O)O 5650AC [0,1,0,0,0,0|1,0,2]=4 58 B6R0.3 C[C@H](CN)C(=O)O 5992AA [0,1,0,0,0,0|1,0,2]=4 59 B6R0.3 C[C@H](CO)C(=O)O 9933AA [0,1,0,0,0,0|1,0,2]=4 60 B6R0.3 NC(CCl)C(=O)O 1396AE [0,1,0,0,0,0|1,0,2]=4 61 B6R0.3 NCC(F)C(=O)O 5631AL [0,1,0,0,0,0|1,0,2]=4 62 B6R0.3 NCC(N)C(=O)O 3293AL [0,1,0,0,0,0|1,0,2]=4 63 B6R0.3 NCC(N)C(=O)O V0517 [0,1,0,0,0,0|1,0,2]=4 64 B6R0.3 NCC(O)C(=O)O X2972 [0,1,0,0,0,0|1,0,2]=4 65 B6R0.3 N[C@@H](CCl)C(=O)O W6670 [0,1,0,0,0,0|1,0,2]=4 66 B6R0.3 N[C@H](CCl)C(=O)O 3161AL [0,1,0,0,0,0|1,0,2]=4 67 B6R0.3 O=C(O)C(=O)CBr 7040AD [0,1,0,0,0,0|1,0,1]=3 68 B6R0.4 C=C\C=C\C(=O)O Z4964 [0,1,0,0,0,0|0,0,1]=2 69 B6R0.4 CCC#CC(C)=O 6057AL [0,1,0,0,0,0|1,0,2]=4 70 B6R0.4 CCCNC(N)=O P685 [0,1,0,0,0,0|1,0,2]=4 71 B6R0.4 CCCOC(N)=O 9471AB [0,1,0,0,0,0|1,0,2]=4 72 B6R0.4 CCCSC(C)=O R568 [0,1,0,0,0,0|1,0,2]=4 73 B6R0.4 CCNCC(=O)O X5133 [0,1,0,0,0,0|0,0,2]=3 74 B6R0.4 CSCCC(C)=O L760 [0,1,0,0,0,0|1,0,2]=4 75 B6R0.4 C\C=N\NC(N)=O 6977AL [0,1,0,0,0,0|2,0,0]=3 76 B6R0.4 N#CCCC(=O)O W3483 [0,1,0,0,0,0|0,0,3]=4 77 B6R0.4 NC(=O)CCCCl Y1653 [0,1,0,0,0,0|1,0,2]=4 78 B6R0.4 NCCCC(N)=O 5556AA [0,1,0,0,0,0|1,0,2]=4 79 B6R0.4 O=C([O-])CNCO 0872AC [0,1,0,0,0,0|1,0,2]=4 80 B6R0.4 [N-]=[N+]=NCC(=O)O 1050AQ [0,1,0,0,0,0|2,0,1]=4 81 B6R0.5 C\C=C/P(=O)(O)O 2056AB [0,1,0,0,0,0|1,0,0]=2 82 B6R1.2 BrC1=NNC=C1 W3171 [0,0,0,1,0,0|3,0,0]=4 83 B6R1.2 BrC1=NOC=C1 2067AA [0,0,0,1,0,0|3,0,0]=4 84 B6R1.2 BrC1=NSC=C1 Z4879 [0,0,0,1,0,0|3,0,0]=4 85 B6R1.2 ClC1=NNC=C1 7033AA [0,0,0,1,0,0|3,0,0]=4 86 B6R1.2 IC1=NNC=C1 Y5436 [0,0,0,1,0,0|3,0,0]=4 87 B6R1.2 NC1=CC=NO1 Z4172 [0,0,0,1,0,0|2,0,0]=3 88 B6R1.2 NC1=CSC=C1 2074AB [0,0,0,1,0,0|3,0,0]=4 89 B6R1.2 NC1=CSC=C1 W8854 [0,0,0,1,0,0|3,0,0]=4 90 B6R1.2 O=C1C=CNN1 X9987 [0,0,0,1,0,0|2,0,0]=3 91 B6R1.2 O=C1C=CSN1 Z3786 [0,0,0,1,0,0|2,0,0]=3 92 B6R1.2 O=C1CC=NN1 Z4130 [0,0,0,1,0,0|2,0,1]=4 93 B6R1.2 O=C1CCNN1 W3840 [0,0,0,1,0,0|3,0,0]=4 94 B6R1.2 O=C1CCON1 3285AA [0,0,0,1,0,0|3,0,0]=4 95 B6R1.2 O=C1CNCN1 X9977 [0,0,0,1,0,0|2,0,1]=4 96 B6R1.2 OC1=CNN=C1 Y1506 [0,0,0,1,0,0|3,0,0]=4 97 B6R1.2 OC1=NC=NN1 2489AD [0,0,0,1,0,0|3,0,0]=4 98 B6R1.2 ON1C=CC=N1 2689AC [0,0,0,1,0,0|2,0,1]=4 99 B6R1.5 CC1CC(=O)O1 7160AL [0,0,0,1,0,0|0,0,2]=3 100 B3R0.1 CCNO X5655 [2,0,0,0,0,0|1,0,1]=4 101 B3R0.2 C=C(C)C 5301AF [2,0,0,0,0,0|2,0,0]=4 102 B3R0.2 CC(=N)N 6978AL [2,0,0,0,0,0|2,0,0]=4 103 B3R0.2 CC(=O)O 6852AF [2,0,0,0,0,0|0,0,0]=2 104 B3R0.2 CC(=O)[O-] 6843AF [2,0,0,0,0,0|0,0,1]=3 105 B3R0.2 NC(N)=O G570 [2,0,0,0,0,0|2,0,0]=4 106 B3R0.2 O=C([O-])O 6528AH [2,0,0,0,0,0|1,0,0]=3 107 B3R0.2 O=C([O-])[O-] 5334AF [2,0,0,0,0,0|1,0,1]=4 108 B3R0.2 O=C([O-])[O-] 7328AJ [2,0,0,0,0,0|1,0,1]=4 109 B3R0.2 O=C([O-])[O-] 7332AJ [2,0,0,0,0,0|1,0,1]=4 110 B3R0.2 O=C([O-])[O-] 8472AF [2,0,0,0,0,0|1,0,1]=4 111 B3R0.2 O=C([O-])[O-] 8476AF [2,0,0,0,0,0|1,0,1]=4 112 B3R0.2 O=C([O-])[O-] 8478AF [2,0,0,0,0,0|1,0,1]=4 113 B3R0.2 O=C([O-])[O-] V0893 [2,0,0,0,0,0|1,0,1]=4 114 B3R0.2 O=C([O-])[O-] X4664 [2,0,0,0,0,0|1,0,1]=4 115 B3R0.2 O=[Si](O)O 8695AF [2,0,0,0,0,0|1,1,0]=4 116 B5R0.3 C=CC(=O)NC 3091AA [1,1,0,0,0,0|1,0,0]=3 117 B5R0.3 C=CC(O)CC 7733AJ [1,1,0,0,0,0|1,0,1]=4 118 B5R0.3 C=CC(O)CO V0531 [1,1,0,0,0,0|0,0,2]=4 119 B5R0.3 C=C[C@@H](N)CO 3384AB [1,1,0,0,0,0|1,0,1]=4 120 B5R0.3 C=C[C@H](N)CO W4532 [1,1,0,0,0,0|1,0,1]=4 121 B5R0.3 CCC(=O)NC 7273AF [1,1,0,0,0,0|1,0,1]=4 122 B5R0.3 CCC(=O)NN 6023AE [1,1,0,0,0,0|1,0,1]=4 123 B5R0.3 CC\C(N)=N\O 9295AD [1,1,0,0,0,0|1,0,1]=4 124 B5R0.3 COS(=O)OC 6871AF [1,1,0,0,0,0|2,0,0]=4 125 B5R0.3 CS\C(O)=[SH]/C K552 [1,1,0,0,0,0|1,1,0]=4 126 B5R0.3 C\C=C(/C)C#N 5703AL [1,1,0,0,0,0|2,0,0]=4 127 B5R0.3 NNC(=O)CO 4389AB [1,1,0,0,0,0|2,0,0]=4 128 B5R0.4 C=CS(C)(=O)=O V5535 [1,1,0,0,0,0|1,0,1]=4 129 B5R0.5 CC(=O)N(C)C B355 [1,1,0,0,0,0|2,0,0]=4 130 B5R0.5 CC(=O)[C@H](C)N 2350AA [1,1,0,0,0,0|1,0,1]=4 131 B5R0.5 CC(C)C(=O)[O-] 7249AF [1,1,0,0,0,0|0,0,2]=4 132 B5R0.5 CC(Cl)C(N)=O 9013AD [1,1,0,0,0,0|1,0,1]=4 133 B5R0.5 CC(N)C(N)=O 9942AE [1,1,0,0,0,0|1,0,1]=4 134 B5R0.5 CC(N)C(N)=O V6080 [1,1,0,0,0,0|1,0,1]=4 135 B5R0.5 CC(O)C(=O)[O-] 7038AF [1,1,0,0,0,0|0,0,2]=4 136 B5R0.5 CC(O)C(=O)[O-] O583 [1,1,0,0,0,0|0,0,2]=4 137 B5R0.5 C[C@@H](N)C(N)=O Z4641 [1,1,0,0,0,0|1,0,1]=4 138 B5R0.5 NC(=O)C(=O)[O-] Z3402 [1,1,0,0,0,0|1,0,1]=4 139 B5R0.5 O=C(O)C(Br)Br 6811AF [1,1,0,0,0,0|1,0,1]=4 140 B5R0.2 C=CCNC=O 5211AD [1,1,0,0,0,0|0,0,2]=4 141 B5R0.2 CCCOC=O 8880AL [1,1,0,0,0,0|0,0,2]=4 142 B5R0.2 CC\C=C/CC 7431AL [1,1,0,0,0,0|1,0,1]=4 143 B5R0.2 CC\C=C/CO 3214AL [1,1,0,0,0,0|0,0,1]=3 144 B5R0.2 CC\C=C\CC 3771AD [1,1,0,0,0,0|1,0,1]=4 145 B5R0.2 C\C=C\C=C\C 5333AL [1,1,0,0,0,0|1,0,0]=3 146 B5R0.2 NOC\C=C\Cl 3995AC [1,1,0,0,0,0|1,0,1]=4 147 B7R0.2 CC(=O)\C=C(\C)O[Rh] G765 [0,2,0,0,0,0|1,0,0]=3 148 B7R0.2 CCC(N)CC(=O)O W4035 [0,2,0,0,0,0|0,0,2]=4 149 B7R0.2 CCN(C)CC(=O)O 9048AE [0,2,0,0,0,0|0,0,2]=4 150 B7R0.2 CC[C@H](C)CC(=O)O 4847AJ [0,2,0,0,0,0|0,0,2]=4 151 B7R0.2 CNC(=O)NC(C)=O 7251AF [0,2,0,0,0,0|2,0,0]=4 152 B7R0.2 COC(=O)CC(C)C 8842AJ [0,2,0,0,0,0|0,0,2]=4 153 B7R0.2 COC(=O)CN(C)C X7323 [0,2,0,0,0,0|1,0,1]=4 154 B7R0.2 NC[C@H](O)CC(=O)O Z5048 [0,2,0,0,0,0|0,0,2]=4 155 B7R0.2 N[C@@H](CO)CC(=O)O W3594 [0,2,0,0,0,0|0,0,2]=4 156 B7R0.2 N[C@H](CO)CC(=O)O Z5676 [0,2,0,0,0,0|0,0,2]=4 157 B7R0.3 C=CCOC(=O)OC Z3261 [0,2,0,0,0,0|0,0,2]=4 158 B7R0.3 COC(=O)CCCN 3563AL [0,2,0,0,0,0|0,0,2]=4 159 B7R0.3 COC(=O)CNC=O 3413AB [0,2,0,0,0,0|1,0,1]=4 160 B7R0.5 C=CC[C@@H](N)C(=O)O 1695AA [0,2,0,0,0,0|0,0,2]=4 161 B7R0.5 CC(NC=O)C(=O)O 6246AE [0,2,0,0,0,0|1,0,1]=4 162 B7R0.5 COCC(N)C(=O)O Z1926 [0,2,0,0,0,0|0,0,2]=4 163 B7R0.5 CSC[C@H](N)C(=O)O V1222 [0,2,0,0,0,0|0,0,2]=4 164 B7R0.5 NC(CCS)C(=O)O D600 [0,2,0,0,0,0|0,0,2]=4 165 B7R0.5 NCCC(N)C(=O)O X3169 [0,2,0,0,0,0|0,0,2]=4 166 B7R0.5 NCC[C@H](N)C(=O)O 0470AP [0,2,0,0,0,0|0,0,2]=4 167 B7R0.5 NCC[C@H](N)C(=O)O 7090AH [0,2,0,0,0,0|0,0,2]=4 168 B7R0.7 CCOC(=O)OCCl Z4637 [0,2,0,0,0,0|1,0,1]=4 169 B7R0.7 CCOC(=O)\C=C\I V5131 [0,2,0,0,0,0|1,0,0]=3 170 B7R0.7 CCOC(=O)\C=C\[O-] 8763AB [0,2,0,0,0,0|1,0,0]=3 171 B7R0.7 COCC(=O)COC 9752AA [0,2,0,0,0,0|1,0,1]=4 172 B7R0.10 C=C(CO)C(=O)OC X7006 [0,2,0,0,0,0|1,0,1]=4 173 B7R0.10 C=C(OC)C(=O)OC 3529AL [0,2,0,0,0,0|1,0,0]=3 174 B7R0.10 C=CC(O)C(=O)OC 7788AL [0,2,0,0,0,0|0,0,2]=4 175 B7R0.10 CC[C@H](O)C(=O)OC 9869AL [0,2,0,0,0,0|0,0,2]=4 176 B7R0.10 CNC(=O)C(=O)NC R814 [0,2,0,0,0,0|2,0,0]=4 177 B7R0.10 CNC(C)C(=O)OC 4207AJ [0,2,0,0,0,0|1,0,1]=4 178 B7R0.10 CN[C@@H](C)C(=O)OC V5398 [0,2,0,0,0,0|1,0,1]=4 179 B7R0.10 COC(=O)C(=O)CBr S720 [0,2,0,0,0,0|1,0,1]=4 180 B7R0.10 COC(=O)C(=O)NN 7238AE [0,2,0,0,0,0|2,0,0]=4 181 B7R0.10 COC(=O)C(C)OC X3976 [0,2,0,0,0,0|1,0,1]=4 182 B7R0.10 C\C=C(/Br)C(=O)OC 3521AL [0,2,0,0,0,0|0,0,0]=2 183 B7R0.10 C\C=C(/C)C(=O)OC 8251AL [0,2,0,0,0,0|0,0,0]=2 184 B7R0.16 CC(=O)N(C)C(C)=O Y3328 [0,2,0,0,0,0|2,0,0]=4 185 B7R0.16 CC(C)C(=O)C(=O)O 1796AC [0,2,0,0,0,0|0,0,1]=3 186 B7R0.16 CC(C)C(C)C(=O)O 6994AA [0,2,0,0,0,0|0,0,2]=4 187 B7R0.16 CC(C)[C@@H](Br)C(=O)O N107 [0,2,0,0,0,0|0,0,2]=4 188 B7R0.16 CC(C)[C@H](Br)C(=O)O M886 [0,2,0,0,0,0|0,0,2]=4 189 B7R0.16 C[C@@H](C(=O)O)N(C)C 1280AL [0,2,0,0,0,0|1,0,1]=4 190 B7R0.13 C=CC(C)(C)C(=O)O 0670AA [0,2,0,0,0,0|0,0,2]=4 191 B7R0.13 CCC(F)(F)C(=O)O 8005AD [0,2,0,0,0,0|0,0,2]=4 192 B7R0.13 CC[C@@](C)(N)C(=O)O Q389 [0,2,0,0,0,0|0,0,2]=4 193 B7R0.15 CN[C@@H](CO)C(=O)O 0565AP [0,2,0,0,0,0|1,0,1]=4 194 B7R0.15 CN[C@@H](CO)C(=O)O Z5780 [0,2,0,0,0,0|1,0,1]=4 195 B7R0.4 C=CCNCC(=O)O Y8695 [0,2,0,0,0,0|0,0,2]=4 196 B7R0.4 CCCOCC(=O)O 5344AE [0,2,0,0,0,0|0,0,2]=4 197 B7R0.4 CNCCCC(=O)O 2115AA [0,2,0,0,0,0|0,0,2]=4 198 B7R0.4 COCCCC(=O)O 2917AB [0,2,0,0,0,0|0,0,2]=4 199 B7R0.4 N#CCCCC(=O)O W5958 [0,2,0,0,0,0|0,0,2]=4 200 B7R0.4 NCCCCC(=O)O 9495AB [0,2,0,0,0,0|0,0,2]=4 201 B7R0.4 O=C(O)COCCCl Y5074 [0,2,0,0,0,0|0,0,2]=4 202 B7R0.6 C=C(C)CCC(=O)O 0114AA [0,2,0,0,0,0|0,0,1]=3 203 B7R0.6 CC(=O)CNC(C)=O 2096AC [0,2,0,0,0,0|1,0,1]=4 204 B7R0.6 CC(=O)\C=C\N(C)C 3259AA [0,2,0,0,0,0|1,0,0]=3 205 B7R0.6 CC(C)OCC(=O)O 0549AE [0,2,0,0,0,0|0,0,2]=4 206 B7R0.6 C[S+](C)CCC(=O)O 4030AL [0,2,0,0,0,0|0,0,2]=4 207 B7R0.6 O=C(O)\C=C\C(=O)O X2063 [0,2,0,0,0,0|0,0,1]=3 208 B7R0.6 O=C([O-])\C=C/C(=O)O 8175AL [0,2,0,0,0,0|0,0,1]=3 209 B5R1.2 O=C1CCN1 W9581 [1,0,0,1,0,0|1,0,1]=4 210 B5R1.3 C=CC1CO1 7293AL [1,0,0,1,0,0|1,0,1]=4 211 B5R1.1 C1=CCCC1 7379AF [1,0,0,1,0,0|1,0,1]=4 212 B5R1.1 C1=C[Se]C=C1 9056AJ [1,0,0,1,0,0|0,1,1]=4 213 B7R1.1 NCC1=CC=NO1 6076AB [0,1,0,1,0,0|2,0,0]=4 214 B7R1.1 O=CC1=CC=NS1 7399AB [0,1,0,1,0,0|1,1,0]=4 215 B7R1.1 O=CC1=CCCC1 Z4945 [0,1,0,1,0,0|1,0,1]=4 216 B7R1.1 OCC1=CC=NN1 1603AB [0,1,0,1,0,0|2,0,0]=4 217 B7R1.1 OCC1=NOC=C1 Z5286 [0,1,0,1,0,0|2,0,0]=4 218 B7R1.1 SCC1=CC=CO1 Z5487 [0,1,0,1,0,0|0,1,1]=4 219 B7R1.2 CC1=CC(Br)=NO1 2132AB [0,1,0,1,0,0|1,0,0]=3 220 B7R1.2 CC1=CC(Cl)=NN1 Y7686 [0,1,0,1,0,0|2,0,0]=4 221 B7R1.2 CC1=CC(I)=NN1 5774AC [0,1,0,1,0,0|2,0,0]=4 222 B7R1.2 CC1=CC(N)=NN1 2288AA [0,1,0,1,0,0|2,0,0]=4 223 B7R1.2 CC1=CC=C(C)N1 9441AB [0,1,0,1,0,0|2,0,0]=4 224 B7R1.2 CC1=CC=C(I)S1 Z5470 [0,1,0,1,0,0|1,1,0]=4 225 B7R1.2 CC1=CN=C(Cl)S1 W5507 [0,1,0,1,0,0|1,1,0]=4 226 B7R1.2 CC1=CN=C(I)N1 1451AC [0,1,0,1,0,0|2,0,0]=4 227 B7R1.2 CC1=CNC(Br)=N1 Y8369 [0,1,0,1,0,0|2,0,0]=4 228 B7R1.2 CC1=COC(N)=N1 W5715 [0,1,0,1,0,0|2,0,0]=4 229 B7R1.2 CC1=CSC(Br)=C1 7530AB [0,1,0,1,0,0|1,1,0]=4 230 B7R1.2 CC1=CSC(Br)=N1 W8107 [0,1,0,1,0,0|2,0,0]=4 231 B7R1.2 CC1=CSC(C)=C1 X6352 [0,1,0,1,0,0|1,1,0]=4 232 B7R1.2 CC1=CSC(Cl)=N1 Y8510 [0,1,0,1,0,0|2,0,0]=4 233 B7R1.2 CC1=CSC(N)=N1 9210AB [0,1,0,1,0,0|2,0,0]=4 234 B7R1.2 CC1=NC(Br)=CS1 X4179 [0,1,0,1,0,0|2,0,0]=4 235 B7R1.2 CC1=NC(Br)=NO1 2584AD [0,1,0,1,0,0|2,0,0]=4 236 B7R1.2 CC1=NC(I)=CN1 W8177 [0,1,0,1,0,0|2,0,0]=4 237 B7R1.2 CC1=NC(N)=NO1 5458AB [0,1,0,1,0,0|2,0,0]=4 238 B7R1.2 CC1=NN=C(N)O1 X7978 [0,1,0,1,0,0|2,0,0]=4 239 B7R1.2 CC1=NSC(Br)=C1 0520AB [0,1,0,1,0,0|1,1,0]=4 240 B7R1.2 CC1COC(=O)N1 5156AD [0,1,0,1,0,0|1,0,1]=4 241 B7R1.2 CN1C=C(O)C=N1 Y5106 [0,1,0,1,0,0|2,0,0]=4 242 B7R1.2 CN1C=CC(=O)N1 7479AB [0,1,0,1,0,0|1,0,0]=3 243 B7R1.2 CN1C=CC(Br)=N1 W3298 [0,1,0,1,0,0|2,0,0]=4 244 B7R1.2 CN1C=CC(I)=N1 X5406 [0,1,0,1,0,0|2,0,0]=4 245 B7R1.2 C[C@@H]1COC(=O)N1 5441AB [0,1,0,1,0,0|1,0,1]=4 246 B7R1.2 C[C@H]1COC(=O)N1 5440AB [0,1,0,1,0,0|1,0,1]=4 247 B7R1.2 NC1=CC(=O)NN1 W5121 [0,1,0,1,0,0|2,0,0]=4 248 B7R1.2 NC1=NC(O)=CS1 Z1669 [0,1,0,1,0,0|2,0,0]=4 249 B7R1.2 O=C1CNC(=O)O1 1066AB [0,1,0,1,0,0|1,0,1]=4 250 B7R1.2 O=C1NC(Br)=CS1 1719AA [0,1,0,1,0,0|2,0,0]=4 251 B7R1.2 O=C1OCC(Cl)O1 E933 [0,1,0,1,0,0|1,0,1]=4 252 B7R1.3 O=C1C=CC=CO1 X6757 [0,1,0,1,0,0|0,0,1]=3 253 B7R1.3 O=C1C=COC=C1 1768AA [0,1,0,1,0,0|1,0,1]=4 254 B7R1.3 O=C1COCCO1 3182AB [0,1,0,1,0,0|0,0,2]=4 255 B7R1.3 OC1=CC=NC=C1 8186AJ [0,1,0,1,0,0|1,0,1]=4 256 B7R1.3 OC1=CC=NN=C1 Y3331 [0,1,0,1,0,0|2,0,0]=4 257 B7R1.3 OC1=NC=CC=N1 R414 [0,1,0,1,0,0|1,0,1]=4 258 B7R1.4 CC1=C(Br)C=NO1 0948AC [0,1,0,1,0,0|2,0,0]=4 259 B7R1.4 CC1=C(C)OC=C1 5235AL [0,1,0,1,0,0|1,0,1]=4 260 B7R1.4 CC1CCOC1=O W3659 [0,1,0,1,0,0|0,0,2]=4 261 B7R1.4 CN1N=CC=C1O 3947AB [0,1,0,1,0,0|2,0,0]=4 262 B7R1.4 CN1NC=CC1=O 3785AB [0,1,0,1,0,0|2,0,0]=4 263 B7R1.4 O=C1CCC=C1O X8732 [0,1,0,1,0,0|0,0,1]=3 264 B7R1.4 O=C1OCCC1O 0071AB [0,1,0,1,0,0|0,0,2]=4 265 B7R1.4 O=C1OCC[C@H]1O 8329AB [0,1,0,1,0,0|0,0,2]=4 266 B7R1.4 O=C1O[Ca]OC1=O 6793AF [0,1,0,1,0,0|2,0,0]=4 267 B7R1.4 O=C1O[Fe]OC1=O 6807AF [0,1,0,1,0,0|2,0,0]=4 268 B7R1.4 O=C1O[Fe]OC1=O 6808AF [0,1,0,1,0,0|2,0,0]=4 269 B7R1.22 [C@@H]1(C(=O)OC)CO1 4453AH [0,1,0,1,0,0|1,0,1]=4 270 B7R1.18 O=C(O)C1CCN1 X2014 [0,1,0,1,0,0|0,0,2]=4 271 B7R1.18 O=C(O)C1COC1 X3417 [0,1,0,1,0,0|0,0,2]=4 272 B7R1.18 O=C(O)[C@@H]1CCN1 D297 [0,1,0,1,0,0|0,0,2]=4 273 B7R1.18 O=C(O)[C@H]1CCN1 Z4994 [0,1,0,1,0,0|0,0,2]=4 274 B7R1.19 O=C(O)C1(Br)CC1 4830AC [0,1,0,1,0,0|0,0,2]=4