0 B4R0.1 C(=NO)(Br)Br BC665809 [0,0,0,0,0,0|4,0,0]=4 1 B4R0.1 C(=O)C(=O)O BC207995 [0,0,0,0,0,0|1,0,1]=2 2 B4R0.1 C(=O)C(=O)O BC679582 [0,0,0,0,0,0|1,0,1]=2 3 B4R0.1 C(C(=O)N)N BC679380 [0,0,0,0,0,0|2,0,0]=2 4 B4R0.1 C(C(=O)O)Br BC651357 [0,0,0,0,0,0|1,0,0]=1 5 B4R0.1 C(C(=O)O)N BC204500 [0,0,0,0,0,0|1,0,0]=1 6 B4R0.1 C(C(=O)[O-])S BC223764 [0,0,0,0,0,0|1,0,1]=2 7 B4R0.1 C=C(C#N)Cl BC209246 [0,0,0,0,0,0|3,0,1]=4 8 B4R0.1 C=C[N+](=O)[O-] BC245163 [0,0,0,0,0,0|1,0,3]=4 9 B4R0.1 CC(=O)CBr BC253377 [0,0,0,0,0,0|2,0,0]=2 10 B4R0.1 CC(=O)CN BC220002 [0,0,0,0,0,0|2,0,0]=2 11 B4R0.1 CC(=O)NN BC211460 [0,0,0,0,0,0|3,0,0]=3 12 B4R0.1 CC(C#C)O BC220409 [0,0,0,0,0,0|1,0,3]=4 13 B4R0.1 CCC(=O)Cl BC658482 [0,0,0,0,0,0|1,0,0]=1 14 B4R0.1 CC[C@@H](C)N BC678458 [0,0,0,0,0,0|2,0,1]=3 15 B4R0.1 COC(=O)Cl BC225650 [0,0,0,0,0,0|2,0,0]=2 16 B4R0.1 COC(=O)N BC219589 [0,0,0,0,0,0|2,0,0]=2 17 B4R0.1 C[C@@H](CN)N BC200223 [0,0,0,0,0,0|3,0,1]=4 18 B4R0.1 C[C@@H](CO)N BC678138 [0,0,0,0,0,0|3,0,1]=4 19 B4R0.1 C[C@H](CN)N BC202234 [0,0,0,0,0,0|3,0,1]=4 20 B4R0.1 C[C@H](CN)O BC203537 [0,0,0,0,0,0|2,0,1]=3 21 B3R0.1 C#CC=O BC221012 [1,0,0,0,0,0|0,0,2]=3 22 B3R0.1 C#CCN BC205260 [1,0,0,0,0,0|2,0,1]=4 23 B3R0.1 C#CCN BC652391 [1,0,0,0,0,0|2,0,1]=4 24 B3R0.1 C(C#N)N BC226079 [1,0,0,0,0,0|2,0,1]=4 25 B3R0.1 C(C#N)N BC251564 [1,0,0,0,0,0|2,0,1]=4 26 B3R0.1 C(CBr)F BC202042 [1,0,0,0,0,0|2,0,1]=4 27 B3R0.1 C(CBr)O BC207410 [1,0,0,0,0,0|1,0,1]=3 28 B3R0.1 C(CCl)N BC209331 [1,0,0,0,0,0|2,0,1]=4 29 B3R0.1 C(CO)N BC202305 [1,0,0,0,0,0|1,0,1]=3 30 B3R0.1 C(CS)N BC214793 [1,0,0,0,0,0|1,1,1]=4 31 B3R0.1 C=CCO BC201967 [1,0,0,0,0,0|2,0,0]=3 32 B3R0.1 CNOC BC205383 [1,0,0,0,0,0|3,0,0]=4 33 B3R0.2 C(=N)(N)N BC211195 [1,0,0,0,0,0|3,0,0]=4 34 B3R0.2 C(=N)(N)N BC211196 [1,0,0,0,0,0|3,0,0]=4 35 B3R0.2 C(=O)([O-])[O-] BC677659 [1,0,0,0,0,0|1,0,1]=3 36 B3R0.2 C(=S)(Cl)Cl BC654182 [1,0,0,0,0,0|2,1,0]=4 37 B3R0.2 CC(=N)N BC207082 [1,0,0,0,0,0|2,0,0]=3 38 B3R0.2 CC(=O)O BC253535 [1,0,0,0,0,0|0,0,0]=1 39 B3R0.2 CC(=O)[O-] BC213306 [1,0,0,0,0,0|0,0,1]=2 40 B3R0.2 CC(=O)[O-] BC657511 [1,0,0,0,0,0|0,0,1]=2 41 B3R0.2 CC(=O)[O-] BC666701 [1,0,0,0,0,0|0,0,1]=2 42 B5R0.1 C(CBr)C(Br)Br BC677946 [0,1,0,0,0,0|2,0,1]=4 43 B5R0.1 C(CN)C(=O)O BC219368 [0,1,0,0,0,0|0,0,0]=1 44 B5R0.1 C(CS)C(=O)O BC226809 [0,1,0,0,0,0|0,0,0]=1 45 B5R0.1 CC(=CCBr)C BC211224 [0,1,0,0,0,0|2,0,1]=4 46 B5R0.1 CC(=O)\C=N/O BC671081 [0,1,0,0,0,0|2,0,1]=4 47 B5R0.1 CCCC(=[NH2+])N BC202602 [0,1,0,0,0,0|2,0,0]=3 48 B5R0.1 CCOC(=O)Cl BC222115 [0,1,0,0,0,0|1,0,0]=2 49 B5R0.1 CN(C)CCCl BC226043 [0,1,0,0,0,0|3,0,0]=4 50 B5R0.1 CSCC(=N)N BC223707 [0,1,0,0,0,0|2,0,0]=3 51 B5R0.1 C[C@H](CCO)O BC655806 [0,1,0,0,0,0|1,0,1]=3 52 B5R0.1 C\C=C\C(=O)O BC206359 [0,1,0,0,0,0|0,0,1]=2 53 B5R0.3 C(C(=O)CO)O BC200545 [0,1,0,0,0,0|1,0,0]=2 54 B5R0.3 C(C(CCl)O)O BC204241 [0,1,0,0,0,0|1,0,2]=4 55 B5R0.3 C(C(CN)O)N BC203604 [0,1,0,0,0,0|2,0,1]=4 56 B5R0.3 C(C(CO)O)N BC204240 [0,1,0,0,0,0|1,0,2]=4 57 B5R0.3 C(C(CS)O)O BC222900 [0,1,0,0,0,0|1,0,2]=4 58 B5R0.3 C([C@@H](CO)O)N BC206909 [0,1,0,0,0,0|1,0,2]=4 59 B5R0.3 C([C@@H](CO)O)N BC650721 [0,1,0,0,0,0|1,0,2]=4 60 B5R0.3 CCC(CO)N BC203737 [0,1,0,0,0,0|1,0,1]=3 61 B5R0.3 COC(=O)C=C BC222749 [0,1,0,0,0,0|0,0,2]=3 62 B5R0.3 COC(=O)C=O BC202567 [0,1,0,0,0,0|1,0,1]=3 63 B5R0.3 COC(=O)CN BC215108 [0,1,0,0,0,0|1,0,0]=2 64 B5R0.3 COC(=O)OC BC205807 [0,1,0,0,0,0|1,0,0]=2 65 B5R0.4 CCS(=O)(=O)N BC243556 [0,1,0,0,0,0|1,0,1]=3 66 B5R0.4 CNS(=O)(=O)C BC205544 [0,1,0,0,0,0|2,0,1]=4 67 B5R0.4 CNS(=O)(=O)Cl BC221005 [0,1,0,0,0,0|2,0,1]=4 68 B5R0.5 CC(=C)C(=O)Cl BC216466 [0,1,0,0,0,0|1,0,1]=3 69 B5R0.5 CC(=C)C(=O)O BC675577 [0,1,0,0,0,0|0,0,1]=2 70 B5R0.5 CC(=O)C(=O)O BC216002 [0,1,0,0,0,0|0,0,1]=2 71 B5R0.5 CC(=O)C(=O)[O-] BC630684 [0,1,0,0,0,0|0,0,2]=3 72 B5R0.5 CC(=O)N(C)C BC204203 [0,1,0,0,0,0|2,0,0]=3 73 B5R0.5 CC(C(=O)C)Br BC202460 [0,1,0,0,0,0|1,0,0]=2 74 B5R0.5 CC(C(=O)O)Br BC226871 [0,1,0,0,0,0|0,0,0]=1 75 B5R0.5 CC(C)N(=O)=O BC224337 [0,1,0,0,0,0|1,0,1]=3 76 B5R0.5 CN(C(=S)N)N BC213199 [0,1,0,0,0,0|2,1,0]=4 77 B5R0.5 C[C@@H](C(=O)N)N BC678137 [0,1,0,0,0,0|1,0,0]=2 78 B5R0.5 C[C@@H](C(=O)O)N BC677968 [0,1,0,0,0,0|0,0,0]=1 79 B5R0.5 C[C@@H](C(=O)O)O BC207702 [0,1,0,0,0,0|0,0,0]=1 80 B5R1.2 C1C(=O)CN1 BC653134 [0,0,0,1,0,0|2,0,0]=3 81 B5R1.2 C1C(=O)CO1 BC254016 [0,0,0,1,0,0|2,0,0]=3 82 B5R1.2 C1C(=O)CS1 BC669058 [0,0,0,1,0,0|2,0,0]=3 83 B5R1.2 C1C(CN1)O BC202769 [0,0,0,1,0,0|2,0,1]=4 84 B5R1.2 C1C(CN1)O BC225998 [0,0,0,1,0,0|2,0,1]=4 85 B5R1.2 C1C(CO1)O BC683706 [0,0,0,1,0,0|2,0,1]=4 86 B5R1.2 C1CC(=O)C1 BC209625 [0,0,0,1,0,0|1,0,0]=2 87 B5R1.2 C1CC(C1)O BC202494 [0,0,0,1,0,0|1,0,1]=3 88 B5R1.3 C1C(O1)CCl BC226808 [0,0,0,1,0,0|2,0,1]=4 89 B5R1.3 C1C(O1)CCl BC263420 [0,0,0,1,0,0|2,0,1]=4 90 B5R1.3 C1[C@@H](O1)CCl BC213453 [0,0,0,1,0,0|2,0,1]=4 91 B5R1.3 C1[C@H](O1)CO BC213455 [0,0,0,1,0,0|2,0,1]=4 92 B2R0.1 CSC BC658588 [2,0,0,0,0,0|1,0,1]=4 93 B4R0.2 C#CCCO BC208885 [1,1,0,0,0,0|0,0,2]=4 94 B4R0.2 C(CF)CBr BC676334 [1,1,0,0,0,0|1,0,1]=4 95 B4R0.2 C(CN)CBr BC209330 [1,1,0,0,0,0|1,0,1]=4 96 B4R0.2 C(CN)CCl BC200221 [1,1,0,0,0,0|1,0,1]=4 97 B4R0.2 C(CO)C#N BC676633 [1,1,0,0,0,0|0,0,2]=4 98 B4R0.2 C(CO)CBr BC209634 [1,1,0,0,0,0|0,0,1]=3 99 B4R0.2 C(CO)CO BC206060 [1,1,0,0,0,0|0,0,1]=3 100 B4R0.2 CCCC#N BC207705 [1,1,0,0,0,0|1,0,1]=4 101 B4R0.2 CCOC=C BC208832 [1,1,0,0,0,0|1,0,0]=3 102 B4R0.2 CC[NH2+]CC BC620750 [1,1,0,0,0,0|1,0,1]=4 103 B4R0.2 CNCC#C BC214336 [1,1,0,0,0,0|1,0,1]=4 104 B4R0.2 CSCC=O BC296573 [1,1,0,0,0,0|0,0,0]=2 105 B4R0.2 C\C=C\CN BC220709 [1,1,0,0,0,0|1,0,1]=4 106 B4R0.3 CS(=O)(=O)Cl BC225692 [1,1,0,0,0,0|1,0,1]=4 107 B4R0.3 CS(=O)(=O)N BC207921 [1,1,0,0,0,0|1,0,1]=4 108 B4R0.3 OP(=O)([O-])[O-] BC667611 [1,1,0,0,0,0|2,0,0]=4 109 B4R0.3 O[W](=O)(=O)O BC204521 [1,1,0,0,0,0|2,0,0]=4 110 B6R0.1 C(C(=O)NCO)Cl BC214951 [0,2,0,0,0,0|1,0,0]=3 111 B6R0.1 C(CO)[C@@H](CO)O BC206874 [0,2,0,0,0,0|0,0,2]=4 112 B6R0.1 CCOC(=O)C#C BC219557 [0,2,0,0,0,0|1,0,0]=3 113 B6R0.1 CCOC(=O)C=O BC222485 [0,2,0,0,0,0|0,0,1]=3 114 B6R0.1 CCOC(=O)CBr BC206664 [0,2,0,0,0,0|1,0,0]=3 115 B6R0.1 CCOC(=O)CN BC676695 [0,2,0,0,0,0|1,0,0]=3 116 B6R0.1 CCOC(=O)NO BC202244 [0,2,0,0,0,0|0,0,0]=2 117 B6R0.1 COC(=O)CCS BC219495 [0,2,0,0,0,0|0,0,0]=2 118 B6R0.1 COC[C@H](CO)N BC206377 [0,2,0,0,0,0|1,0,1]=4 119 B6R0.2 CC(=CC(=O)O)C BC200231 [0,2,0,0,0,0|0,0,1]=3 120 B6R0.2 CC(C)CC(=O)O BC677309 [0,2,0,0,0,0|0,0,0]=2 121 B6R0.2 CC(CC(=O)O)N BC233414 [0,2,0,0,0,0|0,0,0]=2 122 B6R0.2 CC(CC(=O)O)N BC675902 [0,2,0,0,0,0|0,0,0]=2 123 B6R0.2 CC(OC(=O)C)Br BC650646 [0,2,0,0,0,0|1,0,0]=3 124 B6R0.2 CN(C)CC(=O)Cl BC252135 [0,2,0,0,0,0|1,0,0]=3 125 B6R0.2 C[C@@H](CC(=O)O)N BC227921 [0,2,0,0,0,0|0,0,0]=2 126 B6R0.2 C[C@H](CC(=O)O)N BC677178 [0,2,0,0,0,0|0,0,0]=2 127 B6R0.2 C\C(=C\C(=O)C)\[O-] BC213287 [0,2,0,0,0,0|1,0,1]=4 128 B6R0.2 C\C(=C\C(=O)C)\[O-] BC213310 [0,2,0,0,0,0|1,0,1]=4 129 B6R0.3 C(C(=O)C(=O)O)Br BC213512 [0,2,0,0,0,0|0,0,1]=3 130 B6R0.3 C(C(C(=O)O)N)N BC202898 [0,2,0,0,0,0|0,0,0]=2 131 B6R0.3 C(C(C(=O)O)N)O BC205416 [0,2,0,0,0,0|0,0,0]=2 132 B6R0.3 C([C@@H](C(=O)O)N)O BC676679 [0,2,0,0,0,0|0,0,0]=2 133 B6R0.3 C([C@@H](C(=O)O)N)S BC205188 [0,2,0,0,0,0|0,0,0]=2 134 B6R0.3 C([C@@H](C(=O)O)N)S BC679165 [0,2,0,0,0,0|0,0,0]=2 135 B6R0.3 C([C@@H](C(=O)O)O)N BC210645 [0,2,0,0,0,0|0,0,0]=2 136 B6R0.3 C([C@H](C(=O)O)N)O BC676713 [0,2,0,0,0,0|0,0,0]=2 137 B6R0.3 C([C@H](C(=O)O)N)S BC677524 [0,2,0,0,0,0|0,0,0]=2 138 B6R0.3 C=C[C@@H](C(=O)O)N BC280882 [0,2,0,0,0,0|0,0,1]=3 139 B6R0.3 C=C[C@H](C(=O)O)N BC640608 [0,2,0,0,0,0|0,0,1]=3 140 B6R0.3 CC(=C)C(=O)OC BC222747 [0,2,0,0,0,0|0,0,1]=3 141 B6R0.3 CC(=O)C(=O)CBr BC241276 [0,2,0,0,0,0|1,0,1]=4 142 B6R0.3 CC(=O)N(C)OC BC210650 [0,2,0,0,0,0|2,0,0]=4 143 B6R0.3 CC(C)C(=O)NN BC222284 [0,2,0,0,0,0|1,0,0]=3 144 B6R0.3 CC[C@@H](C(=O)N)N BC209264 [0,2,0,0,0,0|1,0,0]=3 145 B6R0.3 CC[C@@H](C(=O)O)N BC221729 [0,2,0,0,0,0|0,0,0]=2 146 B6R0.3 CC[C@H](C(=O)O)N BC681077 [0,2,0,0,0,0|0,0,0]=2 147 B6R0.3 CN(C)C(=O)CCl BC208319 [0,2,0,0,0,0|2,0,0]=4 148 B6R0.3 COC(=O)C(=C)F BC219448 [0,2,0,0,0,0|0,0,2]=4 149 B6R0.3 C\C=C(/C)\C(=O)O BC206708 [0,2,0,0,0,0|0,0,1]=3 150 B6R0.4 C(CC(=O)O)C#N BC670380 [0,2,0,0,0,0|0,0,0]=2 151 B6R0.4 C(CC(=O)O)CBr BC219750 [0,2,0,0,0,0|0,0,0]=2 152 B6R0.4 C(CC(=O)O)CN BC204189 [0,2,0,0,0,0|0,0,0]=2 153 B6R0.4 C(\C=C\C(=O)O)O BC224091 [0,2,0,0,0,0|0,0,1]=3 154 B6R0.4 C=CCCC(=O)O BC678220 [0,2,0,0,0,0|0,0,0]=2 155 B6R0.4 C=CCOC(=O)Cl BC676725 [0,2,0,0,0,0|1,0,1]=4 156 B6R0.4 CC(=O)OCC=C BC219433 [0,2,0,0,0,0|1,0,1]=4 157 B6R0.4 CC(=O)OCCBr BC677702 [0,2,0,0,0,0|1,0,0]=3 158 B6R0.5 C(CCl)P(=O)(O)O BC684950 [0,2,0,0,0,0|1,0,0]=3 159 B6R0.5 C(CS(=O)(=O)N)N BC222247 [0,2,0,0,0,0|1,0,1]=4 160 B6R0.5 C(CS(=O)(=O)O)O BC200411 [0,2,0,0,0,0|1,0,0]=3 161 B6R0.5 CS(=O)(=O)CCN BC685474 [0,2,0,0,0,0|1,0,1]=4 162 B6R0.8 CCC(C)(C)O[Na] BC210928 [0,2,0,0,0,0|1,0,1]=4 163 B6R0.7 CC(C)(C(=O)Br)Br BC652594 [0,2,0,0,0,0|1,0,0]=3 164 B6R0.7 CC(C)(C(=O)O)Br BC213511 [0,2,0,0,0,0|0,0,0]=2 165 B6R0.7 CC(C)(C(=O)O)N BC206959 [0,2,0,0,0,0|0,0,0]=2 166 B6R0.7 CC(C)(C(=O)O)O BC206613 [0,2,0,0,0,0|0,0,0]=2 167 B6R0.7 CC(C)(C)C(=N)N BC231570 [0,2,0,0,0,0|2,0,0]=4 168 B6R0.7 CC(C)(C)C(=O)O BC207643 [0,2,0,0,0,0|0,0,0]=2 169 B6R0.7 CC(C)(C)[N+](=O)[O-] BC215812 [0,2,0,0,0,0|1,0,1]=4 170 B6R0.7 CC(C)(C)[S@](=O)N BC215015 [0,2,0,0,0,0|2,0,0]=4 171 B4R1.1 C1CNC1 BC685625 [1,0,0,1,0,0|1,0,1]=4 172 B4R1.2 C1CC1Br BC685351 [1,0,0,1,0,0|1,0,1]=4 173 B4R1.2 C1CC1Cl BC650748 [1,0,0,1,0,0|1,0,1]=4 174 B4R1.2 C[C@@H]1CO1 BC226271 [1,0,0,1,0,0|0,0,1]=3 175 B6R1.2 C1C(=O)O[Pt]O1 BC679461 [0,1,0,1,0,0|1,0,0]=3 176 B6R1.2 C1C=CC(=O)O1 BC201413 [0,1,0,1,0,0|0,0,1]=3 177 B6R1.2 C1CC(=O)C=C1 BC652225 [0,1,0,1,0,0|1,0,0]=3 178 B6R1.2 C1CC(=O)NC1 BC225697 [0,1,0,1,0,0|1,0,0]=3 179 B6R1.2 C1CNC(=O)N1 BC202712 [0,1,0,1,0,0|1,0,0]=3 180 B6R1.2 C1CNCC1=O BC208274 [0,1,0,1,0,0|1,0,0]=3 181 B6R1.2 C1CNCC1O BC208993 [0,1,0,1,0,0|1,0,1]=4 182 B6R1.2 C1CNC[C@@H]1O BC677867 [0,1,0,1,0,0|1,0,1]=4 183 B6R1.2 C1CNC[C@@H]1O BC678742 [0,1,0,1,0,0|1,0,1]=4 184 B6R1.2 C1CNC[C@H]1O BC201989 [0,1,0,1,0,0|1,0,1]=4 185 B6R1.2 C1CNC[C@H]1O BC677872 [0,1,0,1,0,0|1,0,1]=4 186 B6R1.2 C1COCC1=O BC244549 [0,1,0,1,0,0|0,0,0]=2 187 B6R1.2 C1COCC1O BC201032 [0,1,0,1,0,0|0,0,2]=4 188 B6R1.2 C1COC[C@@H]1N BC675401 [0,1,0,1,0,0|1,0,1]=4 189 B6R1.2 C1COC[C@@H]1O BC678095 [0,1,0,1,0,0|0,0,2]=4 190 B6R1.2 C1COC[C@H]1N BC213397 [0,1,0,1,0,0|1,0,1]=4 191 B6R1.2 C1COC[C@H]1O BC206872 [0,1,0,1,0,0|0,0,2]=4 192 B6R1.2 C1COC[C@H]1O BC623081 [0,1,0,1,0,0|0,0,2]=4 193 B6R1.2 C1COS(=O)O1 BC201343 [0,1,0,1,0,0|1,0,0]=3 194 B6R1.2 C1CSC(=N1)N BC216465 [0,1,0,1,0,0|1,1,0]=4 195 B6R1.2 CC1CCCO1 BC205640 [0,1,0,1,0,0|1,0,1]=4 196 B6R1.5 C1[C@@H](C[C@@H]1N)O BC295270 [0,1,0,1,0,0|1,0,1]=4 197 B6R1.11 B(C1CC1)(O)O BC220728 [0,1,0,1,0,0|1,0,1]=4 198 B6R1.11 C1C(O1)C(=O)O BC224303 [0,1,0,1,0,0|0,0,0]=2 199 B6R1.11 C1CC1C(=N)N BC210033 [0,1,0,1,0,0|2,0,0]=4 200 B6R1.6 C1CC(C1)CO BC220546 [0,1,0,1,0,0|1,0,1]=4 201 B6R1.7 C1CC1(CO)N BC205795 [0,1,0,1,0,0|1,0,1]=4 202 B6R1.7 C1CC1(CO)N BC256231 [0,1,0,1,0,0|1,0,1]=4