0 B6R0.2 CC(=CC(=O)O)C BC200231 [0,0,0,0,0,0|1,0,2]=3 1 B6R0.2 CC(=O)NC(=N)N BC652251 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.2 CC(C)CC(=O)O BC677309 [0,0,0,0,0,0|1,0,0]=1 3 B6R0.2 CC(CC(=O)O)N BC233414 [0,0,0,0,0,0|2,0,0]=2 4 B6R0.2 CC(CC(=O)O)N BC675902 [0,0,0,0,0,0|2,0,0]=2 5 B6R0.2 CC(CN(C)C)Cl BC214983 [0,0,0,0,0,0|2,0,1]=3 6 B6R0.2 CC(CN(C)C)N BC600236 [0,0,0,0,0,0|2,0,1]=3 7 B6R0.2 CC(CN(C)C)N BC640377 [0,0,0,0,0,0|2,0,1]=3 8 B6R0.2 CC(OC(=O)C)Br BC650646 [0,0,0,0,0,0|2,0,0]=2 9 B6R0.2 CN(C)CC(=O)Cl BC252135 [0,0,0,0,0,0|2,0,0]=2 10 B6R0.2 C[C@@H](CC(=O)O)N BC227921 [0,0,0,0,0,0|2,0,0]=2 11 B6R0.2 C[C@H](CC(=O)O)N BC677178 [0,0,0,0,0,0|2,0,0]=2 12 B6R0.2 C\C(=C\C(=O)C)\[O-] BC213287 [0,0,0,0,0,0|1,0,2]=3 13 B6R0.2 C\C(=C\C(=O)C)\[O-] BC213310 [0,0,0,0,0,0|1,0,2]=3 14 B5R0.1 C(CN)C(=O)O BC219368 [1,0,0,0,0,0|2,0,0]=3 15 B5R0.1 C(CS)C(=O)O BC226809 [1,0,0,0,0,0|2,0,0]=3 16 B5R0.1 CC(=CCBr)C BC211224 [1,0,0,0,0,0|2,0,1]=4 17 B5R0.1 CC(=O)\C=N/O BC671081 [1,0,0,0,0,0|2,0,1]=4 18 B5R0.1 CC(C)N=C=O BC226288 [1,0,0,0,0,0|1,0,1]=3 19 B5R0.1 CCCC(=[NH2+])N BC202602 [1,0,0,0,0,0|2,0,0]=3 20 B5R0.1 CCOC(=O)Cl BC222115 [1,0,0,0,0,0|2,0,0]=3 21 B5R0.1 CN(C)CCCl BC226043 [1,0,0,0,0,0|2,0,1]=4 22 B5R0.1 CSCC(=N)N BC223707 [1,0,0,0,0,0|3,0,0]=4 23 B5R0.1 C[C@H](CCO)O BC655806 [1,0,0,0,0,0|1,0,2]=4 24 B5R0.1 C\C=C\C(=O)O BC206359 [1,0,0,0,0,0|1,0,2]=4 25 B7R0.2 CC(C)C[C@@H](CO)N BC205071 [0,1,0,0,0,0|1,0,1]=3 26 B7R0.2 CCC(C)CC(C)C BC677965 [0,1,0,0,0,0|1,0,1]=3 27 B7R0.2 CC[C@@H](C)CC(=O)O BC223684 [0,1,0,0,0,0|1,0,0]=2 28 B7R0.2 CC[C@H](C)CC(=O)O BC676870 [0,1,0,0,0,0|1,0,0]=2 29 B7R0.2 CC[C@H](CC(=O)O)N BC227919 [0,1,0,0,0,0|2,0,0]=3 30 B7R0.2 CN(C)CC(CO)O BC226763 [0,1,0,0,0,0|1,0,2]=4 31 B7R0.2 COC(=O)CC(=O)Cl BC202267 [0,1,0,0,0,0|2,0,1]=4 32 B7R0.2 C[C@@H](CC(=O)OC)O BC228164 [0,1,0,0,0,0|1,0,0]=2 33 B7R0.9 C(C(=O)O)C(F)(F)F BC207572 [0,1,0,0,0,0|3,0,0]=4 34 B7R0.9 CC(=O)OC(C)(C)C BC207665 [0,1,0,0,0,0|1,0,0]=2 35 B7R0.9 CC(C)(C)CC(=O)Cl BC679579 [0,1,0,0,0,0|1,0,0]=2 36 B7R0.9 CC(C)(C)CC(=O)O BC200722 [0,1,0,0,0,0|1,0,0]=2 37 B7R0.9 CC(C)(CC(=O)O)N BC680642 [0,1,0,0,0,0|1,0,0]=2 38 B7R0.9 CC(O)C[C@@](O)(C)C BC206685 [0,1,0,0,0,0|0,0,2]=3 39 B7R0.9 C[N+](C)(C)CC(=O)[O-] BC653158 [0,1,0,0,0,0|2,0,0]=3 40 B7R0.16 C[C@H]([C@@H](C(=O)O)N)O BC676678 [0,1,0,0,0,0|2,0,0]=3 41 B7R0.16 C[C@H]([C@H](C(=O)O)N)O BC678605 [0,1,0,0,0,0|2,0,0]=3 42 B7R1.2 C1CC(=O)OC1=O BC676904 [0,0,0,1,0,0|2,0,1]=4 43 B7R1.2 C1C[C@@H](C[C@H]1N)O BC243140 [0,0,0,1,0,0|1,0,2]=4 44 B7R1.2 C1C[C@H](C[C@@H]1N)O BC666823 [0,0,0,1,0,0|1,0,2]=4 45 B7R1.2 C1C[C@H](C[C@H]1N)O BC243224 [0,0,0,1,0,0|1,0,2]=4 46 B7R1.2 C1[C@@H](CNC1=O)O BC206869 [0,0,0,1,0,0|2,0,0]=3 47 B7R1.2 C1[C@H](CNC1=O)O BC676893 [0,0,0,1,0,0|2,0,0]=3 48 B7R1.2 CC1=CC(=O)CC1 BC243785 [0,0,0,1,0,0|0,0,2]=3 49 B7R1.2 CC1=CCC(=O)O1 BC205542 [0,0,0,1,0,0|1,0,2]=4 50 B7R1.2 CC1=NNC(=O)C1 BC649952 [0,0,0,1,0,0|2,0,1]=4 51 B7R1.2 CN1CCC(C1)O BC202129 [0,0,0,1,0,0|1,0,2]=4 52 B7R1.2 CN1CC[C@H](C1)N BC208658 [0,0,0,1,0,0|2,0,1]=4 53 B7R1.20 C1CC1CC(=O)O BC205620 [0,0,0,1,0,0|1,0,0]=2 54 B5R0.5 CC(=C)C(=O)Cl BC216466 [0,0,0,0,1,0|1,0,2]=4 55 B5R0.5 CC(=C)C(=O)O BC675577 [0,0,0,0,1,0|1,0,2]=4 56 B5R0.5 CC(=O)C(=O)O BC216002 [0,0,0,0,1,0|2,0,1]=4 57 B5R0.5 CC(=O)C(=O)[O-] BC630684 [0,0,0,0,1,0|2,0,1]=4 58 B5R0.5 CC(=O)N(C)C BC204203 [0,0,0,0,1,0|1,0,0]=2 59 B5R0.5 CC(C(=O)C)Br BC202460 [0,0,0,0,1,0|1,0,0]=2 60 B5R0.5 CC(C(=O)O)Br BC226871 [0,0,0,0,1,0|2,0,0]=3 61 B5R0.5 CC(C)N(=O)=O BC224337 [0,0,0,0,1,0|2,0,0]=3 62 B5R0.5 C[C@@H](C(=O)N)N BC678137 [0,0,0,0,1,0|2,0,0]=3 63 B5R0.5 C[C@@H](C(=O)O)N BC677968 [0,0,0,0,1,0|2,0,0]=3 64 B5R0.5 C[C@@H](C(=O)O)O BC207702 [0,0,0,0,1,0|2,0,0]=3 65 B7R0.6 CC(=O)CCC(=O)C BC676318 [0,0,0,0,0,1|1,0,1]=3 66 B7R0.6 CC(=O)CCC(=O)O BC216409 [0,0,0,0,0,1|2,0,1]=4 67 B7R0.6 CC(=O)CNC(=O)C BC220001 [0,0,0,0,0,1|1,0,1]=3 68 B7R0.6 CC(C)COC(=O)Cl BC226048 [0,0,0,0,0,1|1,0,0]=2 69 B7R0.6 C[S+](C)CCC(=O)O BC215874 [0,0,0,0,0,1|2,0,0]=3 70 B4R0.1 C(C(=O)N)N BC679380 [2,0,0,0,0,0|2,0,0]=4 71 B4R0.1 C(C(=O)O)Br BC651357 [2,0,0,0,0,0|2,0,0]=4 72 B4R0.1 C(C(=O)O)N BC204500 [2,0,0,0,0,0|2,0,0]=4 73 B4R0.1 C(C(=O)[O-])S BC223764 [2,0,0,0,0,0|2,0,0]=4 74 B4R0.1 CC(=O)CBr BC253377 [2,0,0,0,0,0|1,0,0]=3 75 B4R0.1 CC(=O)CN BC220002 [2,0,0,0,0,0|1,0,0]=3 76 B4R0.1 CC(=O)NN BC211460 [2,0,0,0,0,0|2,0,0]=4 77 B4R0.1 CCC(=O)Cl BC658482 [2,0,0,0,0,0|1,0,0]=3 78 B4R0.1 CC[C@@H](C)N BC678458 [2,0,0,0,0,0|1,0,0]=3 79 B4R0.1 CN(C)C=O BC206707 [2,0,0,0,0,0|1,0,0]=3 80 B4R0.1 COC(=O)Cl BC225650 [2,0,0,0,0,0|2,0,0]=4 81 B4R0.1 COC(=O)N BC219589 [2,0,0,0,0,0|2,0,0]=4 82 B4R0.1 C[C@@H](CN)N BC200223 [2,0,0,0,0,0|2,0,0]=4 83 B4R0.1 C[C@@H](CO)N BC678138 [2,0,0,0,0,0|1,0,1]=4 84 B4R0.1 C[C@H](CN)N BC202234 [2,0,0,0,0,0|2,0,0]=4 85 B4R0.1 C[C@H](CN)O BC203537 [2,0,0,0,0,0|2,0,0]=4 86 B4R0.2 CCCC#N BC207705 [2,0,0,0,0,0|1,0,1]=4 87 B4R0.2 CCOC=C BC208832 [2,0,0,0,0,0|1,0,1]=4 88 B4R0.2 CC[NH2+]CC BC620750 [2,0,0,0,0,0|1,0,1]=4 89 B4R0.2 CSCC=O BC296573 [2,0,0,0,0,0|1,0,0]=3 90 B4R0.2 C\C=C\CN BC220709 [2,0,0,0,0,0|1,0,1]=4 91 B6R0.1 C(C(=O)NCO)Cl BC214951 [1,1,0,0,0,0|2,0,0]=4 92 B6R0.1 CCOC(=O)C#C BC219557 [1,1,0,0,0,0|1,0,1]=4 93 B6R0.1 CCOC(=O)C=O BC222485 [1,1,0,0,0,0|1,0,1]=4 94 B6R0.1 CCOC(=O)CBr BC206664 [1,1,0,0,0,0|1,0,0]=3 95 B6R0.1 CCOC(=O)CN BC676695 [1,1,0,0,0,0|1,0,0]=3 96 B6R0.1 CCOC(=O)NO BC202244 [1,1,0,0,0,0|2,0,0]=4 97 B6R0.1 COC(=O)CCS BC219495 [1,1,0,0,0,0|1,0,0]=3 98 B6R0.1 COC[C@H](CO)N BC206377 [1,1,0,0,0,0|2,0,0]=4 99 B6R0.3 C(C(C(=O)O)N)N BC202898 [1,1,0,0,0,0|2,0,0]=4 100 B6R0.3 C(C(C(=O)O)N)O BC205416 [1,1,0,0,0,0|2,0,0]=4 101 B6R0.3 C([C@@H](C(=O)O)N)O BC676679 [1,1,0,0,0,0|2,0,0]=4 102 B6R0.3 C([C@@H](C(=O)O)N)S BC205188 [1,1,0,0,0,0|2,0,0]=4 103 B6R0.3 C([C@@H](C(=O)O)N)S BC679165 [1,1,0,0,0,0|2,0,0]=4 104 B6R0.3 C([C@@H](C(=O)O)O)N BC210645 [1,1,0,0,0,0|2,0,0]=4 105 B6R0.3 C([C@H](C(=O)O)N)O BC676713 [1,1,0,0,0,0|2,0,0]=4 106 B6R0.3 C([C@H](C(=O)O)N)S BC677524 [1,1,0,0,0,0|2,0,0]=4 107 B6R0.3 CC(=O)C(=O)CBr BC241276 [1,1,0,0,0,0|1,0,1]=4 108 B6R0.3 CC(=O)N(C)OC BC210650 [1,1,0,0,0,0|2,0,0]=4 109 B6R0.3 CC[C@@H](C(=O)N)N BC209264 [1,1,0,0,0,0|1,0,0]=3 110 B6R0.3 CC[C@@H](C(=O)O)N BC221729 [1,1,0,0,0,0|1,0,0]=3 111 B6R0.3 CC[C@H](C(=O)O)N BC681077 [1,1,0,0,0,0|1,0,0]=3 112 B6R0.4 C(CC(=O)O)C#N BC670380 [1,1,0,0,0,0|1,0,1]=4 113 B6R0.4 C(CC(=O)O)CBr BC219750 [1,1,0,0,0,0|1,0,0]=3 114 B6R0.4 C(CC(=O)O)CN BC204189 [1,1,0,0,0,0|1,0,0]=3 115 B6R0.4 C=CCCC(=O)O BC678220 [1,1,0,0,0,0|1,0,1]=4 116 B6R0.4 CC(=O)OCC=C BC219433 [1,1,0,0,0,0|0,0,2]=4 117 B6R0.4 CC(=O)OCCBr BC677702 [1,1,0,0,0,0|1,0,0]=3 118 B6R0.4 CC(C)CCCBr BC219799 [1,1,0,0,0,0|0,0,1]=3 119 B6R0.4 CN(C)CCCBr BC201788 [1,1,0,0,0,0|1,0,1]=4 120 B6R0.4 CN(C)CCCBr BC600124 [1,1,0,0,0,0|1,0,1]=4 121 B6R0.4 CN(C)CCCCl BC225643 [1,1,0,0,0,0|1,0,1]=4 122 B6R0.4 CN(C)CCCCl BC675427 [1,1,0,0,0,0|1,0,1]=4 123 B6R0.4 CN(C)CCCN BC206138 [1,1,0,0,0,0|1,0,1]=4 124 B6R0.4 CN(C)CCCO BC210758 [1,1,0,0,0,0|1,0,1]=4 125 B6R0.5 CC(C)(CCO)N BC218643 [1,1,0,0,0,0|0,0,2]=4 126 B6R0.5 CS(=O)(=O)CCN BC685474 [1,1,0,0,0,0|2,0,0]=4 127 B6R0.7 CC(C)(C(=O)Br)Br BC652594 [0,1,0,0,1,0|1,0,0]=3 128 B6R0.7 CC(C)(C(=O)O)Br BC213511 [0,1,0,0,1,0|1,0,0]=3 129 B6R0.7 CC(C)(C(=O)O)N BC206959 [0,1,0,0,1,0|1,0,0]=3 130 B6R0.7 CC(C)(C(=O)O)O BC206613 [0,1,0,0,1,0|1,0,0]=3 131 B6R0.7 CC(C)(C)C(=N)N BC231570 [0,1,0,0,1,0|2,0,0]=4 132 B6R0.7 CC(C)(C)C(=O)O BC207643 [0,1,0,0,1,0|1,0,0]=3 133 B6R0.7 CC(C)(C)[N+](=O)[O-] BC215812 [0,1,0,0,1,0|2,0,0]=4 134 B6R0.7 CC(C)(C)[S@](=O)N BC215015 [0,1,0,0,1,0|2,0,0]=4 135 B8R0.9 CC(COC(=O)C=C)O BC222741 [0,1,0,0,0,1|1,0,1]=4 136 B8R0.23 CC(C)CC(=O)C(=O)[O-] BC219743 [0,1,0,0,0,1|1,0,0]=3 137 B8R0.23 CC(C)C[C@@H](C(=O)O)N BC201485 [0,1,0,0,0,1|1,0,0]=3 138 B8R0.2 C[C@@H]([C@@H](C(=O)O)N)OC BC215133 [0,2,0,0,0,0|1,0,0]=3 139 B8R0.2 C[C@@H]([C@H](C(=O)OC)N)O BC215132 [0,2,0,0,0,0|1,0,0]=3 140 B8R0.5 C=CC[C@H](CC(=O)O)N BC675393 [0,2,0,0,0,0|2,0,0]=4 141 B8R0.5 CC(C)OC(=O)OCCl BC201072 [0,2,0,0,0,0|1,0,0]=3 142 B8R0.5 CCOC(=O)C=C(C)C BC201331 [0,2,0,0,0,0|0,0,2]=4 143 B8R0.5 CCOC(=O)CC(=O)C BC202411 [0,2,0,0,0,0|1,0,1]=4 144 B8R0.5 CCOC(=O)CC(C)O BC219465 [0,2,0,0,0,0|1,0,0]=3 145 B8R0.5 CCOC(=O)OC(C)I BC215870 [0,2,0,0,0,0|2,0,0]=4 146 B8R0.19 CCC(=O)CC(=O)OC BC651002 [0,2,0,0,0,0|1,0,1]=4 147 B8R0.19 COC(=O)CC(=O)CCl BC218922 [0,2,0,0,0,0|1,0,1]=4 148 B8R0.19 COC(=O)C[C@@H](CBr)O BC201655 [0,2,0,0,0,0|1,0,0]=3 149 B8R0.24 CC(C)(C)OC(=O)CBr BC219884 [0,2,0,0,0,0|1,0,0]=3 150 B8R0.24 CC(C)(C)OC(=O)CCl BC676650 [0,2,0,0,0,0|1,0,0]=3 151 B8R0.24 CC(C)(C)OC(=O)NN BC218648 [0,2,0,0,0,0|2,0,0]=4 152 B8R0.27 CC(C)(C)C(=O)C(=O)O BC201770 [0,2,0,0,0,0|1,0,1]=4 153 B8R0.27 CC(C)(C)[C@@H](C(=O)O)N BC226285 [0,2,0,0,0,0|1,0,0]=3 154 B8R0.27 CC(C)(C)[C@H](C(=O)O)N BC675596 [0,2,0,0,0,0|1,0,0]=3 155 B8R0.27 CC(C)([C@@H](C(=O)O)N)O BC227829 [0,2,0,0,0,0|1,0,0]=3 156 B8R0.27 CC(C)([C@H](C(=O)O)N)O BC213767 [0,2,0,0,0,0|1,0,0]=3 157 B8R0.37 CC(C)C(C)(C(=O)N)N BC202254 [0,2,0,0,0,0|1,0,0]=3 158 B6R1.2 C1C=CCC1O BC649956 [1,0,0,1,0,0|1,0,1]=4 159 B6R1.2 C1CC(=O)C=C1 BC652225 [1,0,0,1,0,0|0,0,2]=4 160 B6R1.2 C1CC(=O)NC1 BC225697 [1,0,0,1,0,0|1,0,0]=3 161 B6R1.2 C1CCC(C1)Cl BC221902 [1,0,0,1,0,0|1,0,1]=4 162 B6R1.2 C1CNC(=O)N1 BC202712 [1,0,0,1,0,0|2,0,0]=4 163 B6R1.2 C1CNCC1=O BC208274 [1,0,0,1,0,0|1,0,0]=3 164 B6R1.2 C1CNCC1O BC208993 [1,0,0,1,0,0|2,0,0]=4 165 B6R1.2 C1CNC[C@@H]1O BC677867 [1,0,0,1,0,0|2,0,0]=4 166 B6R1.2 C1CNC[C@@H]1O BC678742 [1,0,0,1,0,0|2,0,0]=4 167 B6R1.2 C1CNC[C@H]1O BC201989 [1,0,0,1,0,0|2,0,0]=4 168 B6R1.2 C1CNC[C@H]1O BC677872 [1,0,0,1,0,0|2,0,0]=4 169 B6R1.2 C1COCC1=O BC244549 [1,0,0,1,0,0|1,0,0]=3 170 B6R1.2 C1COCC1O BC201032 [1,0,0,1,0,0|2,0,0]=4 171 B6R1.2 C1COC[C@@H]1N BC675401 [1,0,0,1,0,0|2,0,0]=4 172 B6R1.2 C1COC[C@@H]1O BC678095 [1,0,0,1,0,0|2,0,0]=4 173 B6R1.2 C1COC[C@H]1N BC213397 [1,0,0,1,0,0|2,0,0]=4 174 B6R1.2 C1COC[C@H]1O BC206872 [1,0,0,1,0,0|2,0,0]=4 175 B6R1.2 C1COC[C@H]1O BC623081 [1,0,0,1,0,0|2,0,0]=4 176 B6R1.2 CC1CCCN1 BC208988 [1,0,0,1,0,0|1,0,1]=4 177 B6R1.2 CC1CCCO1 BC205640 [1,0,0,1,0,0|0,0,2]=4 178 B6R1.2 C[C@@H]1CCCN1 BC677871 [1,0,0,1,0,0|1,0,1]=4 179 B6R1.2 C[C@H]1CCCN1 BC208991 [1,0,0,1,0,0|1,0,1]=4 180 B6R1.3 C1CC1CC#N BC206709 [1,0,0,1,0,0|1,0,1]=4 181 B6R1.3 C1CC1CON BC205632 [1,0,0,1,0,0|2,0,0]=4 182 B6R1.3 C1CC1NC=O BC208728 [1,0,0,1,0,0|1,0,0]=3 183 B6R1.11 C1C(O1)C(=O)O BC224303 [1,0,0,1,0,0|2,0,0]=4 184 B6R1.11 C1CC1C(=N)N BC210033 [1,0,0,1,0,0|2,0,0]=4 185 B8R1.3 C1CC(=O)CCC1=O BC207860 [0,0,0,1,0,1|1,0,1]=4 186 B8R1.3 C1CC(=O)NCC1=O BC677922 [0,0,0,1,0,1|1,0,1]=4 187 B8R1.3 C1CC(=O)NC[C@@H]1O BC659466 [0,0,0,1,0,1|1,0,0]=3 188 B8R1.3 CC1CCC(=O)CC1 BC219613 [0,0,0,1,0,1|0,0,0]=2 189 B8R1.3 CC1CCC(CC1)N BC214314 [0,0,0,1,0,1|1,0,1]=4 190 B8R1.3 CN1CCC(=O)CC1 BC205734 [0,0,0,1,0,1|1,0,0]=3 191 B8R1.3 C[C@@H]1CN[C@H](CN1)C BC209523 [0,0,0,1,0,1|1,0,1]=4 192 B8R1.23 C1[C@@H](C[C@H]1C(=O)O)N BC233488 [0,0,0,1,0,1|2,0,0]=4 193 B8R1.23 C1[C@@H](C[C@H]1C(=O)O)N BC670712 [0,0,0,1,0,1|2,0,0]=4 194 B8R1.77 CC1(C[C@@H]1C(=O)N)C BC205635 [0,0,0,1,0,1|1,0,0]=3 195 B8R1.1 C1CC(=O)N[C@H]1CO BC676884 [0,1,0,1,0,0|1,0,0]=3 196 B8R1.4 C1CNC(=O)CC1N BC678826 [0,1,0,1,0,0|1,0,0]=3 197 B8R1.4 C1CNC(=O)CC1O BC678827 [0,1,0,1,0,0|1,0,0]=3 198 B8R1.54 C1CC1[C@@H](C(=O)O)N BC225197 [0,1,0,1,0,0|1,0,0]=3 199 B8R1.54 C1CC1[C@H](C(=O)O)N BC225198 [0,1,0,1,0,0|1,0,0]=3 200 B8R0.28 CC(C)CCNC(=O)C BC600079 [0,0,0,0,0,2|0,0,0]=2 201 B8R0.28 CC(C)C[Al+]CC(C)C BC200546 [0,0,0,0,0,2|1,0,1]=4 202 B8R0.28 CN(C)C\C=C\C(=O)O BC225128 [0,0,0,0,0,2|2,0,0]=4