0 B6R0.1 C=CCC(=O)OC SY025883 [0,0,0,0,0,0|1,0,1]=2 1 B6R0.1 CC#CC(=O)OC SY012646 [0,0,0,0,0,0|1,0,1]=2 2 B6R0.1 CCC(=O)CC#N SY004535 [0,0,0,0,0,0|3,0,0]=3 3 B6R0.1 CCC(=O)COC SY190908 [0,0,0,0,0,0|1,1,0]=2 4 B6R0.1 CCCC(=O)NN SY060413 [0,0,0,0,0,0|3,0,0]=3 5 B6R0.1 CCNC(=O)CCl SY024489 [0,0,0,0,0,0|4,0,0]=4 6 B6R0.1 CCOC(=O)CN SY002226 [0,0,0,0,0,0|4,0,0]=4 7 B6R0.1 CCOC(=O)CO SY002762 [0,0,0,0,0,0|4,0,0]=4 8 B6R0.1 CCOC(=S)SC SY261921 [0,0,0,0,0,0|2,2,0]=4 9 B6R0.1 CNC(=O)CC#N SY032593 [0,0,0,0,0,0|3,0,0]=3 10 B6R0.1 CNC(=O)CCO SY083761 [0,0,0,0,0,0|3,0,0]=3 11 B6R0.1 COC(=N)CC#N SY257805 [0,0,0,0,0,0|3,0,0]=3 12 B6R0.1 COC(=O)C#CBr SY039726 [0,0,0,0,0,0|2,0,1]=3 13 B6R0.1 COC(=O)C=CI SY264761 [0,0,0,0,0,0|2,0,1]=3 14 B6R0.1 COC(=O)CCBr SY002337 [0,0,0,0,0,0|2,0,0]=2 15 B6R0.1 COC(=O)CCN SY004831 [0,0,0,0,0,0|2,0,0]=2 16 B6R0.1 COC(=O)CCO SY008913 [0,0,0,0,0,0|2,0,0]=2 17 B6R0.1 COC(=O)OCCl SY047554 [0,0,0,0,0,0|3,0,0]=3 18 B6R0.1 COC(=O)\C=C/I SY257888 [0,0,0,0,0,0|2,0,1]=3 19 B6R0.1 COCC(=O)NN SY109583 [0,0,0,0,0,0|2,1,0]=3 20 B6R0.1 O=C(CCCl)NO SY159080 [0,0,0,0,0,0|4,0,0]=4 21 B5R0.1 C#CCC(=O)O SY040154 [1,0,0,0,0,0|1,0,1]=3 22 B5R0.1 CC#CC(C)=O SY262884 [1,0,0,0,0,0|1,0,1]=3 23 B5R0.1 CC(=O)CCN SY263173 [1,0,0,0,0,0|2,0,0]=3 24 B5R0.1 CC(=O)CCO SY002849 [1,0,0,0,0,0|2,0,0]=3 25 B5R0.1 CC(=O)NCO SY047960 [1,0,0,0,0,0|3,0,0]=4 26 B5R0.1 CC(=O)OCBr SY051438 [1,0,0,0,0,0|3,0,0]=4 27 B5R0.1 CC(=O)\C=N/O SY112549 [1,0,0,0,0,0|2,0,1]=4 28 B5R0.1 CCCB(O)O SY030878 [1,0,0,0,0,0|2,0,1]=4 29 B5R0.1 CCC[C@@H](C)O SY045083 [1,0,0,0,0,0|1,0,2]=4 30 B5R0.1 CCNC(C)=O SY016499 [1,0,0,0,0,0|2,0,0]=3 31 B5R0.1 CNCC(=O)O SY001630 [1,0,0,0,0,0|1,0,0]=2 32 B5R0.1 CNCC(C)O SY083968 [1,0,0,0,0,0|1,0,2]=4 33 B5R0.1 CNCC(N)=O SY059741 [1,0,0,0,0,0|2,0,0]=3 34 B5R0.1 CNC[C@H](C)O SY131109 [1,0,0,0,0,0|1,0,2]=4 35 B5R0.1 COCC(=N)N SY019943 [1,0,0,0,0,0|2,1,0]=4 36 B5R0.1 COCC(C)Br SY074290 [1,0,0,0,0,0|1,1,1]=4 37 B5R0.1 COC[C@@H](C)N SY034826 [1,0,0,0,0,0|1,1,1]=4 38 B5R0.1 COC[C@@H](C)N SY056838 [1,0,0,0,0,0|1,1,1]=4 39 B5R0.1 CSCC(N)=O SY040648 [1,0,0,0,0,0|1,0,0]=2 40 B5R0.1 CSCS(C)=O SY049552 [1,0,0,0,0,0|1,0,0]=2 41 B5R0.1 NC(=O)CCBr SY014886 [1,0,0,0,0,0|3,0,0]=4 42 B5R0.1 NCCC(N)=O SY024863 [1,0,0,0,0,0|3,0,0]=4 43 B5R0.1 NCCC(N)=O SY101590 [1,0,0,0,0,0|3,0,0]=4 44 B5R0.1 O=C(O)CCF SY008508 [1,0,0,0,0,0|2,0,0]=3 45 B5R0.1 O=C(O)CCO SY003982 [1,0,0,0,0,0|2,0,0]=3 46 B5R0.1 O=C(O)\C=C\Br SY026854 [1,0,0,0,0,0|2,0,1]=4 47 B5R0.2 C#CCCOC SY261977 [1,0,0,0,0,0|1,0,2]=4 48 B5R0.2 CCCCON SY013356 [1,0,0,0,0,0|2,0,1]=4 49 B5R0.2 CCCCON SY019069 [1,0,0,0,0,0|2,0,1]=4 50 B5R0.2 CNCCSC SY020435 [1,0,0,0,0,0|1,0,1]=3 51 B5R0.2 COCCNN SY048076 [1,0,0,0,0,0|2,0,1]=4 52 B5R0.3 C=C(OC)OC SY274566 [1,0,0,0,0,0|1,1,0]=3 53 B5R0.3 C=CC(=O)NC SY057550 [1,0,0,0,0,0|1,0,2]=4 54 B5R0.3 CCC(Br)CC SY050135 [1,0,0,0,0,0|2,0,1]=4 55 B5R0.3 CNC(=N)NC SY270827 [1,0,0,0,0,0|3,0,0]=4 56 B5R0.3 CNC(=O)CBr SY106596 [1,0,0,0,0,0|2,0,0]=3 57 B5R0.3 CNC(=O)CCl SY003250 [1,0,0,0,0,0|2,0,0]=3 58 B5R0.3 CNC(=O)CN SY024913 [1,0,0,0,0,0|2,0,0]=3 59 B5R0.3 CNC(=O)CN SY066423 [1,0,0,0,0,0|2,0,0]=3 60 B5R0.3 CNC(=O)NC SY004507 [1,0,0,0,0,0|2,0,0]=3 61 B5R0.3 COC(=O)CN SY001589 [1,0,0,0,0,0|1,0,0]=2 62 B5R0.3 COC(=O)CO SY003097 [1,0,0,0,0,0|0,1,0]=2 63 B5R0.3 COC(C)CBr SY298794 [1,0,0,0,0,0|2,0,1]=4 64 B5R0.3 CO[C@@H](C)CN SY114788 [1,0,0,0,0,0|2,0,1]=4 65 B5R0.3 CSC(=N)NN SY023604 [1,0,0,0,0,0|3,0,0]=4 66 B5R0.3 NNC(=O)CO SY059283 [1,0,0,0,0,0|2,1,0]=4 67 B5R0.3 O=C(CO)CO SY038299 [1,0,0,0,0,0|2,1,0]=4 68 B7R0.2 COC(=O)CC(=N)N SY034666 [0,1,0,0,0,0|2,0,0]=3 69 B7R0.2 COC(=O)CC(=O)O SY046546 [0,1,0,0,0,0|2,0,0]=3 70 B7R0.2 COC(=O)CC(=O)[O-] SY031346 [0,1,0,0,0,0|2,0,0]=3 71 B7R0.2 COC(=O)CC(N)=O SY031703 [0,1,0,0,0,0|2,0,0]=3 72 B7R0.2 COC(=O)CC(N)=S SY007662 [0,1,0,0,0,0|2,0,0]=3 73 B7R0.2 COC(=O)C[C@@H](C)N SY024605 [0,1,0,0,0,0|1,0,0]=2 74 B7R0.2 COC(=O)C[C@@H](C)N SY024610 [0,1,0,0,0,0|1,0,0]=2 75 B7R0.2 COC(=O)C[C@@H](C)O SY018984 [0,1,0,0,0,0|1,0,0]=2 76 B7R0.2 COC(=O)C[C@H](C)N SY212047 [0,1,0,0,0,0|1,0,0]=2 77 B7R0.2 COC(=O)C[C@H](C)O SY018985 [0,1,0,0,0,0|1,0,0]=2 78 B7R0.2 COC(=O)C[N+](=O)[O-] SY001008 [0,1,0,0,0,0|2,0,0]=3 79 B7R0.3 C#CCCC(=O)OC SY057491 [0,1,0,0,0,0|1,0,1]=3 80 B7R0.3 CCC(=O)OCCO SY301488 [0,1,0,0,0,0|3,0,0]=4 81 B7R0.3 CCCCC(=O)NN SY078868 [0,1,0,0,0,0|3,0,0]=4 82 B7R0.3 CNC(=O)CCCO SY126228 [0,1,0,0,0,0|2,0,0]=3 83 B7R0.3 CNCCC(=O)NC SY029107 [0,1,0,0,0,0|2,0,0]=3 84 B7R0.3 CNCCC(=O)OC SY019690 [0,1,0,0,0,0|1,0,0]=2 85 B7R0.3 COC(=O)C=CCBr SY007768 [0,1,0,0,0,0|1,0,1]=3 86 B7R0.3 COC(=O)CCC#N SY012328 [0,1,0,0,0,0|1,0,1]=3 87 B7R0.3 COC(=O)CCCBr SY011922 [0,1,0,0,0,0|1,0,0]=2 88 B7R0.3 COC(=O)CCCI SY110660 [0,1,0,0,0,0|1,0,0]=2 89 B7R0.3 COC(=O)CCCN SY058513 [0,1,0,0,0,0|1,0,0]=2 90 B7R0.3 COC(=O)CCCO SY268958 [0,1,0,0,0,0|1,0,0]=2 91 B7R0.3 COC(=O)\C=C\CBr SY112634 [0,1,0,0,0,0|1,0,1]=3 92 B7R0.3 COC=CC(=O)OC SY012690 [0,1,0,0,0,0|0,1,1]=3 93 B7R0.5 CC(C)C(=O)CC#N SY004538 [0,1,0,0,0,0|3,0,0]=4 94 B7R0.5 CC(C)C(=O)CCN SY263226 [0,1,0,0,0,0|3,0,0]=4 95 B7R0.5 CCCC(=O)C(N)=O SY251044 [0,1,0,0,0,0|3,0,0]=4 96 B7R0.5 CCNC(=O)[C@H](C)N SY297093 [0,1,0,0,0,0|3,0,0]=4 97 B7R0.5 CCNC(=O)[C@H](C)N SY297094 [0,1,0,0,0,0|3,0,0]=4 98 B7R0.5 CCOC(=O)C(C)N SY004290 [0,1,0,0,0,0|3,0,0]=4 99 B7R0.5 CCOC(=O)[C@@H](C)N SY021480 [0,1,0,0,0,0|3,0,0]=4 100 B7R0.5 CCOC(=O)[C@@H](C)O SY030456 [0,1,0,0,0,0|3,0,0]=4 101 B7R0.5 CNCC(=O)N(C)C SY139333 [0,1,0,0,0,0|2,0,0]=3 102 B7R0.5 [C-]#[N+]CC(=O)N(C)C SY263036 [0,1,0,0,0,0|2,0,1]=4 103 B7R0.7 CC#CC(=O)OCC SY037256 [0,1,0,0,0,0|1,0,1]=3 104 B7R0.7 CCCC(=O)OCCl SY018804 [0,1,0,0,0,0|1,0,0]=2 105 B7R0.7 CCNC(=O)CCCl SY168089 [0,1,0,0,0,0|3,0,0]=4 106 B7R0.7 CCNC(=O)NCC SY001914 [0,1,0,0,0,0|3,0,0]=4 107 B7R0.7 CCOC(=O)C#CBr SY108326 [0,1,0,0,0,0|2,0,1]=4 108 B7R0.7 CCOC(=O)CCBr SY001430 [0,1,0,0,0,0|2,0,0]=3 109 B7R0.7 CCOC(=O)CCI SY031505 [0,1,0,0,0,0|2,0,0]=3 110 B7R0.7 CCOC(=O)CCN SY001761 [0,1,0,0,0,0|2,0,0]=3 111 B7R0.7 CCOC(=O)CCO SY008914 [0,1,0,0,0,0|2,0,0]=3 112 B7R0.7 CCOC(=O)CNC SY007981 [0,1,0,0,0,0|1,0,0]=2 113 B7R0.7 CCOC(=O)CNN SY021491 [0,1,0,0,0,0|2,0,0]=3 114 B7R0.7 CCOC(=O)OCCl SY114398 [0,1,0,0,0,0|2,0,0]=3 115 B7R0.7 CCOC(=O)\C=C\O SY272545 [0,1,0,0,0,0|2,0,1]=4 116 B7R0.7 COCC(=O)COC SY110586 [0,1,0,0,0,0|0,1,0]=2 117 B7R0.7 COCC(O)COC SY021402 [0,1,0,0,0,0|0,1,2]=4 118 B7R0.7 O=C(CCCl)CCCl SY031905 [0,1,0,0,0,0|3,0,0]=4 119 B7R0.7 O=C(CCO)CCCl SY300455 [0,1,0,0,0,0|3,0,0]=4 120 B7R0.7 O=C(CCO)CCO SY239973 [0,1,0,0,0,0|3,0,0]=4 121 B7R0.10 C=C(CBr)C(=O)OC SY009735 [0,1,0,0,0,0|2,0,1]=4 122 B7R0.10 CCC(=O)N(C)OC SY104588 [0,1,0,0,0,0|2,1,0]=4 123 B7R0.10 CC[C@@H](N)C(=O)OC SY026012 [0,1,0,0,0,0|1,0,0]=2 124 B7R0.10 CC[C@H](N)C(=O)OC SY096587 [0,1,0,0,0,0|1,0,0]=2 125 B7R0.10 COC(=O)C(Br)CO SY246714 [0,1,0,0,0,0|2,0,0]=3 126 B7R0.10 COC(=O)C(C)C=O SY238219 [0,1,0,0,0,0|2,0,0]=3 127 B7R0.10 COC(=O)C(N)CO SY005975 [0,1,0,0,0,0|2,0,0]=3 128 B7R0.10 COC(=O)C(O)CN SY029941 [0,1,0,0,0,0|2,0,0]=3 129 B7R0.10 COC(=O)C(O)CO SY265586 [0,1,0,0,0,0|2,0,0]=3 130 B7R0.10 COC(=O)[C@@H](Br)CO SY246715 [0,1,0,0,0,0|2,0,0]=3 131 B7R0.10 COC(=O)[C@@H](C)CO SY016750 [0,1,0,0,0,0|2,0,0]=3 132 B7R0.10 COC(=O)[C@@H](F)CN SY277955 [0,1,0,0,0,0|2,0,0]=3 133 B7R0.10 COC(=O)[C@@H](N)CO SY005340 [0,1,0,0,0,0|2,0,0]=3 134 B7R0.10 COC(=O)[C@@H](N)CS SY021999 [0,1,0,0,0,0|2,0,0]=3 135 B7R0.10 COC(=O)[C@@H](O)CO SY017442 [0,1,0,0,0,0|2,0,0]=3 136 B7R0.10 COC(=O)[C@H](C)CBr SY059958 [0,1,0,0,0,0|2,0,0]=3 137 B7R0.10 COC(=O)[C@H](C)CO SY031653 [0,1,0,0,0,0|2,0,0]=3 138 B7R0.10 COC(=O)[C@H](N)CO SY008009 [0,1,0,0,0,0|2,0,0]=3 139 B7R0.10 COC(=O)[C@H](N)CS SY076955 [0,1,0,0,0,0|2,0,0]=3 140 B7R0.10 COC(=O)[C@H](O)CO SY116554 [0,1,0,0,0,0|2,0,0]=3 141 B7R0.10 [C-]#[N+]C(C)C(=O)OC SY204645 [0,1,0,0,0,0|1,0,1]=3 142 B7R0.12 COCC(OC)OC SY050730 [0,1,0,0,0,0|0,1,2]=4 143 B7R1.1 COC1CCNC1 SY043121 [0,0,0,1,0,0|2,0,1]=4 144 B7R1.1 COC1CCNC1 SY097408 [0,0,0,1,0,0|2,0,1]=4 145 B7R1.1 CO[C@@H]1CCNC1 SY042148 [0,0,0,1,0,0|2,0,1]=4 146 B7R1.1 CO[C@@H]1CCNC1 SY056981 [0,0,0,1,0,0|2,0,1]=4 147 B7R1.1 CO[C@H]1CCNC1 SY042488 [0,0,0,1,0,0|2,0,1]=4 148 B7R1.2 CC1=NNC(=O)C1 SY010796 [0,0,0,1,0,0|3,0,0]=4 149 B7R1.2 CC1CCC(=O)C1 SY003033 [0,0,0,1,0,0|2,0,0]=3 150 B7R1.2 CC1CCC(=O)O1 SY011304 [0,0,0,1,0,0|3,0,0]=4 151 B7R1.2 CC1CNC(=O)C1 SY065050 [0,0,0,1,0,0|2,0,0]=3 152 B7R1.2 CC1COC(=O)N1 SY037847 [0,0,0,1,0,0|2,0,0]=3 153 B7R1.2 C[C@@H]1COC(=O)N1 SY037848 [0,0,0,1,0,0|2,0,0]=3 154 B7R1.2 C[C@@H]1COC(=O)O1 SY008770 [0,0,0,1,0,0|2,0,0]=3 155 B7R1.2 C[C@H]1COC(=O)N1 SY037849 [0,0,0,1,0,0|2,0,0]=3 156 B7R1.2 C[C@H]1COC(=O)O1 SY066861 [0,0,0,1,0,0|2,0,0]=3 157 B7R1.2 N[C@@H]1COC(=O)C1 SY033765 [0,0,0,1,0,0|2,0,0]=3 158 B7R1.2 N[C@H]1COC(=O)C1 SY033771 [0,0,0,1,0,0|2,0,0]=3 159 B7R1.2 O=C1CC(O)CN1 SY031844 [0,0,0,1,0,0|3,0,0]=4 160 B7R1.2 O=C1CCC(=O)C1 SY003377 [0,0,0,1,0,0|3,0,0]=4 161 B7R1.2 O=C1CCC(O)C1 SY040217 [0,0,0,1,0,0|3,0,0]=4 162 B7R1.2 O=C1COC(=O)C1 SY048546 [0,0,0,1,0,0|2,0,0]=3 163 B7R1.2 O=C1C[C@@H](O)CN1 SY030867 [0,0,0,1,0,0|3,0,0]=4 164 B7R1.2 O=C1C[C@@H](O)CO1 SY109477 [0,0,0,1,0,0|2,0,0]=3 165 B7R1.2 O=C1C[C@H](O)CN1 SY025368 [0,0,0,1,0,0|3,0,0]=4 166 B7R1.2 O=C1C[C@H](O)CO1 SY002401 [0,0,0,1,0,0|2,0,0]=3 167 B7R1.2 O=C1OCC(F)O1 SY017141 [0,0,0,1,0,0|3,0,0]=4 168 B7R1.3 BrC1=CCCCC1 SY253165 [0,0,0,1,0,0|3,0,0]=4 169 B7R1.3 CC1CNCCO1 SY008226 [0,0,0,1,0,0|2,0,1]=4 170 B7R1.3 C[C@@H]1CNCCO1 SY021208 [0,0,0,1,0,0|2,0,1]=4 171 B7R1.3 C[C@@H]1CNCCO1 SY032742 [0,0,0,1,0,0|2,0,1]=4 172 B7R1.3 C[C@H]1CNCCO1 SY021210 [0,0,0,1,0,0|2,0,1]=4 173 B7R1.3 C[C@H]1CNCCO1 SY043150 [0,0,0,1,0,0|2,0,1]=4 174 B7R1.3 O=C1C=CCCN1 SY259179 [0,0,0,1,0,0|2,0,1]=4 175 B7R1.3 O=C1CC=CCN1 SY270920 [0,0,0,1,0,0|2,0,1]=4 176 B7R1.3 O=C1CCCCN1 SY011119 [0,0,0,1,0,0|2,0,0]=3 177 B7R1.3 O=C1CCCCO1 SY018264 [0,0,0,1,0,0|1,0,0]=2 178 B7R1.3 O=C1CCCCS1 SY222230 [0,0,0,1,0,0|1,1,0]=3 179 B7R1.3 O=C1CCCNC1 SY025656 [0,0,0,1,0,0|2,0,0]=3 180 B7R1.3 O=C1CCCOC1 SY003102 [0,0,0,1,0,0|1,1,0]=3 181 B7R1.3 O=C1CCNCC1 SY002027 [0,0,0,1,0,0|3,0,0]=4 182 B7R1.3 O=C1CCNCC1 SY107185 [0,0,0,1,0,0|3,0,0]=4 183 B7R1.3 O=C1CCSCC1 SY007101 [0,0,0,1,0,0|3,0,0]=4 184 B7R1.3 O=C1CNCCN1 SY002559 [0,0,0,1,0,0|2,0,0]=3 185 B7R1.3 O=C1CNCCO1 SY047308 [0,0,0,1,0,0|1,0,0]=2 186 B7R1.3 O=C1COCCN1 SY003974 [0,0,0,1,0,0|1,1,0]=3 187 B7R1.3 O=C1COCCO1 SY055447 [0,0,0,1,0,0|0,1,0]=2 188 B7R1.3 O=C1CSCCN1 SY082963 [0,0,0,1,0,0|1,0,0]=2 189 B7R1.3 O=C1NCCCO1 SY005699 [0,0,0,1,0,0|2,0,0]=3 190 B7R1.3 OC1CCCCO1 SY009592 [0,0,0,1,0,0|1,0,2]=4 191 B7R1.4 CC1CCCC1=O SY045483 [0,0,0,1,0,0|2,0,0]=3 192 B7R1.4 CC1CCOC1=O SY051660 [0,0,0,1,0,0|3,0,0]=4 193 B7R1.4 CC1OCCC1=O SY001818 [0,0,0,1,0,0|3,0,0]=4 194 B7R1.4 CC1SCCC1=O SY003998 [0,0,0,1,0,0|3,0,0]=4 195 B7R1.4 NN1CCCC1=O SY105332 [0,0,0,1,0,0|3,0,0]=4 196 B7R1.4 O=C1CCCC1=O SY057516 [0,0,0,1,0,0|3,0,0]=4 197 B7R1.4 O=C1CCCC1F SY200677 [0,0,0,1,0,0|3,0,0]=4 198 B7R1.22 COC(=O)C1CO1 SY103832 [0,0,0,1,0,0|0,1,0]=2 199 B7R1.22 COC(=O)[C@@H]1CO1 SY029486 [0,0,0,1,0,0|0,1,0]=2 200 B7R1.22 COC(=O)[C@H]1CO1 SY029485 [0,0,0,1,0,0|0,1,0]=2 201 B7R1.22 NNC(=O)C1CC1 SY046578 [0,0,0,1,0,0|3,0,0]=4 202 B7R1.25 COC1(C)CNC1 SY042211 [0,0,0,1,0,0|2,0,1]=4 203 B4R0.1 C=C(C)CN SY018445 [2,0,0,0,0,0|2,0,0]=4 204 B4R0.1 CC(=O)CN SY018511 [2,0,0,0,0,0|1,0,0]=3 205 B4R0.1 CCB(O)O SY004385 [2,0,0,0,0,0|1,0,1]=4 206 B4R0.1 CCC(=N)N SY018521 [2,0,0,0,0,0|2,0,0]=4 207 B4R0.1 CCC(N)=O SY048276 [2,0,0,0,0,0|1,0,0]=3 208 B4R0.1 CCS(=O)[O-] SY005659 [2,0,0,0,0,0|1,0,1]=4 209 B4R0.1 CC[C@H](C)N SY059203 [2,0,0,0,0,0|1,0,1]=4 210 B4R0.1 CNC(N)=O SY018863 [2,0,0,0,0,0|2,0,0]=4 211 B4R0.1 COC(=N)N SY021749 [2,0,0,0,0,0|2,0,0]=4 212 B4R0.1 COC(=N)N SY023512 [2,0,0,0,0,0|2,0,0]=4 213 B4R0.1 CSC(=N)N SY001378 [2,0,0,0,0,0|2,0,0]=4 214 B4R0.1 NCC(N)=O SY003860 [2,0,0,0,0,0|2,0,0]=4 215 B4R0.1 NCC(N)=O SY104505 [2,0,0,0,0,0|2,0,0]=4 216 B4R0.1 O=C([O-])CI SY066613 [2,0,0,0,0,0|1,0,1]=4 217 B4R0.2 CC=CC[Pd+2] SY070788 [2,0,0,0,0,0|2,0,0]=4 218 B4R0.2 CCCON SY096737 [2,0,0,0,0,0|1,0,1]=4 219 B4R0.2 COCC#N SY003878 [2,0,0,0,0,0|2,0,0]=4 220 B4R0.2 COCCI SY248715 [2,0,0,0,0,0|1,0,1]=4 221 B6R0.2 CC(=O)C[N+](=O)[O-] SY285532 [1,1,0,0,0,0|2,0,0]=4 222 B6R0.2 CC(=O)NC(C)C SY107538 [1,1,0,0,0,0|2,0,0]=4 223 B6R0.2 CC(=O)OC(C)Br SY067153 [1,1,0,0,0,0|2,0,0]=4 224 B6R0.2 CC(=O)\C=C(\C)[O-] SY008855 [1,1,0,0,0,0|1,0,1]=4 225 B6R0.2 CC(=O)\C=C(\C)[O-] SY010105 [1,1,0,0,0,0|1,0,1]=4 226 B6R0.2 CC(=O)\C=C(\C)[O-] SY010217 [1,1,0,0,0,0|1,0,1]=4 227 B6R0.2 CC(=O)\C=C(\C)[O-] SY010282 [1,1,0,0,0,0|1,0,1]=4 228 B6R0.2 CC(=O)\C=C(\C)[O-] SY011804 [1,1,0,0,0,0|1,0,1]=4 229 B6R0.2 CC(=O)\C=C(\C)[O-] SY072898 [1,1,0,0,0,0|1,0,1]=4 230 B6R0.2 CC(=O)\C=C(\C)[O-] SY107884 [1,1,0,0,0,0|1,0,1]=4 231 B6R0.2 CC(Cl)CC(=O)Cl SY222037 [1,1,0,0,0,0|2,0,0]=4 232 B6R0.2 CC(N)CC(=O)O SY022577 [1,1,0,0,0,0|1,0,0]=3 233 B6R0.2 CN(C)CC(=O)O SY001194 [1,1,0,0,0,0|1,0,0]=3 234 B6R0.2 CN(C)CC(=O)O SY005006 [1,1,0,0,0,0|1,0,0]=3 235 B6R0.2 C[C@@H](N)CC(=O)O SY019803 [1,1,0,0,0,0|1,0,0]=3 236 B6R0.2 C[C@@H](N)CC(=O)O SY025783 [1,1,0,0,0,0|1,0,0]=3 237 B6R0.2 C[C@@H](O)CC(=O)[O-] SY107283 [1,1,0,0,0,0|1,0,1]=4 238 B6R0.2 C[C@H](N)CC(=O)O SY022578 [1,1,0,0,0,0|1,0,0]=3 239 B6R0.2 C[C@H](N)CC(=O)O SY025782 [1,1,0,0,0,0|1,0,0]=3 240 B6R0.2 O=C(O)CC(=O)O SY001875 [1,1,0,0,0,0|2,0,0]=4 241 B6R0.3 CCC(=O)C(=O)O SY011034 [1,1,0,0,0,0|1,0,1]=4 242 B6R0.3 CCC(Br)C(N)=O SY031102 [1,1,0,0,0,0|2,0,0]=4 243 B6R0.3 CCC(N)C(=O)O SY005223 [1,1,0,0,0,0|1,0,0]=3 244 B6R0.3 CC[C@@H](Br)C(=O)O SY233332 [1,1,0,0,0,0|1,0,0]=3 245 B6R0.3 CC[C@@H](C)C(=O)O SY115833 [1,1,0,0,0,0|1,0,0]=3 246 B6R0.3 CC[C@@H](N)C(=O)O SY001956 [1,1,0,0,0,0|1,0,0]=3 247 B6R0.3 CC[C@@H](N)C(N)=O SY108293 [1,1,0,0,0,0|2,0,0]=4 248 B6R0.3 CC[C@H](Br)C(=O)O SY233336 [1,1,0,0,0,0|1,0,0]=3 249 B6R0.3 CC[C@H](N)C(=O)O SY002291 [1,1,0,0,0,0|1,0,0]=3 250 B6R0.3 CC[C@H](N)C(N)=O SY020529 [1,1,0,0,0,0|2,0,0]=4 251 B6R0.3 CC[C@H](O)C(=O)O SY066872 [1,1,0,0,0,0|1,0,0]=3 252 B6R0.3 CNC(C)C(=O)O SY006014 [1,1,0,0,0,0|1,0,0]=3 253 B6R0.3 CN[C@@H](C)C(=O)O SY024215 [1,1,0,0,0,0|1,0,0]=3 254 B6R0.3 CN[C@H](C)C(=O)O SY024216 [1,1,0,0,0,0|1,0,0]=3 255 B6R0.3 COC(C)C(=O)O SY034306 [1,1,0,0,0,0|0,1,0]=3 256 B6R0.3 CON(C)C(C)=O SY004033 [1,1,0,0,0,0|1,1,0]=4 257 B6R0.3 CO[C@@H](C)C(=O)O SY028415 [1,1,0,0,0,0|0,1,0]=3 258 B6R0.3 C[C@@H](CN)C(=O)O SY127503 [1,1,0,0,0,0|2,0,0]=4 259 B6R0.3 C[C@@H](CN)C(=O)O SY245999 [1,1,0,0,0,0|2,0,0]=4 260 B6R0.3 C[C@@H](ON)C(=O)O SY286465 [1,1,0,0,0,0|1,1,0]=4 261 B6R0.3 C[C@H](CN)C(=O)O SY020274 [1,1,0,0,0,0|2,0,0]=4 262 B6R0.3 C[C@H](CN)C(=O)O SY105716 [1,1,0,0,0,0|2,0,0]=4 263 B6R0.3 C[C@H](ON)C(=O)O SY286489 [1,1,0,0,0,0|1,1,0]=4 264 B6R0.3 C\C=C(\C)C(=O)O SY053021 [1,1,0,0,0,0|1,0,1]=4 265 B6R0.3 NC(CO)C(=O)O SY003812 [1,1,0,0,0,0|2,0,0]=4 266 B6R0.3 NC(CS)C(=O)O SY009625 [1,1,0,0,0,0|2,0,0]=4 267 B6R0.3 NCC(Br)C(=O)O SY297906 [1,1,0,0,0,0|2,0,0]=4 268 B6R0.3 NCC(N)C(=O)O SY017516 [1,1,0,0,0,0|2,0,0]=4 269 B6R0.3 NCC(O)C(=O)O SY007745 [1,1,0,0,0,0|2,0,0]=4 270 B6R0.3 NC[C@@H](N)C(=O)O SY017514 [1,1,0,0,0,0|2,0,0]=4 271 B6R0.3 NC[C@H](N)C(=O)O SY017515 [1,1,0,0,0,0|2,0,0]=4 272 B6R0.3 NC[C@H](O)C(=O)O SY013665 [1,1,0,0,0,0|2,0,0]=4 273 B6R0.3 N[C@@H](CCl)C(=O)O SY034145 [1,1,0,0,0,0|2,0,0]=4 274 B6R0.3 N[C@@H](CO)C(=O)O SY002847 [1,1,0,0,0,0|2,0,0]=4 275 B6R0.3 N[C@@H](CS)C(=O)O SY061564 [1,1,0,0,0,0|2,0,0]=4 276 B6R0.3 N[C@H](CCl)C(=O)O SY034148 [1,1,0,0,0,0|2,0,0]=4 277 B6R0.3 N[C@H](CO)C(=O)O SY005114 [1,1,0,0,0,0|2,0,0]=4 278 B6R0.3 N[C@H](CS)C(=O)O SY033289 [1,1,0,0,0,0|2,0,0]=4 279 B6R0.3 N[C@H](CS)C(=O)O SY033653 [1,1,0,0,0,0|2,0,0]=4 280 B6R0.3 O=C(O)C(Br)CO SY261671 [1,1,0,0,0,0|2,0,0]=4 281 B6R0.3 O=C(O)[C@@H](Br)CO SY261670 [1,1,0,0,0,0|2,0,0]=4 282 B6R0.4 CC(=O)CCCO SY002852 [1,1,0,0,0,0|1,0,0]=3 283 B6R0.4 CC(=O)NCCN SY313725 [1,1,0,0,0,0|2,0,0]=4 284 B6R0.4 CCCOC(N)=O SY114484 [1,1,0,0,0,0|2,0,0]=4 285 B6R0.4 CNCCC(=O)O SY005345 [1,1,0,0,0,0|1,0,0]=3 286 B6R0.4 CNCCC(=O)O SY112486 [1,1,0,0,0,0|1,0,0]=3 287 B6R0.4 COCCC(=O)O SY028921 [1,1,0,0,0,0|0,1,0]=3 288 B6R0.4 CO\C=C\C(C)=O SY029615 [1,1,0,0,0,0|0,1,1]=4 289 B6R0.4 N#CCCC(=O)O SY008516 [1,1,0,0,0,0|1,0,1]=4 290 B6R0.4 NCCCC(N)=O SY174709 [1,1,0,0,0,0|2,0,0]=4 291 B6R0.4 O=C(O)C#CCO SY046324 [1,1,0,0,0,0|1,0,1]=4 292 B6R0.4 O=C(O)CCCBr SY001501 [1,1,0,0,0,0|1,0,0]=3 293 B6R0.4 O=C(O)\C=C\CBr SY028405 [1,1,0,0,0,0|1,0,1]=4 294 B6R0.4 O=C(O)\C=C\CO SY032954 [1,1,0,0,0,0|1,0,1]=4 295 B6R0.4 O=CNCC(=O)O SY052094 [1,1,0,0,0,0|1,0,1]=4 296 B6R0.5 CSCC(C)(C)N SY196988 [1,1,0,0,0,0|1,0,1]=4 297 B6R0.6 CCCCOCCl SY264650 [1,1,0,0,0,0|1,0,1]=4 298 B6R0.6 COCCCCCl SY015495 [1,1,0,0,0,0|1,0,1]=4 299 B6R0.6 C\C=C\CCCO SY066633 [1,1,0,0,0,0|2,0,0]=4 300 B6R0.8 COP(=O)([O-])OC SY285858 [1,1,0,0,0,0|1,1,0]=4 301 B6R0.9 CCN(CC)N=O SY053647 [1,1,0,0,0,0|2,0,0]=4 302 B6R0.9 C\C=C(\C=O)CC SY265075 [1,1,0,0,0,0|1,0,0]=3 303 B8R0.2 C=C(C(=O)OC)C(C)C SY284198 [0,2,0,0,0,0|1,0,1]=4 304 B8R0.2 CNC(=O)[C@H](N)C(C)C SY286681 [0,2,0,0,0,0|2,0,0]=4 305 B8R0.2 COC(=O)C(=O)C(C)Br SY096671 [0,2,0,0,0,0|1,0,1]=4 306 B8R0.2 COC(=O)C(=O)C(C)C SY005234 [0,2,0,0,0,0|1,0,1]=4 307 B8R0.2 COC(=O)C(=O)C(C)Cl SY272050 [0,2,0,0,0,0|1,0,1]=4 308 B8R0.2 COC(=O)C(Cl)C(C)=O SY051760 [0,2,0,0,0,0|1,0,0]=3 309 B8R0.2 COC(=O)C(O)C(C)N SY295220 [0,2,0,0,0,0|1,0,0]=3 310 B8R0.2 COC(=O)[C@@H](N)C(C)C SY007631 [0,2,0,0,0,0|1,0,0]=3 311 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)O SY034138 [0,2,0,0,0,0|1,0,0]=3 312 B8R0.2 COC(=O)[C@@H](N)[C@H](C)O SY263671 [0,2,0,0,0,0|1,0,0]=3 313 B8R0.2 COC(=O)[C@H](N)C(C)C SY009238 [0,2,0,0,0,0|1,0,0]=3 314 B8R0.5 CCOC(=O)CC(=N)N SY003198 [0,2,0,0,0,0|2,0,0]=4 315 B8R0.5 CCOC(=O)CC(=O)O SY003789 [0,2,0,0,0,0|2,0,0]=4 316 B8R0.5 CCOC(=O)CC(=O)[O-] SY004359 [0,2,0,0,0,0|2,0,0]=4 317 B8R0.5 CCOC(=O)CC(C)Br SY018207 [0,2,0,0,0,0|1,0,0]=3 318 B8R0.5 CCOC(=O)CC(N)=O SY015543 [0,2,0,0,0,0|2,0,0]=4 319 B8R0.5 CCOC(=O)CC(N)=S SY028416 [0,2,0,0,0,0|2,0,0]=4 320 B8R0.5 CCOC(=O)C[C@@H](C)O SY017544 [0,2,0,0,0,0|1,0,0]=3 321 B8R0.5 CCOC(=O)C[C@H](C)N SY254086 [0,2,0,0,0,0|1,0,0]=3 322 B8R0.5 CCOC(=O)OC(C)Cl SY019843 [0,2,0,0,0,0|2,0,0]=4 323 B8R0.5 CCOC(=O)\C=C(\C)I SY056839 [0,2,0,0,0,0|1,0,1]=4 324 B8R0.19 CCC(=O)CC(=O)OC SY007180 [0,2,0,0,0,0|1,0,0]=3 325 B8R0.19 COC(=O)C=C(N)CF SY235487 [0,2,0,0,0,0|1,0,1]=4 326 B8R0.19 COC(=O)C[C@H](O)CO SY018663 [0,2,0,0,0,0|1,0,0]=3 327 B8R0.19 COC(=O)OC(=O)OC SY274597 [0,2,0,0,0,0|0,1,1]=4 328 B8R0.23 CC(=O)CC(=O)C(C)C SY021087 [0,2,0,0,0,0|2,0,0]=4 329 B8R0.24 CNC(=O)CS(C)(=O)=O SY013498 [0,2,0,0,0,0|1,0,1]=4 330 B8R0.24 COC(=O)CS(=O)(=O)Cl SY006008 [0,2,0,0,0,0|1,0,1]=4 331 B8R0.24 COC(=O)CS(=O)(=O)[O-] SY016112 [0,2,0,0,0,0|1,0,1]=4 332 B8R0.24 COC(=O)CS(C)(=O)=O SY049864 [0,2,0,0,0,0|0,0,1]=3 333 B8R0.1 C#CCCC(=O)OCC SY259554 [0,2,0,0,0,0|1,0,1]=4 334 B8R0.1 C=CCOC(=O)CC#N SY032622 [0,2,0,0,0,0|2,0,0]=4 335 B8R0.1 CCC#CC(=O)OCC SY045959 [0,2,0,0,0,0|1,0,1]=4 336 B8R0.1 CCOC(=O)CCCI SY014641 [0,2,0,0,0,0|1,0,0]=3 337 B8R0.1 CCOC(=O)CCCN SY015028 [0,2,0,0,0,0|1,0,0]=3 338 B8R0.1 CCOC(=O)CCCO SY263197 [0,2,0,0,0,0|1,0,0]=3 339 B8R0.1 CCOC(=O)CCNC SY019659 [0,2,0,0,0,0|1,0,0]=3 340 B8R0.1 CCOC(=O)CN=C=O SY050586 [0,2,0,0,0,0|1,0,1]=4 341 B8R0.3 CCOC(=O)C(=O)CC SY025393 [0,2,0,0,0,0|1,0,1]=4 342 B8R0.3 CCOC(=O)C(=O)NC SY123697 [0,2,0,0,0,0|1,0,1]=4 343 B8R0.3 CCOC(=O)C(C)C#N SY023747 [0,2,0,0,0,0|2,0,0]=4 344 B8R0.3 CCOC(=O)C(Cl)C=O SY007483 [0,2,0,0,0,0|2,0,0]=4 345 B8R0.3 CCOC(=O)C(N)CC SY013355 [0,2,0,0,0,0|1,0,0]=3 346 B8R0.3 CCOC(=O)C(N)CO SY035107 [0,2,0,0,0,0|2,0,0]=4 347 B8R0.3 CCOC(=O)[C@@H](N)CO SY016021 [0,2,0,0,0,0|2,0,0]=4 348 B8R0.3 CCOC(=O)[C@@H](N)CS SY020967 [0,2,0,0,0,0|2,0,0]=4 349 B8R0.3 CCOC(=O)[C@H](N)CO SY030352 [0,2,0,0,0,0|2,0,0]=4 350 B8R0.3 CCOC(=O)\C(Cl)=N\C SY225086 [0,2,0,0,0,0|1,0,1]=4 351 B8R0.3 CNC(=O)C(Br)CCBr SY300500 [0,2,0,0,0,0|2,0,0]=4 352 B8R0.3 CNCC(Br)C(=O)OC SY290771 [0,2,0,0,0,0|1,0,0]=3 353 B8R0.3 CNC[C@H](N)C(=O)OC SY248365 [0,2,0,0,0,0|1,0,0]=3 354 B8R0.3 COC(=O)C(Br)CCBr SY017663 [0,2,0,0,0,0|1,0,0]=3 355 B8R0.6 C#CCCCC(=O)OC SY275105 [0,2,0,0,0,0|1,0,0]=3 356 B8R0.6 CCC\C=C\C(=O)OC SY015809 [0,2,0,0,0,0|1,0,0]=3 357 B8R0.6 CCNCCC(=O)OC SY019881 [0,2,0,0,0,0|1,0,0]=3 358 B8R0.6 COC(=O)CCCC#N SY025759 [0,2,0,0,0,0|1,0,0]=3 359 B8R0.6 COC(=O)CCCC=O SY056793 [0,2,0,0,0,0|1,0,0]=3 360 B8R0.6 COC(=O)CCCCBr SY013898 [0,2,0,0,0,0|1,0,0]=3 361 B8R0.6 COC(=O)CCCCN SY117564 [0,2,0,0,0,0|1,0,0]=3 362 B8R0.6 COCCCC(=O)OC SY096667 [0,2,0,0,0,0|0,1,0]=3 363 B8R0.6 C\C=C\C=C\C(=O)OC SY115509 [0,2,0,0,0,0|1,0,1]=4 364 B8R0.9 CCC(=O)NCC(C)C SY034683 [0,2,0,0,0,0|2,0,0]=4 365 B8R0.9 COC(=O)CCC(=O)O SY009523 [0,2,0,0,0,0|1,0,1]=4 366 B8R0.9 COC(=O)CCC(C)=O SY048239 [0,2,0,0,0,0|1,0,0]=3 367 B8R0.9 COC(=O)CCS(=O)[O-] SY106186 [0,2,0,0,0,0|1,0,1]=4 368 B8R0.9 COC(=O)CC[N+](=O)[O-] SY266571 [0,2,0,0,0,0|2,0,0]=4 369 B8R0.9 COC(=O)NCC(=O)O SY032049 [0,2,0,0,0,0|2,0,0]=4 370 B8R0.9 COC(=O)\C=C\C(C)C SY263740 [0,2,0,0,0,0|1,0,1]=4 371 B8R0.15 CCCC(OC)C(=O)O SY057656 [0,2,0,0,0,0|1,0,1]=4 372 B8R0.13 COC(=O)C(C)(C)C#N SY023289 [0,2,0,0,0,0|2,0,0]=4 373 B8R0.13 COC(=O)C(C)(C)CN SY026501 [0,2,0,0,0,0|2,0,0]=4 374 B8R0.13 COC(=O)C(C)(C)CO SY001211 [0,2,0,0,0,0|2,0,0]=4 375 B8R0.13 COC(=O)[C@](C)(N)CO SY262891 [0,2,0,0,0,0|2,0,0]=4 376 B8R0.20 COC(=O)C(OC)OC SY033419 [0,2,0,0,0,0|0,1,0]=3 377 B6R1.2 C=C1CCNC1 SY038558 [1,0,0,1,0,0|2,0,0]=4 378 B6R1.2 CC1=NCCC1 SY015490 [1,0,0,1,0,0|2,0,0]=4 379 B6R1.2 O=C1C=CCO1 SY017893 [1,0,0,1,0,0|1,0,1]=4 380 B6R1.2 O=C1CCNC1 SY019727 [1,0,0,1,0,0|1,0,0]=3 381 B6R1.2 O=C1CCNN1 SY073624 [1,0,0,1,0,0|2,0,0]=4 382 B6R1.2 O=C1CCOC1 SY003100 [1,0,0,1,0,0|0,1,0]=3 383 B6R1.2 O=C1NCCO1 SY003480 [1,0,0,1,0,0|2,0,0]=4 384 B6R1.2 OC1CCSC1 SY185762 [1,0,0,1,0,0|0,0,2]=4 385 B6R1.5 NC1CC(=O)C1 SY022838 [1,0,0,1,0,0|2,0,0]=4 386 B6R1.5 O=C1CC(Br)C1 SY029031 [1,0,0,1,0,0|2,0,0]=4 387 B6R1.11 NC(=O)C1CC1 SY018785 [1,0,0,1,0,0|2,0,0]=4 388 B6R1.11 O=C(O)[C@H]1CO1 SY289468 [1,0,0,1,0,0|0,1,0]=3 389 B6R1.1 C1=CCNCC1 SY020557 [1,0,0,1,0,0|2,0,0]=4 390 B6R1.1 C1CCONC1 SY105413 [1,0,0,1,0,0|2,0,0]=4 391 B6R1.1 C1COCCN1 SY059143 [1,0,0,1,0,0|1,0,1]=4 392 B6R1.1 C1CSCCN1 SY033134 [1,0,0,1,0,0|1,0,1]=4 393 B6R1.1 C1CSCSC1 SY014110 [1,0,0,1,0,0|2,0,0]=4 394 B6R1.6 CNC1COC1 SY047195 [1,0,0,1,0,0|1,0,1]=4 395 B6R1.6 COC1CNC1 SY021482 [1,0,0,1,0,0|1,0,1]=4 396 B8R1.1 CCC1CCC(=O)O1 SY015382 [0,1,0,1,0,0|2,0,0]=4 397 B8R1.1 NCC1COC(=O)N1 SY040257 [0,1,0,1,0,0|2,0,0]=4 398 B8R1.1 O=C1C=C(CBr)CO1 SY003604 [0,1,0,1,0,0|1,0,1]=4 399 B8R1.1 O=C1CC(CBr)CN1 SY205276 [0,1,0,1,0,0|2,0,0]=4 400 B8R1.1 O=C1CC(CO)CN1 SY008749 [0,1,0,1,0,0|2,0,0]=4 401 B8R1.1 O=C1NC(CO)CO1 SY038213 [0,1,0,1,0,0|2,0,0]=4 402 B8R1.1 O=C1N[C@@H](CO)CO1 SY284529 [0,1,0,1,0,0|2,0,0]=4 403 B8R1.1 O=C1N[C@H](CO)CO1 SY251331 [0,1,0,1,0,0|2,0,0]=4 404 B8R1.1 O=C1OCC(CO)O1 SY037075 [0,1,0,1,0,0|2,0,0]=4 405 B8R1.4 CC1=CC(=O)CCC1 SY011435 [0,1,0,1,0,0|2,0,0]=4 406 B8R1.4 CC1CCCC(=O)N1 SY033090 [0,1,0,1,0,0|2,0,0]=4 407 B8R1.4 CC1CCCC(=O)O1 SY048899 [0,1,0,1,0,0|1,0,0]=3 408 B8R1.4 CC1CCNC(=O)C1 SY033089 [0,1,0,1,0,0|2,0,0]=4 409 B8R1.4 CN1CCCC(=O)C1 SY023480 [0,1,0,1,0,0|2,0,0]=4 410 B8R1.4 C[C@@H]1CC(=O)CCN1 SY259242 [0,1,0,1,0,0|2,0,0]=4 411 B8R1.4 C[C@@H]1CNCC(=O)N1 SY259669 [0,1,0,1,0,0|2,0,0]=4 412 B8R1.4 C[C@H]1CC(=O)CCN1 SY234011 [0,1,0,1,0,0|2,0,0]=4 413 B8R1.4 C[C@H]1CCCC(=O)C1 SY290780 [0,1,0,1,0,0|2,0,0]=4 414 B8R1.4 NC1CCNC(=O)C1 SY098707 [0,1,0,1,0,0|2,0,0]=4 415 B8R1.4 O=C1CC(O)CCN1 SY029027 [0,1,0,1,0,0|2,0,0]=4 416 B8R1.4 O=C1CCCC(=O)C1 SY004453 [0,1,0,1,0,0|2,0,0]=4 417 B8R1.4 O=C1CCNC(=O)C1 SY004226 [0,1,0,1,0,0|2,0,0]=4 418 B8R1.4 O=C1COCC(=O)C1 SY042206 [0,1,0,1,0,0|2,0,0]=4 419 B8R1.4 O=C1COCC(=O)O1 SY005494 [0,1,0,1,0,0|0,1,1]=4 420 B8R1.4 O=C1C[C@H](O)CCN1 SY238615 [0,1,0,1,0,0|2,0,0]=4 421 B8R1.18 CC1=C(C)OC(=O)O1 SY021193 [0,1,0,1,0,0|2,0,0]=4 422 B8R1.18 CC1=CC(=O)OC1O SY104829 [0,1,0,1,0,0|1,0,1]=4 423 B8R1.18 CC1=NN(C)C(=O)C1 SY030288 [0,1,0,1,0,0|2,0,0]=4 424 B8R1.18 CC1CC(=O)OC1=O SY113513 [0,1,0,1,0,0|1,0,1]=4 425 B8R1.18 CC1CC(=O)OC1C SY262129 [0,1,0,1,0,0|1,0,0]=3 426 B8R1.51 CC1(C)CCC(=O)C1 SY043145 [0,1,0,1,0,0|2,0,0]=4 427 B8R1.51 CC1(C)CNC(=O)C1 SY015235 [0,1,0,1,0,0|2,0,0]=4 428 B8R1.51 CC1COS(=O)(=O)C1 SY264357 [0,1,0,1,0,0|2,0,0]=4 429 B8R1.2 O=CC1COCCO1 SY277014 [0,1,0,1,0,0|0,1,1]=4 430 B8R1.3 CC1CNC(=O)CO1 SY032981 [0,1,0,1,0,0|1,1,0]=4 431 B8R1.3 NC1CCC(=O)CC1 SY017243 [0,1,0,1,0,0|2,0,0]=4 432 B8R1.3 NC1CCC(=O)NC1 SY022821 [0,1,0,1,0,0|2,0,0]=4 433 B8R1.3 N[C@@H]1CCC(=O)NC1 SY036453 [0,1,0,1,0,0|2,0,0]=4 434 B8R1.3 O=C1CCC(Br)CC1 SY275581 [0,1,0,1,0,0|2,0,0]=4 435 B8R1.3 O=C1CCC(O)CC1 SY005938 [0,1,0,1,0,0|2,0,0]=4 436 B8R1.3 O=C1CCC(O)CN1 SY034611 [0,1,0,1,0,0|2,0,0]=4 437 B8R1.3 O=C1CC[C@H](O)CN1 SY107535 [0,1,0,1,0,0|2,0,0]=4 438 B8R1.5 CC1COCCC1=O SY023092 [0,1,0,1,0,0|1,1,0]=4 439 B8R1.5 CC1NCCNC1=O SY042487 [0,1,0,1,0,0|2,0,0]=4 440 B8R1.5 CC1OCCNC1=O SY032980 [0,1,0,1,0,0|1,1,0]=4 441 B8R1.5 CN1CCNCC1=O SY025326 [0,1,0,1,0,0|2,0,0]=4 442 B8R1.5 CN1CCNCC1=O SY025555 [0,1,0,1,0,0|2,0,0]=4 443 B8R1.5 C[C@@H]1NCCNC1=O SY020656 [0,1,0,1,0,0|2,0,0]=4 444 B8R1.5 C[C@H]1NCCNC1=O SY020655 [0,1,0,1,0,0|2,0,0]=4 445 B8R1.5 NC1CCCNC1=O SY005645 [0,1,0,1,0,0|2,0,0]=4 446 B8R1.5 NC1CCCNC1=O SY011636 [0,1,0,1,0,0|2,0,0]=4 447 B8R1.5 N[C@@H]1CCCNC1=O SY029118 [0,1,0,1,0,0|2,0,0]=4 448 B8R1.5 N[C@H]1CCCNC1=O SY005643 [0,1,0,1,0,0|2,0,0]=4 449 B8R1.5 N[C@H]1CCCNC1=O SY027641 [0,1,0,1,0,0|2,0,0]=4 450 B8R1.5 O=C1CCCCC1=O SY018311 [0,1,0,1,0,0|2,0,0]=4 451 B8R1.5 O=C1CCCCC1Cl SY038921 [0,1,0,1,0,0|2,0,0]=4 452 B8R1.5 O=C1NCCCC1Br SY105168 [0,1,0,1,0,0|2,0,0]=4 453 B8R1.5 O=C1NCCCC1O SY110845 [0,1,0,1,0,0|2,0,0]=4 454 B8R1.5 O=C1OCCC=C1Br SY058540 [0,1,0,1,0,0|1,0,1]=4 455 B8R1.22 O=C1C=CCCCC1 SY041083 [0,1,0,1,0,0|2,0,0]=4 456 B8R1.22 O=C1CCCCNC1 SY040205 [0,1,0,1,0,0|2,0,0]=4 457 B8R1.22 O=C1CCCNCC1 SY017922 [0,1,0,1,0,0|2,0,0]=4 458 B8R1.22 O=C1CCCOCC1 SY036485 [0,1,0,1,0,0|1,1,0]=4 459 B8R1.22 O=C1CCNCCN1 SY019808 [0,1,0,1,0,0|2,0,0]=4 460 B8R1.22 O=C1CCNCCN1 SY075066 [0,1,0,1,0,0|2,0,0]=4 461 B8R1.22 O=C1CCOCCN1 SY029460 [0,1,0,1,0,0|1,1,0]=4 462 B8R1.22 O=C1CNCCCN1 SY032801 [0,1,0,1,0,0|2,0,0]=4 463 B8R1.38 CNC(=O)C1CNC1 SY156287 [0,1,0,1,0,0|2,0,0]=4 464 B8R1.38 COC(=N)C1CCC1 SY300137 [0,1,0,1,0,0|2,0,0]=4 465 B8R1.38 COC(=O)C1CCN1 SY013593 [0,1,0,1,0,0|1,0,0]=3 466 B8R1.38 COC(=O)C1CNC1 SY015501 [0,1,0,1,0,0|1,0,0]=3 467 B8R1.38 COC(=O)C1COC1 SY099187 [0,1,0,1,0,0|0,1,0]=3 468 B8R1.50 CN1C(=O)CCC1O SY040014 [0,1,0,1,0,0|2,0,0]=4 469 B8R1.50 CN1C(=O)CSC1=O SY023727 [0,1,0,1,0,0|1,0,1]=4 470 B8R1.50 CN1CC[C@@H](N)C1=O SY278464 [0,1,0,1,0,0|2,0,0]=4 471 B8R1.50 O=C1OC[C@@H](O)[C@H]1O SY027383 [0,1,0,1,0,0|2,0,0]=4 472 B8R1.50 O=C1OC[C@H](O)[C@@H]1Br SY257674 [0,1,0,1,0,0|2,0,0]=4 473 B8R1.50 O=C1OC[C@H](O)[C@H]1O SY264849 [0,1,0,1,0,0|2,0,0]=4 474 B8R1.37 CCOC(=N)C1CC1 SY056676 [0,1,0,1,0,0|2,0,0]=4 475 B8R1.54 CC(Br)C(=O)C1CC1 SY034182 [0,1,0,1,0,0|2,0,0]=4 476 B8R1.11 N#CC1COCC1=O SY099400 [0,1,0,1,0,0|2,0,0]=4 477 B8R1.11 NCC1CCCC1=O SY158694 [0,1,0,1,0,0|2,0,0]=4 478 B8R1.39 COC(=O)C1(Br)CC1 SY029022 [0,1,0,1,0,0|1,0,0]=3 479 B8R1.39 COC(=O)C1(N)CC1 SY003514 [0,1,0,1,0,0|1,0,0]=3 480 B8R1.39 COC(=O)C1(N)CC1 SY017503 [0,1,0,1,0,0|1,0,0]=3 481 B8R1.72 O=S1(=O)CCCCO1 SY006382 [0,1,0,1,0,0|2,0,0]=4 482 B8R2.38 [C@@H]12CC1CNC2=O SY266158 [0,0,0,2,0,0|2,0,0]=4