0 B7R0.7 CCC[C@H](N)CCO N15481 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.7 CCC[C@H](N)CCO N15482 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.7 CCOC(=O)C=[N+]=[N-] D87242 [0,0,0,0,0,0|2,0,1]=3 3 B7R0.7 CCOC(=O)CCN F19878 [0,0,0,0,0,0|1,0,0]=1 4 B7R0.7 CCOC(=O)\C=C\[O-] P10114 [0,0,0,0,0,0|1,0,2]=3 5 B7R0.7 CCSC(=O)OCI C77591 [0,0,0,0,0,0|2,0,0]=2 6 B7R0.7 O=C(CCBr)CCBr 52047 [0,0,0,0,0,0|3,0,0]=3 7 B6R0.1 CCC(=O)N=C=S AT25941 [1,0,0,0,0,0|2,0,1]=4 8 B6R0.1 CCC[C@H](C)CBr S11885 [1,0,0,0,0,0|2,0,1]=4 9 B6R0.1 CCNC(=O)OC C16084 [1,0,0,0,0,0|1,0,0]=2 10 B6R0.1 CCOC(=N)CCl AC8745 [1,0,0,0,0,0|2,0,0]=3 11 B6R0.1 CCOC(=S)SC AC9840 [1,0,0,0,0,0|1,1,0]=3 12 B6R0.1 CC[C@H](N)CCO AT22371 [1,0,0,0,0,0|2,0,1]=4 13 B6R0.1 CC[C@H](N)COC D87652 [1,0,0,0,0,0|2,0,1]=4 14 B6R0.1 CC[C@H](N)COC D87653 [1,0,0,0,0,0|2,0,1]=4 15 B6R0.1 COCC(=O)CCl D85993 [1,0,0,0,0,0|2,0,0]=3 16 B6R0.1 COCC(=O)OC F53343 [1,0,0,0,0,0|1,0,0]=2 17 B6R0.1 CONC(=O)CCl AT14830 [1,0,0,0,0,0|3,0,0]=4 18 B6R0.1 O=C(CCCl)NO AC8818 [1,0,0,0,0,0|3,0,0]=4 19 B6R0.6 CCNCCSC AT25567 [1,0,0,0,0,0|2,0,1]=4 20 B6R0.6 CCOCCNN AC6859 [1,0,0,0,0,0|2,0,1]=4 21 B6R0.6 CCOCCON AT14482 [1,0,0,0,0,0|2,0,1]=4 22 B6R0.6 CCO\C=C\C=O F18326 [1,0,0,0,0,0|1,0,2]=4 23 B8R0.1 CCNC(=O)NCCO AT23087 [0,1,0,0,0,0|2,0,0]=3 24 B8R0.1 CCOC(=O)NCCN AT13715 [0,1,0,0,0,0|1,0,0]=2 25 B8R0.1 CCOC(=O)\C=C\CN 86087 [0,1,0,0,0,0|0,0,2]=3 26 B8R0.3 C#C[C@@H](O)C(=O)OCC T71981 [0,1,0,0,0,0|0,0,2]=3 27 B8R0.3 C=C(CC)C(=O)OCC 97591 [0,1,0,0,0,0|0,0,1]=2 28 B8R0.3 C=C(CCl)C(=O)OCC T70430 [0,1,0,0,0,0|1,0,1]=3 29 B8R0.3 CCCC(C)C(C)CC T71461 [0,1,0,0,0,0|2,0,1]=4 30 B8R0.3 CCOC(=O)[C@@H](C)CN A10614 [0,1,0,0,0,0|1,0,0]=2 31 B8R0.3 CCOC(=O)[C@@H](C)CO AB7220 [0,1,0,0,0,0|1,0,0]=2 32 B8R0.3 CCOC(=O)[C@@H](Cl)C=N L10141 [0,1,0,0,0,0|1,0,1]=3 33 B8R0.3 CCOC(=O)[C@H](C)NC D87311 [0,1,0,0,0,0|1,0,0]=2 34 B8R0.3 CCOC(=O)[C@H](C)OC 90999 [0,1,0,0,0,0|1,0,0]=2 35 B8R0.3 CCOC(=O)\C(Cl)=N\C AC2255 [0,1,0,0,0,0|1,0,1]=3 36 B8R0.5 CC(C)OC(=O)CCS FD10479 [0,1,0,0,0,0|1,0,0]=2 37 B8R0.5 CC(C)OC(=O)OCI D73860 [0,1,0,0,0,0|2,0,0]=3 38 B8R0.5 CCCC(=O)CC(C)C T72726 [0,1,0,0,0,0|1,0,0]=2 39 B8R0.5 CCC[C@H](C)OC(C)=O 73904 [0,1,0,0,0,0|1,0,2]=4 40 B8R0.5 CCOC(=O)C[C@H](C)N H11544 [0,1,0,0,0,0|0,0,0]=1 41 B8R0.5 CCOC(=O)C[S+](C)C AT26589 [0,1,0,0,0,0|1,0,0]=2 42 B8R1.4 CC1CCNC(C)C1 D87679 [0,0,0,1,0,0|2,0,1]=4 43 B8R1.4 CC1CCOS(=O)O1 A12529 [0,0,0,1,0,0|2,0,0]=3 44 B8R1.4 CC1CNC[C@H](C)O1 F18928 [0,0,0,1,0,0|2,0,1]=4 45 B8R1.4 CN1CCC=C(Br)C1 S11379 [0,0,0,1,0,0|3,0,0]=4 46 B8R1.4 CN1CCCC(=O)C1 C14007 [0,0,0,1,0,0|2,0,0]=3 47 B8R1.4 C[C@@H]1C[C@@H](N)CCO1 D79034 [0,0,0,1,0,0|2,0,1]=4 48 B8R1.4 C[C@H]1CC(=O)C=CO1 F50263 [0,0,0,1,0,0|2,0,1]=4 49 B8R1.4 C[C@H]1CC(=O)CCN1 W10112 [0,0,0,1,0,0|2,0,0]=3 50 B8R1.4 C[C@H]1CCCC(=O)C1 90784 [0,0,0,1,0,0|1,0,0]=2 51 B8R1.4 C[C@H]1CCCC(=O)N1 90463 [0,0,0,1,0,0|1,0,0]=2 52 B8R1.4 C[C@H]1CCC[C@H](C)N1 P21143 [0,0,0,1,0,0|2,0,1]=4 53 B8R1.4 C[C@H]1CNCC(=O)N1 P13905 [0,0,0,1,0,0|2,0,0]=3 54 B8R1.4 C[C@H]1CNC[C@@H](C)O1 F18871 [0,0,0,1,0,0|2,0,1]=4 55 B8R1.4 C[C@H]1CNC[C@H](C)O1 F18885 [0,0,0,1,0,0|2,0,1]=4 56 B8R1.4 N[C@@H]1COCC(=O)C1 F51972 [0,0,0,1,0,0|3,0,0]=4 57 B8R1.4 O=C1C=C(Cl)CCC1 D86029 [0,0,0,1,0,0|2,0,1]=4 58 B8R1.4 O=C1CCC[C@H](O)C1 P16037 [0,0,0,1,0,0|2,0,0]=3 59 B8R1.4 O=C1C[C@@H](F)CCN1 P19310 [0,0,0,1,0,0|2,0,0]=3 60 B8R1.6 CCC=C1CC(O)C1 AT14798 [0,0,0,1,0,0|3,0,0]=4 61 B8R1.8 CCCC1=NCCO1 T72500 [0,0,0,1,0,0|1,0,0]=2 62 B8R1.8 CCC[C@H]1CCCN1 N12832 [0,0,0,1,0,0|2,0,1]=4 63 B8R1.8 NCC[C@H]1CCCO1 AT11471 [0,0,0,1,0,0|2,0,1]=4 64 B8R1.8 OCC[C@H]1CCCO1 56770 [0,0,0,1,0,0|2,0,1]=4 65 B8R1.11 CC[C@H]1CCNC1=O AT18851 [0,0,0,1,0,0|1,0,0]=2 66 B8R1.11 CO[C@H]1CCCC1=O AT25997 [0,0,0,1,0,0|2,0,0]=3 67 B8R1.18 CC1=C(C)OC(=O)N1 AT18454 [0,0,0,1,0,0|1,0,2]=4 68 B8R1.18 CC1=NC(C)C(C)S1 A10763 [0,0,0,1,0,0|2,1,0]=4 69 B8R1.18 CC1CC(=O)OC1C AC8330 [0,0,0,1,0,0|0,0,0]=1 70 B8R1.18 CC1CC(=O)OC1O S10278 [0,0,0,1,0,0|1,0,0]=2 71 B8R1.18 CC1NC(=O)CC1O 94943 [0,0,0,1,0,0|2,0,0]=3 72 B8R1.18 C[C@@H]1NC(=O)OC1=O FD21041 [0,0,0,1,0,0|2,0,1]=4 73 B8R1.18 C[C@@H]1NC(=O)OC1=O FD21044 [0,0,0,1,0,0|2,0,1]=4 74 B8R1.18 C[C@@H]1OC(=O)NC1=O D75118 [0,0,0,1,0,0|2,0,1]=4 75 B8R1.22 C[C@H]1CCCCCN1 AT22104 [0,0,0,1,0,0|2,0,1]=4 76 B8R1.37 CCOC(=O)[C@@H]1CO1 A10023 [0,0,0,1,0,0|1,0,0]=2 77 B5R0.1 C=C(C)CCC D91296 [2,0,0,0,0,0|1,0,0]=3 78 B5R0.1 CC#CC(C)=O AC8567 [2,0,0,0,0,0|0,0,2]=4 79 B5R0.1 CC(=O)CCBr D82681 [2,0,0,0,0,0|1,0,0]=3 80 B5R0.1 CCC[C@H](C)N N10856 [2,0,0,0,0,0|1,0,1]=4 81 B5R0.1 CCC[C@H](C)N N15476 [2,0,0,0,0,0|1,0,1]=4 82 B5R0.1 CNCC(C)=O 72642 [2,0,0,0,0,0|1,0,0]=3 83 B5R0.1 CONC(C)=O AT24901 [2,0,0,0,0,0|2,0,0]=4 84 B5R0.1 C[S@](=O)CCN AT24516 [2,0,0,0,0,0|2,0,0]=4 85 B5R0.1 C[S@](=O)CCN AT24517 [2,0,0,0,0,0|2,0,0]=4 86 B5R0.1 C[S@](=O)CCO E72546 [2,0,0,0,0,0|2,0,0]=4 87 B5R0.1 NCCC(=O)O T70551 [2,0,0,0,0,0|1,0,0]=3 88 B5R0.1 NCCC(N)=O AC6190 [2,0,0,0,0,0|2,0,0]=4 89 B5R0.1 NCC[P@H](=O)O S12399 [2,0,0,0,0,0|2,0,0]=4 90 B5R0.1 [2H]C(=O)OCC D98566 [2,0,0,0,0,0|1,0,0]=3 91 B5R0.2 CCCNOC AT24927 [2,0,0,0,0,0|1,0,0]=3 92 B5R0.2 CONCCO AT24903 [2,0,0,0,0,0|2,0,0]=4 93 B5R0.2 C\C=C\CCN AT22492 [2,0,0,0,0,0|1,0,1]=4 94 B5R0.2 [2H]OCCCC D98922 [2,0,0,0,0,0|1,0,1]=4 95 B5R0.3 C=C(CC)CBr C77504 [2,0,0,0,0,0|2,0,0]=4 96 B5R0.3 C=C(CC)CC D90428 [2,0,0,0,0,0|1,0,0]=3 97 B5R0.3 CCC(=O)CCl AT22640 [2,0,0,0,0,0|1,0,0]=3 98 B5R0.3 CCP(Cl)CC A12755 [2,0,0,0,0,0|2,0,0]=4 99 B5R0.3 COC(=N)CCl H10399 [2,0,0,0,0,0|2,0,0]=4 100 B5R0.3 [2H]N(CC)CC D98468 [2,0,0,0,0,0|2,0,0]=4 101 B7R0.2 CC(C)CC(=O)CN F50535 [1,1,0,0,0,0|1,0,0]=3 102 B7R0.2 COC(=O)CN(C)C F21349 [1,1,0,0,0,0|1,0,0]=3 103 B7R0.2 COC(=O)C[C@H](C)N N13255 [1,1,0,0,0,0|0,0,0]=2 104 B7R0.3 CCC(=O)OCOC D72002 [1,1,0,0,0,0|0,0,0]=2 105 B7R0.3 CCCNC(=O)CN C78397 [1,1,0,0,0,0|1,0,0]=3 106 B7R0.3 CCONC(=O)CN AT14835 [1,1,0,0,0,0|1,0,0]=3 107 B7R0.3 CNC(=O)NCCO AT23083 [1,1,0,0,0,0|2,0,0]=4 108 B7R0.3 CNC(=O)OCCO AT13707 [1,1,0,0,0,0|1,0,0]=3 109 B7R0.3 CNOCC(=O)OC AT14517 [1,1,0,0,0,0|1,0,0]=3 110 B7R0.3 COC(=N)CCCCl C76486 [1,1,0,0,0,0|1,0,0]=3 111 B7R0.3 COC(=O)CCCN 32601 [1,1,0,0,0,0|0,0,0]=2 112 B7R0.3 COC(=O)NCCN AT13709 [1,1,0,0,0,0|1,0,0]=3 113 B7R0.3 COC(=O)\C=C\CO AT12483 [1,1,0,0,0,0|0,0,2]=4 114 B7R0.5 CC(C)C(=O)NCO 81303 [1,1,0,0,0,0|2,0,0]=4 115 B7R0.5 CCCC(=O)C(N)=O AC9508 [1,1,0,0,0,0|1,0,1]=4 116 B7R0.5 CCOC(=N)C(C)C W12825 [1,1,0,0,0,0|1,0,0]=3 117 B7R0.5 CN(C)C(=O)CCCl F53638 [1,1,0,0,0,0|2,0,0]=4 118 B7R0.5 CN(C)C(=O)CCN P17578 [1,1,0,0,0,0|2,0,0]=4 119 B7R0.5 CN(C)C(=O)OCCl C77477 [1,1,0,0,0,0|2,0,0]=4 120 B7R0.10 C=C(CC)C(=O)OC 82635 [1,1,0,0,0,0|0,0,1]=3 121 B7R0.10 CNC(=O)[C@@H](N)CO N10757 [1,1,0,0,0,0|2,0,0]=4 122 B7R0.10 COC(=O)[C@@H](Br)CF AT23055 [1,1,0,0,0,0|1,0,0]=3 123 B7R0.10 COC(=O)[C@@H](C)C=O AC6281 [1,1,0,0,0,0|1,0,1]=4 124 B7R0.10 COC(=O)[C@@H](Cl)C=O 89839 [1,1,0,0,0,0|1,0,1]=4 125 B7R0.10 COC(=O)[C@@H](F)CN 94842 [1,1,0,0,0,0|1,0,0]=3 126 B7R0.10 COC(=O)[C@@H](N)CO D87908 [1,1,0,0,0,0|1,0,0]=3 127 B7R0.10 COC(=O)[C@@H](O)CN A11345 [1,1,0,0,0,0|1,0,0]=3 128 B7R0.10 COC(=O)[C@H](C)OC 29231 [1,1,0,0,0,0|1,0,0]=3 129 B7R0.10 [C-]#[N+][C@@H](C)C(=O)OC AC8795 [1,1,0,0,0,0|1,0,1]=4 130 B7R0.11 CCCC(C)(C)CC T71064 [1,1,0,0,0,0|1,0,1]=4 131 B7R0.11 CCOC(C)(C)CC D78478 [1,1,0,0,0,0|1,0,1]=4 132 B7R0.11 CCS(=O)(=O)CCN AT25558 [1,1,0,0,0,0|2,0,0]=4 133 B7R0.1 C=CC\C=C\CCC T72633 [1,1,0,0,0,0|1,0,1]=4 134 B7R0.1 COCCOCCN F50617 [1,1,0,0,0,0|1,0,1]=4 135 B7R0.1 COCCOCCS AT10124 [1,1,0,0,0,0|1,0,1]=4 136 B7R0.1 OCC\C=C\CCO AT19969 [1,1,0,0,0,0|2,0,0]=4 137 B9R0.4 CCOCC(=O)OC(C)C 94622 [0,2,0,0,0,0|0,0,0]=2 138 B9R0.5 C#CCOCC(=O)OCC AT18918 [0,2,0,0,0,0|0,0,1]=3 139 B9R0.5 CCOC(=O)CCCNC AB10379 [0,2,0,0,0,0|0,0,0]=2 140 B9R0.5 CCOC(=O)CNCCN FD21627 [0,2,0,0,0,0|0,0,0]=2 141 B9R0.5 CCOC(=O)N\N=C\CCl F18063 [0,2,0,0,0,0|1,0,1]=4 142 B9R0.18 C=CCOC(=O)NCCO D74814 [0,2,0,0,0,0|1,0,1]=4 143 B9R0.34 C=C[C@@H](O)CC(=O)OCC AC6052 [0,2,0,0,0,0|0,0,1]=3 144 B9R0.34 CCOC(=O)C[C@H](O)CBr 11423 [0,2,0,0,0,0|0,0,0]=2 145 B9R0.34 CCOC(=O)C[C@H](O)CI CS2877 [0,2,0,0,0,0|0,0,0]=2 146 B9R0.34 CCOC(=O)\C=C(/C)CBr H10647 [0,2,0,0,0,0|0,0,2]=4 147 B9R0.48 CCOC(=O)\C=C\C(C)C W15771 [0,2,0,0,0,0|0,0,1]=3 148 B9R0.48 CCOC(=O)\C=C\C(F)F 72388 [0,2,0,0,0,0|0,0,2]=4 149 B9R0.6 C=C(C)C(=O)C(=O)OCC 90758 [0,2,0,0,0,0|0,0,2]=4 150 B9R0.6 CCOC(=O)[C@@H](F)C(=O)O C91038 [0,2,0,0,0,0|1,0,1]=4 151 B9R0.6 CCOC(=O)[C@@H](N)C(C)=O 93013 [0,2,0,0,0,0|0,0,1]=3 152 B9R0.6 CCOC(=O)\C(C)=C(\C)N 96849 [0,2,0,0,0,0|0,0,2]=4 153 B9R0.19 CCOC(=O)C(F)(F)CO C15704 [0,2,0,0,0,0|1,0,0]=3 154 B9R0.19 CCOC(=O)[C@@](C)(N)CC D78556 [0,2,0,0,0,0|0,0,0]=2 155 B9R0.37 CCOC(=O)[C@@H](CC)CN 97590 [0,2,0,0,0,0|0,0,0]=2 156 B9R0.37 CCOC(=O)\C(CBr)=N/O 88092 [0,2,0,0,0,0|1,0,1]=4 157 B9R0.44 CC(C)(C)OC(=O)CCCl C15988 [0,2,0,0,0,0|1,0,0]=3 158 B9R0.44 CCOC(=O)CS(N)(=O)=O AC6353 [0,2,0,0,0,0|2,0,0]=4 159 B9R0.44 CCOC(=O)NC(C)(C)C AC9360 [0,2,0,0,0,0|1,0,0]=3 160 B9R0.44 CONC(=O)OC(C)(C)C O12143 [0,2,0,0,0,0|2,0,0]=4 161 B9R0.15 CCC[C@H](OCC)C(=O)O AC7206 [0,2,0,0,0,0|0,0,1]=3 162 B9R0.15 CCOC(OCC)C(=O)O AT19756 [0,2,0,0,0,0|1,0,1]=4 163 B9R0.59 C#CP(=O)(OCC)OCC AT23363 [0,2,0,0,0,0|2,0,0]=4 164 B7R1.1 CCC1CCCC1 T71889 [1,0,0,1,0,0|1,0,1]=4 165 B7R1.1 CC[C@H]1CCCN1 N12693 [1,0,0,1,0,0|1,0,1]=4 166 B7R1.1 COC1=NCCN1 D98226 [1,0,0,1,0,0|2,0,0]=4 167 B7R1.2 CN1CCC(=O)C1 64219 [1,0,0,1,0,0|1,0,0]=3 168 B7R1.2 C[C@@H]1CNC(=O)C1 P15842 [1,0,0,1,0,0|1,0,0]=3 169 B7R1.2 C[C@@H]1COC(=O)C1 AT23255 [1,0,0,1,0,0|0,0,0]=2 170 B7R1.2 C[C@H]1CC[C@@H](C)C1 T70658 [1,0,0,1,0,0|1,0,1]=4 171 B7R1.2 C[C@H]1CNC(=O)O1 C13778 [1,0,0,1,0,0|1,0,0]=3 172 B7R1.2 C[C@H]1COC(=O)N1 C77658 [1,0,0,1,0,0|1,0,0]=3 173 B7R1.2 C[C@H]1NCC(=O)N1 F31285 [1,0,0,1,0,0|2,0,0]=4 174 B7R1.2 C[C@H]1NCC(=O)N1 F31286 [1,0,0,1,0,0|2,0,0]=4 175 B7R1.2 N[C@H]1CCC(=O)C1 C14417 [1,0,0,1,0,0|1,0,0]=3 176 B7R1.2 O=C1CC[C@H](F)C1 P11910 [1,0,0,1,0,0|1,0,0]=3 177 B7R1.2 O=C1C[C@H](S)CN1 39278 [1,0,0,1,0,0|2,0,0]=4 178 B7R1.3 C=C1CCCNC1 W15931 [1,0,0,1,0,0|2,0,0]=4 179 B7R1.3 C=C1CCNCC1 33821 [1,0,0,1,0,0|2,0,0]=4 180 B7R1.3 ClC1=CCCCC1 FD10699 [1,0,0,1,0,0|1,0,1]=4 181 B7R1.3 O=S1CCOCC1 A51207 [1,0,0,1,0,0|2,0,0]=4 182 B7R1.3 S=C1CCCCC1 N16924 [1,0,0,1,0,0|0,1,0]=3 183 B7R1.4 C[C@@H]1CCC[C@@H]1N 97379 [1,0,0,1,0,0|1,0,1]=4 184 B7R1.4 C[C@H]1CCNC1=O C74322 [1,0,0,1,0,0|1,0,0]=3 185 B7R1.4 C[C@H]1CNCC1=O F13737 [1,0,0,1,0,0|1,0,0]=3 186 B7R1.4 C[C@H]1COCC1=O AT13358 [1,0,0,1,0,0|1,0,0]=3 187 B7R1.4 N[C@H]1CCOC1=O S11138 [1,0,0,1,0,0|1,0,0]=3 188 B7R1.4 O=C1CCCC1=O AC2232 [1,0,0,1,0,0|1,0,1]=4 189 B7R1.8 N#C[C@H]1CCC1=O 98576 [1,0,0,1,0,0|1,0,1]=4 190 B7R1.21 CCCC1(O)CC1 AT11368 [1,0,0,1,0,0|0,0,2]=4 191 B7R1.21 CCOC1(Br)CC1 F53374 [1,0,0,1,0,0|1,0,1]=4 192 B7R1.21 CCOC1(N)CC1 AT19095 [1,0,0,1,0,0|1,0,1]=4 193 B7R1.22 CCC(=O)C1CC1 P11281 [1,0,0,1,0,0|0,0,0]=2 194 B7R1.22 NCC(=O)C1CC1 C77542 [1,0,0,1,0,0|1,0,0]=3 195 B7R1.24 C1=CCCNCC1 C13802 [1,0,0,1,0,0|2,0,0]=4 196 B7R1.24 C1CCCNCC1 D77224 [1,0,0,1,0,0|1,0,1]=4 197 B7R1.24 C1CCNNCC1 AB9014 [1,0,0,1,0,0|2,0,0]=4 198 B9R1.2 CC[C@H]1CC(=O)CCN1 S10989 [0,1,0,1,0,0|2,0,0]=4 199 B9R1.2 COC1=CC(=O)CCC1 63648 [0,1,0,1,0,0|1,0,1]=4 200 B9R1.12 C=CCCC1=NCCO1 AC8910 [0,1,0,1,0,0|1,0,1]=4 201 B9R1.12 CNCC[C@H]1CCCO1 F20641 [0,1,0,1,0,0|1,0,1]=4 202 B9R1.12 NCCOC1CCCC1 AC3097 [0,1,0,1,0,0|1,0,1]=4 203 B9R1.15 CCN1CCCNC1=O AT26678 [0,1,0,1,0,0|1,0,0]=3 204 B9R1.15 CC[C@H]1CNCCC1=O O11002 [0,1,0,1,0,0|1,0,0]=3 205 B9R1.15 O=C1CCCC[C@@H]1CO F18113 [0,1,0,1,0,0|2,0,0]=4 206 B9R1.22 CC[C@@H]1NC(=O)OC1=O AC5827 [0,1,0,1,0,0|1,0,1]=4 207 B9R1.22 CC[C@@H]1NC(=O)OC1=O AC7387 [0,1,0,1,0,0|1,0,1]=4 208 B9R1.27 CC[C@@H]1C(=O)NN=C1C H11582 [0,1,0,1,0,0|1,0,1]=4 209 B9R1.33 C#CCN1CCOC1=O D75631 [0,1,0,1,0,0|0,0,2]=4 210 B9R1.33 COC[C@H]1CCNC1=O AT19084 [0,1,0,1,0,0|1,0,0]=3 211 B9R1.33 N#CCN1CCCC1=O W15995 [0,1,0,1,0,0|1,0,1]=4 212 B9R1.33 O=C1NCC[C@@H]1CCO AT19068 [0,1,0,1,0,0|1,0,0]=3 213 B9R1.33 O=C1OCCN1CCBr AT18747 [0,1,0,1,0,0|1,0,0]=3 214 B9R1.48 CN1CCCNC(=O)C1 AT20054 [0,1,0,1,0,0|2,0,0]=4 215 B9R1.49 O=C1CCNC(=O)CC1 C91705 [0,1,0,1,0,0|1,0,1]=4 216 B9R1.69 CN1CC[C@H](N)CC1=O P10312 [0,1,0,1,0,0|2,0,0]=4 217 B9R1.69 O=C1C[C@@H](O)[C@@H](O)CN1 81439 [0,1,0,1,0,0|2,0,0]=4 218 B9R1.73 CCOC(=O)C1CSC1 F18444 [0,1,0,1,0,0|0,0,0]=2 219 B9R1.73 CCOC(=O)[C@@H]1CCN1 C16350 [0,1,0,1,0,0|0,0,0]=2 220 B9R1.73 CCOC(=O)[C@@H]1CCN1 D87602 [0,1,0,1,0,0|0,0,0]=2 221 B9R1.75 CNCC(=O)NC1CC1 F52060 [0,1,0,1,0,0|2,0,0]=4 222 B9R1.5 CN1CCNCCC1=O AT20060 [0,1,0,1,0,0|2,0,0]=4 223 B9R1.5 C[C@@H]1OCCCNC1=O 73063 [0,1,0,1,0,0|2,0,0]=4 224 B9R1.5 N[C@H]1CSCCNC1=O C16734 [0,1,0,1,0,0|2,0,0]=4 225 B9R1.5 O=C1CCCCC[C@@H]1Br AT20921 [0,1,0,1,0,0|1,0,0]=3 226 B9R1.5 O=C1CCCCC[C@@H]1Cl T71318 [0,1,0,1,0,0|1,0,0]=3 227 B9R1.5 O=C1CCNCC[C@@H]1Br C90706 [0,1,0,1,0,0|2,0,0]=4 228 B9R1.5 O=C1NCCCC[C@@H]1Br F50955 [0,1,0,1,0,0|1,0,0]=3 229 B9R1.37 CC1C(O)CC(=O)N1C AT19118 [0,1,0,1,0,0|2,0,0]=4 230 B9R1.74 CCOC(=O)C1(Cl)CC1 96432 [0,1,0,1,0,0|0,0,0]=2 231 B9R1.132 CN[C@H]1CCN(C)C1=O AT19093 [0,1,0,1,0,0|2,0,0]=4 232 B9R1.202 C[C@]1(CO)CCNC1=O AT19085 [0,1,0,1,0,0|2,0,0]=4 233 B9R1.34 CC1CC(=O)CC(C)N1 F12422 [0,1,0,1,0,0|1,0,0]=3 234 B9R1.34 CC1CC(=O)CC(C)S1 89934 [0,1,0,1,0,0|1,0,0]=3 235 B9R1.34 CC1CC(=O)NC(=O)C1 D73894 [0,1,0,1,0,0|1,0,1]=4 236 B9R1.34 CC1CC(O)CC(C)O1 AT13096 [0,1,0,1,0,0|1,0,1]=4 237 B9R1.34 C[C@H]1CC(=O)C[C@@H](C)N1 S11085 [0,1,0,1,0,0|1,0,0]=3 238 B9R1.34 C[C@H]1CC(=O)C[C@H](C)O1 P14538 [0,1,0,1,0,0|1,0,0]=3 239 B9R1.38 CC1=CC(=O)OC1(C)C D75456 [0,1,0,1,0,0|0,0,2]=4 240 B9R1.41 CC(=O)[C@@H]1CCCC1=O F17111 [0,1,0,1,0,0|1,0,1]=4 241 B9R1.41 CC(C)[C@@H]1CCNC1=O D72753 [0,1,0,1,0,0|1,0,0]=3 242 B9R1.41 CN(C)[C@H]1CCNC1=O AT19092 [0,1,0,1,0,0|2,0,0]=4 243 B9R1.66 CC1(C)CC(=O)CCS1 89936 [0,1,0,1,0,0|2,0,0]=4 244 B9R1.66 CC1(C)CC=CC(=O)C1 F12457 [0,1,0,1,0,0|1,0,1]=4 245 B9R1.66 O=C1CC(F)(F)CCN1 P21020 [0,1,0,1,0,0|2,0,0]=4 246 B9R1.89 O=CC1CCCCCC1 AT13628 [0,1,0,1,0,0|1,0,1]=4 247 B9R1.109 CCOS(=O)(=O)C1CC1 S11650 [0,1,0,1,0,0|1,0,0]=3 248 B9R2.39 CC1=CC2CCC1C2 75573 [0,0,0,2,0,0|2,0,0]=4 249 B9R2.39 O=C1OC2CCC1C2 P17974 [0,0,0,2,0,0|0,0,0]=2 250 B9R2.7 O=C1N[C@H]2CCC[C@@H]12 F12974 [0,0,0,2,0,0|1,0,0]=3 251 B9R2.5 O=C1OCCC12CC2 33775 [0,0,0,2,0,0|0,0,0]=2