0 B7R1.2 CC1=CC(=O)CC1 M22783 [0,0,0,0,0,0|2,0,0]=2 1 B7R1.2 CC1=CC(=O)CO1 M41117 [0,0,0,0,0,0|3,0,0]=3 2 B7R1.2 CC1=CC(=O)NN1 M12010 [0,0,0,0,0,0|4,0,0]=4 3 B7R1.2 CC1=CC(=O)NO1 M68379 [0,0,0,0,0,0|4,0,0]=4 4 B7R1.2 CC1=CC=C(Br)O1 B41015 [0,0,0,0,0,0|2,0,2]=4 5 B7R1.2 CC1=NN=C(Br)O1 B62443 [0,0,0,0,0,0|4,0,0]=4 6 B7R1.2 CC1=NN=C(C)O1 D13454 [0,0,0,0,0,0|4,0,0]=4 7 B7R1.2 CC1=NN=C(N)O1 M5216 [0,0,0,0,0,0|4,0,0]=4 8 B7R1.2 CC1=NNC(=O)C1 M68628 [0,0,0,0,0,0|4,0,0]=4 9 B7R1.2 CC1=NNC(=O)O1 M39837 [0,0,0,0,0,0|3,0,0]=3 10 B7R1.2 CC1=NNC(=S)O1 M62067 [0,0,0,0,0,0|3,1,0]=4 11 B7R1.2 CN1CCC(=O)C1 M5444 [0,0,0,0,0,0|3,0,0]=3 12 B7R1.2 C[C@@H]1CNC(=O)C1 P22910 [0,0,0,0,0,0|3,0,1]=4 13 B7R1.2 C[C@@H]1COC(=O)N1 M32194 [0,0,0,0,0,0|3,0,1]=4 14 B7R1.2 C[C@H]1CCC(=O)N1 M61805 [0,0,0,0,0,0|2,0,1]=3 15 B7R1.2 C[C@H]1COC(=O)N1 M40226 [0,0,0,0,0,0|3,0,1]=4 16 B7R1.2 NC1=CC(=O)NN1 A0899 [0,0,0,0,0,0|4,0,0]=4 17 B7R1.2 NC1=NC(=O)CO1 A39836 [0,0,0,0,0,0|3,0,0]=3 18 B7R1.2 NC1=NC(=O)CS1 A2444 [0,0,0,0,0,0|3,0,0]=3 19 B7R1.2 NC1=NC(=O)CS1 A67692 [0,0,0,0,0,0|3,0,0]=3 20 B7R1.2 NC1=NC(=O)NN1 A39769 [0,0,0,0,0,0|4,0,0]=4 21 B7R1.2 NC1=NCC(=O)S1 A64749 [0,0,0,0,0,0|2,1,0]=3 22 B7R1.2 NC1=NNC(=O)C1 A39854 [0,0,0,0,0,0|4,0,0]=4 23 B7R1.2 N[C@@H]1CNC(=O)C1 A11620 [0,0,0,0,0,0|3,0,1]=4 24 B7R1.2 N[C@@H]1CNC(=O)C1 A20556 [0,0,0,0,0,0|3,0,1]=4 25 B7R1.2 N[C@@H]1CNC(=O)C1 A24834 [0,0,0,0,0,0|3,0,1]=4 26 B7R1.2 N[C@@H]1CNC(=O)C1 P21713 [0,0,0,0,0,0|3,0,1]=4 27 B7R1.2 N[C@@H]1COC(=O)C1 A40337 [0,0,0,0,0,0|3,0,1]=4 28 B7R1.2 N[C@H]1CNC(=O)C1 A27147 [0,0,0,0,0,0|3,0,1]=4 29 B7R1.2 N[C@H]1COC(=O)C1 A37707 [0,0,0,0,0,0|3,0,1]=4 30 B7R1.2 O=C1C=C(Br)CO1 B3416 [0,0,0,0,0,0|3,0,0]=3 31 B7R1.2 O=C1CC(O)=CO1 H1405 [0,0,0,0,0,0|2,0,2]=4 32 B7R1.2 O=C1CCC(=O)C1 C13761 [0,0,0,0,0,0|1,0,0]=1 33 B7R1.2 O=C1CC[C@H](O)C1 H22750 [0,0,0,0,0,0|1,0,2]=3 34 B7R1.2 O=C1CNC(=O)N1 K68378 [0,0,0,0,0,0|2,0,0]=2 35 B7R1.2 O=C1CNC(=O)O1 X68377 [0,0,0,0,0,0|1,0,0]=1 36 B7R1.2 O=C1CSC(=O)N1 T69276 [0,0,0,0,0,0|2,0,0]=2 37 B7R1.2 O=C1CSC(=S)N1 T68348 [0,0,0,0,0,0|2,1,0]=3 38 B7R1.2 O=C1C[C@@H](O)CN1 H22487 [0,0,0,0,0,0|2,0,2]=4 39 B7R1.2 O=C1C[C@@H](S)CN1 M12154 [0,0,0,0,0,0|2,1,1]=4 40 B7R1.2 O=C1C[C@H](O)CN1 H15629 [0,0,0,0,0,0|2,0,2]=4 41 B7R1.2 O=C1C[C@H](O)CN1 H38056 [0,0,0,0,0,0|2,0,2]=4 42 B7R1.2 O=C1OC[C@H](F)O1 F39135 [0,0,0,0,0,0|2,0,1]=3 43 B6R1.2 CC1=NCCC1 M41239 [1,0,0,0,0,0|2,0,1]=4 44 B6R1.2 CC1=NN=CO1 M32022 [1,0,0,0,0,0|3,0,0]=4 45 B6R1.2 IC1=NC=CO1 I11270 [1,0,0,0,0,0|2,0,1]=4 46 B6R1.2 NC1=NC=CO1 O5740 [1,0,0,0,0,0|2,0,1]=4 47 B6R1.2 NC1=NCCC1 D38561 [1,0,0,0,0,0|2,0,1]=4 48 B6R1.2 O=C1C=CCC1 C26583 [1,0,0,0,0,0|1,0,0]=2 49 B6R1.2 O=C1C=CCO1 F5673 [1,0,0,0,0,0|2,0,0]=3 50 B6R1.2 O=C1C=CNN1 P32282 [1,0,0,0,0,0|3,0,0]=4 51 B6R1.2 O=C1C=CSN1 T60536 [1,0,0,0,0,0|3,0,0]=4 52 B6R1.2 O=C1CC=CC1 C19712 [1,0,0,0,0,0|1,0,1]=3 53 B6R1.2 O=C1CC=NN1 P39834 [1,0,0,0,0,0|2,0,1]=4 54 B6R1.2 O=C1CCNC1 P0198 [1,0,0,0,0,0|2,0,0]=3 55 B6R1.2 O=C1CCNN1 P39917 [1,0,0,0,0,0|2,0,0]=3 56 B6R1.2 O=C1CCOC1 X0391 [1,0,0,0,0,0|2,0,0]=3 57 B6R1.2 O=C1CCSC1 D10906 [1,0,0,0,0,0|2,0,0]=3 58 B6R1.2 O=C1NC=CN1 K39835 [1,0,0,0,0,0|2,0,1]=4 59 B6R1.2 O=C1NC=CO1 X39828 [1,0,0,0,0,0|1,0,1]=3 60 B6R1.2 O=C1NCCN1 K62398 [1,0,0,0,0,0|2,0,1]=4 61 B6R1.2 O=C1NCCS1 T39859 [1,0,0,0,0,0|1,1,1]=4 62 B8R1.1 CC1=NN=C(C=O)O1 M36607 [0,1,0,0,0,0|3,0,0]=4 63 B8R1.1 COC1=CC(=O)CC1 M61379 [0,1,0,0,0,0|1,0,1]=3 64 B8R1.1 COC1=CC(=O)NC1 M41169 [0,1,0,0,0,0|2,0,1]=4 65 B8R1.1 NC[C@@H]1CCC(=O)N1 A19938 [0,1,0,0,0,0|2,0,1]=4 66 B8R1.1 NC[C@@H]1CNC(=O)O1 A27512 [0,1,0,0,0,0|2,0,1]=4 67 B8R1.1 NC[C@H]1CCC(=O)N1 A64040 [0,1,0,0,0,0|2,0,1]=4 68 B8R1.1 NC[C@H]1CNC(=O)O1 A10733 [0,1,0,0,0,0|2,0,1]=4 69 B8R1.1 NC[C@H]1CNC(=O)O1 A21197 [0,1,0,0,0,0|2,0,1]=4 70 B8R1.1 O=C1C=C(CBr)CO1 B31582 [0,1,0,0,0,0|3,0,0]=4 71 B8R1.1 O=C1C=C(CI)CO1 I6261 [0,1,0,0,0,0|3,0,0]=4 72 B8R1.1 O=C1C=C(CO)CO1 H1535 [0,1,0,0,0,0|2,0,1]=4 73 B8R1.1 O=C1CC[C@@H](CBr)N1 B41220 [0,1,0,0,0,0|2,0,1]=4 74 B8R1.1 O=C1CC[C@@H](CO)N1 H21817 [0,1,0,0,0,0|1,0,2]=4 75 B8R1.1 O=C1CC[C@@H](CO)O1 H41229 [0,1,0,0,0,0|0,0,2]=3 76 B8R1.1 O=C1CC[C@H](CBr)N1 B32099 [0,1,0,0,0,0|2,0,1]=4 77 B8R1.1 O=C1CC[C@H](CBr)O1 B66357 [0,1,0,0,0,0|1,0,1]=3 78 B8R1.1 O=C1CC[C@H](CI)N1 I2851 [0,1,0,0,0,0|2,0,1]=4 79 B8R1.1 O=C1CC[C@H](CI)O1 I2850 [0,1,0,0,0,0|1,0,1]=3 80 B8R1.1 O=C1CC[C@H](CO)N1 H24798 [0,1,0,0,0,0|1,0,2]=4 81 B8R1.1 O=C1CC[C@H](CO)N1 H7102 [0,1,0,0,0,0|1,0,2]=4 82 B8R1.1 O=C1CC[C@H](CO)O1 H5013 [0,1,0,0,0,0|0,0,2]=3 83 B8R1.1 O=C1NC[C@@H](CCl)O1 C40210 [0,1,0,0,0,0|2,0,1]=4 84 B8R1.1 O=C1NC[C@@H](CO)O1 H26969 [0,1,0,0,0,0|1,0,2]=4 85 B8R1.1 O=C1NC[C@H](CO)O1 H25217 [0,1,0,0,0,0|1,0,2]=4 86 B8R1.1 O=CC1=CC=C(Br)O1 B67849 [0,1,0,0,0,0|1,0,2]=4 87 B8R1.1 O=CC1=CC=C(Cl)O1 C38278 [0,1,0,0,0,0|1,0,2]=4 88 B8R1.18 CC1=C(C)OC(=O)O1 D39178 [0,1,0,0,0,0|2,0,1]=4 89 B8R1.18 CC1=CC(=O)C[C@@H]1C D43712 [0,1,0,0,0,0|2,0,0]=3 90 B8R1.18 CC1=CC(=O)OC1=O C60582 [0,1,0,0,0,0|0,0,2]=3 91 B8R1.18 CC1=CC(=O)O[C@@H]1O H32216 [0,1,0,0,0,0|3,0,0]=4 92 B8R1.18 CC1=CC(=O)[C@H](C)O1 D43303 [0,1,0,0,0,0|3,0,0]=4 93 B8R1.18 C[C@@H]1NC(=O)OC1=O M40162 [0,1,0,0,0,0|1,0,0]=2 94 B8R1.18 C[C@H]1CC(=O)OC1=O M41122 [0,1,0,0,0,0|0,0,0]=1 95 B8R1.18 NN1CC(=O)NC1=O A39913 [0,1,0,0,0,0|2,0,0]=3 96 B8R1.18 O=C1C=C(Br)C(=O)O1 B69515 [0,1,0,0,0,0|0,0,2]=3 97 B8R1.18 O=C1C=C(Cl)[C@@H](O)O1 C40066 [0,1,0,0,0,0|3,0,0]=4 98 B8R1.50 CC1C(=O)CCC1=O M25293 [0,1,0,0,0,0|1,0,0]=2 99 B8R1.50 CN1C(=O)C=CC1=O M62371 [0,1,0,0,0,0|1,0,2]=4 100 B8R1.50 CN1C(=O)CSC1=O M40160 [0,1,0,0,0,0|2,0,0]=3 101 B8R1.50 CN1C(=O)CSC1=S M29859 [0,1,0,0,0,0|2,1,0]=4 102 B8R1.50 O=C1CCC(=O)N1Br B37031 [0,1,0,0,0,0|1,0,0]=2 103 B8R1.50 O=C1CCC(=O)N1I I1787 [0,1,0,0,0,0|1,0,0]=2 104 B8R1.50 O=C1CCC(=O)N1O H68064 [0,1,0,0,0,0|1,0,0]=2 105 B8R1.50 O=C1OCC(Br)=C1Br D2821 [0,1,0,0,0,0|3,0,0]=4 106 B8R1.51 CC1(C)CCC(=O)N1 D38848 [0,1,0,0,0,0|2,0,1]=4 107 B8R1.51 CC1(C)CCC(=O)O1 D41465 [0,1,0,0,0,0|1,0,1]=3 108 B8R1.51 O=C1CCS(=O)(=O)C1 D8866 [0,1,0,0,0,0|2,0,0]=3 109 B6R0.1 CC=CC(=O)CC H41457 [0,0,1,0,0,0|2,0,0]=3 110 B6R0.1 CCOC(=O)CN G69291 [0,0,1,0,0,0|2,0,1]=4 111 B6R0.1 CCOC(=O)CO E37817 [0,0,1,0,0,0|2,0,1]=4 112 B6R0.1 CCOC(=O)OC E40254 [0,0,1,0,0,0|2,0,1]=4 113 B6R0.1 COC(=O)OCCl C62332 [0,0,1,0,0,0|2,0,1]=4 114 B6R0.1 COC(=O)\C=C/Br B3417 [0,0,1,0,0,0|3,0,0]=4 115 B6R0.1 COC(=O)\C=C/I I2748 [0,0,1,0,0,0|3,0,0]=4 116 B6R0.1 COC(=O)\C=C\I M40173 [0,0,1,0,0,0|3,0,0]=4 117 B6R0.2 CC(=O)C=C(C)N A41256 [0,0,1,0,0,0|2,0,0]=3 118 B6R0.2 CC(=O)NC(C)C P40402 [0,0,1,0,0,0|2,0,1]=4 119 B6R0.2 CC(=O)O[C@H](C)Br B40231 [0,0,1,0,0,0|1,0,1]=3 120 B6R0.4 C#CCCC(=O)O P68088 [0,0,1,0,0,0|1,0,1]=3 121 B6R0.4 C=CCCC(=O)O P37823 [0,0,1,0,0,0|1,0,0]=2 122 B6R0.4 C=CCCC(N)=O P5022 [0,0,1,0,0,0|2,0,0]=3 123 B6R0.4 C=C\C=C/C(=O)O P41118 [0,0,1,0,0,0|1,0,2]=4 124 B6R0.4 CC(=O)CCCCl C68599 [0,0,1,0,0,0|2,0,1]=4 125 B6R0.4 CCCCC(=O)[O-] S38573 [0,0,1,0,0,0|1,0,2]=4 126 B6R0.4 CNCCC(=O)O M40350 [0,0,1,0,0,0|2,0,0]=3 127 B6R0.4 COCCC(=O)O M40255 [0,0,1,0,0,0|2,0,0]=3 128 B6R0.4 N#CCCC(=O)O C69146 [0,0,1,0,0,0|1,0,1]=3 129 B6R0.4 NCCCC(N)=O A40304 [0,0,1,0,0,0|2,0,1]=4 130 B6R0.4 O=C(O)CCCBr B39154 [0,0,1,0,0,0|1,0,1]=3 131 B6R0.4 O=C(O)CCCCl C40232 [0,0,1,0,0,0|1,0,1]=3 132 B8R2.18 O=C1CC2CC2C1 B43299 [0,0,0,1,0,0|2,0,1]=4 133 B6R1.4 C[C@@H]1OCC1=O M61882 [0,0,0,0,1,0|2,0,1]=4 134 B6R1.4 C[C@H]1COC1=O M6342 [0,0,0,0,1,0|2,0,1]=4 135 B6R1.4 N[C@@H]1CNC1=O A60450 [0,0,0,0,1,0|2,0,1]=4 136 B6R1.4 N[C@H]1CNC1=O A39918 [0,0,0,0,1,0|2,0,1]=4 137 B6R1.5 CC1CC(=O)C1 M17286 [0,0,0,0,1,0|2,0,1]=4 138 B6R1.5 NC1CC(=O)C1 A0660 [0,0,0,0,1,0|2,0,1]=4 139 B6R1.5 O=C1CC(Br)C1 B8012 [0,0,0,0,1,0|2,0,1]=4 140 B6R1.5 O=C1CC(F)C1 F13109 [0,0,0,0,1,0|2,0,1]=4 141 B6R1.5 O=C1CC(O)C1 H10121 [0,0,0,0,1,0|1,0,2]=4 142 B8R1.3 CC1=NNC(=O)CC1 M41199 [0,0,0,0,0,1|2,0,0]=3 143 B8R1.3 CC1CCC(=O)CC1 M39288 [0,0,0,0,0,1|2,0,1]=4 144 B8R1.3 CN1CCC(=O)CC1 M28326 [0,0,0,0,0,1|3,0,0]=4 145 B8R1.3 C[C@H]1CCC(=O)NC1 P23074 [0,0,0,0,0,1|2,0,1]=4 146 B8R1.3 NC1CCC(=O)CC1 A38581 [0,0,0,0,0,1|2,0,1]=4 147 B8R1.3 N[C@H]1CCC(=O)NC1 A0587 [0,0,0,0,0,1|2,0,1]=4 148 B8R1.3 O=C1CCC(=O)NC1 P24057 [0,0,0,0,0,1|1,0,0]=2 149 B8R1.3 O=C1CCC(O)CC1 H18838 [0,0,0,0,0,1|1,0,2]=4 150 B8R1.3 O=C1CC[C@H](O)CN1 H22093 [0,0,0,0,0,1|1,0,2]=4 151 B8R1.3 O=C1CNC(=O)CN1 P61806 [0,0,0,0,0,1|2,0,0]=3 152 B8R1.3 O=C1COC(=O)CO1 D40112 [0,0,0,0,0,1|1,0,0]=2 153 B8R1.4 CN1CCCC(=O)C1 M13651 [0,0,0,0,0,1|3,0,0]=4 154 B8R1.4 CN1CCNC(=O)C1 M6975 [0,0,0,0,0,1|3,0,0]=4 155 B8R1.4 CN1CCOC(=O)C1 M41260 [0,0,0,0,0,1|3,0,0]=4 156 B8R1.4 C[C@@H]1CC(=O)CCN1 M10735 [0,0,0,0,0,1|2,0,1]=4 157 B8R1.4 C[C@@H]1CC(=O)CCO1 M11329 [0,0,0,0,0,1|2,0,1]=4 158 B8R1.4 C[C@@H]1CNCC(=O)N1 M13313 [0,0,0,0,0,1|2,0,1]=4 159 B8R1.4 C[C@@H]1COCC(=O)N1 M17373 [0,0,0,0,0,1|2,0,1]=4 160 B8R1.4 C[C@H]1CC(=O)CCN1 M10734 [0,0,0,0,0,1|2,0,1]=4 161 B8R1.4 C[C@H]1CC(=O)CCN1 M19737 [0,0,0,0,0,1|2,0,1]=4 162 B8R1.4 C[C@H]1CC(=O)CCN1 M8156 [0,0,0,0,0,1|2,0,1]=4 163 B8R1.4 C[C@H]1CC(=O)CCO1 M11328 [0,0,0,0,0,1|2,0,1]=4 164 B8R1.4 C[C@H]1CC(=O)CCO1 M14197 [0,0,0,0,0,1|2,0,1]=4 165 B8R1.4 C[C@H]1CCCC(=O)N1 M23832 [0,0,0,0,0,1|2,0,1]=4 166 B8R1.4 C[C@H]1CCNC(=O)C1 M23793 [0,0,0,0,0,1|2,0,1]=4 167 B8R1.4 C[C@H]1CNCC(=O)N1 M11164 [0,0,0,0,0,1|2,0,1]=4 168 B8R1.4 NC1=CC(=O)CCC1 A9456 [0,0,0,0,0,1|2,0,0]=3 169 B8R1.4 N[C@H]1CCNC(=O)C1 A0054 [0,0,0,0,0,1|2,0,1]=4 170 B8R1.4 N[C@H]1CCNC(=O)C1 A37105 [0,0,0,0,0,1|2,0,1]=4 171 B8R1.4 O=C1C=NNC(=O)N1 T67999 [0,0,0,0,0,1|2,0,1]=4 172 B8R1.4 O=C1CCCC(=O)C1 C38740 [0,0,0,0,0,1|1,0,0]=2 173 B8R1.4 O=C1CCCC(=O)N1 P69653 [0,0,0,0,0,1|1,0,0]=2 174 B8R1.4 O=C1CCNC(=O)C1 P7969 [0,0,0,0,0,1|1,0,0]=2 175 B8R1.4 O=C1CNCC(=O)N1 P10757 [0,0,0,0,0,1|1,0,0]=2 176 B8R1.4 O=C1COCC(=O)C1 P7984 [0,0,0,0,0,1|1,0,0]=2 177 B8R1.4 O=C1CSCC(=O)C1 T15232 [0,0,0,0,0,1|1,0,0]=2 178 B8R1.4 O=C1C[C@@H](O)CCN1 H38902 [0,0,0,0,0,1|1,0,2]=4 179 B8R1.4 O=C1C[C@@H](O)CCN1 H41262 [0,0,0,0,0,1|1,0,2]=4 180 B8R1.4 O=C1[CH-]C(=O)COC1 S41303 [0,0,0,0,0,1|1,0,0]=2 181 B5R0.1 C#CCC(=O)O B38084 [1,0,1,0,0,0|0,0,2]=4 182 B5R0.1 C=C(C)OCC E5573 [1,0,1,0,0,0|1,0,1]=4 183 B5R0.1 CC(=O)CCCl C69539 [1,0,1,0,0,0|2,0,0]=4 184 B5R0.1 CCOC(C)=N E68065 [1,0,1,0,0,0|1,0,1]=4 185 B5R0.1 CNCC(=O)O M68590 [1,0,1,0,0,0|1,0,1]=4 186 B5R0.1 COCC(=O)O M69331 [1,0,1,0,0,0|1,0,1]=4 187 B5R0.1 NCCC(N)=O A67869 [1,0,1,0,0,0|2,0,0]=4 188 B5R0.1 NCC[P@H](=O)O A39788 [1,0,1,0,0,0|2,0,0]=4 189 B5R0.1 NOCC(=O)O C40302 [1,0,1,0,0,0|2,0,0]=4 190 B5R0.1 O=C(O)\C=C\Br B9431 [1,0,1,0,0,0|1,0,1]=4 191 B5R0.2 C=CCCCO P36921 [1,0,1,0,0,0|1,0,1]=4 192 B5R0.3 C=CC(=O)NC M37664 [1,0,1,0,0,0|2,0,0]=4 193 B5R0.3 CCC(=O)CN A32390 [1,0,1,0,0,0|1,0,1]=4 194 B5R0.3 CCC(=O)CO H36713 [1,0,1,0,0,0|0,0,2]=4 195 B5R0.3 COC(=O)CN M69126 [1,0,1,0,0,0|1,0,1]=4 196 B5R0.3 COC(=O)CO M67586 [1,0,1,0,0,0|1,0,1]=4 197 B5R1.1 C1=COC=N1 X1773 [2,0,0,0,0,0|1,0,1]=4 198 B7R0.2 CCC(=O)CC(C)=O H69646 [0,1,1,0,0,0|1,0,0]=3 199 B7R0.2 CCC(=O)OC(C)=O A41227 [0,1,1,0,0,0|0,0,0]=2 200 B7R0.2 COC(=O)CC(=O)Cl M40174 [0,1,1,0,0,0|2,0,0]=4 201 B7R0.2 COC(=O)CC(=O)O M37882 [0,1,1,0,0,0|2,0,0]=4 202 B7R0.2 COC(=O)CC(=O)[O-] P67199 [0,1,1,0,0,0|2,0,0]=4 203 B7R0.3 C=CCOC(=O)CI P7846 [0,1,1,0,0,0|2,0,0]=4 204 B7R0.3 COC(=O)CNC=O M40228 [0,1,1,0,0,0|2,0,0]=4 205 B7R0.5 CC(C)C(=O)OCCl C24559 [0,1,1,0,0,0|1,0,1]=4 206 B7R0.5 CCOC(=O)[C@@H](C)N A39194 [0,1,1,0,0,0|1,0,1]=4 207 B7R0.5 CCOC(=O)[C@@H](C)O E68607 [0,1,1,0,0,0|1,0,1]=4 208 B7R0.5 CCOC(=O)[C@H](C)F E41270 [0,1,1,0,0,0|1,0,1]=4 209 B7R0.5 CCOC(=O)[C@H](C)S E40385 [0,1,1,0,0,0|1,0,1]=4 210 B7R0.7 CCOC(=O)CCBr E39188 [0,1,1,0,0,0|1,0,1]=4 211 B7R0.7 CCOC(=O)CCI E41273 [0,1,1,0,0,0|1,0,1]=4 212 B7R0.7 CCOC(=O)CCO E36682 [0,1,1,0,0,0|1,0,1]=4 213 B7R0.7 CCOC(=O)CNC S69399 [0,1,1,0,0,0|1,0,1]=4 214 B7R0.7 CCOC(=O)CSC E40386 [0,1,1,0,0,0|1,0,1]=4 215 B7R0.7 CCOC(=O)OCCl C38646 [0,1,1,0,0,0|1,0,1]=4 216 B7R0.7 CCOC(=O)[CH-]C=O E29890 [0,1,1,0,0,0|1,0,0]=3 217 B7R0.7 CCOC(=O)\C=C\I E41181 [0,1,1,0,0,0|2,0,0]=4 218 B7R0.9 CC(=O)O[Si](C)(C)C T40435 [0,1,1,0,0,0|1,1,0]=4 219 B7R0.4 C#CCCCC(=O)O H43301 [0,1,1,0,0,0|1,0,1]=4 220 B7R0.4 CCCOCC(=O)O P40387 [0,1,1,0,0,0|1,0,1]=4 221 B7R0.4 CNCCCC(=O)O M63276 [0,1,1,0,0,0|1,0,1]=4 222 B7R0.4 COCCCC(=O)O M67387 [0,1,1,0,0,0|0,0,2]=4 223 B7R0.4 N#CCCCC(=O)O C41166 [0,1,1,0,0,0|1,0,1]=4 224 B7R0.4 O=C(O)CCCCBr B39187 [0,1,1,0,0,0|1,0,1]=4 225 B7R0.4 O=C(O)CCCCCl C39191 [0,1,1,0,0,0|1,0,1]=4 226 B7R0.4 O=C(O)CCCCO H37199 [0,1,1,0,0,0|0,0,2]=4 227 B7R0.4 O=C(O)CNCCO H40270 [0,1,1,0,0,0|0,0,2]=4 228 B7R0.4 O=C(O)COCCCl C40236 [0,1,1,0,0,0|1,0,1]=4 229 B7R0.4 [N-]=[N+]=NCCC(=O)O A1939 [0,1,1,0,0,0|2,0,0]=4 230 B7R0.6 CC(=O)CCC(C)=O H64912 [0,1,1,0,0,0|1,0,0]=3 231 B7R0.6 CC(=O)CNC(C)=O X41261 [0,1,1,0,0,0|2,0,0]=4 232 B7R0.6 CN(C)CCC(=O)O D41335 [0,1,1,0,0,0|2,0,0]=4 233 B7R0.6 NC(=O)CCC(=O)O A63078 [0,1,1,0,0,0|0,0,0]=2 234 B7R0.6 O=C(O)CCC(F)F D59737 [0,1,1,0,0,0|1,0,1]=4 235 B7R1.1 O=CC1=CCCC1 C69466 [1,1,0,0,0,0|1,0,1]=4 236 B7R1.1 O=CC1=CN=CO1 X11928 [1,1,0,0,0,0|1,0,1]=4 237 B7R1.4 C[C@@H]1OCCC1=O M41223 [1,1,0,0,0,0|2,0,0]=4 238 B7R1.4 C[C@H]1CCCC1=O M41458 [1,1,0,0,0,0|1,0,1]=4 239 B7R1.4 C[C@H]1CCNC1=O M41257 [1,1,0,0,0,0|1,0,1]=4 240 B7R1.4 C[C@H]1CCOC1=O M41224 [1,1,0,0,0,0|0,0,1]=3 241 B7R1.4 NN1CCCC1=O A22230 [1,1,0,0,0,0|1,0,1]=4 242 B7R1.4 N[C@@H]1CCNC1=O A40242 [1,1,0,0,0,0|1,0,1]=4 243 B7R1.4 N[C@@H]1CCNC1=O A62971 [1,1,0,0,0,0|1,0,1]=4 244 B7R1.4 N[C@@H]1CCOC1=O H68344 [1,1,0,0,0,0|0,0,1]=3 245 B7R1.4 N[C@H]1CCNC1=O A24294 [1,1,0,0,0,0|1,0,1]=4 246 B7R1.4 N[C@H]1CCOC1=O A40300 [1,1,0,0,0,0|0,0,1]=3 247 B7R1.4 N[C@H]1CCOC1=O A40335 [1,1,0,0,0,0|0,0,1]=3 248 B7R1.4 O=C1CCC=C1Br B3409 [1,1,0,0,0,0|1,0,0]=3 249 B7R1.4 O=C1CCC=C1O H41119 [1,1,0,0,0,0|1,0,0]=3 250 B7R1.4 O=C1NCC[C@@H]1O H20173 [1,1,0,0,0,0|1,0,1]=4 251 B7R1.4 O=C1NCC[C@@H]1O H37914 [1,1,0,0,0,0|1,0,1]=4 252 B7R1.4 O=C1NCC[C@H]1O H40227 [1,1,0,0,0,0|1,0,1]=4 253 B7R1.4 O=C1OCC[C@@H]1Br B31114 [1,1,0,0,0,0|0,0,1]=3 254 B7R1.14 O=S1(=O)C=CCC1 D1486 [1,1,0,0,0,0|2,0,0]=4 255 B7R1.14 O=S1(=O)CCCO1 X68360 [1,1,0,0,0,0|1,0,1]=4 256 B7R1.8 O=C1CC[C@@H]1CO H13228 [0,1,0,0,1,0|0,0,2]=4 257 B7R1.17 CC1(C)CCC1=O D60316 [0,1,0,0,1,0|1,0,1]=4 258 B9R1.1 O=CC1CCC(=O)CC1 X43715 [0,1,0,0,0,1|1,0,1]=4 259 B9R1.10 O=C1CCS(=O)(=O)CC1 T6205 [0,1,0,0,0,1|2,0,0]=4 260 B9R1.69 CN1CC(=O)NCC1=O M15489 [0,1,0,0,0,1|2,0,0]=4 261 B9R1.69 C[C@@H]1NC(=O)CNC1=O M65174 [0,1,0,0,0,1|2,0,0]=4 262 B9R1.3 CC1C(=O)CCCC1=O M69234 [0,1,0,0,0,1|1,0,0]=3 263 B9R1.3 CN1C(=O)CCCC1=O M37753 [0,1,0,0,0,1|1,0,0]=3 264 B9R1.3 CN1C(=O)CNCC1=O M13399 [0,1,0,0,0,1|1,0,0]=3 265 B9R1.3 O=C1CCCC(O)=C1I H60380 [0,1,0,0,0,1|1,0,1]=4 266 B9R1.34 CC1CC(=O)CC(=O)C1 M43717 [0,1,0,0,0,1|1,0,0]=3 267 B9R1.34 O=C1CC(=O)OC(=O)C1 P40864 [0,1,0,0,0,1|0,0,0]=2 268 B9R1.66 O=C1CS(=O)(=O)CCN1 T63235 [0,1,0,0,0,1|2,0,0]=4 269 B9R1.21 O=CC1=CC=C(C=O)O1 F65460 [0,2,0,0,0,0|0,0,2]=4 270 B9R1.22 O=C1C[C@H](O)[C@@H](CO)O1 H29811 [0,2,0,0,0,0|0,0,2]=4 271 B9R1.35 CC(=O)N1CCC(=O)C1 A38370 [0,2,0,0,0,0|2,0,0]=4 272 B9R1.35 O=C1CC[C@@H](C(=O)O)C1 X15326 [0,2,0,0,0,0|1,0,1]=4 273 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 X22343 [0,2,0,0,0,0|0,0,1]=3 274 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 X38776 [0,2,0,0,0,0|0,0,1]=3 275 B9R1.35 O=C1CC[C@@H](C(=O)O)S1 X10747 [0,2,0,0,0,0|0,1,1]=4 276 B9R1.35 O=C1CC[C@H](C(=O)O)C1 O7893 [0,2,0,0,0,0|1,0,1]=4 277 B9R1.35 O=C1CC[C@H](C(=O)O)C1 X15325 [0,2,0,0,0,0|1,0,1]=4 278 B9R1.35 O=C1CC[C@H](C(=O)O)O1 X37943 [0,2,0,0,0,0|0,0,1]=3 279 B9R1.132 COC1=C(Br)C(=O)CC1 B61380 [0,2,0,0,0,0|1,0,1]=4 280 B9R1.37 CC1=C(C)C(=O)OC1=O D68903 [0,2,0,0,0,0|0,0,2]=4 281 B9R1.37 C[C@H]1C(=O)OC(=O)N1C D24385 [0,2,0,0,0,0|1,0,0]=3 282 B9R1.37 O=C1OC(=O)C(Br)=C1Br D32378 [0,2,0,0,0,0|0,0,2]=4 283 B9R1.38 CC1(C)CC(=O)OC1=O D67953 [0,2,0,0,0,0|0,0,0]=2 284 B9R1.38 CC1(C)NC(=O)NC1=O D10013 [0,2,0,0,0,0|2,0,0]=4 285 B9R1.38 CC1(C)OC(=O)NC1=O D60733 [0,2,0,0,0,0|2,0,0]=4 286 B9R1.106 CC1(C)C(=O)CCC1=O D43718 [0,2,0,0,0,0|1,0,0]=3 287 B7R1.18 O=C(O)C1CCC1 C39184 [0,0,1,1,0,0|1,0,1]=4 288 B7R1.18 O=C(O)C1CNC1 A0022 [0,0,1,1,0,0|2,0,0]=4 289 B7R1.18 O=C(O)C1CNC1 A62344 [0,0,1,1,0,0|2,0,0]=4 290 B7R1.18 O=C(O)[C@@H]1CCN1 A0692 [0,0,1,1,0,0|1,0,1]=4 291 B7R1.18 O=C(O)[C@@H]1CCN1 A0705 [0,0,1,1,0,0|1,0,1]=4 292 B7R1.18 O=C(O)[C@@H]1CCO1 X60210 [0,0,1,1,0,0|0,0,2]=4 293 B7R1.18 O=C(O)[C@@H]1CCO1 X6939 [0,0,1,1,0,0|0,0,2]=4 294 B7R1.18 O=C(O)[C@H]1CCN1 A0706 [0,0,1,1,0,0|1,0,1]=4 295 B7R1.18 O=C(O)[C@H]1CCN1 A40336 [0,0,1,1,0,0|1,0,1]=4 296 B7R1.18 O=C(O)[C@H]1CCO1 X60294 [0,0,1,1,0,0|0,0,2]=4 297 B9R2.25 O=C1OC(=O)C2CC12 X24282 [0,0,0,1,0,1|0,0,0]=2 298 B9R2.39 O=C1OC2CCC1C2 X31814 [0,0,0,1,0,1|1,0,1]=4 299 B9R2.39 O=C1O[C@@H]2CN[C@H]1C2 X43582 [0,0,0,1,0,1|1,0,1]=4 300 B5R0.5 CC(=O)C(=O)[O-] C43424 [0,0,1,0,1,0|1,0,0]=3 301 B5R0.5 O=C(O)C(=O)O A69569 [0,0,1,0,1,0|2,0,0]=4 302 B5R0.5 O=C(O)C(=O)O E39942 [0,0,1,0,1,0|2,0,0]=4 303 B5R1.2 O=C1CCC1 C8674 [1,0,0,0,1,0|0,0,1]=3 304 B5R1.2 O=C1CNC1 A1318 [1,0,0,0,1,0|1,0,1]=4 305 B5R1.2 O=C1COC1 O4015 [1,0,0,0,1,0|1,0,1]=4 306 B5R1.2 O=C1CSC1 T6026 [1,0,0,0,1,0|1,0,1]=4 307 B9R1.48 O=C1CCCCC(=O)C1 C37584 [0,0,0,0,0,2|1,0,0]=3 308 B9R1.48 O=C1CCCNC(=O)C1 A43379 [0,0,0,0,0,2|1,0,0]=3