0 B7R0.3 C=CC(=O)NCCN A41315 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.3 CCCCC(=O)NN P40425 [0,0,0,0,0,0|2,0,0]=2 2 B7R0.3 CCCC[C@@H](N)CO A43512 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.3 CCCC[C@@H]([Mg+])CC E31708 [0,0,0,0,0,0|2,0,1]=3 4 B7R0.3 CCCOC(=O)OC M40388 [0,0,0,0,0,0|1,0,0]=1 5 B7R0.3 CNCCC(=O)OC M40412 [0,0,0,0,0,0|1,0,0]=1 6 B7R0.3 COC(=N)CCCCl M40379 [0,0,0,0,0,0|2,0,0]=2 7 B7R0.3 COC(=O)C=CCBr M37461 [0,0,0,0,0,0|1,0,2]=3 8 B7R0.3 COC(=O)CCCBr M39189 [0,0,0,0,0,0|1,0,0]=1 9 B7R0.3 COC(=O)CCCCl M60517 [0,0,0,0,0,0|1,0,0]=1 10 B7R0.3 COC(=O)CCCN M32376 [0,0,0,0,0,0|1,0,0]=1 11 B7R0.3 COC(=O)CN=[N+]=[N-] M3461 [0,0,0,0,0,0|3,0,0]=3 12 B7R0.3 COC(=O)CNC=O M40228 [0,0,0,0,0,0|2,0,1]=3 13 B7R0.3 COC(=O)\C=C\CBr M41176 [0,0,0,0,0,0|1,0,2]=3 14 B7R0.3 COC=CC(=O)OC M39186 [0,0,0,0,0,0|1,0,2]=3 15 B7R0.3 CO\C=C\C(=O)OC M41228 [0,0,0,0,0,0|1,0,2]=3 16 B6R0.1 C#CCC(=O)OC M41116 [1,0,0,0,0,0|0,0,2]=3 17 B6R0.1 CC#CC(=O)OC M62298 [1,0,0,0,0,0|0,0,2]=3 18 B6R0.1 CC=CC(=O)CC H41457 [1,0,0,0,0,0|1,0,2]=4 19 B6R0.1 CCC[C@@H](Cl)CC C63946 [1,0,0,0,0,0|2,0,1]=4 20 B6R0.1 CCOC(=O)C#N E15572 [1,0,0,0,0,0|3,0,0]=4 21 B6R0.1 CCOC(=O)CN G69291 [1,0,0,0,0,0|3,0,0]=4 22 B6R0.1 CCOC(=O)CO E37817 [1,0,0,0,0,0|3,0,0]=4 23 B6R0.1 CCOC(=O)NN E39139 [1,0,0,0,0,0|3,0,0]=4 24 B6R0.1 CCOC(=O)OC E40254 [1,0,0,0,0,0|1,0,0]=2 25 B6R0.1 CNC(=O)CC#N C40181 [1,0,0,0,0,0|2,0,1]=4 26 B6R0.1 CNC(=O)CCN A40306 [1,0,0,0,0,0|2,0,0]=3 27 B6R0.1 COC(=O)C#CBr M38132 [1,0,0,0,0,0|1,0,2]=4 28 B6R0.1 COC(=O)CC#N M68915 [1,0,0,0,0,0|1,0,1]=3 29 B6R0.1 COC(=O)CCBr M39155 [1,0,0,0,0,0|1,0,0]=2 30 B6R0.1 COC(=O)CCN M67902 [1,0,0,0,0,0|1,0,0]=2 31 B6R0.1 COC(=O)CCO M24551 [1,0,0,0,0,0|1,0,0]=2 32 B6R0.1 COC(=O)OCCl C62332 [1,0,0,0,0,0|2,0,0]=3 33 B6R0.1 COC(=O)\C=C/Br B3417 [1,0,0,0,0,0|1,0,2]=4 34 B6R0.1 COC(=O)\C=C/I I2748 [1,0,0,0,0,0|1,0,2]=4 35 B6R0.1 COC(=O)\C=C\I M40173 [1,0,0,0,0,0|1,0,2]=4 36 B6R0.1 COCC(=O)NN M39884 [1,0,0,0,0,0|3,0,0]=4 37 B6R0.1 CO[C@@H](C)CCO M68623 [1,0,0,0,0,0|2,0,1]=4 38 B6R0.4 C#CCCC(=O)O P68088 [1,0,0,0,0,0|0,0,2]=3 39 B6R0.4 C=CCCC(=O)O P37823 [1,0,0,0,0,0|0,0,2]=3 40 B6R0.4 C=CCCC(N)=O P5022 [1,0,0,0,0,0|1,0,2]=4 41 B6R0.4 CC(=O)CCCCl C68599 [1,0,0,0,0,0|1,0,0]=2 42 B6R0.4 CC(=O)NCCN A68626 [1,0,0,0,0,0|2,0,0]=3 43 B6R0.4 CC(=O)NCCO H68625 [1,0,0,0,0,0|2,0,0]=3 44 B6R0.4 CC(=O)OCCBr B67892 [1,0,0,0,0,0|2,0,0]=3 45 B6R0.4 CC(C)=CCCBr B0351 [1,0,0,0,0,0|2,0,1]=4 46 B6R0.4 CC(C)=CCC[Mg+] M31885 [1,0,0,0,0,0|2,0,1]=4 47 B6R0.4 CC(C)CCCO M67872 [1,0,0,0,0,0|2,0,1]=4 48 B6R0.4 CCCCC(=N)N P41343 [1,0,0,0,0,0|2,0,0]=3 49 B6R0.4 CCCCC(=O)[O-] S38573 [1,0,0,0,0,0|0,0,1]=2 50 B6R0.4 CCCOC(N)=O P40264 [1,0,0,0,0,0|2,0,0]=3 51 B6R0.4 CN(C)CCCBr B40430 [1,0,0,0,0,0|3,0,0]=4 52 B6R0.4 CN(C)CCCCl C69241 [1,0,0,0,0,0|3,0,0]=4 53 B6R0.4 CNCCC(=O)O M40350 [1,0,0,0,0,0|1,0,0]=2 54 B6R0.4 CNCCN(C)C T41392 [1,0,0,0,0,0|3,0,0]=4 55 B6R0.4 COC=CC(C)=O M41222 [1,0,0,0,0,0|1,0,2]=4 56 B6R0.4 COCCC(=O)O M40255 [1,0,0,0,0,0|1,0,0]=2 57 B6R0.4 N#CCCC(=O)O C69146 [1,0,0,0,0,0|1,0,1]=3 58 B6R0.4 NCCCC(N)=O A40304 [1,0,0,0,0,0|2,0,0]=3 59 B6R0.4 O=C(O)CCCBr B39154 [1,0,0,0,0,0|1,0,0]=2 60 B6R0.4 O=C(O)CCCCl C40232 [1,0,0,0,0,0|1,0,0]=2 61 B6R0.4 O=C(O)\C=C\CBr B37272 [1,0,0,0,0,0|1,0,2]=4 62 B6R0.6 CC=CCCCO H41548 [1,0,0,0,0,0|2,0,0]=3 63 B6R0.6 CCCCCC[Mg+] H31703 [1,0,0,0,0,0|2,0,1]=4 64 B6R0.6 CCCCCNC M41618 [1,0,0,0,0,0|1,0,1]=3 65 B6R0.6 CCCCN=[N+]=[N-] A1814 [1,0,0,0,0,0|3,0,0]=4 66 B6R0.6 CCC\C=C\CO H41550 [1,0,0,0,0,0|2,0,1]=4 67 B6R0.6 CNCCCCBr B40429 [1,0,0,0,0,0|2,0,1]=4 68 B6R0.6 CNCCCCO M38840 [1,0,0,0,0,0|2,0,1]=4 69 B6R0.6 COCCCCBr B40422 [1,0,0,0,0,0|1,0,1]=3 70 B8R0.1 C#CCCC(=O)CCO H6251 [0,1,0,0,0,0|1,0,2]=4 71 B8R0.1 CCCC[C@H](N)CCO A62132 [0,1,0,0,0,0|2,0,1]=4 72 B8R0.1 CCOC(=O)CCC#N E63052 [0,1,0,0,0,0|1,0,1]=3 73 B8R0.1 CCOC(=O)CCCBr B69333 [0,1,0,0,0,0|1,0,0]=2 74 B8R0.1 CCOC(=O)CCCI E31893 [0,1,0,0,0,0|1,0,0]=2 75 B8R0.1 CCOC(=O)CCCN E43487 [0,1,0,0,0,0|1,0,0]=2 76 B8R0.1 CCOC(=O)CCNC E41584 [0,1,0,0,0,0|1,0,0]=2 77 B8R0.1 CCOC(=O)CCSC E39202 [0,1,0,0,0,0|1,0,0]=2 78 B8R0.1 CCOC(=O)\C=C\CBr E43399 [0,1,0,0,0,0|1,0,2]=4 79 B8R0.1 CCOCC(=O)OCC E41554 [0,1,0,0,0,0|1,0,0]=2 80 B8R0.3 C=CC[C@H](N)C(=O)OC M37082 [0,1,0,0,0,0|0,0,2]=3 81 B8R0.3 CCC[C@@H](N)C(=O)OC M66692 [0,1,0,0,0,0|0,0,0]=1 82 B8R0.3 CCC[C@H](N)C(=O)OC M43489 [0,1,0,0,0,0|0,0,0]=1 83 B8R0.3 CCN[C@@H](C)C(=O)OC M32327 [0,1,0,0,0,0|1,0,0]=2 84 B8R0.3 CCOC(=O)C(=O)CC E67705 [0,1,0,0,0,0|2,0,1]=4 85 B8R0.3 COC[C@@H](N)C(=O)OC M38225 [0,1,0,0,0,0|1,0,0]=2 86 B8R0.6 CCCC=CC(=O)OC M43802 [0,1,0,0,0,0|0,0,1]=2 87 B8R0.6 CCCCCC(=O)CBr B43868 [0,1,0,0,0,0|2,0,0]=3 88 B8R0.6 CCCCC[C@@H](O)CC X47206 [0,1,0,0,0,0|1,0,2]=4 89 B8R0.6 CCCCNC(=O)CCl B41547 [0,1,0,0,0,0|2,0,0]=3 90 B8R0.6 CNCCCC(=O)OC M43486 [0,1,0,0,0,0|0,0,0]=1 91 B8R0.6 COC(=O)CCCCBr M41523 [0,1,0,0,0,0|0,0,0]=1 92 B8R0.6 COC(=O)CCCCCl M63406 [0,1,0,0,0,0|0,0,0]=1 93 B8R0.6 COC(=O)CCCCN M43490 [0,1,0,0,0,0|0,0,0]=1 94 B8R0.6 COC(=O)COCCCl M41275 [0,1,0,0,0,0|1,0,0]=2 95 B8R0.6 COCCCC(=O)OC M68350 [0,1,0,0,0,0|0,0,0]=1 96 B8R0.8 CCCCC(=O)[C@H](C)N A46508 [0,1,0,0,0,0|1,0,0]=2 97 B8R0.9 COC(=O)CCC(=O)Cl C6883 [0,1,0,0,0,0|1,0,1]=3 98 B8R0.9 COC(=O)CCC(=O)O M37827 [0,1,0,0,0,0|1,0,1]=3 99 B8R0.9 COC(=O)NCC(=O)O M40229 [0,1,0,0,0,0|2,0,1]=4 100 B8R0.11 CCCC[C@H](CC)CBr E67613 [0,1,0,0,0,0|2,0,1]=4 101 B8R0.11 CCCC[C@H](CC)CO E60781 [0,1,0,0,0,0|1,0,2]=4 102 B8R0.11 CCCC[C@H](CC)C[Mg+] E31710 [0,1,0,0,0,0|2,0,1]=4 103 B8R0.11 COC(CCCCl)OC C41597 [0,1,0,0,0,0|1,0,2]=4 104 B8R0.19 CCC(=O)CC(=O)CC H43801 [0,1,0,0,0,0|1,0,1]=3 105 B8R0.19 CCC(=O)CC(=O)OC M39036 [0,1,0,0,0,0|0,0,1]=2 106 B8R0.19 CC[C@H](N)CC(=O)OC M43495 [0,1,0,0,0,0|0,0,0]=1 107 B8R0.19 CNC(C)=CC(=O)OC M41506 [0,1,0,0,0,0|1,0,2]=4 108 B8R0.19 COC(=O)CC(=O)CCl M61620 [0,1,0,0,0,0|1,0,1]=3 109 B8R0.19 COC(=O)CC(=O)OC D60836 [0,1,0,0,0,0|1,0,1]=3 110 B8R0.19 COC(=O)C[C@@H](O)CCl M41276 [0,1,0,0,0,0|1,0,0]=2 111 B8R0.19 COC(=O)\C=C(/C)OC M5601 [0,1,0,0,0,0|1,0,2]=4 112 B8R0.25 CCS(=O)(=O)CCCO E4265 [0,1,0,0,0,0|3,0,0]=4 113 B8R0.25 CCS(=O)(=O)CCOC E2827 [0,1,0,0,0,0|3,0,0]=4 114 B8R1.1 C=C[C@@H]1COC(=O)C1 V64256 [0,0,0,1,0,0|0,0,2]=3 115 B8R1.1 C=C[C@@H]1COC(=O)C1 V64417 [0,0,0,1,0,0|0,0,2]=3 116 B8R1.1 COC1=CC(=O)CC1 M61379 [0,0,0,1,0,0|2,0,1]=4 117 B8R1.1 COC1CCC(N)C1 M27196 [0,0,0,1,0,0|2,0,1]=4 118 B8R1.1 NC[C@@H]1CCC(=O)N1 A19938 [0,0,0,1,0,0|3,0,0]=4 119 B8R1.1 NC[C@@H]1CNC(=O)C1 A15732 [0,0,0,1,0,0|2,0,0]=3 120 B8R1.1 NC[C@@H]1CNC(=O)C1 A27672 [0,0,0,1,0,0|2,0,0]=3 121 B8R1.1 NC[C@@H]1CNC(=O)C1 A7263 [0,0,0,1,0,0|2,0,0]=3 122 B8R1.1 NC[C@@H]1CNC(=O)O1 A27512 [0,0,0,1,0,0|3,0,0]=4 123 B8R1.1 NC[C@H]1CCC(=O)N1 A64040 [0,0,0,1,0,0|3,0,0]=4 124 B8R1.1 NC[C@H]1CNC(=O)C1 A18478 [0,0,0,1,0,0|2,0,0]=3 125 B8R1.1 NC[C@H]1CNC(=O)C1 A27671 [0,0,0,1,0,0|2,0,0]=3 126 B8R1.1 NC[C@H]1CNC(=O)O1 A10733 [0,0,0,1,0,0|3,0,0]=4 127 B8R1.1 NC[C@H]1CNC(=O)O1 A21197 [0,0,0,1,0,0|3,0,0]=4 128 B8R1.1 NC[C@H]1COC(=O)N1 A13336 [0,0,0,1,0,0|2,0,0]=3 129 B8R1.1 O=C1C=C(CBr)CO1 B31582 [0,0,0,1,0,0|1,0,2]=4 130 B8R1.1 O=C1C=C(CI)CO1 I6261 [0,0,0,1,0,0|1,0,2]=4 131 B8R1.1 O=C1C=C(CO)CO1 H1535 [0,0,0,1,0,0|1,0,2]=4 132 B8R1.1 O=C1CC[C@@H](CBr)N1 B41220 [0,0,0,1,0,0|3,0,0]=4 133 B8R1.1 O=C1CC[C@@H](CO)N1 H21817 [0,0,0,1,0,0|3,0,0]=4 134 B8R1.1 O=C1CC[C@@H](CO)O1 H41229 [0,0,0,1,0,0|3,0,0]=4 135 B8R1.1 O=C1CC[C@H](CBr)N1 B32099 [0,0,0,1,0,0|3,0,0]=4 136 B8R1.1 O=C1CC[C@H](CBr)O1 B66357 [0,0,0,1,0,0|3,0,0]=4 137 B8R1.1 O=C1CC[C@H](CI)N1 I2851 [0,0,0,1,0,0|3,0,0]=4 138 B8R1.1 O=C1CC[C@H](CI)O1 I2850 [0,0,0,1,0,0|3,0,0]=4 139 B8R1.1 O=C1CC[C@H](CO)N1 H24798 [0,0,0,1,0,0|3,0,0]=4 140 B8R1.1 O=C1CC[C@H](CO)N1 H7102 [0,0,0,1,0,0|3,0,0]=4 141 B8R1.1 O=C1CC[C@H](CO)O1 H5013 [0,0,0,1,0,0|3,0,0]=4 142 B8R1.1 O=C1C[C@H](CO)CN1 H14660 [0,0,0,1,0,0|2,0,0]=3 143 B8R1.1 O=C1NC[C@@H](CCl)O1 C40210 [0,0,0,1,0,0|3,0,0]=4 144 B8R1.1 O=C1NC[C@@H](CO)O1 H26969 [0,0,0,1,0,0|3,0,0]=4 145 B8R1.1 O=C1NC[C@H](CO)O1 H25217 [0,0,0,1,0,0|3,0,0]=4 146 B8R1.1 O=C1N[C@@H](CI)CO1 K40211 [0,0,0,1,0,0|2,0,0]=3 147 B8R1.1 O=C1N[C@@H](CO)CO1 H62331 [0,0,0,1,0,0|2,0,0]=3 148 B8R1.2 BrCC1=CCCCC1 B10308 [0,0,0,1,0,0|3,0,0]=4 149 B8R1.2 CC[C@H]1CCCCN1 E46502 [0,0,0,1,0,0|2,0,1]=4 150 B8R1.2 COC1=CCOCC1 M5825 [0,0,0,1,0,0|2,0,0]=3 151 B8R1.2 COC1CCNCC1 M0482 [0,0,0,1,0,0|2,0,1]=4 152 B8R1.2 COC1CCNCC1 M1164 [0,0,0,1,0,0|2,0,1]=4 153 B8R1.2 CO[C@@H]1CCCNC1 M10269 [0,0,0,1,0,0|2,0,1]=4 154 B8R1.2 CO[C@@H]1CCCNC1 M10270 [0,0,0,1,0,0|2,0,1]=4 155 B8R1.2 CO[C@H]1CCCNC1 M10271 [0,0,0,1,0,0|2,0,1]=4 156 B8R1.2 CO[C@H]1CCCNC1 M1167 [0,0,0,1,0,0|2,0,1]=4 157 B8R1.2 CO[C@H]1CCCNC1 M7502 [0,0,0,1,0,0|2,0,1]=4 158 B8R1.2 NO[C@@H]1CCCCO1 T24832 [0,0,0,1,0,0|1,0,2]=4 159 B8R1.3 CC1=NNC(=O)CC1 M41199 [0,0,0,1,0,0|2,0,1]=4 160 B8R1.3 CC1CCC(=O)CC1 M39288 [0,0,0,1,0,0|1,0,0]=2 161 B8R1.3 CC1CCC(O)CC1 M61965 [0,0,0,1,0,0|1,0,2]=4 162 B8R1.3 CN1CCC(=O)CC1 M28326 [0,0,0,1,0,0|2,0,0]=3 163 B8R1.3 C[C@@H]1CNC(=O)CN1 M29571 [0,0,0,1,0,0|2,0,0]=3 164 B8R1.3 C[C@@H]1CO[C@H](C)CN1 D43484 [0,0,0,1,0,0|2,0,1]=4 165 B8R1.3 C[C@H]1CCC(=O)NC1 P23074 [0,0,0,1,0,0|1,0,0]=2 166 B8R1.3 C[C@H]1CC[C@@H](N)CC1 M46505 [0,0,0,1,0,0|2,0,1]=4 167 B8R1.3 C[C@H]1CC[C@H](N)CC1 M46506 [0,0,0,1,0,0|2,0,1]=4 168 B8R1.3 C[C@H]1CC[C@H](N)CC1 M68368 [0,0,0,1,0,0|2,0,1]=4 169 B8R1.3 C[C@H]1CNC(=O)CN1 M17917 [0,0,0,1,0,0|2,0,0]=3 170 B8R1.3 C[C@H]1CN[C@H](C)CO1 D41580 [0,0,0,1,0,0|2,0,1]=4 171 B8R1.3 C[C@H]1CO[C@@H](C)CN1 D43485 [0,0,0,1,0,0|2,0,1]=4 172 B8R1.3 NC1CCC(=O)CC1 A38581 [0,0,0,1,0,0|2,0,0]=3 173 B8R1.3 N[C@H]1CCC(=O)NC1 A0587 [0,0,0,1,0,0|2,0,0]=3 174 B8R1.3 O=C1CCC(=O)NC1 P24057 [0,0,0,1,0,0|2,0,1]=4 175 B8R1.3 O=C1CCC(O)CC1 H18838 [0,0,0,1,0,0|2,0,0]=3 176 B8R1.3 O=C1CC[C@H](O)CN1 H22093 [0,0,0,1,0,0|2,0,0]=3 177 B8R1.3 O=C1COC(=O)CO1 D40112 [0,0,0,1,0,0|2,0,1]=4 178 B8R1.5 CC1=NCCCN1C D39201 [0,0,0,1,0,0|3,0,0]=4 179 B8R1.5 CN1CCNCC1=O M12652 [0,0,0,1,0,0|2,0,0]=3 180 B8R1.5 CN1CCNCC1=O M4395 [0,0,0,1,0,0|2,0,0]=3 181 B8R1.5 C[C@@H]1CCCC[C@@H]1N M46507 [0,0,0,1,0,0|2,0,1]=4 182 B8R1.5 C[C@H]1CCCCC1=O M68370 [0,0,0,1,0,0|1,0,0]=2 183 B8R1.5 C[C@H]1CCCNC1=O P23372 [0,0,0,1,0,0|2,0,0]=3 184 B8R1.5 C[C@H]1CCNCC1=O M14887 [0,0,0,1,0,0|2,0,0]=3 185 B8R1.5 C[C@H]1CNCCC1=O M14880 [0,0,0,1,0,0|2,0,0]=3 186 B8R1.5 C[C@H]1CNCCC1=O M41497 [0,0,0,1,0,0|2,0,0]=3 187 B8R1.5 C[C@H]1COCCC1=O M11408 [0,0,0,1,0,0|2,0,0]=3 188 B8R1.5 NN1CCCCC1=O A41312 [0,0,0,1,0,0|2,0,0]=3 189 B8R1.5 N[C@@H]1CCCNC1=O A41314 [0,0,0,1,0,0|3,0,0]=4 190 B8R1.5 N[C@H]1CCCCC1=O A63504 [0,0,0,1,0,0|2,0,0]=3 191 B8R1.5 N[C@H]1CCCNC1=O A38933 [0,0,0,1,0,0|3,0,0]=4 192 B8R1.5 N[C@H]1CCCNC1=O A41313 [0,0,0,1,0,0|3,0,0]=4 193 B8R1.5 N[C@H]1CCCNC1=O A64847 [0,0,0,1,0,0|3,0,0]=4 194 B8R1.5 O=C1CCCC=C1Br B3408 [0,0,0,1,0,0|2,0,1]=4 195 B8R1.5 O=C1CCCCC1=O C67839 [0,0,0,1,0,0|2,0,0]=3 196 B8R1.5 O=C1CCNC[C@@H]1F F11694 [0,0,0,1,0,0|3,0,0]=4 197 B8R1.5 O=C1CCNC[C@@H]1F F13759 [0,0,0,1,0,0|3,0,0]=4 198 B8R1.5 O=C1CCOC[C@@H]1Br B7711 [0,0,0,1,0,0|3,0,0]=4 199 B8R1.5 O=C1CCOC[C@@H]1F F5739 [0,0,0,1,0,0|3,0,0]=4 200 B8R1.5 O=C1NCCC[C@@H]1Br B41219 [0,0,0,1,0,0|3,0,0]=4 201 B8R1.5 O=C1NCCC[C@@H]1O H36756 [0,0,0,1,0,0|3,0,0]=4 202 B8R1.22 O=C1C=CCCCC1 C67890 [0,0,0,1,0,0|1,0,1]=3 203 B8R1.22 O=C1CCCNCC1 H12307 [0,0,0,1,0,0|2,0,0]=3 204 B8R1.22 O=C1CCOCCN1 X16165 [0,0,0,1,0,0|2,0,0]=3 205 B8R1.22 O=C1CCSCCN1 T6235 [0,0,0,1,0,0|2,0,0]=3 206 B8R1.22 O=C1CNCCCN1 D38834 [0,0,0,1,0,0|2,0,0]=3 207 B8R1.38 COC(=O)C1CNC1 M5857 [0,0,0,1,0,0|1,0,0]=2 208 B8R1.38 COC(=O)C1COC1 M15764 [0,0,0,1,0,0|1,0,0]=2 209 B8R1.38 COC(=O)[C@@H]1CCN1 M11233 [0,0,0,1,0,0|1,0,0]=2 210 B8R1.38 COC(=O)[C@@H]1CCN1 M11611 [0,0,0,1,0,0|1,0,0]=2 211 B8R1.38 COC(=O)[C@H]1CCN1 M11612 [0,0,0,1,0,0|1,0,0]=2 212 B8R1.38 NNC(=O)C1CCC1 C12362 [0,0,0,1,0,0|2,0,0]=3 213 B8R1.40 COC(=O)CC1CC1 M11217 [0,0,0,1,0,0|0,0,0]=1 214 B8R1.40 O=C(CCl)NC1CC1 C41221 [0,0,0,1,0,0|3,0,0]=4 215 B8R1.47 COC1CC(CN)C1 M0852 [0,0,0,1,0,0|2,0,1]=4 216 B8R1.47 CO[C@H]1C[C@H](CN)C1 M60412 [0,0,0,1,0,0|2,0,1]=4 217 B8R1.50 CC1C(=O)CCC1=O M25293 [0,0,0,1,0,0|2,0,1]=4 218 B8R1.52 CC[N+]1(C)CCCC1 E46620 [0,0,0,1,0,0|3,0,0]=4 219 B5R0.1 C#CCC(=O)O B38084 [2,0,0,0,0,0|0,0,2]=4 220 B5R0.1 C=C(C)OCC E5573 [2,0,0,0,0,0|2,0,0]=4 221 B5R0.1 CC#CC(=O)O B67945 [2,0,0,0,0,0|0,0,2]=4 222 B5R0.1 CC(=O)CC#N X40158 [2,0,0,0,0,0|1,0,1]=4 223 B5R0.1 CC(=O)CCCl C69539 [2,0,0,0,0,0|1,0,0]=3 224 B5R0.1 CCCB(O)O P5056 [2,0,0,0,0,0|1,0,1]=4 225 B5R0.1 CCC[C@@H](C)N P16023 [2,0,0,0,0,0|1,0,1]=4 226 B5R0.1 CCC[C@H](C)N P22363 [2,0,0,0,0,0|1,0,1]=4 227 B5R0.1 CCOC(C)=N E68065 [2,0,0,0,0,0|2,0,0]=4 228 B5R0.1 CNCC(=O)O M68590 [2,0,0,0,0,0|1,0,0]=3 229 B5R0.1 CNCC(N)=O M68358 [2,0,0,0,0,0|2,0,0]=4 230 B5R0.1 COCC(=O)O M69331 [2,0,0,0,0,0|1,0,0]=3 231 B5R0.1 NCCC(N)=O A67869 [2,0,0,0,0,0|2,0,0]=4 232 B5R0.1 NCC[P@H](=O)O A39788 [2,0,0,0,0,0|2,0,0]=4 233 B5R0.1 NOCC(=O)O C40302 [2,0,0,0,0,0|2,0,0]=4 234 B5R0.2 C=CCCCBr B41237 [2,0,0,0,0,0|1,0,1]=4 235 B5R0.2 C=CCCCCl C41238 [2,0,0,0,0,0|1,0,1]=4 236 B5R0.2 C=CCCCO P36921 [2,0,0,0,0,0|1,0,1]=4 237 B5R0.2 CCCCON B40310 [2,0,0,0,0,0|1,0,0]=3 238 B5R0.2 CNCCCCl C39954 [2,0,0,0,0,0|2,0,0]=4 239 B5R0.2 CNCCCO M36844 [2,0,0,0,0,0|1,0,1]=4 240 B5R0.2 CNCCOC M23409 [2,0,0,0,0,0|1,0,0]=3 241 B5R0.2 COCCC#N M39153 [2,0,0,0,0,0|1,0,1]=4 242 B5R0.2 COCCCBr B68335 [2,0,0,0,0,0|1,0,0]=3 243 B5R0.2 COCCCO M69411 [2,0,0,0,0,0|1,0,0]=3 244 B5R0.2 OCCCCBr B67330 [2,0,0,0,0,0|1,0,1]=4 245 B5R0.3 C#CC(=O)OC M40108 [2,0,0,0,0,0|0,0,2]=4 246 B5R0.3 CCC(=O)CN A32390 [2,0,0,0,0,0|2,0,0]=4 247 B5R0.3 CCC(=O)CO H36713 [2,0,0,0,0,0|2,0,0]=4 248 B5R0.3 CNC(=O)CBr B60913 [2,0,0,0,0,0|2,0,0]=4 249 B5R0.3 CNC(=O)CCl C67921 [2,0,0,0,0,0|2,0,0]=4 250 B5R0.3 COC(=O)CN M69126 [2,0,0,0,0,0|1,0,0]=3 251 B5R0.3 COC(=O)CO M67586 [2,0,0,0,0,0|1,0,0]=3 252 B7R0.2 CCC(=O)CC(C)=O H69646 [1,1,0,0,0,0|1,0,1]=4 253 B7R0.2 COC(=O)C=C(C)C M41461 [1,1,0,0,0,0|0,0,2]=4 254 B7R0.2 COC(=O)CC(=O)Cl M40174 [1,1,0,0,0,0|1,0,1]=4 255 B7R0.2 COC(=O)CC(=O)O M37882 [1,1,0,0,0,0|1,0,1]=4 256 B7R0.2 COC(=O)CC(=O)[O-] P67199 [1,1,0,0,0,0|1,0,1]=4 257 B7R0.2 COC(=O)C[C@@H](C)N M41333 [1,1,0,0,0,0|0,0,0]=2 258 B7R0.2 COC(=O)C[C@@H](C)O M68364 [1,1,0,0,0,0|0,0,0]=2 259 B7R0.2 COC(=O)C[C@H](C)O M37970 [1,1,0,0,0,0|0,0,0]=2 260 B7R0.2 COC(=O)\C=C(\C)N M68908 [1,1,0,0,0,0|0,0,2]=4 261 B7R0.5 CCOC(=O)C(C)=O E60800 [1,1,0,0,0,0|2,0,0]=4 262 B7R0.5 CCOC(=O)[C@@H](C)N A39194 [1,1,0,0,0,0|2,0,0]=4 263 B7R0.5 CCOC(=O)[C@@H](C)O E68607 [1,1,0,0,0,0|2,0,0]=4 264 B7R0.5 CCOC(=O)[C@H](C)F E41270 [1,1,0,0,0,0|2,0,0]=4 265 B7R0.5 CCOC(=O)[C@H](C)S E40385 [1,1,0,0,0,0|2,0,0]=4 266 B7R0.7 CC#CC(=O)OCC E36835 [1,1,0,0,0,0|0,0,2]=4 267 B7R0.7 CCNC(=O)NCC D40424 [1,1,0,0,0,0|2,0,0]=4 268 B7R0.7 CCOC(=O)CCBr E39188 [1,1,0,0,0,0|1,0,0]=3 269 B7R0.7 CCOC(=O)CCI E41273 [1,1,0,0,0,0|1,0,0]=3 270 B7R0.7 CCOC(=O)CCO E36682 [1,1,0,0,0,0|1,0,0]=3 271 B7R0.7 CCOC(=O)CNC S69399 [1,1,0,0,0,0|1,0,0]=3 272 B7R0.7 CCOC(=O)CNN E67459 [1,1,0,0,0,0|2,0,0]=4 273 B7R0.7 CCOC(=O)CSC E40386 [1,1,0,0,0,0|1,0,0]=3 274 B7R0.7 CCOC(=O)OCCl C38646 [1,1,0,0,0,0|1,0,0]=3 275 B7R0.7 COCC(=O)COC D40391 [1,1,0,0,0,0|1,0,0]=3 276 B7R0.7 O=C(CCCl)CCCl D67616 [1,1,0,0,0,0|2,0,0]=4 277 B7R0.10 C=C(CBr)C(=O)OC M36843 [1,1,0,0,0,0|1,0,1]=4 278 B7R0.10 C=C(CO)C(=O)OC M7022 [1,1,0,0,0,0|1,0,1]=4 279 B7R0.10 CCC(=O)C(=O)CC H41459 [1,1,0,0,0,0|1,0,1]=4 280 B7R0.10 CC[C@@H](N)C(=O)OC M61982 [1,1,0,0,0,0|0,0,0]=2 281 B7R0.10 CC[C@H](Br)C(=O)OC M68973 [1,1,0,0,0,0|0,0,0]=2 282 B7R0.10 CC[C@H](N)C(=O)OC M40408 [1,1,0,0,0,0|0,0,0]=2 283 B7R0.10 CC[C@H](N)C(=O)OC M41330 [1,1,0,0,0,0|0,0,0]=2 284 B7R0.10 CC[C@H](N)C(=O)OC M41334 [1,1,0,0,0,0|0,0,0]=2 285 B7R0.10 CN[C@@H](C)C(=O)OC M62351 [1,1,0,0,0,0|1,0,0]=3 286 B7R0.10 COC(=O)C(=O)CBr M2726 [1,1,0,0,0,0|1,0,1]=4 287 B7R0.10 COC(=O)[C@@H](Br)CO M40234 [1,1,0,0,0,0|1,0,0]=3 288 B7R0.10 COC(=O)[C@@H](C)CBr M41268 [1,1,0,0,0,0|1,0,0]=3 289 B7R0.10 COC(=O)[C@@H](C)CO M25480 [1,1,0,0,0,0|1,0,0]=3 290 B7R0.10 COC(=O)[C@@H](Cl)CCl M69066 [1,1,0,0,0,0|1,0,0]=3 291 B7R0.10 COC(=O)[C@@H](F)CO M60918 [1,1,0,0,0,0|1,0,0]=3 292 B7R0.10 COC(=O)[C@@H](N)CO M68693 [1,1,0,0,0,0|1,0,0]=3 293 B7R0.10 COC(=O)[C@@H](N)CO S64541 [1,1,0,0,0,0|1,0,0]=3 294 B7R0.10 COC(=O)[C@@H](O)CN M61501 [1,1,0,0,0,0|1,0,0]=3 295 B7R0.10 COC(=O)[C@@H](O)CO M40259 [1,1,0,0,0,0|1,0,0]=3 296 B7R0.10 COC(=O)[C@H](C)CO M40393 [1,1,0,0,0,0|1,0,0]=3 297 B7R0.10 COC(=O)[C@H](N)CCl M69012 [1,1,0,0,0,0|1,0,0]=3 298 B7R0.10 COC(=O)[C@H](N)CS M69349 [1,1,0,0,0,0|1,0,0]=3 299 B7R0.10 COC(=O)[C@H](O)CO M40258 [1,1,0,0,0,0|1,0,0]=3 300 B7R0.4 C#CCCCC(=O)O H43301 [1,1,0,0,0,0|0,0,1]=3 301 B7R0.4 CC(=O)CCCCBr B41532 [1,1,0,0,0,0|0,0,0]=2 302 B7R0.4 CC(=O)OCCCBr B41266 [1,1,0,0,0,0|1,0,0]=3 303 B7R0.4 CC(=O)OCCCCl C39190 [1,1,0,0,0,0|1,0,0]=3 304 B7R0.4 CC(C)CCCCBr B43898 [1,1,0,0,0,0|1,0,1]=4 305 B7R0.4 CCCCCB(O)O P38628 [1,1,0,0,0,0|1,0,1]=4 306 B7R0.4 CCCCC[C@H](C)O H43947 [1,1,0,0,0,0|0,0,2]=4 307 B7R0.4 CCCCOC(N)=O B39165 [1,1,0,0,0,0|1,0,0]=3 308 B7R0.4 CCCOCC(=O)O P40387 [1,1,0,0,0,0|0,0,0]=2 309 B7R0.4 CCC\C=C\C(=O)O H41460 [1,1,0,0,0,0|0,0,1]=3 310 B7R0.4 CCOC=CC(=O)O E41226 [1,1,0,0,0,0|0,0,2]=4 311 B7R0.4 CN(C)CCCCO D41621 [1,1,0,0,0,0|2,0,0]=4 312 B7R0.4 CNCCCC(=O)O M63276 [1,1,0,0,0,0|0,0,0]=2 313 B7R0.4 COCCCC(=O)O M67387 [1,1,0,0,0,0|0,0,0]=2 314 B7R0.4 COCCNC(N)=O M36648 [1,1,0,0,0,0|2,0,0]=4 315 B7R0.4 COC\C=C\C(=O)O M63576 [1,1,0,0,0,0|0,0,2]=4 316 B7R0.4 N#CCCCC(=O)O C41166 [1,1,0,0,0,0|0,0,1]=3 317 B7R0.4 NC(=O)COCCCl C40247 [1,1,0,0,0,0|2,0,0]=4 318 B7R0.4 O=C(O)CCCCBr B39187 [1,1,0,0,0,0|0,0,0]=2 319 B7R0.4 O=C(O)CCCCCl C39191 [1,1,0,0,0,0|0,0,0]=2 320 B7R0.4 O=C(O)CCCCO H37199 [1,1,0,0,0,0|0,0,0]=2 321 B7R0.4 O=C(O)CNCCO H40270 [1,1,0,0,0,0|1,0,0]=3 322 B7R0.4 O=C(O)COCCCl C40236 [1,1,0,0,0,0|1,0,0]=3 323 B7R0.4 O=C([O-])CCCCO S41306 [1,1,0,0,0,0|0,0,1]=3 324 B7R0.4 [N-]=[N+]=NCCC(=O)O A1939 [1,1,0,0,0,0|2,0,0]=4 325 B7R0.6 CC(=O)CCC(C)=O H64912 [1,1,0,0,0,0|0,0,1]=3 326 B7R0.6 CC(=O)CNC(C)=O X41261 [1,1,0,0,0,0|1,0,1]=4 327 B7R0.6 CC(=O)NNC(C)C P40426 [1,1,0,0,0,0|2,0,0]=4 328 B7R0.6 CN(C)CCC(=O)O D41335 [1,1,0,0,0,0|1,0,0]=3 329 B7R0.6 C[C@H](O)CC[C@H](C)O H68605 [1,1,0,0,0,0|0,0,2]=4 330 B7R0.6 NC(=O)CCC(=O)O A63078 [1,1,0,0,0,0|1,0,1]=4 331 B7R0.6 O=C(O)CCC(F)F D59737 [1,1,0,0,0,0|1,0,0]=3 332 B7R0.8 CS(=O)(=O)CCCO M6981 [1,1,0,0,0,0|2,0,0]=4 333 B7R0.1 CCCCCCCBr B43897 [1,1,0,0,0,0|1,0,1]=4 334 B7R0.1 CCCCCCC[Mg+] H31707 [1,1,0,0,0,0|1,0,1]=4 335 B7R0.1 CNCCCCNC D41624 [1,1,0,0,0,0|1,0,1]=4 336 B7R0.1 COCCOCCI K40420 [1,1,0,0,0,0|1,0,1]=4 337 B7R0.1 COCCOCCN M38824 [1,1,0,0,0,0|1,0,1]=4 338 B9R0.5 CCC=CCC(=O)OCC E47083 [0,2,0,0,0,0|0,0,1]=3 339 B9R0.5 CCCC=CC(=O)OCC E47082 [0,2,0,0,0,0|0,0,1]=3 340 B9R0.5 CCOC(=O)CCCCBr E39295 [0,2,0,0,0,0|0,0,0]=2 341 B9R0.5 CCOC(=O)CCCCN E46517 [0,2,0,0,0,0|0,0,0]=2 342 B9R0.5 CCOC(=O)CCC[Zn]I E31894 [0,2,0,0,0,0|1,0,0]=3 343 B9R0.5 CCOC(=O)CCN=[N+]=[N-] E5007 [0,2,0,0,0,0|2,0,0]=4 344 B9R0.5 CCOC(=O)COCCCl E41531 [0,2,0,0,0,0|1,0,0]=3 345 B9R0.5 CCOC=CC(=O)OCC E43814 [0,2,0,0,0,0|0,0,2]=4 346 B9R0.5 CCO\C=C\C(=O)OCC E43813 [0,2,0,0,0,0|0,0,2]=4 347 B9R0.8 CCCC[C@H](N)C(=O)OC M46518 [0,2,0,0,0,0|0,0,0]=2 348 B9R0.8 COC(=O)[C@@H](Br)CCCBr M41466 [0,2,0,0,0,0|0,0,0]=2 349 B9R0.8 CON(C)C(=O)CCCCl C41545 [0,2,0,0,0,0|1,0,0]=3 350 B9R0.18 C=CCOC(=O)NCCN A43472 [0,2,0,0,0,0|2,0,0]=4 351 B9R0.34 CCCC(=O)CC(=O)OC M39290 [0,2,0,0,0,0|0,0,0]=2 352 B9R0.34 CCOC(=O)CC(=O)CC E43812 [0,2,0,0,0,0|0,0,1]=3 353 B9R0.34 CCOC(=O)CC(=O)CCl E64939 [0,2,0,0,0,0|1,0,1]=4 354 B9R0.34 CCOC(=O)C[C@@H](O)CCl E68321 [0,2,0,0,0,0|1,0,0]=3 355 B9R0.34 CCOC(=O)C[C@H](O)CO E66047 [0,2,0,0,0,0|1,0,0]=3 356 B9R0.35 CCCC(=O)C(=O)OCC E43810 [0,2,0,0,0,0|0,0,1]=3 357 B9R0.35 CCC[C@H](C)C(=O)OCC E39445 [0,2,0,0,0,0|0,0,0]=2 358 B9R0.35 CCC[C@H](N)C(=O)OCC N65311 [0,2,0,0,0,0|0,0,0]=2 359 B9R0.35 CCOC(=N)C(=O)OCC E32050 [0,2,0,0,0,0|1,0,1]=4 360 B9R0.48 C=C(C)CCC(=O)OCC E69099 [0,2,0,0,0,0|0,0,1]=3 361 B9R0.48 CCOC(=O)CCC(C)=O E36601 [0,2,0,0,0,0|0,0,1]=3 362 B9R0.48 CCOC(=O)CNC(C)=O E68877 [0,2,0,0,0,0|1,0,1]=4 363 B9R0.23 CCC(=O)[C@@H](C)CN(C)C D47174 [0,2,0,0,0,0|2,0,0]=4 364 B9R0.23 COC(=O)[C@@H](C)NC(C)=O M41515 [0,2,0,0,0,0|1,0,1]=4 365 B9R0.23 COC(=O)[C@@H](N)CC(=O)O A36981 [0,2,0,0,0,0|1,0,1]=4 366 B9R0.23 COC(=O)[C@@H](N)CC(C)C M68966 [0,2,0,0,0,0|0,0,0]=2 367 B9R0.23 COC(=O)[C@@H](O)CC(C)C M61122 [0,2,0,0,0,0|0,0,0]=2 368 B9R0.23 COC(=O)[C@H](N)CC(C)C M68964 [0,2,0,0,0,0|0,0,0]=2 369 B9R0.27 CCC(=O)[C@H](F)C(=O)OC M43406 [0,2,0,0,0,0|0,0,1]=3 370 B9R0.27 COC(=O)C(Cl)C(=O)OC D41185 [0,2,0,0,0,0|1,0,1]=4 371 B9R0.27 COC(=O)C(F)C(=O)OC D1449 [0,2,0,0,0,0|1,0,1]=4 372 B9R0.27 COC(=O)C(N)C(=O)OC D41379 [0,2,0,0,0,0|1,0,1]=4 373 B9R0.1 C=C(C)CCCC(=O)OC M47085 [0,2,0,0,0,0|0,0,0]=2 374 B9R0.1 COC(=O)CCCC(=O)Cl M43405 [0,2,0,0,0,0|0,0,1]=3 375 B9R0.1 COC(=O)CCCC(=O)O M37961 [0,2,0,0,0,0|0,0,1]=3 376 B9R0.1 COC(=O)CCCC(C)=O M62839 [0,2,0,0,0,0|0,0,0]=2 377 B9R0.1 COC(=O)\C=C\CN(C)C M43850 [0,2,0,0,0,0|0,0,2]=4 378 B9R0.24 COC(=O)CCC(=O)CN M68150 [0,2,0,0,0,0|0,0,1]=3 379 B9R0.46 C=CC(=O)NCCCCO H43842 [0,2,0,0,0,0|1,0,1]=4 380 B9R0.46 COC(=O)CCCCCBr M39296 [0,2,0,0,0,0|0,0,0]=2 381 B9R0.46 COC(=O)CCCCCN M67967 [0,2,0,0,0,0|0,0,0]=2 382 B9R0.47 C=C(C)C(=O)NCCCN A46499 [0,2,0,0,0,0|2,0,0]=4 383 B9R0.47 CCCCOC(=O)[C@H](C)N B43923 [0,2,0,0,0,0|1,0,0]=3 384 B9R0.13 CCCC[C@H](CC)C(=O)[O-] P46623 [0,2,0,0,0,0|1,0,1]=4 385 B9R0.42 CCC(=O)O[C@@H](Cl)C(C)C C38219 [0,2,0,0,0,0|2,0,0]=4 386 B9R0.42 COC(=O)C[C@@H](C)C(=O)O M41477 [0,2,0,0,0,0|1,0,1]=4 387 B9R0.42 COC(=O)C[C@@H](N)C(=O)O A61919 [0,2,0,0,0,0|1,0,1]=4 388 B9R0.42 COC(=O)C[C@H](N)C(=O)O M60837 [0,2,0,0,0,0|1,0,1]=4 389 B9R0.21 COC(=O)CCC(Cl)(Cl)Cl M41178 [0,2,0,0,0,0|1,0,0]=3 390 B9R0.21 COC(=O)CCS(=O)(=O)Cl M40237 [0,2,0,0,0,0|2,0,0]=4 391 B9R0.26 COC(=O)CC(OC)OC M41564 [0,2,0,0,0,0|1,0,0]=3 392 B7R1.1 COC1=NCCC1 M69559 [1,0,0,1,0,0|1,0,0]=3 393 B7R1.2 CN1CCC(=O)C1 M5444 [1,0,0,1,0,0|2,0,0]=4 394 B7R1.2 C[C@@H]1CNC(=O)C1 P22910 [1,0,0,1,0,0|1,0,0]=3 395 B7R1.2 C[C@@H]1COC(=O)N1 M32194 [1,0,0,1,0,0|1,0,0]=3 396 B7R1.2 C[C@H]1CCC(=O)N1 M61805 [1,0,0,1,0,0|2,0,0]=4 397 B7R1.2 C[C@H]1COC(=O)N1 M40226 [1,0,0,1,0,0|1,0,0]=3 398 B7R1.2 N[C@@H]1CNC(=O)C1 A11620 [1,0,0,1,0,0|2,0,0]=4 399 B7R1.2 N[C@@H]1CNC(=O)C1 A20556 [1,0,0,1,0,0|2,0,0]=4 400 B7R1.2 N[C@@H]1CNC(=O)C1 A24834 [1,0,0,1,0,0|2,0,0]=4 401 B7R1.2 N[C@@H]1CNC(=O)C1 P21713 [1,0,0,1,0,0|2,0,0]=4 402 B7R1.2 N[C@@H]1COC(=O)C1 A40337 [1,0,0,1,0,0|1,0,0]=3 403 B7R1.2 N[C@H]1CNC(=O)C1 A27147 [1,0,0,1,0,0|2,0,0]=4 404 B7R1.2 N[C@H]1COC(=O)C1 A37707 [1,0,0,1,0,0|1,0,0]=3 405 B7R1.2 O=C1CC[C@H](O)C1 H22750 [1,0,0,1,0,0|2,0,0]=4 406 B7R1.2 O=C1C[C@@H](O)CN1 H22487 [1,0,0,1,0,0|2,0,0]=4 407 B7R1.2 O=C1C[C@@H](S)CN1 M12154 [1,0,0,1,0,0|2,0,0]=4 408 B7R1.2 O=C1C[C@H](O)CN1 H15629 [1,0,0,1,0,0|2,0,0]=4 409 B7R1.2 O=C1C[C@H](O)CN1 H38056 [1,0,0,1,0,0|2,0,0]=4 410 B7R1.2 O=C1OC[C@H](F)O1 F39135 [1,0,0,1,0,0|2,0,0]=4 411 B7R1.3 O=C1CCCCN1 P69632 [1,0,0,1,0,0|1,0,0]=3 412 B7R1.3 O=C1CCCNC1 P1523 [1,0,0,1,0,0|2,0,0]=4 413 B7R1.3 O=C1CCCNC1 P31811 [1,0,0,1,0,0|2,0,0]=4 414 B7R1.3 O=C1CCCOC1 T7026 [1,0,0,1,0,0|2,0,0]=4 415 B7R1.3 O=C1CCCSC1 T1776 [1,0,0,1,0,0|2,0,0]=4 416 B7R1.3 O=C1CCNCC1 P23503 [1,0,0,1,0,0|2,0,0]=4 417 B7R1.3 O=C1CCOCC1 T4632 [1,0,0,1,0,0|2,0,0]=4 418 B7R1.3 O=C1CCSCC1 T6200 [1,0,0,1,0,0|2,0,0]=4 419 B7R1.3 O=C1CNCCN1 P10419 [1,0,0,1,0,0|2,0,0]=4 420 B7R1.3 O=C1COCCN1 M7700 [1,0,0,1,0,0|2,0,0]=4 421 B7R1.3 O=C1COCCO1 D38663 [1,0,0,1,0,0|1,0,0]=3 422 B7R1.3 O=C1CSCCN1 T40230 [1,0,0,1,0,0|2,0,0]=4 423 B7R1.4 CN1CCCC1=S M6872 [1,0,0,1,0,0|1,1,0]=4 424 B7R1.4 CN1CCNC1=O M40241 [1,0,0,1,0,0|2,0,0]=4 425 B7R1.4 C[C@@H]1OCCC1=O M41223 [1,0,0,1,0,0|2,0,0]=4 426 B7R1.4 C[C@H]1CCCC1=O M41458 [1,0,0,1,0,0|1,0,0]=3 427 B7R1.4 C[C@H]1CCNC1=O M41257 [1,0,0,1,0,0|2,0,0]=4 428 B7R1.4 C[C@H]1CCOC1=O M41224 [1,0,0,1,0,0|2,0,0]=4 429 B7R1.4 NN1CCCC1=O A22230 [1,0,0,1,0,0|2,0,0]=4 430 B7R1.8 O=C1CC[C@@H]1CO H13228 [1,0,0,1,0,0|2,0,0]=4 431 B7R1.22 CCC(=O)C1CC1 C24823 [1,0,0,1,0,0|1,0,0]=3 432 B7R1.22 NNC(=O)C1CC1 C7568 [1,0,0,1,0,0|2,0,0]=4 433 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O M59914 [1,0,0,1,0,0|0,0,0]=2 434 B7R1.12 C[C@@H]1C[C@H]1C(=O)O M24588 [1,0,0,1,0,0|0,0,0]=2 435 B7R1.12 C[C@H]1C[C@H]1C(=O)O M24546 [1,0,0,1,0,0|0,0,0]=2 436 B7R1.12 C[C@H]1C[C@H]1C(=O)O M59857 [1,0,0,1,0,0|0,0,0]=2 437 B7R1.12 O=C(O)C1CC1F F20460 [1,0,0,1,0,0|1,0,0]=3 438 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F F8695 [1,0,0,1,0,0|1,0,0]=3 439 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I K67056 [1,0,0,1,0,0|1,0,0]=3 440 B7R1.12 O=C(O)[C@@H]1C[C@H]1F F18516 [1,0,0,1,0,0|1,0,0]=3 441 B7R1.12 O=C(O)[C@@H]1C[C@H]1F F21701 [1,0,0,1,0,0|1,0,0]=3 442 B7R1.12 O=C(O)[C@H]1C[C@@H]1F F21702 [1,0,0,1,0,0|1,0,0]=3 443 B7R1.14 CC1(O)CCCC1 M41551 [1,0,0,1,0,0|0,0,2]=4 444 B7R1.18 CC(=O)C1CCC1 C22926 [1,0,0,1,0,0|0,0,0]=2 445 B7R1.18 CC(=O)C1CNC1 A18542 [1,0,0,1,0,0|1,0,0]=3 446 B7R1.18 C[C@H](N)C1CCC1 C29990 [1,0,0,1,0,0|1,0,1]=4 447 B7R1.18 N=C(N)C1CCC1 C11379 [1,0,0,1,0,0|2,0,0]=4 448 B7R1.18 NC(=O)C1CCC1 C36760 [1,0,0,1,0,0|1,0,0]=3 449 B7R1.18 NC(=O)C1CNC1 A0189 [1,0,0,1,0,0|2,0,0]=4 450 B7R1.18 NC(=O)C1CNC1 A10232 [1,0,0,1,0,0|2,0,0]=4 451 B7R1.18 O=C(O)C1CCC1 C39184 [1,0,0,1,0,0|0,0,0]=2 452 B7R1.18 O=C(O)C1CNC1 A0022 [1,0,0,1,0,0|1,0,0]=3 453 B7R1.18 O=C(O)C1CNC1 A62344 [1,0,0,1,0,0|1,0,0]=3 454 B7R1.18 O=C(O)[C@@H]1CCN1 A0692 [1,0,0,1,0,0|1,0,0]=3 455 B7R1.18 O=C(O)[C@@H]1CCN1 A0705 [1,0,0,1,0,0|1,0,0]=3 456 B7R1.18 O=C(O)[C@@H]1CCO1 X60210 [1,0,0,1,0,0|1,0,0]=3 457 B7R1.18 O=C(O)[C@@H]1CCO1 X6939 [1,0,0,1,0,0|1,0,0]=3 458 B7R1.18 O=C(O)[C@H]1CCN1 A0706 [1,0,0,1,0,0|1,0,0]=3 459 B7R1.18 O=C(O)[C@H]1CCN1 A40336 [1,0,0,1,0,0|1,0,0]=3 460 B7R1.18 O=C(O)[C@H]1CCO1 X60294 [1,0,0,1,0,0|1,0,0]=3 461 B7R1.18 OB(O)C1CCC1 C38656 [1,0,0,1,0,0|1,0,1]=4 462 B7R1.20 O=C(O)CC1CC1 C11216 [1,0,0,1,0,0|0,0,0]=2 463 B7R1.24 C1=CCCNCC1 T67173 [1,0,0,1,0,0|2,0,0]=4 464 B7R1.24 C1CCCNCC1 H64495 [1,0,0,1,0,0|1,0,1]=4 465 B7R1.24 C1CNCCOC1 X1345 [1,0,0,1,0,0|1,0,1]=4 466 B9R1.2 CCN1CCNC(=O)C1 E43465 [0,1,0,1,0,0|2,0,0]=4 467 B9R1.2 CO[C@@H]1CCC[C@H](O)C1 M59938 [0,1,0,1,0,0|1,0,1]=4 468 B9R1.2 CO[C@@H]1CCN[C@H](C)C1 M60297 [0,1,0,1,0,0|1,0,1]=4 469 B9R1.2 NC[C@H]1CCNC(=O)C1 A7242 [0,1,0,1,0,0|2,0,0]=4 470 B9R1.2 O=C1COC[C@H](CO)N1 H37541 [0,1,0,1,0,0|2,0,0]=4 471 B9R1.2 O=C1C[C@@H](CO)CCN1 X0577 [0,1,0,1,0,0|2,0,0]=4 472 B9R1.7 CCC[C@H]1COC(=O)C1 P43806 [0,1,0,1,0,0|0,0,0]=2 473 B9R1.7 O=S1OCC(CCCl)O1 C65668 [0,1,0,1,0,0|2,0,0]=4 474 B9R1.8 COC[C@H]1CCCCN1 M46509 [0,1,0,1,0,0|1,0,1]=4 475 B9R1.8 COC[C@H]1CCCCN1 M46512 [0,1,0,1,0,0|1,0,1]=4 476 B9R1.15 CO[C@H]1COCCC1=O M10506 [0,1,0,1,0,0|1,0,0]=3 477 B9R1.15 O=CC1=C(Cl)CCCC1 C46451 [0,1,0,1,0,0|2,0,0]=4 478 B9R1.33 NCCN1CCOC1=O A61391 [0,1,0,1,0,0|2,0,0]=4 479 B9R1.48 C[C@H]1CC(=O)NCCN1 H7872 [0,1,0,1,0,0|2,0,0]=4 480 B9R1.48 O=C1CCCCC(=O)C1 C37584 [0,1,0,1,0,0|1,0,1]=4 481 B9R1.48 O=C1CCCNC(=O)C1 A43379 [0,1,0,1,0,0|1,0,1]=4 482 B9R1.49 CN1CCNC(=O)CC1 M10175 [0,1,0,1,0,0|2,0,0]=4 483 B9R1.49 N[C@H]1CCCC(=O)NC1 A43464 [0,1,0,1,0,0|1,0,0]=3 484 B9R1.49 O=C1CCC[C@H](O)CN1 H41499 [0,1,0,1,0,0|1,0,0]=3 485 B9R1.50 O=C1CCCCCCC1 C67881 [0,1,0,1,0,0|1,0,0]=3 486 B9R1.50 O=C1CCCCCCN1 A69570 [0,1,0,1,0,0|1,0,0]=3 487 B9R1.69 CN1CC[C@H](N)CC1=O A0206 [0,1,0,1,0,0|1,0,0]=3 488 B9R1.69 CN1CC[C@H](N)CC1=O M7462 [0,1,0,1,0,0|1,0,0]=3 489 B9R1.69 CN1C[C@@H](N)CCC1=O A0588 [0,1,0,1,0,0|1,0,0]=3 490 B9R1.69 CN1C[C@@H](N)CCC1=O A12740 [0,1,0,1,0,0|1,0,0]=3 491 B9R1.69 C[C@@H]1CN(C)C(=O)CN1 D13688 [0,1,0,1,0,0|2,0,0]=4 492 B9R1.69 C[C@@H]1CN(C)C(=O)CN1 D43469 [0,1,0,1,0,0|2,0,0]=4 493 B9R1.69 C[C@H]1CCC(=O)NC1=O M43382 [0,1,0,1,0,0|1,0,1]=4 494 B9R1.69 C[C@H]1CN(C)C(=O)CN1 D13682 [0,1,0,1,0,0|2,0,0]=4 495 B9R1.69 C[C@H]1CN(C)C(=O)CN1 D30098 [0,1,0,1,0,0|2,0,0]=4 496 B9R1.69 C[C@H]1CN(C)CCC1=O D23777 [0,1,0,1,0,0|2,0,0]=4 497 B9R1.73 CCOC(=N)C1CCC1 E64744 [0,1,0,1,0,0|1,0,0]=3 498 B9R1.73 CCOC(=O)C1CNC1 E0677 [0,1,0,1,0,0|1,0,0]=3 499 B9R1.73 N#CCC(=O)C1CCC1 C0311 [0,1,0,1,0,0|1,0,1]=4 500 B9R1.75 CCOC(=O)CC1CC1 E29877 [0,1,0,1,0,0|0,0,0]=2 501 B9R1.3 CC1C(=O)CCCC1=O M69234 [0,1,0,1,0,0|1,0,1]=4 502 B9R1.3 CN1C(=O)CCCC1=O M37753 [0,1,0,1,0,0|1,0,1]=4 503 B9R1.3 CN1CCC[C@H](N)C1=O A11570 [0,1,0,1,0,0|1,0,0]=3 504 B9R1.3 CN1CCC[C@H](N)C1=O A14658 [0,1,0,1,0,0|1,0,0]=3 505 B9R1.3 CN1CCC[C@H](N)C1=O A43470 [0,1,0,1,0,0|1,0,0]=3 506 B9R1.5 CN1CCCCCC1=O M39292 [0,1,0,1,0,0|1,0,0]=3 507 B9R1.5 CN1CCCNCC1=O M1178 [0,1,0,1,0,0|1,0,0]=3 508 B9R1.5 CN1CCNCCC1=O M41536 [0,1,0,1,0,0|1,0,0]=3 509 B9R1.5 CN1CCNCCC1=O M43468 [0,1,0,1,0,0|1,0,0]=3 510 B9R1.5 N[C@@H]1CCCCNC1=O A43466 [0,1,0,1,0,0|1,0,0]=3 511 B9R1.5 N[C@H]1CCCCNC1=O A24830 [0,1,0,1,0,0|1,0,0]=3 512 B9R1.5 N[C@H]1CCCCNC1=O A43463 [0,1,0,1,0,0|1,0,0]=3 513 B9R1.11 CNC(=O)[C@@H]1CCCN1 M43471 [0,1,0,1,0,0|1,0,0]=3 514 B9R1.11 COC(=O)C1=CCCC1 M43720 [0,1,0,1,0,0|0,0,1]=3 515 B9R1.11 COC(=O)C1CC=CC1 M13554 [0,1,0,1,0,0|0,0,1]=3 516 B9R1.11 COC(=O)C1CCCC1 M43805 [0,1,0,1,0,0|0,0,0]=2 517 B9R1.11 COC(=O)[C@@H]1CCCN1 M38491 [0,1,0,1,0,0|0,0,0]=2 518 B9R1.11 COC(=O)[C@@H]1CCNC1 M20211 [0,1,0,1,0,0|0,0,0]=2 519 B9R1.11 COC(=O)[C@@H]1CCNC1 M25987 [0,1,0,1,0,0|0,0,0]=2 520 B9R1.11 COC(=O)[C@@H]1CCOC1 M10323 [0,1,0,1,0,0|0,0,0]=2 521 B9R1.11 COC(=O)[C@H]1CCNC1 E6960 [0,1,0,1,0,0|0,0,0]=2 522 B9R1.11 COC(=O)[C@H]1CCNC1 M10274 [0,1,0,1,0,0|0,0,0]=2 523 B9R1.11 COC(=O)[C@H]1CCNC1 M20204 [0,1,0,1,0,0|0,0,0]=2 524 B9R1.11 COC(=O)[C@H]1CCNC1 P12312 [0,1,0,1,0,0|0,0,0]=2 525 B9R1.11 COC(=O)[C@H]1CCOC1 M12450 [0,1,0,1,0,0|0,0,0]=2 526 B9R1.11 COC(=O)[C@H]1CCOC1 M7564 [0,1,0,1,0,0|0,0,0]=2 527 B9R1.11 NNC(=O)[C@H]1CCOC1 T15050 [0,1,0,1,0,0|2,0,0]=4 528 B9R1.37 CC1CC(=O)C(=O)C1C D43719 [0,1,0,1,0,0|1,0,1]=4 529 B9R1.82 C=C1CC(C(=O)OC)C1 M12361 [0,1,0,1,0,0|0,0,1]=3 530 B9R1.82 COC(=O)C1CC(=O)C1 M0192 [0,1,0,1,0,0|0,0,1]=3 531 B9R1.82 COC(=O)C1CC(Br)C1 M10924 [0,1,0,1,0,0|0,0,0]=2 532 B9R1.82 COC(=O)C1CC(Cl)C1 M11851 [0,1,0,1,0,0|0,0,0]=2 533 B9R1.82 COC(=O)C1CC(N)C1 M13744 [0,1,0,1,0,0|0,0,0]=2 534 B9R1.82 COC(=O)C1CC(O)C1 M0318 [0,1,0,1,0,0|0,0,0]=2 535 B9R1.82 COC(=O)[C@H]1C[C@@H](N)C1 SB7472 [0,1,0,1,0,0|0,0,0]=2 536 B9R1.82 COC(=O)[C@H]1C[C@@H](O)C1 M11400 [0,1,0,1,0,0|0,0,0]=2 537 B9R1.82 COC(=O)[C@H]1C[C@H](Br)C1 M10932 [0,1,0,1,0,0|0,0,0]=2 538 B9R1.82 COC(=O)[C@H]1C[C@H](N)C1 M1703 [0,1,0,1,0,0|0,0,0]=2 539 B9R1.82 COC(=O)[C@H]1C[C@H](O)C1 SB7980 [0,1,0,1,0,0|0,0,0]=2 540 B9R1.88 COC(=O)C1CC1CN M27272 [0,1,0,1,0,0|0,0,0]=2 541 B9R1.88 COC(=O)[C@H]1C[C@@H]1CO M59717 [0,1,0,1,0,0|0,0,0]=2 542 B9R1.101 COC(=O)C(Cl)=C1CC1 M69618 [0,1,0,1,0,0|0,0,2]=4 543 B9R1.101 COC(=O)[C@@H](N)C1CC1 M43446 [0,1,0,1,0,0|0,0,0]=2 544 B9R1.101 COC(=O)[C@@H](N)C1CC1 M43448 [0,1,0,1,0,0|0,0,0]=2 545 B9R1.186 COC(=O)C1(Br)CCC1 M43401 [0,1,0,1,0,0|0,0,0]=2 546 B9R1.186 COC(=O)C1(C)CNC1 M11573 [0,1,0,1,0,0|1,0,0]=3 547 B9R1.186 COC(=O)C1(C)COC1 M41474 [0,1,0,1,0,0|1,0,0]=3 548 B9R1.186 COC(=O)C1(F)CNC1 M11572 [0,1,0,1,0,0|1,0,0]=3 549 B9R1.186 COC(=O)C1(N)CCC1 M39051 [0,1,0,1,0,0|0,0,0]=2 550 B9R1.186 COC(=O)C1(N)COC1 M7161 [0,1,0,1,0,0|1,0,0]=3 551 B9R1.186 COC(=O)[C@]1(C)CCN1 M22961 [0,1,0,1,0,0|1,0,0]=3 552 B9R1.1 CCC1CCC(=O)CC1 E39441 [0,1,0,1,0,0|1,0,0]=3 553 B9R1.1 COC1CCC(N)CC1 M43906 [0,1,0,1,0,0|1,0,1]=4 554 B9R1.1 COC1CCC(O)CC1 M43887 [0,1,0,1,0,0|1,0,1]=4 555 B9R1.1 CO[C@H]1CC[C@H](N)CC1 M43914 [0,1,0,1,0,0|1,0,1]=4 556 B9R1.1 CO[C@H]1CC[C@H](O)CC1 M43889 [0,1,0,1,0,0|1,0,1]=4 557 B9R1.1 N#CC1CCC(=O)CC1 X46386 [0,1,0,1,0,0|1,0,1]=4 558 B9R1.1 NC[C@H]1CCC(=O)NC1 A10714 [0,1,0,1,0,0|1,0,0]=3 559 B9R1.1 O=C1CC[C@H](CO)CN1 H38263 [0,1,0,1,0,0|1,0,0]=3 560 B9R1.1 O=C1CO[C@@H](CO)CN1 H26506 [0,1,0,1,0,0|2,0,0]=4 561 B9R1.1 O=C1CO[C@@H](CO)CN1 H41263 [0,1,0,1,0,0|2,0,0]=4 562 B9R1.1 O=C1CO[C@H](CO)CN1 H25634 [0,1,0,1,0,0|2,0,0]=4 563 B9R1.1 O=CC1CCC(=O)CC1 X43715 [0,1,0,1,0,0|1,0,1]=4 564 B9R1.21 COC1CCC(OC)O1 D41557 [0,1,0,1,0,0|0,0,2]=4 565 B9R1.79 COC(=O)C=C1COC1 M5786 [0,1,0,1,0,0|0,0,2]=4 566 B9R1.79 COC(=O)CC1CNC1 M0406 [0,1,0,1,0,0|0,0,0]=2 567 B9R1.79 COC(=O)CC1CNC1 M37284 [0,1,0,1,0,0|0,0,0]=2 568 B9R1.79 COC(=O)CC1COC1 M0309 [0,1,0,1,0,0|0,0,0]=2 569 B9R1.81 COC(=O)C1CNC1C M21134 [0,1,0,1,0,0|0,0,0]=2 570 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N M10731 [0,1,0,1,0,0|0,0,0]=2 571 B9R1.89 COC1=NCCCCC1 M43840 [0,1,0,1,0,0|1,0,0]=3 572 B9R1.89 CO[C@H]1CCCNCC1 M16379 [0,1,0,1,0,0|1,0,1]=4 573 B9R1.89 CO[C@H]1CCCNCC1 M1861 [0,1,0,1,0,0|1,0,1]=4 574 B9R1.118 COC1(C)CCNCC1 M46510 [0,1,0,1,0,0|1,0,1]=4 575 B9R1.23 CN1C[C@@H](CN)CC1=O A10326 [0,1,0,1,0,0|2,0,0]=4 576 B9R1.35 CC(C)[C@@H]1COC(=O)N1 P26884 [0,1,0,1,0,0|1,0,0]=3 577 B9R1.35 CC(C)[C@H]1COC(=O)N1 P41504 [0,1,0,1,0,0|1,0,0]=3 578 B9R1.35 O=C1N[C@H](C(F)F)CO1 D59979 [0,1,0,1,0,0|2,0,0]=4 579 B9R1.40 CC1(C)CCCOC1=O D63281 [0,1,0,1,0,0|2,0,0]=4 580 B9R1.40 CC1(C)CNCCC1=O D11692 [0,1,0,1,0,0|2,0,0]=4 581 B9R1.40 CC1(C)COCCC1=O D24609 [0,1,0,1,0,0|2,0,0]=4 582 B9R1.110 CN(C)C(=O)C1CNC1 D1324 [0,1,0,1,0,0|2,0,0]=4 583 B9R1.10 CC1(C)C=CC(=O)CC1 D47014 [0,1,0,1,0,0|1,0,1]=4 584 B9R1.10 CC1(C)CCC(=O)CC1 D23641 [0,1,0,1,0,0|1,0,0]=3 585 B9R1.10 CC1(C)CNC(=O)CN1 D25392 [0,1,0,1,0,0|2,0,0]=4 586 B9R1.10 O=C1CCC(F)(F)CC1 D5709 [0,1,0,1,0,0|2,0,0]=4 587 B9R1.10 O=C1CCC(F)(F)CN1 D15393 [0,1,0,1,0,0|2,0,0]=4 588 B9R1.113 COC(=O)CC1(N)CC1 M37142 [0,1,0,1,0,0|0,0,0]=2 589 B9R2.39 O=C1NC2CCC1C2 A64651 [0,0,0,2,0,0|2,0,0]=4 590 B9R2.39 O=C1OC2CCC1C2 X31814 [0,0,0,2,0,0|2,0,0]=4 591 B9R2.139 O=C1CC2(CC2)CO1 X23130 [0,0,0,2,0,0|0,0,0]=2 592 B9R2.53 O=C1C2CNCC1C2 A20053 [0,0,0,2,0,0|2,0,0]=4 593 B9R2.19 O=C1NCC2CC1N2 X13999 [0,0,0,2,0,0|2,0,0]=4 594 B9R2.21 O=C1CC2CC2CN1 A59683 [0,0,0,2,0,0|1,0,0]=3 595 B9R2.109 O=C1CCCC2CC12 B13672 [0,0,0,2,0,0|1,0,0]=3 596 B9R2.109 O=C1CCCC2OC12 X43306 [0,0,0,2,0,0|2,0,0]=4