0 B7R0.4 C#CCCCC(=O)O H43301 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.4 CC(=O)CCCCBr B41532 [0,0,0,0,0,0|2,0,0]=2 2 B7R0.4 CC(=O)OCCCBr B41266 [0,0,0,0,0,0|1,0,0]=1 3 B7R0.4 CC(=O)OCCCCl C39190 [0,0,0,0,0,0|1,0,0]=1 4 B7R0.4 CC(C)CCCCBr B43898 [0,0,0,0,0,0|3,0,1]=4 5 B7R0.4 CCCCCB(O)O P38628 [0,0,0,0,0,0|3,0,1]=4 6 B7R0.4 CCCCC[C@H](C)O H43947 [0,0,0,0,0,0|1,0,2]=3 7 B7R0.4 CCCCOC(N)=O B39165 [0,0,0,0,0,0|1,0,0]=1 8 B7R0.4 CCCOCC(=O)O P40387 [0,0,0,0,0,0|3,0,0]=3 9 B7R0.4 CCC\C=C\C(=O)O H41460 [0,0,0,0,0,0|2,0,1]=3 10 B7R0.4 CCOC=CC(=O)O E41226 [0,0,0,0,0,0|3,0,1]=4 11 B7R0.4 CN(C)CCCCO D41621 [0,0,0,0,0,0|4,0,0]=4 12 B7R0.4 CNCCCC(=O)O M63276 [0,0,0,0,0,0|3,0,0]=3 13 B7R0.4 COCCCC(=O)O M67387 [0,0,0,0,0,0|3,0,0]=3 14 B7R0.4 COCCNC(=N)N M37240 [0,0,0,0,0,0|4,0,0]=4 15 B7R0.4 COCCNC(N)=O M36648 [0,0,0,0,0,0|3,0,0]=3 16 B7R0.4 COC\C=C\C(=O)O M63576 [0,0,0,0,0,0|3,0,1]=4 17 B7R0.4 N#CCCCC(=O)O C41166 [0,0,0,0,0,0|3,0,1]=4 18 B7R0.4 NC(=O)COCCCl C40247 [0,0,0,0,0,0|4,0,0]=4 19 B7R0.4 O=C(O)CCCCBr B39187 [0,0,0,0,0,0|3,0,0]=3 20 B7R0.4 O=C(O)CCCCCl C39191 [0,0,0,0,0,0|3,0,0]=3 21 B7R0.4 O=C(O)CCCCO H37199 [0,0,0,0,0,0|3,0,0]=3 22 B7R0.4 O=C(O)CNCCO H40270 [0,0,0,0,0,0|4,0,0]=4 23 B7R0.4 O=C(O)COCCCl C40236 [0,0,0,0,0,0|4,0,0]=4 24 B7R0.4 O=C([O-])CCCCO S41306 [0,0,0,0,0,0|3,0,0]=3 25 B6R0.4 C#CCCC(=O)O P68088 [1,0,0,0,0,0|1,0,2]=4 26 B6R0.4 C=CCCC(=O)O P37823 [1,0,0,0,0,0|1,0,2]=4 27 B6R0.4 C=CCCC(N)=O P5022 [1,0,0,0,0,0|1,0,2]=4 28 B6R0.4 CC(=O)CCCCl C68599 [1,0,0,0,0,0|1,0,0]=2 29 B6R0.4 CC(=O)NCCN A68626 [1,0,0,0,0,0|2,0,0]=3 30 B6R0.4 CC(=O)NCCO H68625 [1,0,0,0,0,0|2,0,0]=3 31 B6R0.4 CC(=O)OCCBr B67892 [1,0,0,0,0,0|1,0,0]=2 32 B6R0.4 CC(C)=CCCBr B0351 [1,0,0,0,0,0|2,0,1]=4 33 B6R0.4 CC(C)=CCC[Mg+] M31885 [1,0,0,0,0,0|2,0,1]=4 34 B6R0.4 CC(C)CCCO M67872 [1,0,0,0,0,0|2,0,1]=4 35 B6R0.4 CC(C)OCCBr B69154 [1,0,0,0,0,0|2,0,1]=4 36 B6R0.4 CCCCC(=N)N P41343 [1,0,0,0,0,0|2,0,0]=3 37 B6R0.4 CCCCC(=O)[O-] S38573 [1,0,0,0,0,0|1,0,0]=2 38 B6R0.4 CCCOC(N)=O P40264 [1,0,0,0,0,0|1,0,0]=2 39 B6R0.4 CN(C)CCCBr B40430 [1,0,0,0,0,0|3,0,0]=4 40 B6R0.4 CN(C)CCCCl C69241 [1,0,0,0,0,0|3,0,0]=4 41 B6R0.4 CNCCC(=O)O M40350 [1,0,0,0,0,0|2,0,0]=3 42 B6R0.4 CNCCN(C)C T41392 [1,0,0,0,0,0|3,0,0]=4 43 B6R0.4 COC=CC(C)=O M41222 [1,0,0,0,0,0|1,0,2]=4 44 B6R0.4 COCCC(=O)O M40255 [1,0,0,0,0,0|2,0,0]=3 45 B6R0.4 N#CCCC(=O)O C69146 [1,0,0,0,0,0|2,0,1]=4 46 B6R0.4 NCCCC(N)=O A40304 [1,0,0,0,0,0|2,0,0]=3 47 B6R0.4 O=C(O)CCCBr B39154 [1,0,0,0,0,0|2,0,0]=3 48 B6R0.4 O=C(O)CCCCl C40232 [1,0,0,0,0,0|2,0,0]=3 49 B6R0.6 C=CCCCCBr B9212 [1,0,0,0,0,0|2,0,1]=4 50 B6R0.6 C=CCCCCO H41549 [1,0,0,0,0,0|2,0,1]=4 51 B6R0.6 C=CCCCC[Mg+] H5025 [1,0,0,0,0,0|2,0,1]=4 52 B6R0.6 C=COCCON V65141 [1,0,0,0,0,0|2,0,1]=4 53 B6R0.6 CC=CCCCO H41548 [1,0,0,0,0,0|2,0,0]=3 54 B6R0.6 CCCCCC[Mg+] H31703 [1,0,0,0,0,0|2,0,1]=4 55 B6R0.6 CCCCCNC M41618 [1,0,0,0,0,0|2,0,0]=3 56 B6R0.6 CCCCN=[N+]=[N-] A1814 [1,0,0,0,0,0|3,0,0]=4 57 B6R0.6 CCOCCC#N E41255 [1,0,0,0,0,0|1,0,2]=4 58 B6R0.6 CNCCCCBr B40429 [1,0,0,0,0,0|3,0,0]=4 59 B6R0.6 CNCCCCO M38840 [1,0,0,0,0,0|3,0,0]=4 60 B6R0.6 COCCCCBr B40422 [1,0,0,0,0,0|3,0,0]=4 61 B6R0.6 O=CCCCCCl C41277 [1,0,0,0,0,0|2,0,0]=3 62 B6R0.6 O=CCCCCO H32202 [1,0,0,0,0,0|2,0,0]=3 63 B8R0.5 CCC[C@H](N)CC(=O)O A43488 [0,1,0,0,0,0|2,0,0]=3 64 B8R0.5 CCC\C(C)=C\C(=O)O M62391 [0,1,0,0,0,0|2,0,1]=4 65 B8R0.6 CCCC=CC(=O)OC M43802 [0,1,0,0,0,0|1,0,1]=3 66 B8R0.6 CCCCCC(=O)CBr B43868 [0,1,0,0,0,0|1,0,0]=2 67 B8R0.6 CCCCC[C@@H](O)CC X47206 [0,1,0,0,0,0|1,0,2]=4 68 B8R0.6 CCCCNC(=O)CCl B41547 [0,1,0,0,0,0|1,0,0]=2 69 B8R0.6 CNCCCC(=O)OC M43486 [0,1,0,0,0,0|2,0,0]=3 70 B8R0.6 COC(=O)CCCCBr M41523 [0,1,0,0,0,0|2,0,0]=3 71 B8R0.6 COC(=O)CCCCCl M63406 [0,1,0,0,0,0|2,0,0]=3 72 B8R0.6 COC(=O)CCCCN M43490 [0,1,0,0,0,0|2,0,0]=3 73 B8R0.6 COC(=O)COCCCl M41275 [0,1,0,0,0,0|3,0,0]=4 74 B8R0.6 COCCCC(=O)OC M68350 [0,1,0,0,0,0|2,0,0]=3 75 B8R0.7 C#CCCCCC(=O)O H43713 [0,1,0,0,0,0|2,0,1]=4 76 B8R0.7 C=CCCCCC(=O)O H63383 [0,1,0,0,0,0|2,0,1]=4 77 B8R0.7 CC(C)NCCCCO I38536 [0,1,0,0,0,0|2,0,1]=4 78 B8R0.7 CCCCCC[C@@H](C)O X47207 [0,1,0,0,0,0|1,0,2]=4 79 B8R0.7 CCNCCCN(C)C E11170 [0,1,0,0,0,0|3,0,0]=4 80 B8R0.7 COCCOCC(=O)O M37948 [0,1,0,0,0,0|2,0,0]=3 81 B8R0.7 N=C(N)NCCCCN A37883 [0,1,0,0,0,0|3,0,0]=4 82 B8R0.7 N=C(N)NCCCCN A41393 [0,1,0,0,0,0|3,0,0]=4 83 B8R0.7 NCCNCCC(=O)[O-] S41302 [0,1,0,0,0,0|3,0,0]=4 84 B8R0.7 NCCOCCC(=O)O A40415 [0,1,0,0,0,0|3,0,0]=4 85 B8R0.7 O=C(O)CCCCCBr B67880 [0,1,0,0,0,0|2,0,0]=3 86 B8R0.7 O=C(O)CCCCCCl C41527 [0,1,0,0,0,0|2,0,0]=3 87 B8R0.7 O=C(O)CCOCCBr B41274 [0,1,0,0,0,0|3,0,0]=4 88 B8R0.7 O=C([O-])CCCCCO P41406 [0,1,0,0,0,0|2,0,0]=3 89 B8R0.8 CCCCC(=O)[C@H](C)N A46508 [0,1,0,0,0,0|2,0,1]=4 90 B8R0.8 CCCC[C@H](N)C(=O)O A68582 [0,1,0,0,0,0|2,0,0]=3 91 B8R0.8 CSCCC(O)C(=O)[O-] C54080 [0,1,0,0,0,0|3,0,0]=4 92 B8R0.8 CSCC[C@H](N)C(=O)O M60616 [0,1,0,0,0,0|3,0,0]=4 93 B8R0.21 CCCCCS(=O)(=O)[O-] S40421 [0,1,0,0,0,0|3,0,0]=4 94 B8R0.21 CCCCCS(N)(=O)=O P29872 [0,1,0,0,0,0|3,0,0]=4 95 B8R0.21 CCCCOS(C)(=O)=O B69150 [0,1,0,0,0,0|1,0,0]=2 96 B8R0.21 COCCOS(C)(=O)=O M39960 [0,1,0,0,0,0|2,0,0]=3 97 B8R0.28 CC(=O)CCC=C(C)C M68353 [0,1,0,0,0,0|1,0,2]=4 98 B8R0.28 CC(=O)CCCC(=O)O A41468 [0,1,0,0,0,0|2,0,1]=4 99 B8R0.28 CC(=O)NCCC(=O)O A60540 [0,1,0,0,0,0|2,0,1]=4 100 B8R0.28 CC(=O)OCOC(C)=O M41231 [0,1,0,0,0,0|1,0,1]=3 101 B8R0.28 CN(C)CCCC(=O)O D43497 [0,1,0,0,0,0|3,0,0]=4 102 B8R1.1 C=C[C@@H]1COC(=O)C1 V64256 [0,0,0,1,0,0|0,0,2]=3 103 B8R1.1 C=C[C@@H]1COC(=O)C1 V64417 [0,0,0,1,0,0|0,0,2]=3 104 B8R1.1 NC[C@@H]1CCC(=O)N1 A19938 [0,0,0,1,0,0|3,0,0]=4 105 B8R1.1 NC[C@@H]1CNC(=O)C1 A15732 [0,0,0,1,0,0|2,0,0]=3 106 B8R1.1 NC[C@@H]1CNC(=O)C1 A27672 [0,0,0,1,0,0|2,0,0]=3 107 B8R1.1 NC[C@@H]1CNC(=O)C1 A7263 [0,0,0,1,0,0|2,0,0]=3 108 B8R1.1 NC[C@@H]1CNC(=O)O1 A27512 [0,0,0,1,0,0|3,0,0]=4 109 B8R1.1 NC[C@H]1CCC(=O)N1 A64040 [0,0,0,1,0,0|3,0,0]=4 110 B8R1.1 NC[C@H]1CNC(=O)C1 A18478 [0,0,0,1,0,0|2,0,0]=3 111 B8R1.1 NC[C@H]1CNC(=O)C1 A27671 [0,0,0,1,0,0|2,0,0]=3 112 B8R1.1 NC[C@H]1CNC(=O)O1 A10733 [0,0,0,1,0,0|3,0,0]=4 113 B8R1.1 NC[C@H]1CNC(=O)O1 A21197 [0,0,0,1,0,0|3,0,0]=4 114 B8R1.1 NC[C@H]1COC(=O)N1 A13336 [0,0,0,1,0,0|2,0,0]=3 115 B8R1.1 O=C1C=C(CBr)CO1 B31582 [0,0,0,1,0,0|1,0,2]=4 116 B8R1.1 O=C1C=C(CI)CO1 I6261 [0,0,0,1,0,0|1,0,2]=4 117 B8R1.1 O=C1C=C(CO)CO1 H1535 [0,0,0,1,0,0|1,0,2]=4 118 B8R1.1 O=C1CC[C@@H](CBr)N1 B41220 [0,0,0,1,0,0|3,0,0]=4 119 B8R1.1 O=C1CC[C@@H](CO)N1 H21817 [0,0,0,1,0,0|3,0,0]=4 120 B8R1.1 O=C1CC[C@@H](CO)O1 H41229 [0,0,0,1,0,0|3,0,0]=4 121 B8R1.1 O=C1CC[C@H](CBr)N1 B32099 [0,0,0,1,0,0|3,0,0]=4 122 B8R1.1 O=C1CC[C@H](CBr)O1 B66357 [0,0,0,1,0,0|3,0,0]=4 123 B8R1.1 O=C1CC[C@H](CI)N1 I2851 [0,0,0,1,0,0|3,0,0]=4 124 B8R1.1 O=C1CC[C@H](CI)O1 I2850 [0,0,0,1,0,0|3,0,0]=4 125 B8R1.1 O=C1CC[C@H](CO)N1 H24798 [0,0,0,1,0,0|3,0,0]=4 126 B8R1.1 O=C1CC[C@H](CO)N1 H7102 [0,0,0,1,0,0|3,0,0]=4 127 B8R1.1 O=C1CC[C@H](CO)O1 H5013 [0,0,0,1,0,0|3,0,0]=4 128 B8R1.1 O=C1C[C@H](CO)CN1 H14660 [0,0,0,1,0,0|2,0,0]=3 129 B8R1.1 O=C1NC[C@@H](CCl)O1 C40210 [0,0,0,1,0,0|3,0,0]=4 130 B8R1.1 O=C1NC[C@@H](CO)O1 H26969 [0,0,0,1,0,0|3,0,0]=4 131 B8R1.1 O=C1NC[C@H](CO)O1 H25217 [0,0,0,1,0,0|3,0,0]=4 132 B8R1.1 O=C1N[C@@H](CI)CO1 K40211 [0,0,0,1,0,0|2,0,0]=3 133 B8R1.1 O=C1N[C@@H](CO)CO1 H62331 [0,0,0,1,0,0|2,0,0]=3 134 B8R1.4 CC1CC(N)CCO1 M26284 [0,0,0,1,0,0|2,0,1]=4 135 B8R1.4 CC1CC(O)CCO1 M14345 [0,0,0,1,0,0|2,0,1]=4 136 B8R1.4 CN1CCCC(=O)C1 M13651 [0,0,0,1,0,0|2,0,0]=3 137 B8R1.4 CN1CCNC(=O)C1 M6975 [0,0,0,1,0,0|2,0,0]=3 138 B8R1.4 CN1CCOC(=O)C1 M41260 [0,0,0,1,0,0|1,0,0]=2 139 B8R1.4 C[C@@H]1CC(=O)CCN1 M10735 [0,0,0,1,0,0|2,0,0]=3 140 B8R1.4 C[C@@H]1CC(=O)CCO1 M11329 [0,0,0,1,0,0|2,0,0]=3 141 B8R1.4 C[C@@H]1CNCC(=O)N1 M13313 [0,0,0,1,0,0|3,0,0]=4 142 B8R1.4 C[C@@H]1COCC(=O)N1 M17373 [0,0,0,1,0,0|3,0,0]=4 143 B8R1.4 C[C@H]1CC(=O)CCN1 M10734 [0,0,0,1,0,0|2,0,0]=3 144 B8R1.4 C[C@H]1CC(=O)CCN1 M19737 [0,0,0,1,0,0|2,0,0]=3 145 B8R1.4 C[C@H]1CC(=O)CCN1 M8156 [0,0,0,1,0,0|2,0,0]=3 146 B8R1.4 C[C@H]1CC(=O)CCO1 M11328 [0,0,0,1,0,0|2,0,0]=3 147 B8R1.4 C[C@H]1CC(=O)CCO1 M14197 [0,0,0,1,0,0|2,0,0]=3 148 B8R1.4 C[C@H]1CCCC(=O)N1 M23832 [0,0,0,1,0,0|2,0,0]=3 149 B8R1.4 C[C@H]1CCNC(=O)C1 M23793 [0,0,0,1,0,0|1,0,0]=2 150 B8R1.4 C[C@H]1CNCC(=O)N1 M11164 [0,0,0,1,0,0|3,0,0]=4 151 B8R1.4 N[C@H]1CCNC(=O)C1 A0054 [0,0,0,1,0,0|2,0,0]=3 152 B8R1.4 N[C@H]1CCNC(=O)C1 A37105 [0,0,0,1,0,0|2,0,0]=3 153 B8R1.4 O=C1CCCC(=O)C1 C38740 [0,0,0,1,0,0|2,0,1]=4 154 B8R1.4 O=C1CCNC(=O)C1 P7969 [0,0,0,1,0,0|2,0,1]=4 155 B8R1.4 O=C1C[C@@H](O)CCN1 H38902 [0,0,0,1,0,0|2,0,0]=3 156 B8R1.4 O=C1C[C@@H](O)CCN1 H41262 [0,0,0,1,0,0|2,0,0]=3 157 B8R1.7 CC(=O)C1CCCC1 C69351 [0,0,0,1,0,0|1,0,0]=2 158 B8R1.7 CC(=O)[C@H]1NCCS1 T41381 [0,0,0,1,0,0|3,0,0]=4 159 B8R1.7 C[C@H](N)C1CCCC1 C31670 [0,0,0,1,0,0|2,0,1]=4 160 B8R1.7 NC(=O)[C@@H]1CCCN1 P23637 [0,0,0,1,0,0|3,0,0]=4 161 B8R1.7 NC(=O)[C@@H]1CCCN1 P64914 [0,0,0,1,0,0|3,0,0]=4 162 B8R1.7 NC(=O)[C@@H]1CCCN1 P67734 [0,0,0,1,0,0|3,0,0]=4 163 B8R1.7 NC(=O)[C@@H]1CCNC1 P0296 [0,0,0,1,0,0|3,0,0]=4 164 B8R1.7 NC(=O)[C@H]1CCCN1 P40370 [0,0,0,1,0,0|3,0,0]=4 165 B8R1.7 NC(=O)[C@H]1CCNC1 P0295 [0,0,0,1,0,0|3,0,0]=4 166 B8R1.7 NC(=O)[C@H]1CCNC1 P1146 [0,0,0,1,0,0|3,0,0]=4 167 B8R1.7 NC(=O)[C@H]1CCNC1 P7510 [0,0,0,1,0,0|3,0,0]=4 168 B8R1.7 NC(=O)[C@H]1CCNC1 P7511 [0,0,0,1,0,0|3,0,0]=4 169 B8R1.7 NC(=O)[C@H]1CCOC1 T11900 [0,0,0,1,0,0|3,0,0]=4 170 B8R1.7 O=C(Cl)[C@H]1CCOC1 T41177 [0,0,0,1,0,0|3,0,0]=4 171 B8R1.7 O=C(O)C1=CCCC1 C43305 [0,0,0,1,0,0|2,0,1]=4 172 B8R1.7 O=C(O)C1CCCC1 C23144 [0,0,0,1,0,0|2,0,0]=3 173 B8R1.7 O=C(O)[C@@H]1CCCN1 P69799 [0,0,0,1,0,0|3,0,0]=4 174 B8R1.7 O=C(O)[C@@H]1CCCO1 T37842 [0,0,0,1,0,0|3,0,0]=4 175 B8R1.7 O=C(O)[C@@H]1CCCO1 X25975 [0,0,0,1,0,0|3,0,0]=4 176 B8R1.7 O=C(O)[C@@H]1CCCS1 T41225 [0,0,0,1,0,0|3,0,0]=4 177 B8R1.7 O=C(O)[C@@H]1CCNC1 P12309 [0,0,0,1,0,0|3,0,0]=4 178 B8R1.7 O=C(O)[C@@H]1CCNC1 P6961 [0,0,0,1,0,0|3,0,0]=4 179 B8R1.7 O=C(O)[C@@H]1CCOC1 T1673 [0,0,0,1,0,0|3,0,0]=4 180 B8R1.7 O=C(O)[C@H]1CCCO1 T25974 [0,0,0,1,0,0|3,0,0]=4 181 B8R1.7 O=C(O)[C@H]1CCNC1 P1152 [0,0,0,1,0,0|3,0,0]=4 182 B8R1.7 O=C(O)[C@H]1CCNC1 P1524 [0,0,0,1,0,0|3,0,0]=4 183 B8R1.7 O=C(O)[C@H]1CCNC1 P15767 [0,0,0,1,0,0|3,0,0]=4 184 B8R1.7 O=C(O)[C@H]1CCNC1 P41372 [0,0,0,1,0,0|3,0,0]=4 185 B8R1.7 O=C(O)[C@H]1CCOC1 T0394 [0,0,0,1,0,0|3,0,0]=4 186 B8R1.7 O=C(O)[C@H]1CCOC1 T0395 [0,0,0,1,0,0|3,0,0]=4 187 B8R1.22 O=C1C=CCCCC1 C67890 [0,0,0,1,0,0|1,0,1]=3 188 B8R1.22 O=C1CCCNCC1 H12307 [0,0,0,1,0,0|2,0,0]=3 189 B8R1.22 O=C1CCOCCN1 X16165 [0,0,0,1,0,0|2,0,0]=3 190 B8R1.22 O=C1CCSCCN1 T6235 [0,0,0,1,0,0|2,0,0]=3 191 B8R1.22 O=C1CNCCCN1 D38834 [0,0,0,1,0,0|2,0,0]=3 192 B8R1.31 CC1NCC1C(=O)O M27890 [0,0,0,1,0,0|3,0,0]=4 193 B8R1.31 CN1CC[C@@H]1C(=O)O M22677 [0,0,0,1,0,0|3,0,0]=4 194 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O A30118 [0,0,0,1,0,0|3,0,0]=4 195 B8R1.31 N[C@@H]1CC[C@@H]1C(=O)O A13712 [0,0,0,1,0,0|3,0,0]=4 196 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O A13711 [0,0,0,1,0,0|3,0,0]=4 197 B8R1.31 N[C@H]1CC[C@@H]1C(=O)O A13334 [0,0,0,1,0,0|3,0,0]=4 198 B8R1.31 N[C@H]1CC[C@H]1C(=O)O A13518 [0,0,0,1,0,0|3,0,0]=4 199 B8R1.31 N[C@H]1CC[C@H]1C(=O)O A29882 [0,0,0,1,0,0|3,0,0]=4 200 B8R1.31 O=C(O)C1CCC1F F59749 [0,0,0,1,0,0|3,0,0]=4 201 B8R1.34 CC(=O)NC1CNC1 A1331 [0,0,0,1,0,0|2,0,0]=3 202 B8R1.34 CC(=O)OC1CNC1 A41259 [0,0,0,1,0,0|1,0,0]=2 203 B8R1.34 CC(=O)OC1CNC1 A43595 [0,0,0,1,0,0|1,0,0]=2 204 B8R1.34 CC(=O)SC1CNC1 T12525 [0,0,0,1,0,0|1,1,0]=3 205 B8R1.34 CC(C)OC1CNC1 A10108 [0,0,0,1,0,0|2,0,1]=4 206 B8R1.34 O=C(O)C=C1CCC1 C10691 [0,0,0,1,0,0|2,0,1]=4 207 B8R1.34 O=C(O)CC1CCC1 C24745 [0,0,0,1,0,0|2,0,0]=3 208 B8R1.34 O=C(O)CC1CNC1 A10213 [0,0,0,1,0,0|3,0,0]=4 209 B8R1.34 O=C(O)CC1COC1 X6649 [0,0,0,1,0,0|3,0,0]=4 210 B8R1.35 O=C(O)\C=C\C1CC1 C29885 [0,0,0,1,0,0|2,0,1]=4 211 B8R1.72 CC1(C)CNCCO1 D11989 [0,0,0,1,0,0|2,0,1]=4 212 B8R1.72 CC1(C)CNCCO1 D1343 [0,0,0,1,0,0|2,0,1]=4 213 B8R1.72 CC1(O)CCCCC1 M43886 [0,0,0,1,0,0|1,0,2]=4 214 B8R1.72 O=S1(=O)CCCCN1 T40268 [0,0,0,1,0,0|3,0,0]=4 215 B8R1.72 O=S1(=O)CCCCO1 B69155 [0,0,0,1,0,0|2,0,0]=3 216 B5R0.1 C=C(C)OCC E5573 [2,0,0,0,0,0|1,0,0]=3 217 B5R0.1 CC(=O)CC#N X40158 [2,0,0,0,0,0|1,0,1]=4 218 B5R0.1 CC(=O)CCCl C69539 [2,0,0,0,0,0|1,0,0]=3 219 B5R0.1 CCC[C@@H](C)N P16023 [2,0,0,0,0,0|1,0,1]=4 220 B5R0.1 CCC[C@H](C)N P22363 [2,0,0,0,0,0|1,0,1]=4 221 B5R0.1 CCOC(=N)N E36845 [2,0,0,0,0,0|2,0,0]=4 222 B5R0.1 CCOC(=S)[S-] P69346 [2,0,0,0,0,0|1,1,0]=4 223 B5R0.1 CCOC(C)=N E68065 [2,0,0,0,0,0|1,0,0]=3 224 B5R0.1 CNCC(=O)O M68590 [2,0,0,0,0,0|2,0,0]=4 225 B5R0.1 CNCC(N)=O M68358 [2,0,0,0,0,0|2,0,0]=4 226 B5R0.1 COCC(=O)O M69331 [2,0,0,0,0,0|2,0,0]=4 227 B5R0.1 NCCC(N)=O A67869 [2,0,0,0,0,0|2,0,0]=4 228 B5R0.2 C=CCCCBr B41237 [2,0,0,0,0,0|1,0,1]=4 229 B5R0.2 C=CCCCCl C41238 [2,0,0,0,0,0|1,0,1]=4 230 B5R0.2 C=CCCCO P36921 [2,0,0,0,0,0|1,0,1]=4 231 B5R0.2 CCCCON B40310 [2,0,0,0,0,0|1,0,0]=3 232 B5R0.2 CNCCCCl C39954 [2,0,0,0,0,0|2,0,0]=4 233 B5R0.2 CNCCCO M36844 [2,0,0,0,0,0|2,0,0]=4 234 B5R0.2 CNCCOC M23409 [2,0,0,0,0,0|1,0,0]=3 235 B5R0.2 COCCC#N M39153 [2,0,0,0,0,0|1,0,1]=4 236 B5R0.2 COCCCBr B68335 [2,0,0,0,0,0|1,0,0]=3 237 B5R0.2 COCCCO M69411 [2,0,0,0,0,0|1,0,0]=3 238 B7R0.2 CCC(=O)CC(C)=O H69646 [1,1,0,0,0,0|0,0,1]=3 239 B7R0.2 CCC(=O)OC(C)=O A41227 [1,1,0,0,0,0|0,0,1]=3 240 B7R0.2 CC[C@H](C)CC(=O)O M41552 [1,1,0,0,0,0|1,0,0]=3 241 B7R0.2 CC[C@H](N)CC(=O)O A69512 [1,1,0,0,0,0|1,0,0]=3 242 B7R0.2 NC[C@@H](O)CC(=O)O A32052 [1,1,0,0,0,0|2,0,0]=4 243 B7R0.2 NC[C@H](O)CC(=O)O A67723 [1,1,0,0,0,0|2,0,0]=4 244 B7R0.2 N[C@@H](CO)CC(=O)O A38154 [1,1,0,0,0,0|2,0,0]=4 245 B7R0.3 C=CCOC(=O)CI P7846 [1,1,0,0,0,0|0,0,2]=4 246 B7R0.3 CCCCC(=O)NN P40425 [1,1,0,0,0,0|1,0,0]=3 247 B7R0.3 CCCC[C@@H](N)CO A43512 [1,1,0,0,0,0|1,0,1]=4 248 B7R0.3 CCCC[C@@H]([Mg+])CC E31708 [1,1,0,0,0,0|1,0,1]=4 249 B7R0.3 CCCOC(=O)OC M40388 [1,1,0,0,0,0|0,0,0]=2 250 B7R0.3 CNCCC(=O)OC M40412 [1,1,0,0,0,0|1,0,0]=3 251 B7R0.3 COC(=N)CCCCl M40379 [1,1,0,0,0,0|2,0,0]=4 252 B7R0.3 COC(=O)CCCBr M39189 [1,1,0,0,0,0|1,0,0]=3 253 B7R0.3 COC(=O)CCCCl M60517 [1,1,0,0,0,0|1,0,0]=3 254 B7R0.3 COC(=O)CCCN M32376 [1,1,0,0,0,0|1,0,0]=3 255 B7R0.5 CCC[C@@H](N)C(=O)O N40406 [1,1,0,0,0,0|1,0,0]=3 256 B7R0.5 CCC[C@H](O)C(=O)O H40390 [1,1,0,0,0,0|1,0,0]=3 257 B7R0.5 CCOC(=O)C(C)=O E60800 [1,1,0,0,0,0|1,0,1]=4 258 B7R0.5 COC[C@@H](N)C(=O)O A40353 [1,1,0,0,0,0|2,0,0]=4 259 B7R0.5 COC[C@@H](N)C(=O)O A61058 [1,1,0,0,0,0|2,0,0]=4 260 B7R0.5 COC[C@H](Br)C(=O)O B40233 [1,1,0,0,0,0|2,0,0]=4 261 B7R0.5 COC[C@H](N)C(=O)O A40354 [1,1,0,0,0,0|2,0,0]=4 262 B7R0.5 COC[C@H](N)C(=O)O A67760 [1,1,0,0,0,0|2,0,0]=4 263 B7R0.5 NCC[C@@H](N)C(=O)O D40355 [1,1,0,0,0,0|2,0,0]=4 264 B7R0.5 NCC[C@H](F)C(=O)O A63044 [1,1,0,0,0,0|2,0,0]=4 265 B7R0.5 NCC[C@H](N)C(=O)O D37858 [1,1,0,0,0,0|2,0,0]=4 266 B7R0.5 NCC[C@H](N)C(=O)O D68313 [1,1,0,0,0,0|2,0,0]=4 267 B7R0.5 NCC[C@H](O)C(=O)O A39157 [1,1,0,0,0,0|2,0,0]=4 268 B7R0.5 N[C@@H](CCBr)C(=O)O A37762 [1,1,0,0,0,0|2,0,0]=4 269 B7R0.5 N[C@@H](CCO)C(=O)O A68603 [1,1,0,0,0,0|2,0,0]=4 270 B7R0.5 N[C@@H](CCS)C(=O)O H68345 [1,1,0,0,0,0|2,0,0]=4 271 B7R0.5 N[C@H](CCO)C(=O)O A68363 [1,1,0,0,0,0|2,0,0]=4 272 B7R0.5 N[C@H](CCS)C(=O)O A66150 [1,1,0,0,0,0|2,0,0]=4 273 B7R0.6 CC(=O)CCC(C)=O H64912 [1,1,0,0,0,0|0,0,1]=3 274 B7R0.6 CC(=O)CNC(C)=O X41261 [1,1,0,0,0,0|1,0,1]=4 275 B7R0.6 CC(=O)NNC(C)C P40426 [1,1,0,0,0,0|2,0,0]=4 276 B7R0.6 CN(C)CCC(=O)O D41335 [1,1,0,0,0,0|2,0,0]=4 277 B7R0.6 C[C@H](O)CC[C@H](C)O H68605 [1,1,0,0,0,0|0,0,2]=4 278 B7R0.6 O=C(O)CCC(F)F D59737 [1,1,0,0,0,0|2,0,0]=4 279 B7R0.8 CS(=O)(=O)CCCO M6981 [1,1,0,0,0,0|2,0,0]=4 280 B7R0.1 C=CCCCCCBr B43831 [1,1,0,0,0,0|1,0,1]=4 281 B7R0.1 C=CCCCCNC M43901 [1,1,0,0,0,0|1,0,1]=4 282 B7R0.1 C=CCCCCNC M46504 [1,1,0,0,0,0|1,0,1]=4 283 B7R0.1 CCCCCCCBr B43897 [1,1,0,0,0,0|1,0,1]=4 284 B7R0.1 CCCCCCC[Mg+] H31707 [1,1,0,0,0,0|1,0,1]=4 285 B7R0.1 CNCCCCNC D41624 [1,1,0,0,0,0|2,0,0]=4 286 B7R0.1 COCCOCCI K40420 [1,1,0,0,0,0|1,0,1]=4 287 B7R0.1 COCCOCCN M38824 [1,1,0,0,0,0|1,0,1]=4 288 B7R0.1 O=CCCCCC=O A3137 [1,1,0,0,0,0|1,0,1]=4 289 B9R0.34 CCCC(=O)CC(=O)OC M39290 [0,2,0,0,0,0|1,0,1]=4 290 B9R0.53 CC(C)C[C@H](N)CC(=O)O A43926 [0,2,0,0,0,0|2,0,0]=4 291 B9R0.53 CC(C)C[C@H](N)CC(=O)O A43928 [0,2,0,0,0,0|2,0,0]=4 292 B9R0.58 CCC[C@](C)(O)CC(=O)O H69517 [0,2,0,0,0,0|2,0,0]=4 293 B9R0.1 C=C(C)CCCC(=O)OC M47085 [0,2,0,0,0,0|1,0,1]=4 294 B9R0.1 COC(=O)CCCC(C)=O M62839 [0,2,0,0,0,0|1,0,1]=4 295 B9R0.5 CCCC=CC(=O)OCC E47082 [0,2,0,0,0,0|1,0,1]=4 296 B9R0.5 CCOC(=O)CCCCBr E39295 [0,2,0,0,0,0|2,0,0]=4 297 B9R0.5 CCOC(=O)CCCCN E46517 [0,2,0,0,0,0|2,0,0]=4 298 B9R0.8 CCCC[C@H](N)C(=O)OC M46518 [0,2,0,0,0,0|1,0,0]=3 299 B9R0.8 COC(=O)[C@@H](Br)CCCBr M41466 [0,2,0,0,0,0|2,0,0]=4 300 B9R0.46 C=CC(=O)NCCCCO H43842 [0,2,0,0,0,0|1,0,1]=4 301 B9R0.46 COC(=O)CCCCCBr M39296 [0,2,0,0,0,0|1,0,0]=3 302 B9R0.46 COC(=O)CCCCCN M67967 [0,2,0,0,0,0|1,0,0]=3 303 B9R0.47 C=C(C)C(=O)NCCCN A46499 [0,2,0,0,0,0|2,0,0]=4 304 B9R0.47 CCCCC[C@@H](N)C(=O)O A43920 [0,2,0,0,0,0|2,0,0]=4 305 B9R0.47 CCCCC[C@H](N)C(=O)O A43919 [0,2,0,0,0,0|2,0,0]=4 306 B9R0.47 CCCCC[C@H](N)C(=O)O A43921 [0,2,0,0,0,0|2,0,0]=4 307 B9R0.47 CCCCOC(=O)[C@H](C)N B43923 [0,2,0,0,0,0|0,0,0]=2 308 B9R0.47 NCCCC[C@@H](N)C(=O)O L64962 [0,2,0,0,0,0|2,0,0]=4 309 B9R0.47 NCCCC[C@H](N)C(N)=O D43569 [0,2,0,0,0,0|2,0,0]=4 310 B9R0.2 CC(=O)OCCCCCBr B43861 [0,2,0,0,0,0|0,0,0]=2 311 B9R0.2 NCCCCCCC(=O)O A46516 [0,2,0,0,0,0|2,0,0]=4 312 B9R0.2 NCCCCCCC(=O)O A67452 [0,2,0,0,0,0|2,0,0]=4 313 B9R0.2 O=C(O)CCCCCCBr B43862 [0,2,0,0,0,0|2,0,0]=4 314 B9R0.2 O=C(O)CCCCCCO H36659 [0,2,0,0,0,0|2,0,0]=4 315 B9R0.48 CCOC(=O)CCC(C)=O E36601 [0,2,0,0,0,0|1,0,1]=4 316 B9R0.48 CCOC(=O)CNC(C)=O E68877 [0,2,0,0,0,0|1,0,1]=4 317 B9R0.55 CC(=O)CCCCC(=O)O A43811 [0,2,0,0,0,0|1,0,1]=4 318 B9R0.55 CC(=O)CCCOC(C)=O X62778 [0,2,0,0,0,0|0,0,0]=2 319 B9R0.7 CC(=O)OC[C@H](N)C(=O)O A41380 [0,2,0,0,0,0|1,0,1]=4 320 B9R0.7 CC(C)CC[C@@H](N)C(=O)O A43927 [0,2,0,0,0,0|2,0,0]=4 321 B9R0.13 CCCC[C@H](CC)C(=O)[O-] P46623 [0,2,0,0,0,0|2,0,0]=4 322 B9R0.43 COC(CNC(C)=O)OC D41591 [0,2,0,0,0,0|2,0,0]=4 323 B9R0.56 CC(=O)SCC[N+](C)(C)C A38049 [0,2,0,0,0,0|1,1,0]=4 324 B7R1.2 CC1=CC(=O)CC1 M22783 [1,0,0,1,0,0|0,0,2]=4 325 B7R1.2 CN1CCC(=O)C1 M5444 [1,0,0,1,0,0|1,0,0]=3 326 B7R1.2 C[C@@H]1CC[C@@H](C)N1 D60301 [1,0,0,1,0,0|1,0,1]=4 327 B7R1.2 C[C@@H]1CNC(=O)C1 P22910 [1,0,0,1,0,0|1,0,0]=3 328 B7R1.2 C[C@@H]1COC(=O)N1 M32194 [1,0,0,1,0,0|1,0,0]=3 329 B7R1.2 C[C@H]1CCC(=O)N1 M61805 [1,0,0,1,0,0|1,0,0]=3 330 B7R1.2 C[C@H]1COC(=O)N1 M40226 [1,0,0,1,0,0|1,0,0]=3 331 B7R1.2 N[C@@H]1CNC(=O)C1 A11620 [1,0,0,1,0,0|2,0,0]=4 332 B7R1.2 N[C@@H]1CNC(=O)C1 A20556 [1,0,0,1,0,0|2,0,0]=4 333 B7R1.2 N[C@@H]1CNC(=O)C1 A24834 [1,0,0,1,0,0|2,0,0]=4 334 B7R1.2 N[C@@H]1CNC(=O)C1 P21713 [1,0,0,1,0,0|2,0,0]=4 335 B7R1.2 N[C@@H]1COC(=O)C1 A40337 [1,0,0,1,0,0|1,0,0]=3 336 B7R1.2 N[C@H]1CNC(=O)C1 A27147 [1,0,0,1,0,0|2,0,0]=4 337 B7R1.2 N[C@H]1COC(=O)C1 A37707 [1,0,0,1,0,0|1,0,0]=3 338 B7R1.2 O=C1CCC(=O)C1 C13761 [1,0,0,1,0,0|1,0,1]=4 339 B7R1.2 O=C1CC[C@H](O)C1 H22750 [1,0,0,1,0,0|1,0,0]=3 340 B7R1.2 O=C1C[C@@H](O)CN1 H22487 [1,0,0,1,0,0|2,0,0]=4 341 B7R1.2 O=C1C[C@@H](S)CN1 M12154 [1,0,0,1,0,0|2,0,0]=4 342 B7R1.2 O=C1C[C@H](O)CN1 H15629 [1,0,0,1,0,0|2,0,0]=4 343 B7R1.2 O=C1C[C@H](O)CN1 H38056 [1,0,0,1,0,0|2,0,0]=4 344 B7R1.2 O=C1OC[C@H](F)O1 F39135 [1,0,0,1,0,0|2,0,0]=4 345 B7R1.3 BrC1CCCCC1 B69054 [1,0,0,1,0,0|1,0,1]=4 346 B7R1.3 C=C1CCNCC1 M19855 [1,0,0,1,0,0|2,0,0]=4 347 B7R1.3 C=C1CCOCC1 M23324 [1,0,0,1,0,0|2,0,0]=4 348 B7R1.3 CC1=CCCNC1 M12102 [1,0,0,1,0,0|2,0,0]=4 349 B7R1.3 CC1=CCNCC1 M26826 [1,0,0,1,0,0|2,0,0]=4 350 B7R1.3 C[C@H]1CCCCN1 M43475 [1,0,0,1,0,0|1,0,1]=4 351 B7R1.3 NC1CCCCC1 C39283 [1,0,0,1,0,0|1,0,1]=4 352 B7R1.3 O=C1CCCCN1 P69632 [1,0,0,1,0,0|1,0,0]=3 353 B7R1.3 O=C1CCCNC1 P1523 [1,0,0,1,0,0|1,0,0]=3 354 B7R1.3 O=C1CCCNC1 P31811 [1,0,0,1,0,0|1,0,0]=3 355 B7R1.3 O=C1CCCOC1 T7026 [1,0,0,1,0,0|1,0,0]=3 356 B7R1.3 O=C1CCCSC1 T1776 [1,0,0,1,0,0|1,0,0]=3 357 B7R1.3 O=C1CCNCC1 P23503 [1,0,0,1,0,0|1,0,0]=3 358 B7R1.3 O=C1CCOCC1 T4632 [1,0,0,1,0,0|1,0,0]=3 359 B7R1.3 O=C1CCSCC1 T6200 [1,0,0,1,0,0|1,0,0]=3 360 B7R1.3 O=C1CNCCN1 P10419 [1,0,0,1,0,0|2,0,0]=4 361 B7R1.3 O=C1COCCN1 M7700 [1,0,0,1,0,0|2,0,0]=4 362 B7R1.3 O=C1COCCO1 D38663 [1,0,0,1,0,0|1,0,0]=3 363 B7R1.3 O=C1CSCCN1 T40230 [1,0,0,1,0,0|2,0,0]=4 364 B7R1.3 O=S1CCNCC1 T5787 [1,0,0,1,0,0|2,0,0]=4 365 B7R1.3 [Mg+]C1CCCCC1 C31701 [1,0,0,1,0,0|1,0,1]=4 366 B7R1.5 CCC[C@@H]1ON1C M65450 [1,0,0,1,0,0|1,0,1]=4 367 B7R1.10 N#CC1CC(=O)C1 X10543 [1,0,0,1,0,0|1,0,1]=4 368 B7R1.10 NCC1CC(=O)C1 SB7355 [1,0,0,1,0,0|1,0,0]=3 369 B7R1.10 O=C1CC(CBr)C1 B11904 [1,0,0,1,0,0|1,0,0]=3 370 B7R1.10 O=C1CC(CO)C1 H0725 [1,0,0,1,0,0|1,0,0]=3 371 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O M59914 [1,0,0,1,0,0|1,0,0]=3 372 B7R1.12 C[C@@H]1C[C@H]1C(=O)O M24588 [1,0,0,1,0,0|1,0,0]=3 373 B7R1.12 C[C@H]1C[C@H]1C(=O)O M24546 [1,0,0,1,0,0|1,0,0]=3 374 B7R1.12 C[C@H]1C[C@H]1C(=O)O M59857 [1,0,0,1,0,0|1,0,0]=3 375 B7R1.12 O=C(O)C1CC1F F20460 [1,0,0,1,0,0|2,0,0]=4 376 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F F8695 [1,0,0,1,0,0|2,0,0]=4 377 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I K67056 [1,0,0,1,0,0|2,0,0]=4 378 B7R1.12 O=C(O)[C@@H]1C[C@H]1F F18516 [1,0,0,1,0,0|2,0,0]=4 379 B7R1.12 O=C(O)[C@@H]1C[C@H]1F F21701 [1,0,0,1,0,0|2,0,0]=4 380 B7R1.12 O=C(O)[C@H]1C[C@@H]1F F21702 [1,0,0,1,0,0|2,0,0]=4 381 B7R1.14 CC1(O)CCCC1 M41551 [1,0,0,1,0,0|0,0,2]=4 382 B7R1.14 O=S1(=O)CCCO1 X68360 [1,0,0,1,0,0|2,0,0]=4 383 B7R1.18 CC(=O)C1CCC1 C22926 [1,0,0,1,0,0|0,0,0]=2 384 B7R1.18 CC(=O)C1CNC1 A18542 [1,0,0,1,0,0|1,0,0]=3 385 B7R1.18 C[C@H](N)C1CCC1 C29990 [1,0,0,1,0,0|1,0,1]=4 386 B7R1.18 N=C(N)C1CCC1 C11379 [1,0,0,1,0,0|2,0,0]=4 387 B7R1.18 NC(=O)C1CCC1 C36760 [1,0,0,1,0,0|1,0,0]=3 388 B7R1.18 NC(=O)C1CNC1 A0189 [1,0,0,1,0,0|2,0,0]=4 389 B7R1.18 NC(=O)C1CNC1 A10232 [1,0,0,1,0,0|2,0,0]=4 390 B7R1.18 O=C(O)C1CCC1 C39184 [1,0,0,1,0,0|1,0,0]=3 391 B7R1.18 O=C(O)C1CNC1 A0022 [1,0,0,1,0,0|2,0,0]=4 392 B7R1.18 O=C(O)C1CNC1 A62344 [1,0,0,1,0,0|2,0,0]=4 393 B7R1.18 O=C(O)[C@@H]1CCN1 A0692 [1,0,0,1,0,0|2,0,0]=4 394 B7R1.18 O=C(O)[C@@H]1CCN1 A0705 [1,0,0,1,0,0|2,0,0]=4 395 B7R1.18 O=C(O)[C@@H]1CCO1 X60210 [1,0,0,1,0,0|2,0,0]=4 396 B7R1.18 O=C(O)[C@@H]1CCO1 X6939 [1,0,0,1,0,0|2,0,0]=4 397 B7R1.18 O=C(O)[C@H]1CCN1 A0706 [1,0,0,1,0,0|2,0,0]=4 398 B7R1.18 O=C(O)[C@H]1CCN1 A40336 [1,0,0,1,0,0|2,0,0]=4 399 B7R1.18 O=C(O)[C@H]1CCO1 X60294 [1,0,0,1,0,0|2,0,0]=4 400 B7R1.20 O=C(O)CC1CC1 C11216 [1,0,0,1,0,0|1,0,0]=3 401 B7R1.1 BrC[C@H]1CCOC1 T0399 [1,0,0,1,0,0|1,0,1]=4 402 B7R1.1 CC[C@@H]1CCNC1 E22541 [1,0,0,1,0,0|1,0,1]=4 403 B7R1.1 CC[C@H]1CCNC1 E22542 [1,0,0,1,0,0|1,0,1]=4 404 B7R1.1 CN[C@@H]1CCOC1 M15031 [1,0,0,1,0,0|1,0,1]=4 405 B7R1.1 CN[C@H]1CCOC1 M1156 [1,0,0,1,0,0|1,0,1]=4 406 B7R1.1 IC[C@H]1CCOC1 I12451 [1,0,0,1,0,0|1,0,1]=4 407 B7R1.1 NC[C@@H]1CCOC1 T10325 [1,0,0,1,0,0|1,0,1]=4 408 B7R1.1 NC[C@@H]1CCOC1 T1675 [1,0,0,1,0,0|1,0,1]=4 409 B7R1.1 NC[C@H]1CCOC1 T10324 [1,0,0,1,0,0|1,0,1]=4 410 B7R1.1 NC[C@H]1CCOC1 T1153 [1,0,0,1,0,0|1,0,1]=4 411 B7R1.1 NC[C@H]1CCOC1 T1674 [1,0,0,1,0,0|1,0,1]=4 412 B7R1.1 NC[C@H]1CCOC1 T7262 [1,0,0,1,0,0|1,0,1]=4 413 B7R1.1 O=CC1=CCCC1 C69466 [1,0,0,1,0,0|1,0,1]=4 414 B7R1.1 O=CC1CCCC1 C25963 [1,0,0,1,0,0|1,0,0]=3 415 B7R1.1 OCC1CC=CC1 C11867 [1,0,0,1,0,0|2,0,0]=4 416 B7R1.1 OC[C@@H]1CCOC1 T0397 [1,0,0,1,0,0|1,0,1]=4 417 B7R1.1 OC[C@H]1CCOC1 T0396 [1,0,0,1,0,0|1,0,1]=4 418 B7R1.1 OC[C@H]1CCOC1 T0398 [1,0,0,1,0,0|1,0,1]=4 419 B7R1.4 CN1CCNC1=O M40241 [1,0,0,1,0,0|2,0,0]=4 420 B7R1.4 C[C@@H]1OCCC1=O M41223 [1,0,0,1,0,0|2,0,0]=4 421 B7R1.4 C[C@H]1CCCC1=O M41458 [1,0,0,1,0,0|1,0,0]=3 422 B7R1.4 C[C@H]1CCNC1=O M41257 [1,0,0,1,0,0|1,0,0]=3 423 B7R1.4 C[C@H]1CCOC1=O M41224 [1,0,0,1,0,0|0,0,0]=2 424 B7R1.4 N[C@@H]1CCNC1=O A40242 [1,0,0,1,0,0|2,0,0]=4 425 B7R1.4 N[C@@H]1CCNC1=O A62971 [1,0,0,1,0,0|2,0,0]=4 426 B7R1.4 N[C@@H]1CCOC1=O H68344 [1,0,0,1,0,0|1,0,0]=3 427 B7R1.4 N[C@H]1CCNC1=O A24294 [1,0,0,1,0,0|2,0,0]=4 428 B7R1.4 N[C@H]1CCOC1=O A40300 [1,0,0,1,0,0|1,0,0]=3 429 B7R1.4 N[C@H]1CCOC1=O A40335 [1,0,0,1,0,0|1,0,0]=3 430 B7R1.4 O=C1NCC[C@@H]1O H20173 [1,0,0,1,0,0|2,0,0]=4 431 B7R1.4 O=C1NCC[C@@H]1O H37914 [1,0,0,1,0,0|2,0,0]=4 432 B7R1.4 O=C1NCC[C@H]1O H40227 [1,0,0,1,0,0|2,0,0]=4 433 B7R1.4 O=C1OCC[C@@H]1Br B31114 [1,0,0,1,0,0|1,0,0]=3 434 B7R1.6 CCOC1CNC1 E41322 [1,0,0,1,0,0|1,0,1]=4 435 B7R1.6 OCC[C@H]1CCO1 X59677 [1,0,0,1,0,0|1,0,1]=4 436 B7R1.8 O=C1CC[C@@H]1CO H13228 [1,0,0,1,0,0|2,0,0]=4 437 B7R1.24 C1=CCCNCC1 T67173 [1,0,0,1,0,0|2,0,0]=4 438 B7R1.24 C1CCCNCC1 H64495 [1,0,0,1,0,0|1,0,1]=4 439 B7R1.24 C1CNCCOC1 X1345 [1,0,0,1,0,0|1,0,1]=4 440 B9R1.7 CCC[C@H]1COC(=O)C1 P43806 [0,1,0,1,0,0|0,0,0]=2 441 B9R1.7 O=S1OCC(CCCl)O1 C65668 [0,1,0,1,0,0|2,0,0]=4 442 B9R1.13 CC(=O)N[C@@H]1CCNC1 A14336 [0,1,0,1,0,0|1,0,0]=3 443 B9R1.13 CC(=O)N[C@H]1CCNC1 A14335 [0,1,0,1,0,0|1,0,0]=3 444 B9R1.13 CC(=O)N[C@H]1CCNC1 P63075 [0,1,0,1,0,0|1,0,0]=3 445 B9R1.13 O=C(Cl)OC1CCCC1 C43402 [0,1,0,1,0,0|1,0,0]=3 446 B9R1.13 O=C(O)CC1CCCC1 C16642 [0,1,0,1,0,0|2,0,0]=4 447 B9R1.13 O=C(O)CN1CCCC1 P41503 [0,1,0,1,0,0|2,0,0]=4 448 B9R1.13 O=C(O)CN1CCCC1 P43441 [0,1,0,1,0,0|2,0,0]=4 449 B9R1.13 O=C(O)C[C@@H]1CCCN1 H14057 [0,1,0,1,0,0|2,0,0]=4 450 B9R1.13 O=C(O)C[C@@H]1CCCN1 P41505 [0,1,0,1,0,0|2,0,0]=4 451 B9R1.13 O=C(O)C[C@@H]1CCNC1 P14180 [0,1,0,1,0,0|2,0,0]=4 452 B9R1.13 O=C(O)C[C@H]1CCCN1 H14056 [0,1,0,1,0,0|2,0,0]=4 453 B9R1.13 O=C(O)C[C@H]1CCCN1 P43445 [0,1,0,1,0,0|2,0,0]=4 454 B9R1.13 O=C(O)C[C@H]1CCCN1 P69047 [0,1,0,1,0,0|2,0,0]=4 455 B9R1.13 O=C(O)C[C@H]1CCNC1 P10341 [0,1,0,1,0,0|2,0,0]=4 456 B9R1.13 O=C(O)C[C@H]1CCNC1 P14181 [0,1,0,1,0,0|2,0,0]=4 457 B9R1.13 O=C(O)C[C@H]1CCNC1 P43442 [0,1,0,1,0,0|2,0,0]=4 458 B9R1.13 O=C(O)C[C@H]1CCOC1 X19979 [0,1,0,1,0,0|2,0,0]=4 459 B9R1.34 CC1CC(=O)CC(=O)C1 M43717 [0,1,0,1,0,0|1,0,1]=4 460 B9R1.34 C[C@H]1CC(=O)C[C@@H](C)O1 D19918 [0,1,0,1,0,0|2,0,0]=4 461 B9R1.41 CN1CCC[C@@H]1C(=O)O M24378 [0,1,0,1,0,0|2,0,0]=4 462 B9R1.41 CN1CCC[C@@H]1C(=O)O M29559 [0,1,0,1,0,0|2,0,0]=4 463 B9R1.41 CN1CCC[C@@H]1C(=O)O M43438 [0,1,0,1,0,0|2,0,0]=4 464 B9R1.41 CN1CCC[C@H]1C(=O)O M22169 [0,1,0,1,0,0|2,0,0]=4 465 B9R1.41 CN1CCC[C@H]1C(=O)O M24873 [0,1,0,1,0,0|2,0,0]=4 466 B9R1.41 CN1CCC[C@H]1C(=O)O M43447 [0,1,0,1,0,0|2,0,0]=4 467 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O A23278 [0,1,0,1,0,0|2,0,0]=4 468 B9R1.48 C[C@H]1CC(=O)NCCN1 H7872 [0,1,0,1,0,0|1,0,0]=3 469 B9R1.48 O=C1CCCCC(=O)C1 C37584 [0,1,0,1,0,0|1,0,1]=4 470 B9R1.48 O=C1CCCNC(=O)C1 A43379 [0,1,0,1,0,0|1,0,1]=4 471 B9R1.53 CC(=O)NC1CC(N)C1 A30123 [0,1,0,1,0,0|1,0,0]=3 472 B9R1.53 CC(=O)NC1CC(N)C1 N14377 [0,1,0,1,0,0|1,0,0]=3 473 B9R1.53 CC(=O)OC1CC(=O)C1 X11663 [0,1,0,1,0,0|0,0,1]=3 474 B9R1.53 CC(=O)O[C@H]1CC(=O)N1 A15221 [0,1,0,1,0,0|1,0,1]=4 475 B9R1.53 NC1CC(CC(=O)O)C1 A11674 [0,1,0,1,0,0|2,0,0]=4 476 B9R1.53 N[C@H]1C[C@@H](CC(=O)O)C1 A11675 [0,1,0,1,0,0|2,0,0]=4 477 B9R1.53 N[C@H]1C[C@@H](CC(=O)O)C1 A14838 [0,1,0,1,0,0|2,0,0]=4 478 B9R1.53 N[C@H]1C[C@H](CC(=O)O)C1 A11676 [0,1,0,1,0,0|2,0,0]=4 479 B9R1.66 CC1(C)CC(=O)CCN1 D46484 [0,1,0,1,0,0|2,0,0]=4 480 B9R1.66 CC1(C)CC(=O)CCO1 D17314 [0,1,0,1,0,0|2,0,0]=4 481 B9R1.66 CC1(C)CCCC(=O)C1 D22905 [0,1,0,1,0,0|1,0,0]=3 482 B9R1.66 CC1(C)C[C@@H](N)CCO1 D22688 [0,1,0,1,0,0|1,0,1]=4 483 B9R1.137 CC(=O)CC(=O)C1CC1 C6252 [0,1,0,1,0,0|1,0,1]=4 484 B9R1.1 CCC1CCC(=O)CC1 E39441 [0,1,0,1,0,0|1,0,0]=3 485 B9R1.1 NC[C@H]1CCC(=O)NC1 A10714 [0,1,0,1,0,0|2,0,0]=4 486 B9R1.1 O=C1CC[C@H](CO)CN1 H38263 [0,1,0,1,0,0|2,0,0]=4 487 B9R1.1 O=C1CO[C@@H](CO)CN1 H26506 [0,1,0,1,0,0|2,0,0]=4 488 B9R1.1 O=C1CO[C@@H](CO)CN1 H41263 [0,1,0,1,0,0|2,0,0]=4 489 B9R1.1 O=C1CO[C@H](CO)CN1 H25634 [0,1,0,1,0,0|2,0,0]=4 490 B9R1.2 CCN1CCNC(=O)C1 E43465 [0,1,0,1,0,0|1,0,0]=3 491 B9R1.2 N#C[C@H]1CCCC(=O)C1 X46385 [0,1,0,1,0,0|1,0,1]=4 492 B9R1.2 NC[C@H]1CCCC(=O)N1 A37687 [0,1,0,1,0,0|2,0,0]=4 493 B9R1.2 NC[C@H]1CCNC(=O)C1 A7242 [0,1,0,1,0,0|1,0,0]=3 494 B9R1.2 O=C1COC[C@H](CO)N1 H37541 [0,1,0,1,0,0|2,0,0]=4 495 B9R1.2 O=C1C[C@@H](CO)CCN1 X0577 [0,1,0,1,0,0|1,0,0]=3 496 B9R1.5 CN1CCCCCC1=O M39292 [0,1,0,1,0,0|1,0,0]=3 497 B9R1.5 CN1CCCNCC1=O M1178 [0,1,0,1,0,0|2,0,0]=4 498 B9R1.5 CN1CCNCCC1=O M41536 [0,1,0,1,0,0|2,0,0]=4 499 B9R1.5 CN1CCNCCC1=O M43468 [0,1,0,1,0,0|2,0,0]=4 500 B9R1.5 N[C@@H]1CCCCNC1=O A43466 [0,1,0,1,0,0|1,0,0]=3 501 B9R1.5 N[C@H]1CCCCNC1=O A24830 [0,1,0,1,0,0|1,0,0]=3 502 B9R1.5 N[C@H]1CCCCNC1=O A43463 [0,1,0,1,0,0|1,0,0]=3 503 B9R1.11 CNC(=O)[C@@H]1CCCN1 M43471 [0,1,0,1,0,0|2,0,0]=4 504 B9R1.11 COC(=O)C1=CCCC1 M43720 [0,1,0,1,0,0|1,0,1]=4 505 B9R1.11 COC(=O)C1CCCC1 M43805 [0,1,0,1,0,0|1,0,0]=3 506 B9R1.11 COC(=O)[C@@H]1CCCN1 M38491 [0,1,0,1,0,0|2,0,0]=4 507 B9R1.11 COC(=O)[C@@H]1CCNC1 M20211 [0,1,0,1,0,0|2,0,0]=4 508 B9R1.11 COC(=O)[C@@H]1CCNC1 M25987 [0,1,0,1,0,0|2,0,0]=4 509 B9R1.11 COC(=O)[C@@H]1CCOC1 M10323 [0,1,0,1,0,0|2,0,0]=4 510 B9R1.11 COC(=O)[C@H]1CCNC1 E6960 [0,1,0,1,0,0|2,0,0]=4 511 B9R1.11 COC(=O)[C@H]1CCNC1 M10274 [0,1,0,1,0,0|2,0,0]=4 512 B9R1.11 COC(=O)[C@H]1CCNC1 M20204 [0,1,0,1,0,0|2,0,0]=4 513 B9R1.11 COC(=O)[C@H]1CCNC1 P12312 [0,1,0,1,0,0|2,0,0]=4 514 B9R1.11 COC(=O)[C@H]1CCOC1 M12450 [0,1,0,1,0,0|2,0,0]=4 515 B9R1.11 COC(=O)[C@H]1CCOC1 M7564 [0,1,0,1,0,0|2,0,0]=4 516 B9R1.49 CN1CCNC(=O)CC1 M10175 [0,1,0,1,0,0|2,0,0]=4 517 B9R1.49 N[C@H]1CCCC(=O)NC1 A43464 [0,1,0,1,0,0|1,0,0]=3 518 B9R1.49 O=C1CCC[C@H](O)CN1 H41499 [0,1,0,1,0,0|1,0,0]=3 519 B9R1.50 O=C1CCCCCCC1 C67881 [0,1,0,1,0,0|1,0,0]=3 520 B9R1.50 O=C1CCCCCCN1 A69570 [0,1,0,1,0,0|1,0,0]=3 521 B9R1.79 COC(=O)CC1CNC1 M0406 [0,1,0,1,0,0|2,0,0]=4 522 B9R1.79 COC(=O)CC1CNC1 M37284 [0,1,0,1,0,0|2,0,0]=4 523 B9R1.79 COC(=O)CC1COC1 M0309 [0,1,0,1,0,0|2,0,0]=4 524 B9R1.81 COC(=O)C1CNC1C M21134 [0,1,0,1,0,0|2,0,0]=4 525 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N M10731 [0,1,0,1,0,0|2,0,0]=4 526 B9R1.88 COC(=O)C1CC1CN M27272 [0,1,0,1,0,0|2,0,0]=4 527 B9R1.88 COC(=O)[C@H]1C[C@@H]1CO M59717 [0,1,0,1,0,0|2,0,0]=4 528 B9R1.89 COC1=NCCCCC1 M43840 [0,1,0,1,0,0|1,0,1]=4 529 B9R1.6 CC(=O)C1CCCCC1 C25535 [0,1,0,1,0,0|1,0,0]=3 530 B9R1.6 CC(=O)C1CCNCC1 P69462 [0,1,0,1,0,0|1,0,0]=3 531 B9R1.6 CC(=O)C1CCOCC1 T11195 [0,1,0,1,0,0|1,0,0]=3 532 B9R1.6 CC(=O)N1CCNCC1 A67843 [0,1,0,1,0,0|1,0,0]=3 533 B9R1.6 NC(=O)C1CCNCC1 P10277 [0,1,0,1,0,0|2,0,0]=4 534 B9R1.6 NC(=O)C1CCNCC1 P43467 [0,1,0,1,0,0|2,0,0]=4 535 B9R1.6 NC(=O)[C@@H]1CCCNC1 P12324 [0,1,0,1,0,0|2,0,0]=4 536 B9R1.6 NC(=O)[C@@H]1CCCNC1 P7512 [0,1,0,1,0,0|2,0,0]=4 537 B9R1.6 NC(=O)[C@H]1CCCNC1 P12323 [0,1,0,1,0,0|2,0,0]=4 538 B9R1.6 NC(=O)[C@H]1CCCNC1 P7513 [0,1,0,1,0,0|2,0,0]=4 539 B9R1.6 O=C(Cl)C1CCOCC1 T3932 [0,1,0,1,0,0|2,0,0]=4 540 B9R1.6 O=C(O)C1=CCCCO1 D43311 [0,1,0,1,0,0|1,0,1]=4 541 B9R1.6 O=C(O)C1CCCCC1 C64950 [0,1,0,1,0,0|2,0,0]=4 542 B9R1.6 O=C(O)C1CCNCC1 P23933 [0,1,0,1,0,0|2,0,0]=4 543 B9R1.6 O=C(O)C1CCNCC1 P24453 [0,1,0,1,0,0|2,0,0]=4 544 B9R1.6 O=C(O)C1CCOCC1 T0117 [0,1,0,1,0,0|2,0,0]=4 545 B9R1.6 O=C(O)C1CCSCC1 T13091 [0,1,0,1,0,0|2,0,0]=4 546 B9R1.6 O=C(O)N1CCCCC1 P62582 [0,1,0,1,0,0|2,0,0]=4 547 B9R1.6 O=C(O)[C@@H]1CCCCN1 P43440 [0,1,0,1,0,0|2,0,0]=4 548 B9R1.6 O=C(O)[C@@H]1CCCCN1 P43443 [0,1,0,1,0,0|2,0,0]=4 549 B9R1.6 O=C(O)[C@@H]1CCCCO1 T31331 [0,1,0,1,0,0|1,0,0]=3 550 B9R1.6 O=C(O)[C@@H]1CCCNC1 P12310 [0,1,0,1,0,0|2,0,0]=4 551 B9R1.6 O=C(O)[C@@H]1CNCCO1 M41374 [0,1,0,1,0,0|2,0,0]=4 552 B9R1.6 O=C(O)[C@@H]1CNCCO1 M61070 [0,1,0,1,0,0|2,0,0]=4 553 B9R1.6 O=C(O)[C@@H]1COCCO1 D41234 [0,1,0,1,0,0|2,0,0]=4 554 B9R1.6 O=C(O)[C@H]1CCCCN1 P28251 [0,1,0,1,0,0|2,0,0]=4 555 B9R1.6 O=C(O)[C@H]1CCCNC1 P12311 [0,1,0,1,0,0|2,0,0]=4 556 B9R1.6 O=C(O)[C@H]1CCCNC1 P43444 [0,1,0,1,0,0|2,0,0]=4 557 B9R1.6 O=C(O)[C@H]1CCCOC1 T0697 [0,1,0,1,0,0|2,0,0]=4 558 B9R1.6 O=C(O)[C@H]1CCCSC1 T1163 [0,1,0,1,0,0|2,0,0]=4 559 B9R1.6 O=C(O)[C@H]1CNCCO1 M18388 [0,1,0,1,0,0|2,0,0]=4 560 B9R1.6 O=C(O)[C@H]1CNCCO1 M63934 [0,1,0,1,0,0|2,0,0]=4 561 B9R1.6 O=C(O)[C@H]1COCCO1 D41233 [0,1,0,1,0,0|2,0,0]=4 562 B9R1.24 CCN1CCOS1(=O)=O E7788 [0,1,0,1,0,0|2,0,0]=4 563 B9R1.96 CCC1CN[C@@H]1C(=O)O A30119 [0,1,0,1,0,0|2,0,0]=4 564 B9R1.96 CCN1CC[C@H]1C(=O)O E29784 [0,1,0,1,0,0|2,0,0]=4 565 B9R1.23 CN1C[C@@H](CN)CC1=O A10326 [0,1,0,1,0,0|2,0,0]=4 566 B9R1.35 CC(=O)N1CCC(=O)C1 A38370 [0,1,0,1,0,0|1,0,1]=4 567 B9R1.35 CC(=O)N1CC[C@@H](O)C1 A7835 [0,1,0,1,0,0|1,0,0]=3 568 B9R1.35 CC(=O)N1CC[C@H](N)C1 A14633 [0,1,0,1,0,0|1,0,0]=3 569 B9R1.35 CC(=O)N1CC[C@H](O)C1 H41507 [0,1,0,1,0,0|1,0,0]=3 570 B9R1.35 CC(C)[C@@H]1COC(=O)N1 P26884 [0,1,0,1,0,0|1,0,0]=3 571 B9R1.35 CC(C)[C@H]1COC(=O)N1 P41504 [0,1,0,1,0,0|1,0,0]=3 572 B9R1.35 C[C@@H]1CC[C@@H](C(=O)O)N1 M60259 [0,1,0,1,0,0|2,0,0]=4 573 B9R1.35 C[C@H]1CC[C@H](C(=O)O)N1 M60278 [0,1,0,1,0,0|2,0,0]=4 574 B9R1.35 NC1CCC(C(=O)O)C1 A11845 [0,1,0,1,0,0|2,0,0]=4 575 B9R1.35 NC1CCC(C(=O)O)C1 A15670 [0,1,0,1,0,0|2,0,0]=4 576 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 A15249 [0,1,0,1,0,0|2,0,0]=4 577 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 A20649 [0,1,0,1,0,0|2,0,0]=4 578 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 A15248 [0,1,0,1,0,0|2,0,0]=4 579 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 A43449 [0,1,0,1,0,0|2,0,0]=4 580 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 A25040 [0,1,0,1,0,0|2,0,0]=4 581 B9R1.35 N[C@H]1CC[C@H](C(=O)O)C1 A43450 [0,1,0,1,0,0|2,0,0]=4 582 B9R1.35 O=C(O)C1CCC(O)C1 H41473 [0,1,0,1,0,0|2,0,0]=4 583 B9R1.35 O=C1N[C@H](C(F)F)CO1 D59979 [0,1,0,1,0,0|2,0,0]=4 584 B9R1.69 CN1CC[C@H](N)CC1=O A0206 [0,1,0,1,0,0|2,0,0]=4 585 B9R1.69 CN1CC[C@H](N)CC1=O M7462 [0,1,0,1,0,0|2,0,0]=4 586 B9R1.110 CC(=O)N(C)C1CNC1 A1327 [0,1,0,1,0,0|2,0,0]=4 587 B9R1.110 N[C@@H](C(=O)O)C1CCC1 A12996 [0,1,0,1,0,0|2,0,0]=4 588 B9R1.110 N[C@H](C(=O)O)C1CCC1 A10555 [0,1,0,1,0,0|2,0,0]=4 589 B9R1.110 N[C@H](C(=O)O)C1CCC1 A12995 [0,1,0,1,0,0|2,0,0]=4 590 B9R1.112 N[C@@H](CC1CC1)C(=O)O A41508 [0,1,0,1,0,0|2,0,0]=4 591 B9R1.112 N[C@H](CC1CC1)C(=O)O C68587 [0,1,0,1,0,0|2,0,0]=4 592 B9R1.163 NC(=O)C1(N)CCCC1 A41537 [0,1,0,1,0,0|2,0,0]=4 593 B9R1.163 O=C(O)C1(F)CCCC1 F38406 [0,1,0,1,0,0|2,0,0]=4 594 B9R1.163 O=C(O)C1(O)CCCC1 H41472 [0,1,0,1,0,0|2,0,0]=4 595 B9R1.114 CS(=O)(=O)OC1COC1 X40260 [0,1,0,1,0,0|2,0,0]=4 596 B9R2.39 O=C1NC2CCC1C2 A64651 [0,0,0,2,0,0|2,0,0]=4 597 B9R2.39 O=C1OC2CCC1C2 X31814 [0,0,0,2,0,0|2,0,0]=4 598 B9R2.139 O=C1CC2(CC2)CO1 X23130 [0,0,0,2,0,0|0,0,0]=2 599 B9R2.8 O=C1CC2CC(C1)C2 B60206 [0,0,0,2,0,0|1,0,0]=3 600 B9R2.21 O=C1CC2CC2CN1 A59683 [0,0,0,2,0,0|1,0,0]=3 601 B9R2.109 O=C1CCCC2CC12 B13672 [0,0,0,2,0,0|1,0,0]=3 602 B9R2.109 O=C1CCCC2OC12 X43306 [0,0,0,2,0,0|2,0,0]=4 603 B9R2.41 O=C1CC(C2CC2)C1 C29950 [0,0,0,2,0,0|1,0,0]=3 604 B9R2.138 O=C1CC2(CCC2)C1 S10809 [0,0,0,2,0,0|1,0,0]=3 605 B9R2.138 O=C1CC2(CNC2)C1 A30076 [0,0,0,2,0,0|2,0,0]=4 606 B9R2.138 O=C1CC2(COC2)C1 X7169 [0,0,0,2,0,0|2,0,0]=4 607 B9R2.138 O=C1CC2(CSC2)C1 T11068 [0,0,0,2,0,0|2,0,0]=4 608 B9R2.143 O=C(O)[C@H]1CC12CC2 S21785 [0,0,0,2,0,0|2,0,0]=4