0 B6R0.1 C=CC[C@@H](N)CO A41325 [0,0,0,0,0,0|4,0,0]=4 1 B6R0.1 CCC[C@@H](Cl)CC C63946 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.1 CO[C@@H](C)CCO M68623 [0,0,0,0,0,0|0,1,2]=3 3 B5R0.1 C=CC[C@H](C)O P62507 [1,0,0,0,0,0|1,1,0]=3 4 B5R0.1 CC(C)CNN B40316 [1,0,0,0,0,0|2,0,0]=3 5 B5R0.1 CC(C)\C=N\O I2624 [1,0,0,0,0,0|1,0,2]=4 6 B5R0.1 CCC[C@@H](C)N P16023 [1,0,0,0,0,0|2,0,1]=4 7 B5R0.1 CCC[C@H](C)N P22363 [1,0,0,0,0,0|2,0,1]=4 8 B5R0.1 CN(C)CC=O D39943 [1,0,0,0,0,0|1,0,0]=2 9 B5R0.1 CN(C)CCBr B39953 [1,0,0,0,0,0|2,0,1]=4 10 B5R0.1 CN(C)NC=O D66358 [1,0,0,0,0,0|2,0,0]=3 11 B5R0.1 COC[C@@H](C)N M40311 [1,0,0,0,0,0|3,0,0]=4 12 B5R0.1 COC[C@@H](C)O M39959 [1,0,0,0,0,0|2,1,0]=4 13 B5R0.1 COC[C@H](C)O M61064 [1,0,0,0,0,0|2,1,0]=4 14 B5R0.1 C[C@@H](N)CCO A10772 [1,0,0,0,0,0|1,0,2]=4 15 B5R0.1 C[C@H](N)CCO A10771 [1,0,0,0,0,0|1,0,2]=4 16 B5R0.1 C[C@H](N)CCO A39964 [1,0,0,0,0,0|1,0,2]=4 17 B5R0.1 C[C@H](O)CCO B68917 [1,0,0,0,0,0|0,1,2]=4 18 B5R0.2 C=CCCCBr B41237 [1,0,0,0,0,0|3,0,0]=4 19 B5R0.2 C=CCCCCl C41238 [1,0,0,0,0,0|3,0,0]=4 20 B5R0.2 C=CCCCO P36921 [1,0,0,0,0,0|3,0,0]=4 21 B5R0.2 CCCCON B40310 [1,0,0,0,0,0|3,0,0]=4 22 B5R0.2 CNCCCCl C39954 [1,0,0,0,0,0|2,0,1]=4 23 B5R0.2 CNCCCO M36844 [1,0,0,0,0,0|1,0,2]=4 24 B5R0.2 CNCCOC M23409 [1,0,0,0,0,0|2,1,0]=4 25 B5R0.2 COCCC#N M39153 [1,0,0,0,0,0|1,1,1]=4 26 B5R0.2 COCCCBr B68335 [1,0,0,0,0,0|1,1,1]=4 27 B5R0.2 COCCCO M69411 [1,0,0,0,0,0|0,1,2]=4 28 B5R0.3 C=C[C@H](C)ON B40346 [1,0,0,0,0,0|1,1,1]=4 29 B5R0.3 CC(CBr)CBr D40238 [1,0,0,0,0,0|3,0,0]=4 30 B5R0.3 CC(CO)CO M60880 [1,0,0,0,0,0|2,0,1]=4 31 B5R0.3 CCC(N)CC P40440 [1,0,0,0,0,0|2,0,1]=4 32 B5R0.3 CC[C@@H](N)CO A39144 [1,0,0,0,0,0|2,0,1]=4 33 B5R0.3 CC[C@@H](O)CO B39955 [1,0,0,0,0,0|2,0,1]=4 34 B5R0.3 CC[C@H](N)CO A39145 [1,0,0,0,0,0|2,0,1]=4 35 B5R0.3 CC[C@H](O)CO B39956 [1,0,0,0,0,0|2,0,1]=4 36 B5R0.3 CO[C@@H](C)CN M40313 [1,0,0,0,0,0|1,1,0]=3 37 B5R0.3 CO[C@@H](C)CO M68380 [1,0,0,0,0,0|0,1,1]=3 38 B5R0.3 CO[C@H](C)CN M40312 [1,0,0,0,0,0|1,1,0]=3 39 B5R0.3 CO[C@H](C)CO M68381 [1,0,0,0,0,0|0,1,1]=3 40 B5R0.3 O=CC(Br)C=O B2627 [1,0,0,0,0,0|3,0,0]=4 41 B5R0.3 O=C[C@H](O)CO D39873 [1,0,0,0,0,0|3,0,0]=4 42 B7R0.2 CCC(=O)CC(C)=O H69646 [0,1,0,0,0,0|2,0,1]=4 43 B7R0.2 CC[C@H](C)CC(=O)O M41552 [0,1,0,0,0,0|1,0,0]=2 44 B7R0.2 CC[C@H](N)CC(=O)O A69512 [0,1,0,0,0,0|2,0,0]=3 45 B7R0.2 COC(=O)CC(=O)Cl M40174 [0,1,0,0,0,0|1,1,1]=4 46 B7R0.2 COC(=O)CC(=O)O M37882 [0,1,0,0,0,0|1,1,1]=4 47 B7R0.2 COC(=O)CC(=O)[O-] P67199 [0,1,0,0,0,0|1,1,1]=4 48 B7R0.2 NC[C@@H](O)CC(=O)O A32052 [0,1,0,0,0,0|3,0,0]=4 49 B7R0.2 NC[C@H](O)CC(=O)O A67723 [0,1,0,0,0,0|3,0,0]=4 50 B7R0.2 N[C@@H](CO)CC(=O)O A38154 [0,1,0,0,0,0|3,0,0]=4 51 B7R0.3 COC(=O)CNC=O M40228 [0,1,0,0,0,0|1,1,1]=4 52 B7R0.10 CC[C@H](C)[C@H](N)CO K68906 [0,1,0,0,0,0|1,0,2]=4 53 B7R0.12 COC(CCBr)OC B40419 [0,1,0,0,0,0|1,1,1]=4 54 B7R0.12 COCC(OC)OC T40436 [0,1,0,0,0,0|2,1,0]=4 55 B7R1.1 CC[C@@H]1CCNC1 E22541 [0,0,0,1,0,0|2,0,1]=4 56 B7R1.1 CC[C@H]1CCNC1 E22542 [0,0,0,1,0,0|2,0,1]=4 57 B7R1.1 CN[C@@H]1CCOC1 M15031 [0,0,0,1,0,0|1,0,2]=4 58 B7R1.1 CN[C@H]1CCOC1 M1156 [0,0,0,1,0,0|1,0,2]=4 59 B7R1.1 CO[C@@H]1CCNC1 M0200 [0,0,0,1,0,0|1,1,1]=4 60 B7R1.1 CO[C@@H]1CCNC1 M12251 [0,0,0,1,0,0|1,1,1]=4 61 B7R1.1 CO[C@H]1CCNC1 M1159 [0,0,0,1,0,0|1,1,1]=4 62 B7R1.1 CO[C@H]1CCNC1 M7459 [0,0,0,1,0,0|1,1,1]=4 63 B7R1.1 OCC1CC=CC1 C11867 [0,0,0,1,0,0|3,0,0]=4 64 B7R1.2 CC1=CC(=O)CC1 M22783 [0,0,0,1,0,0|1,0,2]=4 65 B7R1.2 CC1=CC(=O)CO1 M41117 [0,0,0,1,0,0|0,1,2]=4 66 B7R1.2 CC1=NNC(=O)C1 M68628 [0,0,0,1,0,0|2,0,1]=4 67 B7R1.2 CN1CCC(=O)C1 M5444 [0,0,0,1,0,0|2,0,0]=3 68 B7R1.2 C[C@@H]1CNC(=O)C1 P22910 [0,0,0,1,0,0|2,0,0]=3 69 B7R1.2 C[C@@H]1COC(=O)N1 M32194 [0,0,0,1,0,0|3,0,0]=4 70 B7R1.2 C[C@@H]1C[C@H](O)CN1 M29502 [0,0,0,1,0,0|1,0,2]=4 71 B7R1.2 C[C@H]1CCC(=O)N1 M61805 [0,0,0,1,0,0|2,0,0]=3 72 B7R1.2 C[C@H]1COC(=O)N1 M40226 [0,0,0,1,0,0|3,0,0]=4 73 B7R1.2 C[C@H]1C[C@H](O)CN1 M29501 [0,0,0,1,0,0|1,0,2]=4 74 B7R1.2 NC1=NC(=O)CS1 A2444 [0,0,0,1,0,0|2,0,1]=4 75 B7R1.2 NC1=NC(=O)CS1 A67692 [0,0,0,1,0,0|2,0,1]=4 76 B7R1.2 N[C@@H]1CNC(=O)C1 A11620 [0,0,0,1,0,0|3,0,0]=4 77 B7R1.2 N[C@@H]1CNC(=O)C1 A20556 [0,0,0,1,0,0|3,0,0]=4 78 B7R1.2 N[C@@H]1CNC(=O)C1 A24834 [0,0,0,1,0,0|3,0,0]=4 79 B7R1.2 N[C@@H]1CNC(=O)C1 P21713 [0,0,0,1,0,0|3,0,0]=4 80 B7R1.2 N[C@@H]1COC(=O)C1 A40337 [0,0,0,1,0,0|3,0,0]=4 81 B7R1.2 N[C@H]1CNC(=O)C1 A27147 [0,0,0,1,0,0|3,0,0]=4 82 B7R1.2 N[C@H]1COC(=O)C1 A37707 [0,0,0,1,0,0|3,0,0]=4 83 B7R1.2 O=C1CCC(=O)C1 C13761 [0,0,0,1,0,0|2,0,1]=4 84 B7R1.2 O=C1CC[C@H](O)C1 H22750 [0,0,0,1,0,0|2,0,0]=3 85 B7R1.2 O=C1CSC(=O)N1 T69276 [0,0,0,1,0,0|2,0,1]=4 86 B7R1.2 O=C1CSC(=S)N1 T68348 [0,0,0,1,0,0|2,0,1]=4 87 B7R1.2 O=C1C[C@@H](O)CN1 H22487 [0,0,0,1,0,0|3,0,0]=4 88 B7R1.2 O=C1C[C@@H](S)CN1 M12154 [0,0,0,1,0,0|3,0,0]=4 89 B7R1.2 O=C1C[C@H](O)CN1 H15629 [0,0,0,1,0,0|3,0,0]=4 90 B7R1.2 O=C1C[C@H](O)CN1 H38056 [0,0,0,1,0,0|3,0,0]=4 91 B7R1.3 CC1SCCCS1 M63108 [0,0,0,1,0,0|2,0,1]=4 92 B7R1.3 C[C@@H]1CCCNC1 M43474 [0,0,0,1,0,0|3,0,0]=4 93 B7R1.3 C[C@@H]1CNCCN1 M10716 [0,0,0,1,0,0|3,0,0]=4 94 B7R1.3 C[C@@H]1CNCCO1 M15403 [0,0,0,1,0,0|2,1,0]=4 95 B7R1.3 C[C@@H]1CNCCO1 M28760 [0,0,0,1,0,0|2,1,0]=4 96 B7R1.3 C[C@@H]1COCCN1 M26868 [0,0,0,1,0,0|3,0,0]=4 97 B7R1.3 C[C@@H]1COCCN1 M9009 [0,0,0,1,0,0|3,0,0]=4 98 B7R1.3 C[C@H]1CCCCN1 M43475 [0,0,0,1,0,0|2,0,1]=4 99 B7R1.3 C[C@H]1CNCCN1 M10717 [0,0,0,1,0,0|3,0,0]=4 100 B7R1.3 C[C@H]1CNCCO1 M15401 [0,0,0,1,0,0|2,1,0]=4 101 B7R1.3 C[C@H]1CNCCO1 M15402 [0,0,0,1,0,0|2,1,0]=4 102 B7R1.3 C[C@H]1CNCCO1 M29509 [0,0,0,1,0,0|2,1,0]=4 103 B7R1.3 C[C@H]1CNCCO1 M41323 [0,0,0,1,0,0|2,1,0]=4 104 B7R1.3 C[C@H]1COCCN1 M23631 [0,0,0,1,0,0|3,0,0]=4 105 B7R1.3 C[C@H]1COCCN1 M41324 [0,0,0,1,0,0|3,0,0]=4 106 B7R1.3 C[C@H]1COCCN1 M8924 [0,0,0,1,0,0|3,0,0]=4 107 B7R1.6 C=CCC1CNC1 P20750 [0,0,0,1,0,0|3,0,0]=4 108 B7R1.6 COC[C@@H]1CCN1 M11645 [0,0,0,1,0,0|3,0,0]=4 109 B7R1.6 COC[C@@H]1CCN1 M20218 [0,0,0,1,0,0|3,0,0]=4 110 B7R1.6 COC[C@H]1CCN1 M11646 [0,0,0,1,0,0|3,0,0]=4 111 B7R1.6 COC[C@H]1CCN1 M14791 [0,0,0,1,0,0|3,0,0]=4 112 B7R1.6 NCCC1CCC1 C15341 [0,0,0,1,0,0|2,0,1]=4 113 B7R1.6 NNCC1CCC1 C17979 [0,0,0,1,0,0|3,0,0]=4 114 B7R1.6 OCC[C@H]1CCO1 X59677 [0,0,0,1,0,0|0,1,2]=4 115 B7R1.10 C=C1CC(C#N)C1 M11332 [0,0,0,1,0,0|3,0,0]=4 116 B7R1.10 CNC1CC(O)C1 M10596 [0,0,0,1,0,0|1,0,2]=4 117 B7R1.10 CNC1CN(C)C1 D11649 [0,0,0,1,0,0|3,0,0]=4 118 B7R1.10 CNC1CN(C)C1 D1346 [0,0,0,1,0,0|3,0,0]=4 119 B7R1.10 CN[C@H]1C[C@@H](O)C1 M27665 [0,0,0,1,0,0|1,0,2]=4 120 B7R1.10 CN[C@H]1C[C@H](O)C1 M14921 [0,0,0,1,0,0|1,0,2]=4 121 B7R1.10 CN[C@H]1C[C@H](O)C1 M15745 [0,0,0,1,0,0|1,0,2]=4 122 B7R1.10 COC1CC(N)C1 M0320 [0,0,0,1,0,0|1,1,1]=4 123 B7R1.10 CO[C@H]1C[C@@H](N)C1 SB7404 [0,0,0,1,0,0|1,1,1]=4 124 B7R1.10 CO[C@H]1C[C@H](N)C1 SB7405 [0,0,0,1,0,0|1,1,1]=4 125 B7R1.10 N#CC1CC(=O)C1 X10543 [0,0,0,1,0,0|2,0,0]=3 126 B7R1.10 NCC1CC(=O)C1 SB7355 [0,0,0,1,0,0|2,0,0]=3 127 B7R1.10 O=C1CC(CBr)C1 B11904 [0,0,0,1,0,0|2,0,0]=3 128 B7R1.10 O=C1CC(CO)C1 H0725 [0,0,0,1,0,0|2,0,0]=3 129 B7R1.21 CC1(CCO)CC1 M22121 [0,0,0,1,0,0|1,0,2]=4 130 B7R1.25 CNC1(C)COC1 D31259 [0,0,0,1,0,0|3,0,0]=4 131 B7R1.25 CNC1(C)COC1 D8492 [0,0,0,1,0,0|3,0,0]=4 132 B7R1.25 COC1(C)CNC1 M0268 [0,0,0,1,0,0|2,1,0]=4 133 B4R0.1 C=NN(C)C D66909 [2,0,0,0,0,0|2,0,0]=4 134 B4R0.1 CC(C)=CBr B2881 [2,0,0,0,0,0|1,0,1]=4 135 B4R0.1 CC(C)NN P67395 [2,0,0,0,0,0|2,0,0]=4 136 B4R0.1 CC(C)NO P39934 [2,0,0,0,0,0|1,0,1]=4 137 B4R0.1 CC(C)ON P39935 [2,0,0,0,0,0|1,1,0]=4 138 B4R0.1 CC[C@H](C)N B62608 [2,0,0,0,0,0|1,0,1]=4 139 B4R0.1 CNN(C)C T66359 [2,0,0,0,0,0|2,0,0]=4 140 B4R0.1 C[C@@H](Cl)CO C39879 [2,0,0,0,0,0|1,0,1]=4 141 B4R0.1 C[C@@H](N)CN D39937 [2,0,0,0,0,0|2,0,0]=4 142 B4R0.1 C[C@@H](N)CO A13415 [2,0,0,0,0,0|1,0,1]=4 143 B4R0.1 C[C@@H](O)CCl C67728 [2,0,0,0,0,0|1,1,0]=4 144 B4R0.1 C[C@@H](O)CN A67482 [2,0,0,0,0,0|1,1,0]=4 145 B4R0.1 C[C@H](Br)CN B39885 [2,0,0,0,0,0|2,0,0]=4 146 B4R0.1 C[C@H](Cl)CO C39880 [2,0,0,0,0,0|1,0,1]=4 147 B4R0.1 C[C@H](N)CF F62811 [2,0,0,0,0,0|2,0,0]=4 148 B4R0.1 C[C@H](N)CN P39936 [2,0,0,0,0,0|2,0,0]=4 149 B4R0.1 C[C@H](N)CO A13416 [2,0,0,0,0,0|1,0,1]=4 150 B4R0.1 C[C@H](N)CO A69136 [2,0,0,0,0,0|1,0,1]=4 151 B4R0.1 C[C@H](O)CN A69178 [2,0,0,0,0,0|1,1,0]=4 152 B4R0.1 C[C@H](O)CO P60705 [2,0,0,0,0,0|0,1,1]=4 153 B4R0.2 C=CCCN B21913 [2,0,0,0,0,0|2,0,0]=4 154 B4R0.2 C=CCCO B40252 [2,0,0,0,0,0|1,1,0]=4 155 B4R0.2 CCCNN P39906 [2,0,0,0,0,0|2,0,0]=4 156 B4R0.2 CNCCBr B38473 [2,0,0,0,0,0|2,0,0]=4 157 B4R0.2 CNCCCl C39886 [2,0,0,0,0,0|2,0,0]=4 158 B4R0.2 COCCBr B39138 [2,0,0,0,0,0|1,1,0]=4 159 B4R0.2 COCCI K39881 [2,0,0,0,0,0|1,1,0]=4 160 B4R0.2 CSCCN M62136 [2,0,0,0,0,0|1,0,0]=3 161 B4R0.2 N#CCCS M39860 [2,0,0,0,0,0|1,0,1]=4 162 B6R0.2 CC(=O)NC(C)C P40402 [1,1,0,0,0,0|1,0,0]=3 163 B6R0.2 CC(=O)O[C@H](C)Br B40231 [1,1,0,0,0,0|2,0,0]=4 164 B6R0.2 CC(C)CB(O)O M4460 [1,1,0,0,0,0|1,0,1]=4 165 B6R0.2 CC(C)C[C@H](C)N M43511 [1,1,0,0,0,0|1,0,1]=4 166 B6R0.2 CN(C)CC(=O)Cl D40251 [1,1,0,0,0,0|1,0,0]=3 167 B6R0.2 CN(C)CC(N)=S D69472 [1,1,0,0,0,0|1,1,0]=4 168 B6R0.2 C[C@@H](N)CC(=O)O A37837 [1,1,0,0,0,0|1,0,0]=3 169 B6R0.2 C[C@@H](N)CC(=O)O A40348 [1,1,0,0,0,0|1,0,0]=3 170 B6R0.2 C[C@@H](O)CC(=O)[O-] S37350 [1,1,0,0,0,0|0,1,0]=3 171 B6R0.2 C[C@H](N)CC(=O)O A40265 [1,1,0,0,0,0|1,0,0]=3 172 B6R0.2 C[C@H](O)CC(=O)O H38871 [1,1,0,0,0,0|0,1,0]=3 173 B6R0.2 C[C@H](O)CC(=O)[O-] S40298 [1,1,0,0,0,0|0,1,0]=3 174 B6R0.3 CC(C)[C@@H](N)CO V15808 [1,1,0,0,0,0|0,0,2]=4 175 B6R0.3 CC(C)[C@H](N)CO V40442 [1,1,0,0,0,0|0,0,2]=4 176 B6R0.4 CC(C)CCCO M67872 [1,1,0,0,0,0|0,0,2]=4 177 B6R0.4 CC(C)NCCCl C40431 [1,1,0,0,0,0|1,0,1]=4 178 B6R0.4 CC(C)OCCBr B69154 [1,1,0,0,0,0|1,0,1]=4 179 B6R0.4 CN(C)\C=C\C=O D36904 [1,1,0,0,0,0|1,0,1]=4 180 B6R0.5 C=CCC(C)(C)O M8263 [1,1,0,0,0,0|1,0,0]=3 181 B6R0.5 CC(C)(C)CCBr B41571 [1,1,0,0,0,0|1,0,1]=4 182 B6R0.5 CC(C)(F)CCN F62077 [1,1,0,0,0,0|1,0,1]=4 183 B6R0.5 CC(C)(N)CCN M37075 [1,1,0,0,0,0|1,0,1]=4 184 B6R0.5 CC(C)(N)CCO A40444 [1,1,0,0,0,0|0,0,2]=4 185 B6R0.5 CC(C)(O)CCN A61563 [1,1,0,0,0,0|1,0,1]=4 186 B6R0.5 CNCC(C)(C)O M40445 [1,1,0,0,0,0|2,0,0]=4 187 B6R0.5 COCC(C)(C)O M40434 [1,1,0,0,0,0|2,0,0]=4 188 B6R0.6 C=CCCCCBr B9212 [1,1,0,0,0,0|2,0,0]=4 189 B6R0.6 C=CCCCCO H41549 [1,1,0,0,0,0|2,0,0]=4 190 B6R0.6 C=CCCCC[Mg+] H5025 [1,1,0,0,0,0|2,0,0]=4 191 B6R0.6 O=CCCCCCl C41277 [1,1,0,0,0,0|1,0,0]=3 192 B6R0.6 O=CCCCCO H32202 [1,1,0,0,0,0|1,0,0]=3 193 B6R0.8 CNC(C)(C)CO M40446 [1,1,0,0,0,0|1,0,1]=4 194 B6R0.8 COC(C)(C)CN M6043 [1,1,0,0,0,0|1,1,0]=4 195 B6R0.9 CCC(CC)C[Mg+] E31704 [1,1,0,0,0,0|1,0,1]=4 196 B6R0.9 CCN(C=O)CC D68184 [1,1,0,0,0,0|2,0,0]=4 197 B6R0.9 COC(C=O)OC D38564 [1,1,0,0,0,0|0,1,0]=3 198 B6R0.9 COC(CBr)OC B25077 [1,1,0,0,0,0|1,1,0]=4 199 B6R0.9 COC(CN)OC D39146 [1,1,0,0,0,0|1,1,0]=4 200 B8R0.2 CO[C@@H](C)[C@@H](N)C(=O)O A61564 [0,2,0,0,0,0|0,1,0]=3 201 B8R0.2 CO[C@H](C)[C@H](N)C(=O)O A68038 [0,2,0,0,0,0|0,1,0]=3 202 B8R0.5 CCC[C@H](N)CC(=O)O A43488 [0,2,0,0,0,0|2,0,0]=4 203 B8R0.16 CCN(CC)CC(=O)[O-] S60805 [0,2,0,0,0,0|2,0,0]=4 204 B8R0.16 COC(CC(C)=O)OC D39203 [0,2,0,0,0,0|0,1,0]=3 205 B8R0.19 CC[C@H](N)CC(=O)OC M43495 [0,2,0,0,0,0|2,0,0]=4 206 B8R0.23 CC(=O)C[C@H](C)C(=O)O M14719 [0,2,0,0,0,0|2,0,0]=4 207 B8R0.23 CC(C)[C@@H](N)CC(=O)O A67729 [0,2,0,0,0,0|2,0,0]=4 208 B8R0.23 CC(C)[C@H](N)CC(=O)O A38977 [0,2,0,0,0,0|2,0,0]=4 209 B8R0.23 CC(C)[C@H](N)CC(=O)O A43501 [0,2,0,0,0,0|2,0,0]=4 210 B8R0.23 C[C@@H](CC(=O)O)C(=O)O M41232 [0,2,0,0,0,0|2,0,0]=4 211 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O A41340 [0,2,0,0,0,0|2,0,0]=4 212 B8R0.34 CC(C)(CN)CC(=O)O A60787 [0,2,0,0,0,0|2,0,0]=4 213 B8R0.34 CC(C)(CN)CC(=O)O A67050 [0,2,0,0,0,0|2,0,0]=4 214 B6R1.2 C[C@@H]1CCNC1 M22540 [1,0,0,1,0,0|1,0,1]=4 215 B6R1.2 C[C@H]1CCNC1 M22012 [1,0,0,1,0,0|1,0,1]=4 216 B6R1.2 C[C@H]1CCNC1 M69520 [1,0,0,1,0,0|1,0,1]=4 217 B6R1.2 NC1CC=CC1 A13279 [1,0,0,1,0,0|2,0,0]=4 218 B6R1.2 OC1CC=CC1 C67522 [1,0,0,1,0,0|1,1,0]=4 219 B6R1.3 CNCC1CC1 C25333 [1,0,0,1,0,0|2,0,0]=4 220 B6R1.3 ICCC1CC1 I23113 [1,0,0,1,0,0|1,0,1]=4 221 B6R1.3 NCCC1CC1 C7864 [1,0,0,1,0,0|1,0,1]=4 222 B6R1.3 NNCC1CC1 C25488 [1,0,0,1,0,0|2,0,0]=4 223 B6R1.3 NOCC1CC1 C36851 [1,0,0,1,0,0|2,0,0]=4 224 B6R1.3 O=CNC1CC1 C65862 [1,0,0,1,0,0|1,0,0]=3 225 B6R1.3 OCCC1CC1 C7861 [1,0,0,1,0,0|0,0,2]=4 226 B6R1.5 CC1CC(=O)C1 M17286 [1,0,0,1,0,0|0,0,0]=2 227 B6R1.5 CC1CC(N)C1 M41317 [1,0,0,1,0,0|1,0,1]=4 228 B6R1.5 NC1CC(=O)C1 A0660 [1,0,0,1,0,0|1,0,0]=3 229 B6R1.5 O=C1CC(Br)C1 B8012 [1,0,0,1,0,0|1,0,0]=3 230 B6R1.5 O=C1CC(F)C1 F13109 [1,0,0,1,0,0|1,0,0]=3 231 B6R1.5 O=C1CC(O)C1 H10121 [1,0,0,1,0,0|0,1,0]=3 232 B6R1.9 CC1(C)C[C@@H]1Br B60254 [1,0,0,1,0,0|1,0,1]=4 233 B6R1.10 CC1(C)CNC1 D11454 [1,0,0,1,0,0|2,0,0]=4 234 B6R1.1 C1=CCNCC1 T0540 [1,0,0,1,0,0|2,0,0]=4 235 B6R1.1 C1=CCOCC1 D10810 [1,0,0,1,0,0|1,1,0]=4 236 B6R1.1 C1CSCCN1 T17901 [1,0,0,1,0,0|2,0,0]=4 237 B6R1.4 C[C@@H]1OCC1=O M61882 [1,0,0,1,0,0|2,0,0]=4 238 B6R1.4 C[C@H]1COC1=O M6342 [1,0,0,1,0,0|2,0,0]=4 239 B6R1.6 CSC1CNC1 M0303 [1,0,0,1,0,0|2,0,0]=4 240 B6R1.6 NCC1CSC1 T6978 [1,0,0,1,0,0|1,0,1]=4 241 B6R1.6 OCC1CSC1 T20107 [1,0,0,1,0,0|0,0,2]=4 242 B6R1.7 CC1(CN)CC1 M41319 [1,0,0,1,0,0|2,0,0]=4 243 B6R1.7 CC1(CO)CC1 M29792 [1,0,0,1,0,0|1,0,1]=4 244 B6R1.7 C[C@]1(CCl)CO1 C62803 [1,0,0,1,0,0|1,1,0]=4 245 B8R1.1 C=C[C@@H]1COC(=O)C1 V64256 [0,1,0,1,0,0|1,0,1]=4 246 B8R1.1 C=C[C@@H]1COC(=O)C1 V64417 [0,1,0,1,0,0|1,0,1]=4 247 B8R1.1 NC[C@@H]1CCC(=O)N1 A19938 [0,1,0,1,0,0|2,0,0]=4 248 B8R1.1 NC[C@@H]1CNC(=O)C1 A15732 [0,1,0,1,0,0|2,0,0]=4 249 B8R1.1 NC[C@@H]1CNC(=O)C1 A27672 [0,1,0,1,0,0|2,0,0]=4 250 B8R1.1 NC[C@@H]1CNC(=O)C1 A7263 [0,1,0,1,0,0|2,0,0]=4 251 B8R1.1 NC[C@H]1CCC(=O)N1 A64040 [0,1,0,1,0,0|2,0,0]=4 252 B8R1.1 NC[C@H]1CNC(=O)C1 A18478 [0,1,0,1,0,0|2,0,0]=4 253 B8R1.1 NC[C@H]1CNC(=O)C1 A27671 [0,1,0,1,0,0|2,0,0]=4 254 B8R1.1 O=C1CC[C@@H](CBr)N1 B41220 [0,1,0,1,0,0|2,0,0]=4 255 B8R1.1 O=C1CC[C@@H](CO)N1 H21817 [0,1,0,1,0,0|2,0,0]=4 256 B8R1.1 O=C1CC[C@@H](CO)O1 H41229 [0,1,0,1,0,0|2,0,0]=4 257 B8R1.1 O=C1CC[C@H](CBr)N1 B32099 [0,1,0,1,0,0|2,0,0]=4 258 B8R1.1 O=C1CC[C@H](CBr)O1 B66357 [0,1,0,1,0,0|2,0,0]=4 259 B8R1.1 O=C1CC[C@H](CI)N1 I2851 [0,1,0,1,0,0|2,0,0]=4 260 B8R1.1 O=C1CC[C@H](CI)O1 I2850 [0,1,0,1,0,0|2,0,0]=4 261 B8R1.1 O=C1CC[C@H](CO)N1 H24798 [0,1,0,1,0,0|2,0,0]=4 262 B8R1.1 O=C1CC[C@H](CO)N1 H7102 [0,1,0,1,0,0|2,0,0]=4 263 B8R1.1 O=C1CC[C@H](CO)O1 H5013 [0,1,0,1,0,0|2,0,0]=4 264 B8R1.1 O=C1C[C@H](CO)CN1 H14660 [0,1,0,1,0,0|2,0,0]=4 265 B8R1.4 CN1CCCC(=O)C1 M13651 [0,1,0,1,0,0|2,0,0]=4 266 B8R1.4 CN1CCNC(=O)C1 M6975 [0,1,0,1,0,0|2,0,0]=4 267 B8R1.4 CN1CCOC(=O)C1 M41260 [0,1,0,1,0,0|2,0,0]=4 268 B8R1.4 C[C@@H]1CC(=O)CCN1 M10735 [0,1,0,1,0,0|1,0,0]=3 269 B8R1.4 C[C@@H]1CC(=O)CCO1 M11329 [0,1,0,1,0,0|0,1,0]=3 270 B8R1.4 C[C@@H]1CNCC(=O)N1 M13313 [0,1,0,1,0,0|2,0,0]=4 271 B8R1.4 C[C@@H]1COCC(=O)N1 M17373 [0,1,0,1,0,0|1,1,0]=4 272 B8R1.4 C[C@H]1CC(=O)CCN1 M10734 [0,1,0,1,0,0|1,0,0]=3 273 B8R1.4 C[C@H]1CC(=O)CCN1 M19737 [0,1,0,1,0,0|1,0,0]=3 274 B8R1.4 C[C@H]1CC(=O)CCN1 M8156 [0,1,0,1,0,0|1,0,0]=3 275 B8R1.4 C[C@H]1CC(=O)CCO1 M11328 [0,1,0,1,0,0|0,1,0]=3 276 B8R1.4 C[C@H]1CC(=O)CCO1 M14197 [0,1,0,1,0,0|0,1,0]=3 277 B8R1.4 C[C@H]1CCCC(=O)N1 M23832 [0,1,0,1,0,0|2,0,0]=4 278 B8R1.4 C[C@H]1CCNC(=O)C1 M23793 [0,1,0,1,0,0|1,0,0]=3 279 B8R1.4 C[C@H]1CNCC(=O)N1 M11164 [0,1,0,1,0,0|2,0,0]=4 280 B8R1.4 N[C@H]1CCNC(=O)C1 A0054 [0,1,0,1,0,0|2,0,0]=4 281 B8R1.4 N[C@H]1CCNC(=O)C1 A37105 [0,1,0,1,0,0|2,0,0]=4 282 B8R1.4 O=C1CSCC(=O)C1 T15232 [0,1,0,1,0,0|1,0,1]=4 283 B8R1.4 O=C1C[C@@H](O)CCN1 H38902 [0,1,0,1,0,0|2,0,0]=4 284 B8R1.4 O=C1C[C@@H](O)CCN1 H41262 [0,1,0,1,0,0|2,0,0]=4 285 B8R1.18 CC1=CC(=O)C[C@@H]1C D43712 [0,1,0,1,0,0|1,0,0]=3 286 B8R1.18 CC1=NN(C)C(=O)C1 D39183 [0,1,0,1,0,0|1,0,1]=4 287 B8R1.18 CN1C[C@@H](N)CC1=O A14746 [0,1,0,1,0,0|2,0,0]=4 288 B8R1.18 C[C@H]1CC(=O)OC1=O M41122 [0,1,0,1,0,0|2,0,0]=4 289 B8R1.31 CC1NCC1C(=O)O M27890 [0,1,0,1,0,0|1,0,0]=3 290 B8R1.31 CN1CC[C@@H]1C(=O)O M22677 [0,1,0,1,0,0|2,0,0]=4 291 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O A30118 [0,1,0,1,0,0|2,0,0]=4 292 B8R1.31 N[C@@H]1CC[C@@H]1C(=O)O A13712 [0,1,0,1,0,0|2,0,0]=4 293 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O A13711 [0,1,0,1,0,0|2,0,0]=4 294 B8R1.31 N[C@H]1CC[C@@H]1C(=O)O A13334 [0,1,0,1,0,0|2,0,0]=4 295 B8R1.31 N[C@H]1CC[C@H]1C(=O)O A13518 [0,1,0,1,0,0|2,0,0]=4 296 B8R1.31 N[C@H]1CC[C@H]1C(=O)O A29882 [0,1,0,1,0,0|2,0,0]=4 297 B8R1.31 O=C(O)C1CCC1F F59749 [0,1,0,1,0,0|2,0,0]=4 298 B8R1.34 O=C(O)CC1CCC1 C24745 [0,1,0,1,0,0|1,0,0]=3 299 B8R1.34 O=C(O)CC1CNC1 A10213 [0,1,0,1,0,0|2,0,0]=4 300 B8R1.34 O=C(O)CC1COC1 X6649 [0,1,0,1,0,0|2,0,0]=4 301 B8R1.43 N#CC1CC1C(=O)O C24298 [0,1,0,1,0,0|2,0,0]=4 302 B8R1.43 N#C[C@@H]1C[C@H]1C(=O)O C23494 [0,1,0,1,0,0|2,0,0]=4 303 B8R1.43 N#C[C@H]1C[C@H]1C(=O)O C25179 [0,1,0,1,0,0|2,0,0]=4 304 B8R1.51 CC1(C)CCC(=O)N1 D38848 [0,1,0,1,0,0|2,0,0]=4 305 B8R1.51 CC1(C)CCC(=O)O1 D41465 [0,1,0,1,0,0|2,0,0]=4 306 B8R1.51 CC1(C)CNC(=O)C1 D6966 [0,1,0,1,0,0|2,0,0]=4 307 B8R1.62 CC1(CO)CC(=O)C1 H20258 [0,1,0,1,0,0|2,0,0]=4 308 B8R1.2 OC[C@@H]1CC=CCC1 C43800 [0,1,0,1,0,0|2,0,0]=4 309 B8R1.3 CC1CCC(=O)CC1 M39288 [0,1,0,1,0,0|1,0,0]=3 310 B8R1.3 CN1CCC(=O)CC1 M28326 [0,1,0,1,0,0|2,0,0]=4 311 B8R1.3 C[C@@H]1CNC(=O)CN1 M29571 [0,1,0,1,0,0|1,0,0]=3 312 B8R1.3 C[C@H]1CCC(=O)NC1 P23074 [0,1,0,1,0,0|1,0,0]=3 313 B8R1.3 C[C@H]1CNC(=O)CN1 M17917 [0,1,0,1,0,0|1,0,0]=3 314 B8R1.3 NC1CCC(=O)CC1 A38581 [0,1,0,1,0,0|2,0,0]=4 315 B8R1.3 N[C@H]1CCC(=O)NC1 A0587 [0,1,0,1,0,0|2,0,0]=4 316 B8R1.3 O=C1CCC(O)CC1 H18838 [0,1,0,1,0,0|2,0,0]=4 317 B8R1.3 O=C1CC[C@H](O)CN1 H22093 [0,1,0,1,0,0|2,0,0]=4 318 B8R1.23 O=C1CC(C(=O)O)C1 X1338 [0,1,0,1,0,0|2,0,0]=4 319 B8R2.18 O=C1CC2CC2C1 B43299 [0,0,0,2,0,0|1,0,0]=3 320 B8R2.53 O=C1CC2(CC2)C1 S60485 [0,0,0,2,0,0|1,0,0]=3