0 B5R0.2 C#CCCC=C T71785 [0,0,0,0,0,0|2,0,1]=3 1 B5R0.2 C#CCCC=O 89357 [0,0,0,0,0,0|1,0,1]=2 2 B5R0.2 C#CCCCI C78094 [0,0,0,0,0,0|2,0,2]=4 3 B5R0.2 C#CCCCN 72839 [0,0,0,0,0,0|2,0,2]=4 4 B5R0.2 C#CCOCC C90311 [0,0,0,0,0,0|3,0,1]=4 5 B5R0.2 C=CCCNC W16107 [0,0,0,0,0,0|2,0,0]=2 6 B5R0.2 CCCCON 31644 [0,0,0,0,0,0|3,0,0]=3 7 B5R0.2 CNOCCN D97505 [0,0,0,0,0,0|3,0,1]=4 8 B5R0.2 COCCCO D77912 [0,0,0,0,0,0|0,1,2]=3 9 B5R0.2 NCCCCCl F19552 [0,0,0,0,0,0|3,0,1]=4 10 B5R0.2 NNCCCO AB9423 [0,0,0,0,0,0|2,0,2]=4 11 B5R0.2 O=CCCCO 55817 [0,0,0,0,0,0|2,0,0]=2 12 B4R0.2 BrCCCBr D77913 [1,0,0,0,0,0|2,0,1]=4 13 B4R0.2 C#CCCCl C77663 [1,0,0,0,0,0|2,0,1]=4 14 B4R0.2 C#CCCI AC1965 [1,0,0,0,0,0|2,0,1]=4 15 B4R0.2 C#CCCN 31177 [1,0,0,0,0,0|2,0,1]=4 16 B4R0.2 C#CCCN 68194 [1,0,0,0,0,0|2,0,1]=4 17 B4R0.2 C=CCNN D79874 [1,0,0,0,0,0|2,0,1]=4 18 B4R0.2 C=C\C=C/C T71862 [1,0,0,0,0,0|1,0,2]=4 19 B4R0.2 CCCCN T70838 [1,0,0,0,0,0|1,0,1]=3 20 B4R0.2 CCONC AT14498 [1,0,0,0,0,0|2,0,1]=4 21 B4R0.2 COCCI A50601 [1,0,0,0,0,0|1,1,0]=3 22 B4R0.2 CSCCN D73275 [1,0,0,0,0,0|1,0,0]=2 23 B4R0.2 NCCCF 61303 [1,0,0,0,0,0|2,0,1]=4 24 B4R0.2 NCCCN T70045 [1,0,0,0,0,0|2,0,1]=4 25 B4R0.2 NCCCS A11074 [1,0,0,0,0,0|1,0,1]=3 26 B4R0.2 N\C=C\C=O W10858 [1,0,0,0,0,0|1,0,2]=4 27 B4R0.2 OCCCO D77845 [1,0,0,0,0,0|0,1,2]=4 28 B4R0.2 OCCCS D78398 [1,0,0,0,0,0|0,0,2]=3 29 B4R0.2 SCCCBr 77989 [1,0,0,0,0,0|1,0,1]=3 30 B6R0.1 C=CC[C@H](N)CO F16846 [0,1,0,0,0,0|3,0,0]=4 31 B6R0.1 CCC[C@@H](Br)CC D78429 [0,1,0,0,0,0|2,0,1]=4 32 B6R0.1 CCC[C@H](N)CO C13482 [0,1,0,0,0,0|1,0,2]=4 33 B6R0.1 CC[C@H](S)CCO D84734 [0,1,0,0,0,0|1,0,2]=4 34 B6R0.1 COC[C@@H](O)CN 94767 [0,1,0,0,0,0|1,1,1]=4 35 B6R0.4 C#CCNC(C)=O 78861 [0,1,0,0,0,0|2,0,1]=4 36 B6R0.4 C#CCOC(N)=O 79516 [0,1,0,0,0,0|2,0,1]=4 37 B6R0.4 C=C(C)CCCBr 71968 [0,1,0,0,0,0|2,0,1]=4 38 B6R0.4 C=CCCC(=O)Cl F16765 [0,1,0,0,0,0|1,0,1]=3 39 B6R0.4 CC(=O)CCC=O P17049 [0,1,0,0,0,0|1,0,0]=2 40 B6R0.4 CC(=O)CCCBr 25631 [0,1,0,0,0,0|2,0,0]=3 41 B6R0.4 CC(=O)OCCN W11955 [0,1,0,0,0,0|3,0,0]=4 42 B6R0.4 CC(C)CCC=O 31143 [0,1,0,0,0,0|1,0,0]=2 43 B6R0.4 CCOCC(=O)O D73862 [0,1,0,0,0,0|2,0,0]=3 44 B6R0.4 COC=CC(=O)O D97266 [0,1,0,0,0,0|0,1,2]=4 45 B6R0.4 C[C@H](Cl)CCCCl A11066 [0,1,0,0,0,0|2,0,1]=4 46 B6R0.4 NC(=O)OCCO A11395 [0,1,0,0,0,0|3,0,0]=4 47 B6R0.4 NCCCC(N)=O C72206 [0,1,0,0,0,0|2,0,0]=3 48 B6R0.4 O=C([O-])CNCO F20522 [0,1,0,0,0,0|3,0,0]=4 49 B6R0.6 C#CCCCCI C74272 [0,1,0,0,0,0|2,0,1]=4 50 B6R0.6 C#CCCCCN 79352 [0,1,0,0,0,0|2,0,1]=4 51 B6R0.6 C=CCNCCO W12833 [0,1,0,0,0,0|3,0,0]=4 52 B6R0.6 C=COCCON 32359 [0,1,0,0,0,0|2,1,0]=4 53 B6R0.6 CC#CCCCO W16152 [0,1,0,0,0,0|1,0,2]=4 54 B6R0.6 CCOCCCBr A11082 [0,1,0,0,0,0|1,1,1]=4 55 B6R0.6 CCOCCON W15834 [0,1,0,0,0,0|2,1,0]=4 56 B6R0.6 CNCCCCBr C74879 [0,1,0,0,0,0|2,0,1]=4 57 B6R0.6 CNCCCCN D80538 [0,1,0,0,0,0|2,0,1]=4 58 B6R0.6 N#CCCCCBr D77353 [0,1,0,0,0,0|2,0,1]=4 59 B6R0.6 NCCCCCBr 97997 [0,1,0,0,0,0|2,0,1]=4 60 B6R0.6 O=NCNCCO D93315 [0,1,0,0,0,0|3,0,0]=4 61 B6R0.6 OCCCCCO D77911 [0,1,0,0,0,0|1,0,2]=4 62 B6R1.1 C1CCNNC1 71659 [0,0,0,1,0,0|3,0,0]=4 63 B6R1.2 C=C1CCNC1 F13598 [0,0,0,1,0,0|2,0,0]=3 64 B6R1.2 C[C@H]1CCNC1 69327 [0,0,0,1,0,0|2,0,1]=4 65 B6R1.2 C[C@H]1CCSC1 70016 [0,0,0,1,0,0|1,0,1]=3 66 B6R1.2 Cl[C@H]1CCNC1 W15835 [0,0,0,1,0,0|2,0,1]=4 67 B6R1.2 Cl[C@H]1CCOC1 N12419 [0,0,0,1,0,0|1,1,1]=4 68 B6R1.2 F[C@H]1CCNC1 P10396 [0,0,0,1,0,0|2,0,1]=4 69 B6R1.2 F[C@H]1CCNC1 P10397 [0,0,0,1,0,0|2,0,1]=4 70 B6R1.2 IC1=COCC1 P19286 [0,0,0,1,0,0|1,1,1]=4 71 B6R1.2 I[C@H]1CCOC1 37310 [0,0,0,1,0,0|1,1,1]=4 72 B6R1.2 I[C@H]1CCOC1 37311 [0,0,0,1,0,0|1,1,1]=4 73 B6R1.2 NN1CCCC1 F13227 [0,0,0,1,0,0|3,0,0]=4 74 B6R1.2 NN1CCCC1 S12058 [0,0,0,1,0,0|3,0,0]=4 75 B6R1.2 N[C@H]1CCSC1 70834 [0,0,0,1,0,0|1,0,1]=3 76 B6R1.2 O=C1C=CCN1 AC1277 [0,0,0,1,0,0|2,0,1]=4 77 B6R1.2 O=C1CNCN1 25530 [0,0,0,1,0,0|2,0,0]=3 78 B6R1.2 O[C@H]1CCSC1 50208 [0,0,0,1,0,0|0,0,2]=3 79 B6R1.3 BrCCC1CC1 32177 [0,0,0,1,0,0|2,0,1]=4 80 B6R1.3 BrCC[C@H]1CO1 F20905 [0,0,0,1,0,0|1,1,1]=4 81 B6R1.3 C#CCC1CC1 70830 [0,0,0,1,0,0|2,0,1]=4 82 B6R1.3 CNCC1CC1 P11100 [0,0,0,1,0,0|2,0,1]=4 83 B6R1.3 ICCC1CC1 73383 [0,0,0,1,0,0|2,0,1]=4 84 B6R1.3 NNCC1CC1 P11241 [0,0,0,1,0,0|3,0,0]=4 85 B6R1.3 NOCC1CC1 59190 [0,0,0,1,0,0|3,0,0]=4 86 B6R1.3 O=CCC1CC1 P10743 [0,0,0,1,0,0|1,0,0]=2 87 B6R1.4 C[C@@H]1OCC1=O P16003 [0,0,0,1,0,0|2,0,0]=3 88 B6R1.4 C[C@H]1CCC1=O W18267 [0,0,0,1,0,0|1,0,0]=2 89 B6R1.4 C[C@H]1CNC1=O P20594 [0,0,0,1,0,0|2,0,0]=3 90 B6R1.4 O=C1CC[C@@H]1Br P18435 [0,0,0,1,0,0|2,0,0]=3 91 B6R1.6 CNC1CCC1 20929 [0,0,0,1,0,0|2,0,1]=4 92 B6R1.6 CSC1CNC1 37205 [0,0,0,1,0,0|2,0,0]=3 93 B6R1.6 FCC1CNC1 86811 [0,0,0,1,0,0|2,0,1]=4 94 B6R1.6 N#CC1CNC1 CS1269 [0,0,0,1,0,0|2,0,1]=4 95 B6R1.6 N#CC1COC1 81313 [0,0,0,1,0,0|1,1,1]=4 96 B6R1.6 NCC1CNC1 26899 [0,0,0,1,0,0|2,0,1]=4 97 B6R1.6 NNC1CCC1 AB1362 [0,0,0,1,0,0|3,0,0]=4 98 B6R1.6 NNC1CCC1 BL010353 [0,0,0,1,0,0|3,0,0]=4 99 B6R1.6 NNC1CNC1 BL010350 [0,0,0,1,0,0|3,0,0]=4 100 B6R1.6 NNC1COC1 BL010351 [0,0,0,1,0,0|2,1,0]=4 101 B6R1.6 NNC1CSC1 BL010352 [0,0,0,1,0,0|2,0,0]=3 102 B6R1.6 O=CC1COC1 84841 [0,0,0,1,0,0|0,1,0]=2 103 B6R1.6 OCC1CNC1 65945 [0,0,0,1,0,0|1,0,2]=4 104 B6R1.8 C[C@H]1C[C@@H]1CO 72702 [0,0,0,1,0,0|1,0,2]=4 105 B3R0.1 CCNN D79778 [2,0,0,0,0,0|2,0,0]=4 106 B3R0.1 CCON C13232 [2,0,0,0,0,0|1,1,0]=4 107 B3R0.1 C[Se][Se]C H10908 [2,0,0,0,0,0|1,1,0]=4 108 B3R0.1 ClCCI T71139 [2,0,0,0,0,0|2,0,0]=4 109 B3R0.1 NCCN A12036 [2,0,0,0,0,0|2,0,0]=4 110 B3R0.1 NCCN T72722 [2,0,0,0,0,0|2,0,0]=4 111 B5R0.1 C=CC[C@H](C)O 71459 [1,1,0,0,0,0|1,0,0]=3 112 B5R0.1 C=CC[C@H](C)O A12634 [1,1,0,0,0,0|1,0,0]=3 113 B5R0.1 CCC[C@H](C)N P14575 [1,1,0,0,0,0|1,0,1]=4 114 B5R0.1 CCC[C@H](C)N Y10887 [1,1,0,0,0,0|1,0,1]=4 115 B5R0.1 CCOC(N)=S A11227 [1,1,0,0,0,0|1,1,0]=4 116 B5R0.1 CN(C)CC=O D88083 [1,1,0,0,0,0|1,0,0]=3 117 B5R0.1 CN(C)CCO D93012 [1,1,0,0,0,0|1,0,1]=4 118 B5R0.1 CNCC(=O)[O-] F20742 [1,1,0,0,0,0|1,0,0]=3 119 B5R0.1 CNCC(F)F D86102 [1,1,0,0,0,0|2,0,0]=4 120 B5R0.1 CNC[C@H](C)O AC1157 [1,1,0,0,0,0|1,0,1]=4 121 B5R0.1 CNC[C@H](C)O N12528 [1,1,0,0,0,0|1,0,1]=4 122 B5R0.1 COC[C@H](C)Br 78860 [1,1,0,0,0,0|0,1,1]=4 123 B5R0.1 COC[C@H](C)N 25526 [1,1,0,0,0,0|0,1,1]=4 124 B5R0.1 COC[C@H](C)N D95458 [1,1,0,0,0,0|0,1,1]=4 125 B5R0.1 COC[C@H](C)N W17998 [1,1,0,0,0,0|0,1,1]=4 126 B5R0.1 C[C@H](N)CC#N 12486 [1,1,0,0,0,0|1,0,1]=4 127 B5R0.1 C[C@H](O)CC#N 87623 [1,1,0,0,0,0|1,0,1]=4 128 B5R0.1 C[C@H](O)CCN 83616 [1,1,0,0,0,0|1,0,1]=4 129 B5R0.1 C[C@H](O)CON O10313 [1,1,0,0,0,0|2,0,0]=4 130 B5R0.1 C[S+](C)CCCl 77752 [1,1,0,0,0,0|1,0,1]=4 131 B5R0.1 N#CCC(=O)[O-] D70707 [1,1,0,0,0,0|1,0,1]=4 132 B5R0.3 C=C[C@@H](N)CO 52208 [1,1,0,0,0,0|1,1,0]=4 133 B5R0.3 C=C[C@@H](N)CO 52209 [1,1,0,0,0,0|1,1,0]=4 134 B5R0.3 C=C[C@@H](N)CO 52211 [1,1,0,0,0,0|1,1,0]=4 135 B5R0.3 C=C[C@@H](O)CO 56500 [1,1,0,0,0,0|1,1,0]=4 136 B5R0.3 CC[C@H](C)CN 88665 [1,1,0,0,0,0|1,0,1]=4 137 B5R0.3 CC[C@H](N)C#N 98383 [1,1,0,0,0,0|1,0,1]=4 138 B5R0.3 CN[C@@H](C)CO AC8719 [1,1,0,0,0,0|1,0,1]=4 139 B5R0.3 CN[C@@H](C)CO C77593 [1,1,0,0,0,0|1,0,1]=4 140 B5R0.3 CN[C@@H](C)CO D80042 [1,1,0,0,0,0|1,0,1]=4 141 B5R0.3 CN[C@@H](C)CO D80344 [1,1,0,0,0,0|1,0,1]=4 142 B5R0.3 CN[C@@H](C)CO D82586 [1,1,0,0,0,0|1,0,1]=4 143 B5R0.3 CO[C@@H](C)CN 91001 [1,1,0,0,0,0|1,1,0]=4 144 B5R0.3 CO[C@@H](C)CO 91002 [1,1,0,0,0,0|0,1,1]=4 145 B7R0.2 C=C[C@@H](O)CC(C)C A12558 [0,2,0,0,0,0|2,0,0]=4 146 B7R0.2 CC[C@H](C)CC(=O)O 63986 [0,2,0,0,0,0|1,0,0]=3 147 B7R0.2 CC[C@H](C)CC(C)=O A11862 [0,2,0,0,0,0|1,0,0]=3 148 B7R0.2 CC[C@H](N)CC(=O)O 51922 [0,2,0,0,0,0|1,0,0]=3 149 B7R0.2 CC[C@H](N)CC(=O)O 52000 [0,2,0,0,0,0|1,0,0]=3 150 B7R0.2 CC[C@H](O)CC(=O)O C14017 [0,2,0,0,0,0|1,0,0]=3 151 B7R0.2 N[C@H](CO)CC(=O)O D95019 [0,2,0,0,0,0|2,0,0]=4 152 B7R0.2 N[C@H](CO)CC(=O)O F14029 [0,2,0,0,0,0|2,0,0]=4 153 B7R0.3 C#CCCC(=O)OC AT21755 [0,2,0,0,0,0|1,0,1]=4 154 B7R0.3 C=CC(=O)NCCC AB9941 [0,2,0,0,0,0|2,0,0]=4 155 B7R0.3 C=CCCC(=O)OC AT23749 [0,2,0,0,0,0|1,0,1]=4 156 B7R0.3 CNCCC(=O)OC AB11809 [0,2,0,0,0,0|1,0,0]=3 157 B7R0.3 COC(=O)CCCI F19766 [0,2,0,0,0,0|2,0,0]=4 158 B7R0.5 C#CC[C@H](N)C(=O)O C73254 [0,2,0,0,0,0|1,0,1]=4 159 B7R0.5 C#CC[C@H](N)C(=O)O F12349 [0,2,0,0,0,0|1,0,1]=4 160 B7R0.5 C=CC[C@H](N)C(=O)O 67602 [0,2,0,0,0,0|1,0,1]=4 161 B7R0.5 CC(=O)[C@@H](Cl)CCO 74627 [0,2,0,0,0,0|2,0,0]=4 162 B7R0.5 CCC[C@H](O)C(=O)O 77792 [0,2,0,0,0,0|1,0,0]=3 163 B7R0.5 CNC[C@H](N)C(=O)O N10392 [0,2,0,0,0,0|1,0,0]=3 164 B7R0.5 COC[C@H](Br)C(=O)O C76037 [0,2,0,0,0,0|0,1,0]=3 165 B7R0.5 COC[C@H](Cl)C(=O)O T70661 [0,2,0,0,0,0|0,1,0]=3 166 B7R0.5 C[Se]C[C@H](N)C(=O)O D95282 [0,2,0,0,0,0|0,1,0]=3 167 B7R0.5 NCC[C@H](F)C(=O)O D71941 [0,2,0,0,0,0|2,0,0]=4 168 B7R0.5 NCC[C@H](N)C(=O)O FD1070 [0,2,0,0,0,0|2,0,0]=4 169 B7R0.5 N[C@@H](CCS)C(=O)O C11384 [0,2,0,0,0,0|2,0,0]=4 170 B7R0.5 N[C@@H](CCS)C(=O)O I11579 [0,2,0,0,0,0|2,0,0]=4 171 B7R0.4 CC(=O)CCCCBr O11558 [0,2,0,0,0,0|1,0,0]=3 172 B7R0.4 CC(=O)OCCCBr C75766 [0,2,0,0,0,0|2,0,0]=4 173 B7R0.4 CCCOCC(=O)O AC1647 [0,2,0,0,0,0|1,0,0]=3 174 B7R0.4 CCNCCC(N)=O AT24732 [0,2,0,0,0,0|1,0,0]=3 175 B7R0.4 CNCCCC(N)=O 21232 [0,2,0,0,0,0|1,0,0]=3 176 B7R0.4 COCCCC(=O)O 78063 [0,2,0,0,0,0|0,1,0]=3 177 B7R0.4 COCCNC(N)=S T71533 [0,2,0,0,0,0|0,2,0]=4 178 B7R0.4 NCCNCC(=O)O FD21628 [0,2,0,0,0,0|2,0,0]=4 179 B7R0.4 O=C([O-])COCCO A11454 [0,2,0,0,0,0|2,0,0]=4 180 B7R0.6 CC(C)=CCC(=O)O 24307 [0,2,0,0,0,0|1,0,1]=4 181 B7R0.6 CC(C)CC[N+](=O)[O-] AC1797 [0,2,0,0,0,0|2,0,0]=4 182 B7R0.6 C[C@H](Cl)CCC(=O)Cl W17602 [0,2,0,0,0,0|1,0,0]=3 183 B7R0.6 C[C@H](O)CCC(=O)[O-] AC8853 [0,2,0,0,0,0|1,0,0]=3 184 B7R0.6 C[S+](C)CCC(=O)O T70554 [0,2,0,0,0,0|0,0,1]=3 185 B7R0.6 O=C(O)CCC(=O)O D85169 [0,2,0,0,0,0|2,0,0]=4 186 B7R0.8 CNCCS(=O)(=O)O A10810 [0,2,0,0,0,0|2,0,0]=4 187 B7R0.1 C=CCCCCNC R10008 [0,2,0,0,0,0|2,0,0]=4 188 B7R0.1 COCOCCC=O 32199 [0,2,0,0,0,0|0,1,0]=3 189 B7R0.1 O=CNCCNC=O D86921 [0,2,0,0,0,0|1,0,1]=4 190 B5R1.1 C1=CCSC1 F20684 [1,0,0,1,0,0|0,0,1]=3 191 B5R1.1 C1CNNC1 26256 [1,0,0,1,0,0|2,0,0]=4 192 B5R1.1 C1COCN1 A51210 [1,0,0,1,0,0|1,0,1]=4 193 B5R1.2 C=C1COC1 P17999 [1,0,0,1,0,0|0,1,1]=4 194 B5R1.2 C[C@H]1CCN1 98100 [1,0,0,1,0,0|1,0,1]=4 195 B5R1.2 C[C@H]1CCN1 P21034 [1,0,0,1,0,0|1,0,1]=4 196 B5R1.2 ClC1CCC1 T70092 [1,0,0,1,0,0|1,0,1]=4 197 B5R1.2 ClC1CNC1 37968 [1,0,0,1,0,0|2,0,0]=4 198 B5R1.2 ClC1COC1 CS1986 [1,0,0,1,0,0|1,1,0]=4 199 B5R1.2 FC1CNC1 SC2901 [1,0,0,1,0,0|2,0,0]=4 200 B5R1.2 IC1CCC1 P17114 [1,0,0,1,0,0|1,0,1]=4 201 B5R1.2 NC1CSC1 39038 [1,0,0,1,0,0|1,0,0]=3 202 B5R1.2 SC1CNC1 38596 [1,0,0,1,0,0|1,1,0]=4 203 B5R1.2 SC1COC1 32902 [1,0,0,1,0,0|0,2,0]=4 204 B5R1.3 ICC1CC1 P19124 [1,0,0,1,0,0|1,0,1]=4 205 B5R1.3 NNC1CC1 26649 [1,0,0,1,0,0|2,0,0]=4 206 B5R1.3 NNC1CC1 BL010354 [1,0,0,1,0,0|2,0,0]=4 207 B5R1.4 CC1CC1N 72192 [1,0,0,1,0,0|1,0,1]=4 208 B5R1.4 CC1CC1N 72742 [1,0,0,1,0,0|1,0,1]=4 209 B7R1.1 C=CC1CCCC1 T72385 [0,1,0,1,0,0|2,0,0]=4 210 B7R1.1 N#C[C@@H]1CSCN1 68265 [0,1,0,1,0,0|1,0,1]=4 211 B7R1.1 O=CC1=CCCC1 26227 [0,1,0,1,0,0|1,0,1]=4 212 B7R1.2 C=C1CCC(=O)O1 T71516 [0,1,0,1,0,0|1,0,1]=4 213 B7R1.2 CC1=CC(=O)CO1 Y10351 [0,1,0,1,0,0|2,0,0]=4 214 B7R1.2 CN1CCC(=O)C1 64220 [0,1,0,1,0,0|1,0,0]=3 215 B7R1.2 C[C@@H]1CNC(=O)C1 P17327 [0,1,0,1,0,0|2,0,0]=4 216 B7R1.2 C[C@H]1CCC(=O)N1 P20894 [0,1,0,1,0,0|1,0,0]=3 217 B7R1.2 C[C@H]1CCC(=O)N1 P20895 [0,1,0,1,0,0|1,0,0]=3 218 B7R1.2 C[C@H]1CNC(=O)O1 90054 [0,1,0,1,0,0|2,0,0]=4 219 B7R1.2 C[C@H]1COC(=O)N1 O10180 [0,1,0,1,0,0|2,0,0]=4 220 B7R1.2 C[C@H]1COC(=O)N1 W17357 [0,1,0,1,0,0|2,0,0]=4 221 B7R1.2 C[C@H]1COC(=O)O1 D77722 [0,1,0,1,0,0|2,0,0]=4 222 B7R1.2 NC1=CC(=O)CC1 90005 [0,1,0,1,0,0|1,0,1]=4 223 B7R1.2 N[C@@H]1CNC(=O)C1 N10626 [0,1,0,1,0,0|2,0,0]=4 224 B7R1.2 N[C@@H]1CNC(=O)C1 P12720 [0,1,0,1,0,0|2,0,0]=4 225 B7R1.2 N[C@@H]1COC(=O)C1 FD1175 [0,1,0,1,0,0|2,0,0]=4 226 B7R1.2 N[C@@H]1COC(=O)C1 W11179 [0,1,0,1,0,0|2,0,0]=4 227 B7R1.2 O=C1C=C(Br)CC1 W19329 [0,1,0,1,0,0|1,0,1]=4 228 B7R1.2 O=C1C=C(I)CC1 A12694 [0,1,0,1,0,0|1,0,1]=4 229 B7R1.2 O=C1CC[C@H](O)C1 P13127 [0,1,0,1,0,0|1,0,0]=3 230 B7R1.2 O=C1CNC(=O)C1 76756 [0,1,0,1,0,0|1,0,1]=4 231 B7R1.2 O=C1C[C@H](O)CO1 12464 [0,1,0,1,0,0|2,0,0]=4 232 B7R1.3 BrC1=CCCNC1 D97153 [0,1,0,1,0,0|2,0,0]=4 233 B7R1.3 BrC1=CCOCC1 C90119 [0,1,0,1,0,0|1,1,0]=4 234 B7R1.3 C=C1CCNCC1 88914 [0,1,0,1,0,0|2,0,0]=4 235 B7R1.3 C=C1CCOCC1 84295 [0,1,0,1,0,0|1,1,0]=4 236 B7R1.3 CC1=CCNCC1 A11257 [0,1,0,1,0,0|2,0,0]=4 237 B7R1.3 FC1=CCNCC1 P20375 [0,1,0,1,0,0|2,0,0]=4 238 B7R1.3 N[C@@H]1C=CCCC1 D84435 [0,1,0,1,0,0|2,0,0]=4 239 B7R1.3 O=C1C=CCCN1 88830 [0,1,0,1,0,0|1,0,1]=4 240 B7R1.3 O=C1C=CCOC1 O10790 [0,1,0,1,0,0|0,1,1]=4 241 B7R1.3 O=C1CCCCS1 D95162 [0,1,0,1,0,0|1,0,0]=3 242 B7R1.3 O=C1CNCCO1 RB3226 [0,1,0,1,0,0|1,0,0]=3 243 B7R1.3 O=C1CSCCN1 23643 [0,1,0,1,0,0|0,0,0]=2 244 B7R1.3 O[C@@H]1C=CCNC1 S11183 [0,1,0,1,0,0|2,0,0]=4 245 B7R1.4 CC1=CCOC1=O T72100 [0,1,0,1,0,0|1,0,1]=4 246 B7R1.4 CN1CCN=C1N W16176 [0,1,0,1,0,0|2,0,0]=4 247 B7R1.4 CN1CCNC1=O 81682 [0,1,0,1,0,0|1,0,0]=3 248 B7R1.4 NN1CCOC1=O S10190 [0,1,0,1,0,0|2,0,0]=4 249 B7R1.4 N[C@H]1CCNC1=O 51276 [0,1,0,1,0,0|2,0,0]=4 250 B7R1.4 N[C@H]1CCNC1=O 51277 [0,1,0,1,0,0|2,0,0]=4 251 B7R1.4 N[C@H]1CCNC1=O 51278 [0,1,0,1,0,0|2,0,0]=4 252 B7R1.4 N[C@H]1CCNC1=O F14678 [0,1,0,1,0,0|2,0,0]=4 253 B7R1.4 N[C@H]1CCSC1=O O10218 [0,1,0,1,0,0|2,0,0]=4 254 B7R1.4 N[C@H]1CONC1=O FD3007 [0,1,0,1,0,0|1,1,0]=4 255 B7R1.4 O=C1NCC[C@@H]1Br 78555 [0,1,0,1,0,0|2,0,0]=4 256 B7R1.4 O=C1OCC[C@@H]1O F14291 [0,1,0,1,0,0|2,0,0]=4 257 B7R1.6 C=CCC1CNC1 P14594 [0,1,0,1,0,0|2,0,0]=4 258 B7R1.6 O=CCC1CCC1 55432 [0,1,0,1,0,0|1,0,0]=3 259 B7R1.6 O=CCC1COC1 CS2316 [0,1,0,1,0,0|0,1,0]=3 260 B7R1.8 CO[C@H]1CCC1=O P17941 [0,1,0,1,0,0|0,1,0]=3 261 B7R1.8 O=C1CC[C@@H]1CO P13853 [0,1,0,1,0,0|1,0,0]=3 262 B7R1.10 COC1CC(=O)C1 P12741 [0,1,0,1,0,0|0,1,0]=3 263 B7R1.10 O=C1CC(CBr)C1 39031 [0,1,0,1,0,0|2,0,0]=4 264 B7R1.10 O=C1CC(CCl)C1 P11243 [0,1,0,1,0,0|2,0,0]=4 265 B7R1.10 O=C1C[C@H](CO)N1 P17668 [0,1,0,1,0,0|2,0,0]=4 266 B7R1.7 C=CCC[C@H]1CO1 61994 [0,1,0,1,0,0|1,1,0]=4 267 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O P12613 [0,1,0,1,0,0|1,0,0]=3 268 B7R1.12 C[C@H]1C[C@@H]1C(=O)O 72828 [0,1,0,1,0,0|1,0,0]=3 269 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I CS3201 [0,1,0,1,0,0|2,0,0]=4 270 B7R1.12 O=C(O)[C@H]1C[C@@H]1F P15680 [0,1,0,1,0,0|2,0,0]=4 271 B7R1.18 CC(=O)C1COC1 79962 [0,1,0,1,0,0|0,1,0]=3 272 B7R1.18 NC(=O)C1CCC1 20365 [0,1,0,1,0,0|1,0,0]=3 273 B7R1.18 NC(=O)[C@@H]1CCN1 20741 [0,1,0,1,0,0|2,0,0]=4 274 B7R1.18 NC(=O)[C@@H]1CCN1 21273 [0,1,0,1,0,0|2,0,0]=4 275 B7R1.18 O=C(O)C1COC1 81314 [0,1,0,1,0,0|0,1,0]=3 276 B7R1.18 O=C(O)C1CSC1 P12604 [0,1,0,1,0,0|0,0,0]=2 277 B7R1.18 O=C(O)[C@@H]1CCO1 32900 [0,1,0,1,0,0|2,0,0]=4 278 B7R1.18 O=[N+]([O-])C1CCC1 30647 [0,1,0,1,0,0|2,0,0]=4 279 B7R1.20 O=C(Cl)CC1CC1 P19146 [0,1,0,1,0,0|1,0,0]=3 280 B7R1.20 O=C(O)C[C@H]1CO1 P18471 [0,1,0,1,0,0|0,1,0]=3