0 B5R0.3 C=C[C@@H](N)CO 52208 [0,0,0,0,0,0|2,0,2]=4 1 B5R0.3 C=C[C@@H](N)CO 52209 [0,0,0,0,0,0|2,0,2]=4 2 B5R0.3 C=C[C@@H](N)CO 52211 [0,0,0,0,0,0|2,0,2]=4 3 B5R0.3 C=C[C@@H](O)CO 56500 [0,0,0,0,0,0|2,0,2]=4 4 B5R0.3 C=C[C@H](C)ON F31247 [0,0,0,0,0,0|1,0,2]=3 5 B5R0.3 CCC(=O)CN S11993 [0,0,0,0,0,0|1,0,1]=2 6 B5R0.3 CC[C@H](C)CN 88665 [0,0,0,0,0,0|0,0,0]=0 7 B5R0.3 CC[C@H](N)C#N 98383 [0,0,0,0,0,0|1,0,2]=3 8 B5R0.3 CC[PH](=O)CC C77650 [0,0,0,0,0,0|3,0,0]=3 9 B5R0.3 CN[C@@H](C)CO AC8719 [0,0,0,0,0,0|2,0,0]=2 10 B5R0.3 CN[C@@H](C)CO C77593 [0,0,0,0,0,0|2,0,0]=2 11 B5R0.3 CN[C@@H](C)CO D80042 [0,0,0,0,0,0|2,0,0]=2 12 B5R0.3 CN[C@@H](C)CO D80344 [0,0,0,0,0,0|2,0,0]=2 13 B5R0.3 CN[C@@H](C)CO D82586 [0,0,0,0,0,0|2,0,0]=2 14 B5R0.3 COC(=S)NN Y13479 [0,0,0,0,0,0|3,0,1]=4 15 B5R0.3 CO[C@@H](C)CN 91001 [0,0,0,0,0,0|1,0,0]=1 16 B5R0.3 CO[C@@H](C)CO 91002 [0,0,0,0,0,0|2,0,0]=2 17 B5R0.3 C[C@@H](CN)CCl 72948 [0,0,0,0,0,0|1,0,0]=1 18 B5R0.3 C[C@@H](CO)CBr AB3182 [0,0,0,0,0,0|2,0,0]=2 19 B5R0.3 FCC(I)CF AC4509 [0,0,0,0,0,0|3,0,0]=3 20 B5R0.3 NC[C@H](Br)CBr AC1488 [0,0,0,0,0,0|2,0,0]=2 21 B5R0.3 NC[C@H](F)CO 94841 [0,0,0,0,0,0|2,0,0]=2 22 B5R0.3 NC[C@H](F)CO 94845 [0,0,0,0,0,0|2,0,0]=2 23 B5R0.3 NC[C@H](F)CO 94846 [0,0,0,0,0,0|2,0,0]=2 24 B5R0.3 NC[C@H](O)CCl C10413 [0,0,0,0,0,0|2,0,0]=2 25 B5R0.3 NC[C@H](O)CF 94771 [0,0,0,0,0,0|2,0,0]=2 26 B5R0.3 OC[C@H](O)CF 65949 [0,0,0,0,0,0|3,0,0]=3 27 B5R0.3 OC[C@H](O)CF F14582 [0,0,0,0,0,0|3,0,0]=3 28 B4R0.1 C#C[C@H](C)N AB1311 [1,0,0,0,0,0|0,0,2]=3 29 B4R0.1 C#C[C@H](C)N F31055 [1,0,0,0,0,0|0,0,2]=3 30 B4R0.1 C=C[C@H](C)N 81150 [1,0,0,0,0,0|0,0,2]=3 31 B4R0.1 C=C[C@H](C)N C77628 [1,0,0,0,0,0|0,0,2]=3 32 B4R0.1 C=C[C@H](C)N N11410 [1,0,0,0,0,0|0,0,2]=3 33 B4R0.1 CC(=N)NN C74999 [1,0,0,0,0,0|2,0,1]=4 34 B4R0.1 CC(C)CBr P19652 [1,0,0,0,0,0|1,0,0]=2 35 B4R0.1 CC[C@H](C)N 74047 [1,0,0,0,0,0|0,0,0]=1 36 B4R0.1 C[C@H](Br)CN F11189 [1,0,0,0,0,0|1,0,0]=2 37 B4R0.1 C[C@H](Br)CO W17591 [1,0,0,0,0,0|2,0,0]=3 38 B4R0.1 C[C@H](Cl)CN Y14715 [1,0,0,0,0,0|1,0,0]=2 39 B4R0.1 C[C@H](N)C#N I11084 [1,0,0,0,0,0|1,0,1]=3 40 B4R0.1 C[C@H](N)CF AC1136 [1,0,0,0,0,0|1,0,0]=2 41 B4R0.1 C[C@H](N)CF AC6177 [1,0,0,0,0,0|1,0,0]=2 42 B4R0.1 C\C=C(\C)Br D93160 [1,0,0,0,0,0|1,0,2]=4 43 B4R0.1 N=C(N)CO 20678 [1,0,0,0,0,0|2,0,1]=4 44 B4R0.1 NCC(=O)O A10882 [1,0,0,0,0,0|2,0,1]=4 45 B4R0.1 NCC(=O)O T72551 [1,0,0,0,0,0|2,0,1]=4 46 B4R0.1 NCC(F)F C16390 [1,0,0,0,0,0|2,0,0]=3 47 B4R0.2 BrCCCBr D77913 [1,0,0,0,0,0|2,0,0]=3 48 B4R0.2 BrCOCBr AC2225 [1,0,0,0,0,0|3,0,0]=4 49 B4R0.2 C#CCCCl C77663 [1,0,0,0,0,0|1,0,2]=4 50 B4R0.2 C#CCCI AC1965 [1,0,0,0,0,0|1,0,2]=4 51 B4R0.2 C#CCCN 31177 [1,0,0,0,0,0|0,0,2]=3 52 B4R0.2 C#CCCN 68194 [1,0,0,0,0,0|0,0,2]=3 53 B4R0.2 C=CCNN D79874 [1,0,0,0,0,0|1,0,2]=4 54 B4R0.2 CCCCN T70838 [1,0,0,0,0,0|0,0,0]=1 55 B4R0.2 CCONC AT14498 [1,0,0,0,0,0|3,0,0]=4 56 B4R0.2 COCCI A50601 [1,0,0,0,0,0|2,0,0]=3 57 B4R0.2 CSCCN D73275 [1,0,0,0,0,0|1,0,0]=2 58 B4R0.2 NCCCF 61303 [1,0,0,0,0,0|1,0,0]=2 59 B4R0.2 NCCCN T70045 [1,0,0,0,0,0|1,0,0]=2 60 B4R0.2 NCCCS A11074 [1,0,0,0,0,0|1,0,0]=2 61 B4R0.2 OCCCO D77845 [1,0,0,0,0,0|2,0,0]=3 62 B4R0.2 OCCCS D78398 [1,0,0,0,0,0|2,0,0]=3 63 B4R0.2 SCCCBr 77989 [1,0,0,0,0,0|2,0,0]=3 64 B6R0.1 C=CC[C@H](N)CO F16846 [0,1,0,0,0,0|2,0,1]=4 65 B6R0.1 CCC[C@@H](Br)CC D78429 [0,1,0,0,0,0|2,0,0]=3 66 B6R0.1 CCC[C@H](N)CO C13482 [0,1,0,0,0,0|2,0,0]=3 67 B6R0.1 CCNC(=O)CO 79517 [0,1,0,0,0,0|2,0,1]=4 68 B6R0.1 CCO[C@@H](C)CO 91003 [0,1,0,0,0,0|1,0,0]=2 69 B6R0.1 CC[C@H](S)CCO D84734 [0,1,0,0,0,0|2,0,0]=3 70 B6R0.1 CNC(=O)CCN C75423 [0,1,0,0,0,0|2,0,1]=4 71 B6R0.1 COC[C@@H](O)CN 94767 [0,1,0,0,0,0|1,0,0]=2 72 B6R0.1 NCC[C@H](O)CO F51073 [0,1,0,0,0,0|2,0,0]=3 73 B6R0.1 NNC(=O)CCO C77491 [0,1,0,0,0,0|2,0,1]=4 74 B6R0.1 N[C@H](CO)CCO AB10026 [0,1,0,0,0,0|2,0,0]=3 75 B6R0.1 N[C@H](CO)CCO AB10027 [0,1,0,0,0,0|2,0,0]=3 76 B6R0.1 N[C@H](CS)CCS F52529 [0,1,0,0,0,0|2,0,0]=3 77 B6R0.3 C=C(I)[C@@H](C)CI 27069 [0,1,0,0,0,0|1,0,2]=4 78 B6R0.3 CC(C)C(=O)CCl D94573 [0,1,0,0,0,0|2,0,1]=4 79 B6R0.3 CC(C)[C@@H](C)CO D93394 [0,1,0,0,0,0|1,0,0]=2 80 B6R0.3 CCN(C)C(C)=O F19909 [0,1,0,0,0,0|2,0,1]=4 81 B6R0.3 CC[C@H](C)C(=O)O 88659 [0,1,0,0,0,0|1,0,1]=3 82 B6R0.3 CC[C@H](N)C(N)=O I10243 [0,1,0,0,0,0|1,0,1]=3 83 B6R0.3 CC[C@H](N)[C@@H](C)O N14663 [0,1,0,0,0,0|2,0,0]=3 84 B6R0.3 CN(C)C(=O)CN FD21613 [0,1,0,0,0,0|2,0,1]=4 85 B6R0.3 CNC(=O)[C@H](C)N C78177 [0,1,0,0,0,0|2,0,1]=4 86 B6R0.3 CNC(=O)[C@H](C)N C78349 [0,1,0,0,0,0|2,0,1]=4 87 B6R0.3 CNC(=O)[C@H](C)N FD21069 [0,1,0,0,0,0|2,0,1]=4 88 B6R0.3 C[C@@H](CN)C(=O)O F15101 [0,1,0,0,0,0|1,0,1]=3 89 B6R0.3 C[C@@H](CN)C(=O)O F15242 [0,1,0,0,0,0|1,0,1]=3 90 B6R0.3 C[C@@H](CO)C(=O)O FD6004 [0,1,0,0,0,0|2,0,1]=4 91 B6R0.3 C[C@H](ON)C(=O)O AT14512 [0,1,0,0,0,0|2,0,1]=4 92 B6R0.3 C[C@H](ON)C(=O)O Y13476 [0,1,0,0,0,0|2,0,1]=4 93 B6R0.3 NC(=O)[C@@H](N)CO D75098 [0,1,0,0,0,0|2,0,1]=4 94 B6R0.3 NC[C@H](F)C(=O)O T73016 [0,1,0,0,0,0|2,0,1]=4 95 B6R0.3 NC[C@H](O)C(=O)O O10173 [0,1,0,0,0,0|2,0,1]=4 96 B6R0.3 O[C@@H](CBr)C(F)F AC5394 [0,1,0,0,0,0|3,0,0]=4 97 B6R0.8 C#CC(C)(C)CO 20986 [0,1,0,0,0,0|1,0,2]=4 98 B6R0.8 CC(C)(C=O)CCl C90225 [0,1,0,0,0,0|2,0,1]=4 99 B6R0.8 CC(O)(CO)CO AC1642 [0,1,0,0,0,0|2,0,0]=3 100 B6R0.8 CCS(=O)(=O)CCl 72654 [0,1,0,0,0,0|3,0,0]=4 101 B6R0.8 CC[C@](C)(N)C#N 25874 [0,1,0,0,0,0|0,0,2]=3 102 B6R0.8 COC(C)(C)CBr 71702 [0,1,0,0,0,0|2,0,0]=3 103 B6R0.8 NCC(F)(F)CN 72850 [0,1,0,0,0,0|2,0,0]=3 104 B6R0.8 NCC(F)(F)CO 74613 [0,1,0,0,0,0|2,0,0]=3 105 B6R0.9 CCC(C#N)CC AC1599 [0,1,0,0,0,0|0,0,2]=3 106 B6R0.9 CCC(CBr)CBr W17735 [0,1,0,0,0,0|1,0,0]=2 107 B6R0.9 CCN(C#N)CC A12695 [0,1,0,0,0,0|1,0,2]=4 108 B6R0.9 CC[C@@H](CN)CO Y13480 [0,1,0,0,0,0|0,0,0]=1 109 B6R0.9 CO[C@@H](CN)CO P20679 [0,1,0,0,0,0|1,0,0]=2 110 B6R1.2 C=C1CCNC1 F13598 [0,0,0,1,0,0|0,0,2]=3 111 B6R1.2 C[C@H]1CCNC1 69327 [0,0,0,1,0,0|0,0,0]=1 112 B6R1.2 C[C@H]1CCSC1 70016 [0,0,0,1,0,0|1,0,0]=2 113 B6R1.2 Cl[C@H]1CCNC1 W15835 [0,0,0,1,0,0|1,0,0]=2 114 B6R1.2 Cl[C@H]1CCOC1 N12419 [0,0,0,1,0,0|2,0,0]=3 115 B6R1.2 F[C@H]1CCNC1 P10396 [0,0,0,1,0,0|1,0,0]=2 116 B6R1.2 F[C@H]1CCNC1 P10397 [0,0,0,1,0,0|1,0,0]=2 117 B6R1.2 I[C@H]1CCOC1 37310 [0,0,0,1,0,0|2,0,0]=3 118 B6R1.2 I[C@H]1CCOC1 37311 [0,0,0,1,0,0|2,0,0]=3 119 B6R1.2 NN1CCCC1 F13227 [0,0,0,1,0,0|3,0,0]=4 120 B6R1.2 NN1CCCC1 S12058 [0,0,0,1,0,0|3,0,0]=4 121 B6R1.2 N[C@H]1CCSC1 70834 [0,0,0,1,0,0|2,0,0]=3 122 B6R1.2 O=C1CNCN1 25530 [0,0,0,1,0,0|2,0,1]=4 123 B6R1.2 O[C@H]1CCSC1 50208 [0,0,0,1,0,0|2,0,0]=3 124 B6R1.2 O[C@H]1CNOC1 31712 [0,0,0,1,0,0|2,0,0]=3 125 B6R1.4 CC1NCC1F P20228 [0,0,0,1,0,0|1,0,0]=2 126 B6R1.4 CC1OCC1O P16543 [0,0,0,1,0,0|2,0,0]=3 127 B6R1.4 C[C@@H]1OCC1=O P16003 [0,0,0,1,0,0|2,0,1]=4 128 B6R1.4 C[C@H]1CCC1=O W18267 [0,0,0,1,0,0|1,0,1]=3 129 B6R1.4 C[C@H]1CNC1=O P20594 [0,0,0,1,0,0|1,0,1]=3 130 B6R1.4 C[C@H]1NC[C@@H]1F P20392 [0,0,0,1,0,0|1,0,0]=2 131 B6R1.4 C[C@H]1NC[C@@H]1O D79131 [0,0,0,1,0,0|1,0,0]=2 132 B6R1.4 C[C@H]1NC[C@@H]1O P18430 [0,0,0,1,0,0|1,0,0]=2 133 B6R1.4 NC1CCC1F P20418 [0,0,0,1,0,0|1,0,0]=2 134 B6R1.4 NC1CCC1O 94999 [0,0,0,1,0,0|1,0,0]=2 135 B6R1.4 N[C@@H]1CC[C@@H]1O P18786 [0,0,0,1,0,0|1,0,0]=2 136 B6R1.4 O=C1CC[C@@H]1Br P18435 [0,0,0,1,0,0|2,0,1]=4 137 B6R1.4 OC1CCC1O D79179 [0,0,0,1,0,0|2,0,0]=3 138 B6R1.4 O[C@H]1CC[C@@H]1O P21043 [0,0,0,1,0,0|2,0,0]=3 139 B6R1.6 BrC[C@H]1CCO1 28585 [0,0,0,1,0,0|2,0,0]=3 140 B6R1.6 BrC[C@H]1CCO1 D97141 [0,0,0,1,0,0|2,0,0]=3 141 B6R1.6 BrC[C@H]1CCO1 P21121 [0,0,0,1,0,0|2,0,0]=3 142 B6R1.6 C#C[C@@H]1CCO1 P18800 [0,0,0,1,0,0|2,0,1]=4 143 B6R1.6 CNC1CCC1 20929 [0,0,0,1,0,0|2,0,0]=3 144 B6R1.6 CSC1CNC1 37205 [0,0,0,1,0,0|1,0,0]=2 145 B6R1.6 FCC1CNC1 86811 [0,0,0,1,0,0|1,0,0]=2 146 B6R1.6 N#CC1CNC1 CS1269 [0,0,0,1,0,0|1,0,1]=3 147 B6R1.6 N#CC1COC1 81313 [0,0,0,1,0,0|1,0,2]=4 148 B6R1.6 N#C[C@@H]1CCN1 P18399 [0,0,0,1,0,0|1,0,2]=4 149 B6R1.6 NCC1CNC1 26899 [0,0,0,1,0,0|1,0,0]=2 150 B6R1.6 NC[C@H]1CCN1 20184 [0,0,0,1,0,0|1,0,0]=2 151 B6R1.6 NC[C@H]1CCO1 P20441 [0,0,0,1,0,0|1,0,0]=2 152 B6R1.6 NNC1CCC1 AB1362 [0,0,0,1,0,0|1,0,0]=2 153 B6R1.6 NNC1CCC1 BL010353 [0,0,0,1,0,0|1,0,0]=2 154 B6R1.6 NNC1CNC1 BL010350 [0,0,0,1,0,0|2,0,0]=3 155 B6R1.6 NNC1COC1 BL010351 [0,0,0,1,0,0|2,0,0]=3 156 B6R1.6 NNC1CSC1 BL010352 [0,0,0,1,0,0|2,0,0]=3 157 B6R1.6 O=CC1COC1 84841 [0,0,0,1,0,0|2,0,1]=4 158 B6R1.6 OCC1CNC1 65945 [0,0,0,1,0,0|1,0,0]=2 159 B6R1.6 OC[C@H]1CCN1 36269 [0,0,0,1,0,0|2,0,0]=3 160 B6R1.6 OC[C@H]1CCN1 38353 [0,0,0,1,0,0|2,0,0]=3 161 B6R1.6 OC[C@H]1CCN1 38354 [0,0,0,1,0,0|2,0,0]=3 162 B6R1.6 OC[C@H]1CCO1 26540 [0,0,0,1,0,0|2,0,0]=3 163 B6R1.6 OC[C@H]1CCO1 AT10832 [0,0,0,1,0,0|2,0,0]=3 164 B6R1.6 OC[C@H]1CCO1 P19736 [0,0,0,1,0,0|2,0,0]=3 165 B6R1.7 C#CC1(N)CC1 70853 [0,0,0,1,0,0|2,0,1]=4 166 B6R1.7 CC1(CN)CC1 W10016 [0,0,0,1,0,0|0,0,0]=1 167 B6R1.7 CC1(CO)N=N1 F18398 [0,0,0,1,0,0|2,0,1]=4 168 B6R1.7 C[C@]1(CO)CO1 95575 [0,0,0,1,0,0|2,0,0]=3 169 B6R1.7 NC1(CF)CC1 72945 [0,0,0,1,0,0|2,0,0]=3 170 B6R1.7 NC1(CO)CC1 32781 [0,0,0,1,0,0|2,0,0]=3 171 B6R1.7 NCC1(O)CC1 AC3228 [0,0,0,1,0,0|1,0,0]=2 172 B6R1.7 OCC1(F)CC1 72692 [0,0,0,1,0,0|2,0,0]=3 173 B6R1.7 OCC1(O)CC1 72268 [0,0,0,1,0,0|2,0,0]=3 174 B6R1.8 C[C@H]1C[C@@H]1CO 72702 [0,0,0,1,0,0|1,0,0]=2 175 B6R1.8 OC[C@H]1C[C@@H]1F CS3459 [0,0,0,1,0,0|2,0,0]=3 176 B3R0.1 CCNN D79778 [2,0,0,0,0,0|1,0,0]=3 177 B3R0.1 CCON C13232 [2,0,0,0,0,0|1,0,0]=3 178 B3R0.1 C[Se][Se]C H10908 [2,0,0,0,0,0|2,0,0]=4 179 B3R0.1 ClCCI T71139 [2,0,0,0,0,0|2,0,0]=4 180 B3R0.1 NCCN A12036 [2,0,0,0,0,0|1,0,0]=3 181 B3R0.1 NCCN T72722 [2,0,0,0,0,0|1,0,0]=3 182 B3R0.2 CC(Br)Br D78418 [2,0,0,0,0,0|2,0,0]=4 183 B3R0.2 C[S+](C)C AC2631 [2,0,0,0,0,0|1,0,0]=3 184 B5R0.1 C=C(C)CON F31248 [1,1,0,0,0,0|0,0,2]=4 185 B5R0.1 C=CC[C@H](C)O 71459 [1,1,0,0,0,0|1,0,1]=4 186 B5R0.1 C=CC[C@H](C)O A12634 [1,1,0,0,0,0|1,0,1]=4 187 B5R0.1 CCC[C@H](C)N P14575 [1,1,0,0,0,0|0,0,0]=2 188 B5R0.1 CCC[C@H](C)N Y10887 [1,1,0,0,0,0|0,0,0]=2 189 B5R0.1 CCOC(N)=S A11227 [1,1,0,0,0,0|1,0,1]=4 190 B5R0.1 CN(C)CC=O D88083 [1,1,0,0,0,0|1,0,1]=4 191 B5R0.1 CN(C)CCO D93012 [1,1,0,0,0,0|1,0,0]=3 192 B5R0.1 CNCC(F)F D86102 [1,1,0,0,0,0|2,0,0]=4 193 B5R0.1 CNC[C@H](C)O AC1157 [1,1,0,0,0,0|1,0,0]=3 194 B5R0.1 CNC[C@H](C)O N12528 [1,1,0,0,0,0|1,0,0]=3 195 B5R0.1 COC[C@H](C)Br 78860 [1,1,0,0,0,0|1,0,0]=3 196 B5R0.1 COC[C@H](C)N 25526 [1,1,0,0,0,0|0,0,0]=2 197 B5R0.1 COC[C@H](C)N D95458 [1,1,0,0,0,0|0,0,0]=2 198 B5R0.1 COC[C@H](C)N W17998 [1,1,0,0,0,0|0,0,0]=2 199 B5R0.1 C[C@H](N)CC#N 12486 [1,1,0,0,0,0|0,0,1]=3 200 B5R0.1 C[C@H](O)CC#N 87623 [1,1,0,0,0,0|1,0,1]=4 201 B5R0.1 C[C@H](O)CCN 83616 [1,1,0,0,0,0|1,0,0]=3 202 B5R0.1 C[C@H](O)CON O10313 [1,1,0,0,0,0|1,0,0]=3 203 B5R0.1 C[S+](C)CCCl 77752 [1,1,0,0,0,0|1,0,0]=3 204 B5R0.1 NCCC(F)F D77085 [1,1,0,0,0,0|2,0,0]=4 205 B5R0.1 OCCC(F)F P18054 [1,1,0,0,0,0|2,0,0]=4 206 B5R0.4 C#CC(C)(C)Br AB8396 [1,1,0,0,0,0|0,0,2]=4 207 B5R0.4 CC(C)(Br)CN 55595 [1,1,0,0,0,0|0,0,0]=2 208 B5R0.4 CC(C)(C)NO 77598 [1,1,0,0,0,0|2,0,0]=4 209 B5R0.4 CC(C)(Cl)CCl H11156 [1,1,0,0,0,0|1,0,0]=3 210 B5R0.4 CC(C)(F)CBr 29918 [1,1,0,0,0,0|1,0,0]=3 211 B5R0.4 CC(C)(F)CO P17817 [1,1,0,0,0,0|1,0,0]=3 212 B5R0.4 CC(C)(O)CBr A11164 [1,1,0,0,0,0|1,0,0]=3 213 B5R0.4 C[Si](C)(C)ON 77601 [1,1,0,0,0,0|1,1,0]=4 214 B5R0.5 CC(=O)[C@H](C)N D76571 [1,1,0,0,0,0|0,0,1]=3 215 B5R0.5 CC(=S)N(C)C 76921 [1,1,0,0,0,0|1,0,1]=4 216 B5R0.5 CN(C)C(=N)N 71417 [1,1,0,0,0,0|1,0,1]=4 217 B5R0.5 C[C@H](N)C(N)=O 25148 [1,1,0,0,0,0|1,0,1]=4 218 B5R0.5 C[C@H](O)C(=N)N 71516 [1,1,0,0,0,0|1,0,1]=4 219 B5R0.5 C[C@H](O)[C@H](C)O C91323 [1,1,0,0,0,0|1,0,0]=3 220 B5R0.2 C#CCCCI C78094 [1,1,0,0,0,0|1,0,1]=4 221 B5R0.2 C#CCCCN 72839 [1,1,0,0,0,0|0,0,1]=3 222 B5R0.2 C#CCOCC C90311 [1,1,0,0,0,0|1,0,1]=4 223 B5R0.2 C=CCCNC W16107 [1,1,0,0,0,0|0,0,2]=4 224 B5R0.2 CCCCON 31644 [1,1,0,0,0,0|0,0,0]=2 225 B5R0.2 CNOCCN D97505 [1,1,0,0,0,0|1,0,0]=3 226 B5R0.2 COCCCO D77912 [1,1,0,0,0,0|1,0,0]=3 227 B5R0.2 NCCCCCl F19552 [1,1,0,0,0,0|0,0,0]=2 228 B5R0.2 NC\C=C\CN E70437 [1,1,0,0,0,0|0,0,2]=4 229 B5R0.2 NNCCCO AB9423 [1,1,0,0,0,0|1,0,0]=3 230 B5R0.2 O=CCCCO 55817 [1,1,0,0,0,0|1,0,1]=4 231 B7R0.2 CC(C)OC(=O)CN FD21588 [0,2,0,0,0,0|1,0,1]=4 232 B7R0.2 CC[C@H](C)CC(=O)O 63986 [0,2,0,0,0,0|1,0,0]=3 233 B7R0.2 CC[C@H](C)CC(C)=O A11862 [0,2,0,0,0,0|1,0,0]=3 234 B7R0.2 CC[C@H](N)CC(=O)O 51922 [0,2,0,0,0,0|2,0,0]=4 235 B7R0.2 CC[C@H](N)CC(=O)O 52000 [0,2,0,0,0,0|2,0,0]=4 236 B7R0.2 CC[C@H](O)CC(=O)O C14017 [0,2,0,0,0,0|2,0,0]=4 237 B7R0.2 CN(C)C[C@H](O)CO D95190 [0,2,0,0,0,0|2,0,0]=4 238 B7R0.2 COC(C)CC(C)O 78061 [0,2,0,0,0,0|2,0,0]=4 239 B7R0.5 CC(C)[C@@H](O)CCN 83602 [0,2,0,0,0,0|1,0,0]=3 240 B7R0.5 CCCC(Br)C(C)Br D81745 [0,2,0,0,0,0|2,0,0]=4 241 B7R0.5 CCSC(=O)[C@H](C)N C14826 [0,2,0,0,0,0|1,0,1]=4 242 B7R0.7 CCC[C@H](Br)CCBr D94373 [0,2,0,0,0,0|2,0,0]=4 243 B7R0.7 CCC[C@H](N)CCO AT20461 [0,2,0,0,0,0|2,0,0]=4 244 B7R0.7 CCC[C@H](N)CCO I11080 [0,2,0,0,0,0|2,0,0]=4 245 B7R0.7 CCC[C@H](N)CCO N12794 [0,2,0,0,0,0|2,0,0]=4 246 B7R0.7 CCNC(=O)CNC A12930 [0,2,0,0,0,0|1,0,1]=4 247 B7R0.7 CCOP(C)OCC 28742 [0,2,0,0,0,0|2,0,0]=4 248 B7R0.7 CN(CCO)CCO A10780 [0,2,0,0,0,0|2,0,0]=4 249 B7R0.7 COC[C@@H](N)CCO AT12992 [0,2,0,0,0,0|2,0,0]=4 250 B7R0.10 CCC(C)[C@H](N)C#N AR2444 [0,2,0,0,0,0|0,0,0]=2 251 B7R0.10 CC[C@@H](C)[C@@H](N)CO 73347 [0,2,0,0,0,0|0,0,0]=2 252 B7R0.10 COC(=O)[C@@H](C)CBr T71508 [0,2,0,0,0,0|1,0,1]=4 253 B7R0.10 COC(=O)[C@@H](O)CN AC4978 [0,2,0,0,0,0|1,0,1]=4 254 B7R0.10 COC(=O)[C@@H](O)CN D97235 [0,2,0,0,0,0|1,0,1]=4 255 B7R0.10 OC[C@H](O)[C@@H](O)CO T72117 [0,2,0,0,0,0|2,0,0]=4 256 B7R0.10 O[C@@H](CS)[C@@H](O)CS T70362 [0,2,0,0,0,0|2,0,0]=4 257 B7R0.11 CC(C)(CO)CCO W16131 [0,2,0,0,0,0|1,0,0]=3 258 B7R0.11 CCC(C)(C)CCCl F50555 [0,2,0,0,0,0|1,0,0]=3 259 B7R0.11 CCCC(C)(C)C#N T70545 [0,2,0,0,0,0|0,0,2]=4 260 B7R0.11 CCC[C@](C)(N)C#N 20848 [0,2,0,0,0,0|0,0,2]=4 261 B7R0.11 CCO[Si](C)(C)CCl I11069 [0,2,0,0,0,0|1,1,0]=4 262 B7R0.11 CCS(=O)(=O)CCN AR2318 [0,2,0,0,0,0|2,0,0]=4 263 B7R0.11 COCC(C)(C)CO BL000418 [0,2,0,0,0,0|1,0,0]=3 264 B7R0.11 C[N+](C)(CF)CCO W18955 [0,2,0,0,0,0|2,0,0]=4 265 B7R0.11 C[N+](C)(CI)CCO F11952 [0,2,0,0,0,0|2,0,0]=4 266 B7R0.12 CCCC(CO)CO AB7729 [0,2,0,0,0,0|1,0,0]=3 267 B7R0.12 CCN[C@@H](CC)CO 29377 [0,2,0,0,0,0|1,0,0]=3 268 B7R0.13 CC(=O)C(C)(C)CO Y13534 [0,2,0,0,0,0|1,0,1]=4 269 B7R0.13 CC(C)(CN)C(=O)O D76726 [0,2,0,0,0,0|1,0,1]=4 270 B7R0.13 CCC(C)(C)[S@@](N)=O 97000 [0,2,0,0,0,0|1,0,0]=3 271 B7R0.13 CCC(C)(C)[S@@](N)=O 97001 [0,2,0,0,0,0|1,0,0]=3 272 B7R0.13 CC[C@](C)(N)C(=O)O 63927 [0,2,0,0,0,0|1,0,1]=4 273 B7R0.13 CC[C@](C)(N)C(=O)O F12073 [0,2,0,0,0,0|1,0,1]=4 274 B7R0.13 CC[C@](C)(O)C(=O)O D78565 [0,2,0,0,0,0|1,0,1]=4 275 B7R0.13 COC(C)(C)C(N)=O Y13489 [0,2,0,0,0,0|1,0,1]=4 276 B7R0.14 CC(C)(C)C(=O)CN F11054 [0,2,0,0,0,0|1,0,1]=4 277 B7R0.14 CC(C)(C)[C@@H](N)CO 39285 [0,2,0,0,0,0|2,0,0]=4 278 B7R0.14 CC(C)(O)[C@@H](F)CN 89812 [0,2,0,0,0,0|1,0,0]=3 279 B7R0.14 CC(C)(O)[C@@H](F)CN P18828 [0,2,0,0,0,0|1,0,0]=3 280 B7R0.14 C[C@@H](CO)C(F)(F)F I10109 [0,2,0,0,0,0|2,0,0]=4 281 B7R0.14 C[C@H](NN)C(F)(F)F D88109 [0,2,0,0,0,0|2,0,0]=4 282 B7R0.14 NC[C@H](O)C(F)(F)F F52599 [0,2,0,0,0,0|2,0,0]=4 283 B7R0.15 CC(C)C(CO)CO 73803 [0,2,0,0,0,0|1,0,0]=3 284 B7R0.15 CC[C@@H](CO)C(C)C C74656 [0,2,0,0,0,0|1,0,0]=3 285 B7R0.15 CC[C@H](NC)C(=O)O W18322 [0,2,0,0,0,0|1,0,1]=4 286 B7R0.15 CC[C@H](OC)C(=O)O AC6372 [0,2,0,0,0,0|1,0,1]=4 287 B7R0.15 COC(OC)C(C)C D93459 [0,2,0,0,0,0|2,0,0]=4 288 B7R0.15 COC(OC)[C@H](C)Br AC5914 [0,2,0,0,0,0|2,0,0]=4 289 B7R0.16 CC(C)[C@H](C)C(=O)O F17074 [0,2,0,0,0,0|1,0,1]=4 290 B7R0.16 CC(C)[C@H](C)C(=O)O I11272 [0,2,0,0,0,0|1,0,1]=4 291 B7R0.16 CC(C)[C@H](N)C(N)=O AC1523 [0,2,0,0,0,0|1,0,1]=4 292 B7R0.18 C#CC(N)(CC)CC 20511 [0,2,0,0,0,0|1,0,1]=4 293 B7R0.18 CCC(N)(C#N)CC 20841 [0,2,0,0,0,0|0,0,2]=4 294 B7R0.18 COC(C)(CN)OC A10525 [0,2,0,0,0,0|1,0,0]=3 295 B5R1.2 C[C@H]1CCN1 98100 [1,0,0,1,0,0|0,0,0]=2 296 B5R1.2 C[C@H]1CCN1 P21034 [1,0,0,1,0,0|0,0,0]=2 297 B5R1.2 ClC1CCC1 T70092 [1,0,0,1,0,0|1,0,0]=3 298 B5R1.2 ClC1CNC1 37968 [1,0,0,1,0,0|1,0,0]=3 299 B5R1.2 ClC1COC1 CS1986 [1,0,0,1,0,0|2,0,0]=4 300 B5R1.2 FC1CNC1 SC2901 [1,0,0,1,0,0|1,0,0]=3 301 B5R1.2 IC1CCC1 P17114 [1,0,0,1,0,0|1,0,0]=3 302 B5R1.2 NC1CSC1 39038 [1,0,0,1,0,0|1,0,0]=3 303 B5R1.2 SC1CNC1 38596 [1,0,0,1,0,0|1,0,0]=3 304 B5R1.2 SC1COC1 32902 [1,0,0,1,0,0|2,0,0]=4 305 B5R1.3 ICC1CC1 P19124 [1,0,0,1,0,0|1,0,0]=3 306 B5R1.3 NNC1CC1 26649 [1,0,0,1,0,0|1,0,0]=3 307 B5R1.3 NNC1CC1 BL010354 [1,0,0,1,0,0|1,0,0]=3 308 B5R1.4 CC1CC1N 72192 [1,0,0,1,0,0|0,0,0]=2 309 B5R1.4 CC1CC1N 72742 [1,0,0,1,0,0|0,0,0]=2 310 B5R1.4 N[C@@H]1C[C@@H]1F D79320 [1,0,0,1,0,0|1,0,0]=3 311 B5R1.4 N[C@@H]1C[C@@H]1F P17919 [1,0,0,1,0,0|1,0,0]=3 312 B5R1.4 N[C@@H]1C[C@@H]1O C93526 [1,0,0,1,0,0|1,0,0]=3 313 B5R1.4 N[C@H]1C[C@@H]1F CS3399 [1,0,0,1,0,0|1,0,0]=3 314 B5R1.4 N[C@H]1C[C@@H]1N P18270 [1,0,0,1,0,0|1,0,0]=3 315 B5R1.5 CC1(C)CN1 56316 [1,0,0,1,0,0|0,0,0]=2 316 B5R1.5 CC1(O)CC1 83778 [1,0,0,1,0,0|1,0,0]=3 317 B5R1.1 C1CNNC1 26256 [1,0,0,1,0,0|1,0,0]=3 318 B5R1.1 C1COCN1 A51210 [1,0,0,1,0,0|1,0,0]=3 319 B7R1.1 BrCC1=CCCC1 37275 [0,1,0,1,0,0|1,0,1]=4 320 B7R1.1 BrC[C@H]1CCOC1 84096 [0,1,0,1,0,0|1,0,0]=3 321 B7R1.1 C=CC1CCCC1 T72385 [0,1,0,1,0,0|1,0,1]=4 322 B7R1.1 CC[C@H]1CCCN1 F16886 [0,1,0,1,0,0|1,0,0]=3 323 B7R1.1 CC[C@H]1CCNC1 P14869 [0,1,0,1,0,0|0,0,0]=2 324 B7R1.1 CN[C@H]1CCOC1 P18534 [0,1,0,1,0,0|1,0,0]=3 325 B7R1.1 CN[C@H]1CCOC1 P18535 [0,1,0,1,0,0|1,0,0]=3 326 B7R1.1 CO[C@H]1CCNC1 26935 [0,1,0,1,0,0|0,0,0]=2 327 B7R1.1 CO[C@H]1CCNC1 P10862 [0,1,0,1,0,0|0,0,0]=2 328 B7R1.1 FC[C@H]1CCCN1 37688 [0,1,0,1,0,0|1,0,0]=3 329 B7R1.1 FC[C@H]1CCCN1 P11073 [0,1,0,1,0,0|1,0,0]=3 330 B7R1.1 FC[C@H]1CCNC1 P18731 [0,1,0,1,0,0|0,0,0]=2 331 B7R1.1 N#C[C@@H]1CCCN1 37678 [0,1,0,1,0,0|0,0,2]=4 332 B7R1.1 N#C[C@@H]1CCCN1 68253 [0,1,0,1,0,0|0,0,2]=4 333 B7R1.1 N#C[C@@H]1CCCN1 68254 [0,1,0,1,0,0|0,0,2]=4 334 B7R1.1 N#C[C@@H]1CCCO1 31513 [0,1,0,1,0,0|0,0,2]=4 335 B7R1.1 N#C[C@H]1CCNC1 81493 [0,1,0,1,0,0|0,0,1]=3 336 B7R1.1 N#C[C@H]1CCNC1 81538 [0,1,0,1,0,0|0,0,1]=3 337 B7R1.1 N#C[C@H]1CCNC1 82703 [0,1,0,1,0,0|0,0,1]=3 338 B7R1.1 N#C[C@H]1CCOC1 39230 [0,1,0,1,0,0|0,0,2]=4 339 B7R1.1 N#C[C@H]1CCOC1 P12891 [0,1,0,1,0,0|0,0,2]=4 340 B7R1.1 NCC1CCCC1 P10292 [0,1,0,1,0,0|0,0,0]=2 341 B7R1.1 NC[C@H]1CCCN1 83159 [0,1,0,1,0,0|0,0,0]=2 342 B7R1.1 NC[C@H]1CCCO1 83007 [0,1,0,1,0,0|0,0,0]=2 343 B7R1.1 NC[C@H]1CCCO1 S11127 [0,1,0,1,0,0|0,0,0]=2 344 B7R1.1 NC[C@H]1CCOC1 37316 [0,1,0,1,0,0|0,0,0]=2 345 B7R1.1 NC[C@H]1CCOC1 68891 [0,1,0,1,0,0|0,0,0]=2 346 B7R1.1 NC[C@H]1CCOC1 P12031 [0,1,0,1,0,0|0,0,0]=2 347 B7R1.1 NNC1CCCC1 BL010355 [0,1,0,1,0,0|1,0,0]=3 348 B7R1.1 NOC1CCCC1 97655 [0,1,0,1,0,0|1,0,0]=3 349 B7R1.1 OC[C@H]1CCCO1 66575 [0,1,0,1,0,0|1,0,0]=3 350 B7R1.1 OC[C@H]1CCNC1 24481 [0,1,0,1,0,0|0,0,0]=2 351 B7R1.1 OC[C@H]1CCNC1 29239 [0,1,0,1,0,0|0,0,0]=2 352 B7R1.1 OC[C@H]1CCNC1 30959 [0,1,0,1,0,0|0,0,0]=2 353 B7R1.1 OC[C@H]1CCOC1 37313 [0,1,0,1,0,0|1,0,0]=3 354 B7R1.1 OC[C@H]1CCOC1 37314 [0,1,0,1,0,0|1,0,0]=3 355 B7R1.1 [C-]#[N+]C1CCCC1 T71226 [0,1,0,1,0,0|1,0,1]=4 356 B7R1.2 CN1CCC(=O)C1 64220 [0,1,0,1,0,0|1,0,1]=4 357 B7R1.2 CN1CC[C@H](Br)C1 C14104 [0,1,0,1,0,0|1,0,0]=3 358 B7R1.2 CN1CC[C@H](N)C1 51282 [0,1,0,1,0,0|1,0,0]=3 359 B7R1.2 CN1CC[C@H](N)C1 51289 [0,1,0,1,0,0|1,0,0]=3 360 B7R1.2 CN1CC[C@H](N)C1 FD9067 [0,1,0,1,0,0|1,0,0]=3 361 B7R1.2 C[C@@H]1CNC(=O)C1 P17327 [0,1,0,1,0,0|0,0,1]=3 362 B7R1.2 C[C@@H]1C[C@H](O)CN1 F13013 [0,1,0,1,0,0|1,0,0]=3 363 B7R1.2 C[C@H]1CCC(=O)N1 P20894 [0,1,0,1,0,0|1,0,1]=4 364 B7R1.2 C[C@H]1CCC(=O)N1 P20895 [0,1,0,1,0,0|1,0,1]=4 365 B7R1.2 C[C@H]1CC[C@@H](C)N1 P17782 [0,1,0,1,0,0|1,0,0]=3 366 B7R1.2 C[C@H]1CC[C@H](C)N1 P19223 [0,1,0,1,0,0|1,0,0]=3 367 B7R1.2 C[C@H]1CNC(=O)O1 90054 [0,1,0,1,0,0|1,0,1]=4 368 B7R1.2 NC1CCC(N)C1 D79385 [0,1,0,1,0,0|1,0,0]=3 369 B7R1.2 NC1CCC(O)C1 21055 [0,1,0,1,0,0|1,0,0]=3 370 B7R1.2 NC1CCC(O)C1 26425 [0,1,0,1,0,0|1,0,0]=3 371 B7R1.2 N[C@@H]1CC[C@H](F)C1 P18588 [0,1,0,1,0,0|1,0,0]=3 372 B7R1.2 N[C@@H]1CC[C@H](F)C1 P20484 [0,1,0,1,0,0|1,0,0]=3 373 B7R1.2 N[C@@H]1CC[C@H](O)C1 27526 [0,1,0,1,0,0|1,0,0]=3 374 B7R1.2 N[C@@H]1CC[C@H](O)C1 38967 [0,1,0,1,0,0|1,0,0]=3 375 B7R1.2 N[C@@H]1CC[C@H](O)C1 72087 [0,1,0,1,0,0|1,0,0]=3 376 B7R1.2 N[C@@H]1CC[C@H](O)C1 72088 [0,1,0,1,0,0|1,0,0]=3 377 B7R1.2 N[C@@H]1CC[C@H](O)C1 72349 [0,1,0,1,0,0|1,0,0]=3 378 B7R1.2 N[C@@H]1CC[C@H](O)C1 W11751 [0,1,0,1,0,0|1,0,0]=3 379 B7R1.2 N[C@@H]1CNC(=O)C1 N10626 [0,1,0,1,0,0|1,0,1]=4 380 B7R1.2 N[C@@H]1CNC(=O)C1 P12720 [0,1,0,1,0,0|1,0,1]=4 381 B7R1.2 N[C@H]1CC[C@H](N)C1 F53332 [0,1,0,1,0,0|1,0,0]=3 382 B7R1.2 N[C@H]1CC[C@H](O)C1 27518 [0,1,0,1,0,0|1,0,0]=3 383 B7R1.2 N[C@H]1CC[C@H](O)C1 31093 [0,1,0,1,0,0|1,0,0]=3 384 B7R1.2 N[C@H]1CC[C@H](O)C1 W11748 [0,1,0,1,0,0|1,0,0]=3 385 B7R1.2 O=C1CC[C@H](O)C1 P13127 [0,1,0,1,0,0|2,0,0]=4 386 B7R1.2 O[C@H]1CC[C@@H](O)C1 P16667 [0,1,0,1,0,0|2,0,0]=4 387 B7R1.3 BrC1=CCCNC1 D97153 [0,1,0,1,0,0|1,0,1]=4 388 B7R1.3 C=C1CCNCC1 88914 [0,1,0,1,0,0|0,0,2]=4 389 B7R1.3 CC1=CCNCC1 A11257 [0,1,0,1,0,0|0,0,1]=3 390 B7R1.3 C[C@H]1CCCCN1 C73894 [0,1,0,1,0,0|1,0,0]=3 391 B7R1.3 C[C@H]1CCCNC1 36405 [0,1,0,1,0,0|0,0,0]=2 392 B7R1.3 C[C@H]1CNCCO1 24564 [0,1,0,1,0,0|0,0,0]=2 393 B7R1.3 C[C@H]1CNCCO1 27729 [0,1,0,1,0,0|0,0,0]=2 394 B7R1.3 C[C@H]1CNCCO1 F13460 [0,1,0,1,0,0|0,0,0]=2 395 B7R1.3 C[C@H]1CNCCO1 P11013 [0,1,0,1,0,0|0,0,0]=2 396 B7R1.3 C[C@H]1COCCN1 72593 [0,1,0,1,0,0|1,0,0]=3 397 B7R1.3 FC1=CCNCC1 P20375 [0,1,0,1,0,0|1,0,1]=4 398 B7R1.3 F[C@H]1CCCNC1 37161 [0,1,0,1,0,0|1,0,0]=3 399 B7R1.3 F[C@H]1CCCNC1 37162 [0,1,0,1,0,0|1,0,0]=3 400 B7R1.3 N[C@H]1CCCNC1 C72133 [0,1,0,1,0,0|1,0,0]=3 401 B7R1.3 N[C@H]1CCCOC1 F10442 [0,1,0,1,0,0|2,0,0]=4 402 B7R1.3 O=C1CNCCO1 RB3226 [0,1,0,1,0,0|1,0,1]=4 403 B7R1.3 O[C@@H]1C=CCNC1 S11183 [0,1,0,1,0,0|1,0,1]=4 404 B7R1.3 O[C@@H]1CNCCO1 26254 [0,1,0,1,0,0|1,0,0]=3 405 B7R1.3 O[C@H]1CCCOC1 P10754 [0,1,0,1,0,0|2,0,0]=4 406 B7R1.3 O[C@H]1CCCOC1 P10755 [0,1,0,1,0,0|2,0,0]=4 407 B7R1.3 SC1CCNCC1 39018 [0,1,0,1,0,0|1,0,0]=3 408 B7R1.3 SC1CCOCC1 AT12453 [0,1,0,1,0,0|2,0,0]=4 409 B7R1.3 S[C@H]1CCCNC1 P11853 [0,1,0,1,0,0|1,0,0]=3 410 B7R1.4 Br[C@H]1CCC[C@@H]1Br D97021 [0,1,0,1,0,0|2,0,0]=4 411 B7R1.4 CC1CNCC1C P18713 [0,1,0,1,0,0|0,0,0]=2 412 B7R1.4 CN1CCN=C1N W16176 [0,1,0,1,0,0|1,0,1]=4 413 B7R1.4 CN1CCNC1=O 81682 [0,1,0,1,0,0|1,0,1]=4 414 B7R1.4 C[C@@H]1CCC[C@@H]1N 72991 [0,1,0,1,0,0|0,0,0]=2 415 B7R1.4 C[C@@H]1CCC[C@@H]1O 72407 [0,1,0,1,0,0|1,0,0]=3 416 B7R1.4 C[C@@H]1CNC[C@@H]1F 73104 [0,1,0,1,0,0|0,0,0]=2 417 B7R1.4 C[C@@H]1CNC[C@@H]1N F13008 [0,1,0,1,0,0|0,0,0]=2 418 B7R1.4 C[C@@H]1CNC[C@@H]1O 72981 [0,1,0,1,0,0|0,0,0]=2 419 B7R1.4 C[C@H]1CCC[C@@H]1O 71002 [0,1,0,1,0,0|1,0,0]=3 420 B7R1.4 C[C@H]1CNC[C@@H]1O 72668 [0,1,0,1,0,0|0,0,0]=2 421 B7R1.4 C[C@H]1COC[C@@H]1N P16382 [0,1,0,1,0,0|0,0,0]=2 422 B7R1.4 C[C@H]1COC[C@@H]1O 73077 [0,1,0,1,0,0|1,0,0]=3 423 B7R1.4 F[C@H]1CNC[C@H]1F 83249 [0,1,0,1,0,0|1,0,0]=3 424 B7R1.4 NC1CCCC1N F16273 [0,1,0,1,0,0|1,0,0]=3 425 B7R1.4 NC1COCC1O O11159 [0,1,0,1,0,0|1,0,0]=3 426 B7R1.4 N[C@@H]1CCC[C@@H]1O P10925 [0,1,0,1,0,0|1,0,0]=3 427 B7R1.4 N[C@@H]1COC[C@@H]1F W12424 [0,1,0,1,0,0|1,0,0]=3 428 B7R1.4 N[C@@H]1COC[C@@H]1N P15675 [0,1,0,1,0,0|1,0,0]=3 429 B7R1.4 N[C@@H]1COC[C@@H]1O F53671 [0,1,0,1,0,0|1,0,0]=3 430 B7R1.4 N[C@@H]1COC[C@@H]1O P12686 [0,1,0,1,0,0|1,0,0]=3 431 B7R1.4 N[C@H]1CCC[C@@H]1F P17786 [0,1,0,1,0,0|1,0,0]=3 432 B7R1.4 N[C@H]1CCC[C@@H]1N F16352 [0,1,0,1,0,0|1,0,0]=3 433 B7R1.4 N[C@H]1CCC[C@@H]1O 71753 [0,1,0,1,0,0|1,0,0]=3 434 B7R1.4 N[C@H]1CCC[C@H]1N I12005 [0,1,0,1,0,0|1,0,0]=3 435 B7R1.4 N[C@H]1CCNC1=O 51276 [0,1,0,1,0,0|1,0,1]=4 436 B7R1.4 N[C@H]1CCNC1=O 51277 [0,1,0,1,0,0|1,0,1]=4 437 B7R1.4 N[C@H]1CCNC1=O 51278 [0,1,0,1,0,0|1,0,1]=4 438 B7R1.4 N[C@H]1CCNC1=O F14678 [0,1,0,1,0,0|1,0,1]=4 439 B7R1.4 N[C@H]1CCSC1=O O10218 [0,1,0,1,0,0|1,0,1]=4 440 B7R1.4 N[C@H]1CNC[C@@H]1F D72106 [0,1,0,1,0,0|1,0,0]=3 441 B7R1.4 N[C@H]1COC[C@@H]1F W12730 [0,1,0,1,0,0|1,0,0]=3 442 B7R1.4 N[C@H]1COC[C@@H]1N 37783 [0,1,0,1,0,0|1,0,0]=3 443 B7R1.4 N[C@H]1COC[C@@H]1N 37786 [0,1,0,1,0,0|1,0,0]=3 444 B7R1.4 N[C@H]1COC[C@@H]1N P15676 [0,1,0,1,0,0|1,0,0]=3 445 B7R1.4 N[C@H]1COC[C@@H]1O 71841 [0,1,0,1,0,0|1,0,0]=3 446 B7R1.4 N[C@H]1COC[C@@H]1O P12486 [0,1,0,1,0,0|1,0,0]=3 447 B7R1.4 N[C@H]1COC[C@@H]1O P15828 [0,1,0,1,0,0|1,0,0]=3 448 B7R1.4 O=C1NCC[C@@H]1Br 78555 [0,1,0,1,0,0|1,0,1]=4 449 B7R1.4 O[C@@H]1CNC[C@@H]1F 72988 [0,1,0,1,0,0|1,0,0]=3 450 B7R1.4 O[C@H]1CNC[C@@H]1F 38827 [0,1,0,1,0,0|1,0,0]=3 451 B7R1.4 O[C@H]1CNC[C@@H]1F P15834 [0,1,0,1,0,0|1,0,0]=3 452 B7R1.4 O[C@H]1CNC[C@@H]1O 39002 [0,1,0,1,0,0|1,0,0]=3 453 B7R1.4 O[C@H]1CNC[C@@H]1O P15707 [0,1,0,1,0,0|1,0,0]=3 454 B7R1.4 O[C@H]1COC[C@@H]1F 73076 [0,1,0,1,0,0|2,0,0]=4 455 B7R1.4 O[C@H]1COC[C@@H]1O 66690 [0,1,0,1,0,0|2,0,0]=4 456 B7R1.6 C=CCC1CNC1 P14594 [0,1,0,1,0,0|0,0,1]=3 457 B7R1.6 CCNC1CCC1 W19308 [0,1,0,1,0,0|1,0,0]=3 458 B7R1.6 CCNC1COC1 32797 [0,1,0,1,0,0|1,0,0]=3 459 B7R1.6 CCOC1CNC1 C16603 [0,1,0,1,0,0|0,0,0]=2 460 B7R1.6 CNCC1COC1 32854 [0,1,0,1,0,0|1,0,0]=3 461 B7R1.6 CNC[C@H]1CCO1 D96714 [0,1,0,1,0,0|1,0,0]=3 462 B7R1.6 COCC1CNC1 36064 [0,1,0,1,0,0|0,0,0]=2 463 B7R1.6 COCC1CNC1 37073 [0,1,0,1,0,0|0,0,0]=2 464 B7R1.6 COC[C@H]1CCN1 38829 [0,1,0,1,0,0|2,0,0]=4 465 B7R1.6 COC[C@H]1CCN1 P15803 [0,1,0,1,0,0|2,0,0]=4 466 B7R1.6 N#CCC1CCC1 55430 [0,1,0,1,0,0|0,0,1]=3 467 B7R1.6 N#CCC1CNC1 P14687 [0,1,0,1,0,0|0,0,1]=3 468 B7R1.6 N#CCC1COC1 D79136 [0,1,0,1,0,0|1,0,1]=4 469 B7R1.6 NCCC1CCC1 P10851 [0,1,0,1,0,0|0,0,0]=2 470 B7R1.6 NCCC1COC1 85783 [0,1,0,1,0,0|1,0,0]=3 471 B7R1.6 NNCC1CCC1 P12716 [0,1,0,1,0,0|0,0,0]=2 472 B7R1.6 O=CCC1CCC1 55432 [0,1,0,1,0,0|1,0,0]=3 473 B7R1.6 O=CCC1COC1 CS2316 [0,1,0,1,0,0|1,0,1]=4 474 B7R1.6 OCCC1CCC1 32129 [0,1,0,1,0,0|1,0,0]=3 475 B7R1.6 OCCC1CNC1 P16512 [0,1,0,1,0,0|0,0,0]=2 476 B7R1.6 OCCC1COC1 32759 [0,1,0,1,0,0|1,0,0]=3 477 B7R1.6 OCCN1CCC1 70839 [0,1,0,1,0,0|2,0,0]=4 478 B7R1.6 OCC[C@H]1CCO1 P17680 [0,1,0,1,0,0|2,0,0]=4 479 B7R1.8 CC1NCC1C#N D96740 [0,1,0,1,0,0|0,0,1]=3 480 B7R1.8 CN1CC[C@@H]1CN P15857 [0,1,0,1,0,0|0,0,0]=2 481 B7R1.8 CN1CC[C@@H]1CO 63438 [0,1,0,1,0,0|1,0,0]=3 482 B7R1.8 CN1CC[C@@H]1CO AT17142 [0,1,0,1,0,0|1,0,0]=3 483 B7R1.8 CN1CC[C@@H]1CO P18351 [0,1,0,1,0,0|1,0,0]=3 484 B7R1.8 CO[C@H]1CCC1=O P17941 [0,1,0,1,0,0|1,0,1]=4 485 B7R1.8 O=C1CC[C@@H]1CO P13853 [0,1,0,1,0,0|1,0,1]=4 486 B7R1.9 NCC1CC1CO C14991 [0,1,0,1,0,0|0,0,0]=2 487 B7R1.9 NC[C@H]1C[C@@H]1CN D79389 [0,1,0,1,0,0|0,0,0]=2 488 B7R1.9 OC[C@H]1C[C@H]1CO P16470 [0,1,0,1,0,0|1,0,0]=3 489 B7R1.10 C=C1CC(CO)C1 D79070 [0,1,0,1,0,0|1,0,1]=4 490 B7R1.10 CC1CC(CN)C1 72944 [0,1,0,1,0,0|0,0,0]=2 491 B7R1.10 CN1CC(CN)C1 37075 [0,1,0,1,0,0|0,0,0]=2 492 B7R1.10 CN1CC(CO)C1 P17862 [0,1,0,1,0,0|1,0,0]=3 493 B7R1.10 CNC1CC(C)C1 72947 [0,1,0,1,0,0|2,0,0]=4 494 B7R1.10 CNC1CC(O)C1 37731 [0,1,0,1,0,0|2,0,0]=4 495 B7R1.10 CNC1CN(C)C1 38831 [0,1,0,1,0,0|1,0,0]=3 496 B7R1.10 CN[C@H]1C[C@@H](O)C1 P13897 [0,1,0,1,0,0|2,0,0]=4 497 B7R1.10 CN[C@H]1C[C@H](O)C1 38892 [0,1,0,1,0,0|2,0,0]=4 498 B7R1.10 COC1CC(=O)C1 P12741 [0,1,0,1,0,0|2,0,0]=4 499 B7R1.10 COC1CC(N)C1 37221 [0,1,0,1,0,0|1,0,0]=3 500 B7R1.10 COC1CC(O)C1 R10063 [0,1,0,1,0,0|2,0,0]=4 501 B7R1.10 CO[C@H]1C[C@@H](N)C1 39167 [0,1,0,1,0,0|1,0,0]=3 502 B7R1.10 CO[C@H]1C[C@H](N)C1 39168 [0,1,0,1,0,0|1,0,0]=3 503 B7R1.10 N#CC1CC(I)C1 AT12394 [0,1,0,1,0,0|0,0,2]=4 504 B7R1.10 N#CC1CC(N)C1 37826 [0,1,0,1,0,0|0,0,2]=4 505 B7R1.10 N#C[C@H]1C[C@@H](N)C1 P16656 [0,1,0,1,0,0|0,0,2]=4 506 B7R1.10 N#C[C@H]1C[C@@H](O)C1 39462 [0,1,0,1,0,0|0,0,2]=4 507 B7R1.10 N#C[C@H]1C[C@H](N)C1 P17914 [0,1,0,1,0,0|0,0,2]=4 508 B7R1.10 NCC1CC(F)C1 38649 [0,1,0,1,0,0|0,0,0]=2 509 B7R1.10 NCC1CC(O)C1 37219 [0,1,0,1,0,0|0,0,0]=2 510 B7R1.10 NC[C@H]1C[C@H](O)C1 37659 [0,1,0,1,0,0|0,0,0]=2 511 B7R1.10 N[C@H]1C[C@@H](CO)C1 29808 [0,1,0,1,0,0|1,0,0]=3 512 B7R1.10 N[C@H]1C[C@@H](CO)C1 37494 [0,1,0,1,0,0|1,0,0]=3 513 B7R1.10 N[C@H]1C[C@H](CO)C1 37495 [0,1,0,1,0,0|1,0,0]=3 514 B7R1.10 O=C1CC(CBr)C1 39031 [0,1,0,1,0,0|1,0,1]=4 515 B7R1.10 O=C1CC(CCl)C1 P11243 [0,1,0,1,0,0|1,0,1]=4 516 B7R1.10 OCC1CC(F)C1 72453 [0,1,0,1,0,0|1,0,0]=3 517 B7R1.10 OCC1CC(O)C1 N10548 [0,1,0,1,0,0|1,0,0]=3 518 B7R1.10 O[C@H]1C[C@@H](CF)C1 P21066 [0,1,0,1,0,0|1,0,0]=3 519 B7R1.21 CC1(CCO)CC1 P14058 [0,1,0,1,0,0|1,0,0]=3 520 B7R1.21 CC1(CCO)N=N1 F18261 [0,1,0,1,0,0|1,0,1]=4 521 B7R1.21 CCOC1(O)CC1 O10402 [0,1,0,1,0,0|2,0,0]=4 522 B7R1.22 N[C@@H](CO)C1CC1 N11217 [0,1,0,1,0,0|2,0,0]=4 523 B7R1.22 N[C@@H](CO)C1CC1 P18914 [0,1,0,1,0,0|2,0,0]=4 524 B7R1.22 N[C@@H](CO)C1CC1 Y14567 [0,1,0,1,0,0|2,0,0]=4 525 B7R1.25 C#CC1(C)COC1 32903 [0,1,0,1,0,0|1,0,1]=4 526 B7R1.25 C#CC1(O)CNC1 P13546 [0,1,0,1,0,0|0,0,2]=4 527 B7R1.25 CC1(C#N)COC1 39057 [0,1,0,1,0,0|0,0,2]=4 528 B7R1.25 CC1(CF)CNC1 D79152 [0,1,0,1,0,0|1,0,0]=3 529 B7R1.25 CC1(CN)CNC1 80498 [0,1,0,1,0,0|0,0,0]=2 530 B7R1.25 CC1(CO)CCC1 90942 [0,1,0,1,0,0|1,0,0]=3 531 B7R1.25 CC1(CO)CNC1 73126 [0,1,0,1,0,0|1,0,0]=3 532 B7R1.25 CCC1(C)CNC1 D79218 [0,1,0,1,0,0|0,0,0]=2 533 B7R1.25 CCC1(F)CNC1 D79682 [0,1,0,1,0,0|0,0,0]=2 534 B7R1.25 CCC1(N)COC1 32880 [0,1,0,1,0,0|1,0,0]=3 535 B7R1.25 CCC1(O)COC1 69107 [0,1,0,1,0,0|1,0,0]=3 536 B7R1.25 CNC1(C)COC1 39042 [0,1,0,1,0,0|2,0,0]=4 537 B7R1.25 C[C@]1(CN)CCO1 D79679 [0,1,0,1,0,0|0,0,0]=2 538 B7R1.25 C[C@]1(CN)CCO1 P20357 [0,1,0,1,0,0|0,0,0]=2 539 B7R1.25 C[C@]1(CO)CCN1 P18401 [0,1,0,1,0,0|1,0,0]=3 540 B7R1.25 FC1(CBr)COC1 32850 [0,1,0,1,0,0|2,0,0]=4 541 B7R1.25 N#CC1(N)CCC1 72155 [0,1,0,1,0,0|0,0,2]=4 542 B7R1.25 N#CC1(O)CCC1 F50564 [0,1,0,1,0,0|0,0,2]=4 543 B7R1.25 NC1(CF)COC1 P18909 [0,1,0,1,0,0|2,0,0]=4 544 B7R1.25 NC1(CO)CCC1 P11244 [0,1,0,1,0,0|1,0,0]=3 545 B7R1.25 NC1(CO)COC1 32838 [0,1,0,1,0,0|2,0,0]=4 546 B7R1.25 NCC1(F)CCC1 85743 [0,1,0,1,0,0|0,0,0]=2 547 B7R1.25 NCC1(F)COC1 32924 [0,1,0,1,0,0|1,0,0]=3 548 B7R1.25 NCC1(O)CCC1 27372 [0,1,0,1,0,0|0,0,0]=2 549 B7R1.25 NCC1(O)COC1 32889 [0,1,0,1,0,0|1,0,0]=3 550 B7R1.25 OC1(CF)CNC1 P18473 [0,1,0,1,0,0|1,0,0]=3 551 B7R1.25 OCC1(F)CCC1 85746 [0,1,0,1,0,0|1,0,0]=3 552 B7R1.25 OCC1(F)COC1 32840 [0,1,0,1,0,0|2,0,0]=4 553 B7R1.25 OCC1(O)CCC1 AT20135 [0,1,0,1,0,0|1,0,0]=3 554 B7R1.25 OCC1(O)CNC1 P15456 [0,1,0,1,0,0|1,0,0]=3 555 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O P12613 [0,1,0,1,0,0|1,0,1]=4 556 B7R1.12 C[C@H]1C[C@@H]1C(=O)O 72828 [0,1,0,1,0,0|1,0,1]=4 557 B7R1.17 CC1(C)CC[C@@H]1N AT10475 [0,1,0,1,0,0|0,0,0]=2 558 B7R1.17 C[C@@H]1NCC1(F)F D79133 [0,1,0,1,0,0|1,0,0]=3 559 B7R1.17 C[C@@H]1NCC1(F)F P20356 [0,1,0,1,0,0|1,0,0]=3 560 B7R1.18 CC(=O)C1COC1 79962 [0,1,0,1,0,0|1,0,1]=4 561 B7R1.18 CC(C)C1CNC1 D79219 [0,1,0,1,0,0|0,0,0]=2 562 B7R1.18 CN(C)C1CNC1 P16271 [0,1,0,1,0,0|1,0,0]=3 563 B7R1.18 C[C@H](N)C1CCC1 93060 [0,1,0,1,0,0|0,0,0]=2 564 B7R1.18 C[C@H](N)C1CCC1 93062 [0,1,0,1,0,0|0,0,0]=2 565 B7R1.18 C[C@H](O)C1COC1 P18451 [0,1,0,1,0,0|1,0,0]=3 566 B7R1.18 FC(F)C1CNC1 P13128 [0,1,0,1,0,0|1,0,0]=3 567 B7R1.18 NC(=O)C1CCC1 20365 [0,1,0,1,0,0|0,0,1]=3 568 B7R1.18 NC(=O)[C@@H]1CCN1 20741 [0,1,0,1,0,0|1,0,1]=4 569 B7R1.18 NC(=O)[C@@H]1CCN1 21273 [0,1,0,1,0,0|1,0,1]=4 570 B7R1.18 O=[N+]([O-])C1CCC1 30647 [0,1,0,1,0,0|2,0,0]=4 571 B7R1.19 CC(C)C1(O)CC1 P17163 [0,1,0,1,0,0|2,0,0]=4 572 B7R1.19 NC(=O)C1(Br)CC1 D85812 [0,1,0,1,0,0|1,0,1]=4 573 B7R1.19 NC(=O)C1(N)CC1 72646 [0,1,0,1,0,0|1,0,1]=4 574 B7R1.19 NC(=O)C1(N)CC1 P15295 [0,1,0,1,0,0|1,0,1]=4 575 B7R1.14 CC1(Br)CCCC1 P19649 [0,1,0,1,0,0|1,0,0]=3 576 B7R1.14 CC1(C)CCCN1 71736 [0,1,0,1,0,0|2,0,0]=4 577 B7R1.14 CC1(C)CCCN1 71895 [0,1,0,1,0,0|2,0,0]=4 578 B7R1.14 CC1(C)CCNC1 28371 [0,1,0,1,0,0|0,0,0]=2 579 B7R1.14 CC1(C)COCN1 FD10630 [0,1,0,1,0,0|2,0,0]=4 580 B7R1.14 CC1(N)CCCC1 90423 [0,1,0,1,0,0|1,0,0]=3 581 B7R1.14 C[C@]1(F)CCNC1 P15373 [0,1,0,1,0,0|0,0,0]=2 582 B7R1.14 C[C@]1(N)CCOC1 38927 [0,1,0,1,0,0|1,0,0]=3 583 B7R1.14 C[C@]1(O)CCNC1 D96498 [0,1,0,1,0,0|0,0,0]=2 584 B7R1.14 C[C@]1(O)CCOC1 69114 [0,1,0,1,0,0|1,0,0]=3 585 B7R1.29 BrCC1(CBr)CC1 A10555 [0,1,0,1,0,0|1,0,0]=3 586 B7R1.29 C#CC1(CC)CC1 P17598 [0,1,0,1,0,0|1,0,1]=4 587 B7R1.29 CCC1(CN)CC1 W19007 [0,1,0,1,0,0|0,0,0]=2 588 B7R1.29 COC1(CO)CC1 92149 [0,1,0,1,0,0|1,0,0]=3 589 B7R1.29 N#CC1(CO)CC1 80646 [0,1,0,1,0,0|0,0,2]=4 590 B7R1.29 OCC1(CF)CC1 32156 [0,1,0,1,0,0|1,0,0]=3 591 B7R2.11 C1NC2CC1C2 37897 [0,0,0,2,0,0|0,0,0]=2 592 B7R2.13 C1CC2CC2N1 33368 [0,0,0,2,0,0|0,0,0]=2 593 B7R2.13 C1NCC2CC12 80426 [0,0,0,2,0,0|0,0,0]=2 594 B7R2.16 C1CC12CNC2 87106 [0,0,0,2,0,0|0,0,0]=2