0 B5R0.3 C=C(C#N)CO W19656 [0,0,0,0,0,0|1,0,3]=4 1 B5R0.3 C=C[C@@H](N)CO 52208 [0,0,0,0,0,0|1,0,2]=3 2 B5R0.3 C=C[C@@H](N)CO 52209 [0,0,0,0,0,0|1,0,2]=3 3 B5R0.3 C=C[C@@H](N)CO 52211 [0,0,0,0,0,0|1,0,2]=3 4 B5R0.3 C=C[C@@H](O)CO 56500 [0,0,0,0,0,0|1,0,2]=3 5 B5R0.3 C=C[C@H](C)ON F31247 [0,0,0,0,0,0|2,0,2]=4 6 B5R0.3 CCC(=O)CN S11993 [0,0,0,0,0,0|2,0,1]=3 7 B5R0.3 CC[C@H](C)CN 88665 [0,0,0,0,0,0|1,0,0]=1 8 B5R0.3 CC[C@H](N)C#N 98383 [0,0,0,0,0,0|2,0,1]=3 9 B5R0.3 CC[PH](=O)CC C77650 [0,0,0,0,0,0|3,0,0]=3 10 B5R0.3 CN[C@@H](C)CO AC8719 [0,0,0,0,0,0|1,0,0]=1 11 B5R0.3 CN[C@@H](C)CO C77593 [0,0,0,0,0,0|1,0,0]=1 12 B5R0.3 CN[C@@H](C)CO D80042 [0,0,0,0,0,0|1,0,0]=1 13 B5R0.3 CN[C@@H](C)CO D80344 [0,0,0,0,0,0|1,0,0]=1 14 B5R0.3 CN[C@@H](C)CO D82586 [0,0,0,0,0,0|1,0,0]=1 15 B5R0.3 CO[C@@H](C)CN 91001 [0,0,0,0,0,0|2,0,0]=2 16 B5R0.3 CO[C@@H](C)CO 91002 [0,0,0,0,0,0|1,0,0]=1 17 B5R0.3 C[C@@H](CN)CCl 72948 [0,0,0,0,0,0|2,0,0]=2 18 B5R0.3 C[C@@H](CO)CBr AB3182 [0,0,0,0,0,0|1,0,0]=1 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|3,0,0]=3 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|3,0,0]=3 25 B5R0.3 NC[C@H](O)CF 94771 [0,0,0,0,0,0|3,0,0]=3 26 B5R0.3 OC[C@H](O)CF 65949 [0,0,0,0,0,0|2,0,0]=2 27 B5R0.3 OC[C@H](O)CF F14582 [0,0,0,0,0,0|2,0,0]=2 28 B4R0.1 C#C[C@H](C)N AB1311 [1,0,0,0,0,0|1,0,2]=4 29 B4R0.1 C#C[C@H](C)N F31055 [1,0,0,0,0,0|1,0,2]=4 30 B4R0.1 C=C[C@H](C)N 81150 [1,0,0,0,0,0|1,0,2]=4 31 B4R0.1 C=C[C@H](C)N C77628 [1,0,0,0,0,0|1,0,2]=4 32 B4R0.1 C=C[C@H](C)N N11410 [1,0,0,0,0,0|1,0,2]=4 33 B4R0.1 CC(C)CBr P19652 [1,0,0,0,0,0|1,0,0]=2 34 B4R0.1 CC[C@H](C)N 74047 [1,0,0,0,0,0|1,0,0]=2 35 B4R0.1 C[C@H](Br)CN F11189 [1,0,0,0,0,0|2,0,0]=3 36 B4R0.1 C[C@H](Br)CO W17591 [1,0,0,0,0,0|1,0,0]=2 37 B4R0.1 C[C@H](Cl)CN Y14715 [1,0,0,0,0,0|2,0,0]=3 38 B4R0.1 C[C@H](N)C#N I11084 [1,0,0,0,0,0|2,0,1]=4 39 B4R0.1 C[C@H](N)CF AC1136 [1,0,0,0,0,0|2,0,0]=3 40 B4R0.1 C[C@H](N)CF AC6177 [1,0,0,0,0,0|2,0,0]=3 41 B4R0.1 C\C=C(\C)Br D93160 [1,0,0,0,0,0|1,0,2]=4 42 B4R0.1 N=C(N)CO 20678 [1,0,0,0,0,0|2,0,1]=4 43 B4R0.1 NCC(=O)O A10882 [1,0,0,0,0,0|2,0,1]=4 44 B4R0.1 NCC(=O)O T72551 [1,0,0,0,0,0|2,0,1]=4 45 B4R0.1 NCC(F)F C16390 [1,0,0,0,0,0|3,0,0]=4 46 B4R0.2 BrCCCBr D77913 [1,0,0,0,0,0|2,0,0]=3 47 B4R0.2 BrCOCBr AC2225 [1,0,0,0,0,0|3,0,0]=4 48 B4R0.2 C#CCCCl C77663 [1,0,0,0,0,0|1,0,2]=4 49 B4R0.2 C#CCCI AC1965 [1,0,0,0,0,0|1,0,2]=4 50 B4R0.2 C#CCCN 31177 [1,0,0,0,0,0|1,0,2]=4 51 B4R0.2 C#CCCN 68194 [1,0,0,0,0,0|1,0,2]=4 52 B4R0.2 CCCCN T70838 [1,0,0,0,0,0|1,0,0]=2 53 B4R0.2 CCONC AT14498 [1,0,0,0,0,0|3,0,0]=4 54 B4R0.2 COCCI A50601 [1,0,0,0,0,0|2,0,0]=3 55 B4R0.2 CSCCN D73275 [1,0,0,0,0,0|2,0,0]=3 56 B4R0.2 NCCCF 61303 [1,0,0,0,0,0|2,0,0]=3 57 B4R0.2 NCCCN T70045 [1,0,0,0,0,0|2,0,0]=3 58 B4R0.2 NCCCS A11074 [1,0,0,0,0,0|1,1,0]=3 59 B4R0.2 OCCCO D77845 [1,0,0,0,0,0|1,0,0]=2 60 B4R0.2 OCCCS D78398 [1,0,0,0,0,0|1,0,0]=2 61 B4R0.2 SCCCBr 77989 [1,0,0,0,0,0|1,1,0]=3 62 B6R0.1 C=CC[C@H](N)CO F16846 [0,1,0,0,0,0|1,0,1]=3 63 B6R0.1 CCC[C@@H](Br)CC D78429 [0,1,0,0,0,0|2,0,0]=3 64 B6R0.1 CCC[C@H](N)CO C13482 [0,1,0,0,0,0|1,0,0]=2 65 B6R0.1 CCNC(=O)CO 79517 [0,1,0,0,0,0|1,0,1]=3 66 B6R0.1 CCO[C@@H](C)CO 91003 [0,1,0,0,0,0|0,0,0]=1 67 B6R0.1 CC[C@H](S)CCO D84734 [0,1,0,0,0,0|1,0,0]=2 68 B6R0.1 CNC(=O)CCO AC6610 [0,1,0,0,0,0|2,0,1]=4 69 B6R0.1 COC[C@@H](O)CN 94767 [0,1,0,0,0,0|2,0,0]=3 70 B6R0.1 NCC[C@H](O)CO F51073 [0,1,0,0,0,0|1,0,0]=2 71 B6R0.1 N[C@H](CO)CCO AB10026 [0,1,0,0,0,0|1,0,0]=2 72 B6R0.1 N[C@H](CO)CCO AB10027 [0,1,0,0,0,0|1,0,0]=2 73 B6R0.1 N[C@H](CS)CCS F52529 [0,1,0,0,0,0|1,1,0]=3 74 B6R0.3 C=C(I)[C@@H](C)CI 27069 [0,1,0,0,0,0|1,0,2]=4 75 B6R0.3 C=C[C@H](C)C(=O)O T72590 [0,1,0,0,0,0|0,0,3]=4 76 B6R0.3 CC(C)C(=O)CCl D94573 [0,1,0,0,0,0|2,0,1]=4 77 B6R0.3 CC(C)[C@@H](C)CO D93394 [0,1,0,0,0,0|0,0,0]=1 78 B6R0.3 CCN(C)C(C)=O F19909 [0,1,0,0,0,0|1,0,2]=4 79 B6R0.3 CC[C@H](C)C(=O)O 88659 [0,1,0,0,0,0|0,0,1]=2 80 B6R0.3 CC[C@H](N)C(N)=O I10243 [0,1,0,0,0,0|1,0,2]=4 81 B6R0.3 CC[C@H](N)[C@@H](C)O N14663 [0,1,0,0,0,0|1,0,0]=2 82 B6R0.3 C[C@@H](CN)C(=O)O F15101 [0,1,0,0,0,0|1,0,1]=3 83 B6R0.3 C[C@@H](CN)C(=O)O F15242 [0,1,0,0,0,0|1,0,1]=3 84 B6R0.3 C[C@@H](CO)C(=O)O FD6004 [0,1,0,0,0,0|1,0,1]=3 85 B6R0.3 C[C@H](C#N)C(=O)O C75969 [0,1,0,0,0,0|1,0,2]=4 86 B6R0.3 C[C@H](ON)C(=O)O AT14512 [0,1,0,0,0,0|2,0,1]=4 87 B6R0.3 C[C@H](ON)C(=O)O Y13476 [0,1,0,0,0,0|2,0,1]=4 88 B6R0.3 C\C=C(\C)B(O)O A50050 [0,1,0,0,0,0|1,0,2]=4 89 B6R0.3 NC(=O)[C@@H](N)CO D75098 [0,1,0,0,0,0|2,0,1]=4 90 B6R0.3 NC[C@H](F)C(=O)O T73016 [0,1,0,0,0,0|2,0,1]=4 91 B6R0.3 NC[C@H](O)C(=O)O O10173 [0,1,0,0,0,0|2,0,1]=4 92 B6R0.3 N[C@@H](CCl)C(=O)O FD21124 [0,1,0,0,0,0|2,0,1]=4 93 B6R0.3 O=C(O)[C@@H](Br)CO A10085 [0,1,0,0,0,0|2,0,1]=4 94 B6R0.3 O=C(O)[C@@H](Br)CO AB19244 [0,1,0,0,0,0|2,0,1]=4 95 B6R0.3 O=C(O)[C@@H](O)CCl 84142 [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|0,0,2]=3 98 B6R0.8 CC(C)(C=O)CCl C90225 [0,1,0,0,0,0|1,0,2]=4 99 B6R0.8 CC(O)(CO)CO AC1642 [0,1,0,0,0,0|1,0,0]=2 100 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|1,0,1]=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|3,0,0]=4 104 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|1,0,1]=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|2,0,1]=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|1,0,2]=4 111 B6R1.2 C[C@H]1CCNC1 69327 [0,0,0,1,0,0|1,0,0]=2 112 B6R1.2 C[C@H]1CCSC1 70016 [0,0,0,1,0,0|0,1,0]=2 113 B6R1.2 Cl[C@H]1CCNC1 W15835 [0,0,0,1,0,0|2,0,0]=3 114 B6R1.2 Cl[C@H]1CCOC1 N12419 [0,0,0,1,0,0|1,0,0]=2 115 B6R1.2 F[C@H]1CCNC1 P10396 [0,0,0,1,0,0|2,0,0]=3 116 B6R1.2 F[C@H]1CCNC1 P10397 [0,0,0,1,0,0|2,0,0]=3 117 B6R1.2 IC1=COCC1 P19286 [0,0,0,1,0,0|1,0,2]=4 118 B6R1.2 I[C@H]1CCOC1 37310 [0,0,0,1,0,0|1,0,0]=2 119 B6R1.2 I[C@H]1CCOC1 37311 [0,0,0,1,0,0|1,0,0]=2 120 B6R1.2 NN1CCCC1 F13227 [0,0,0,1,0,0|3,0,0]=4 121 B6R1.2 NN1CCCC1 S12058 [0,0,0,1,0,0|3,0,0]=4 122 B6R1.2 N[C@H]1CCSC1 70834 [0,0,0,1,0,0|1,1,0]=3 123 B6R1.2 O[C@H]1CCSC1 50208 [0,0,0,1,0,0|1,1,0]=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|2,0,0]=3 126 B6R1.4 CC1OCC1O P16543 [0,0,0,1,0,0|1,0,0]=2 127 B6R1.4 C[C@@H]1OCC1=O P16003 [0,0,0,1,0,0|1,0,1]=3 128 B6R1.4 C[C@H]1CCC1=O W18267 [0,0,0,1,0,0|0,0,2]=3 129 B6R1.4 C[C@H]1CNC1=O P20594 [0,0,0,1,0,0|1,0,2]=4 130 B6R1.4 C[C@H]1NC[C@@H]1F P20392 [0,0,0,1,0,0|2,0,0]=3 131 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|2,0,0]=3 134 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|1,0,2]=4 137 B6R1.4 OC1CCC1O D79179 [0,0,0,1,0,0|1,0,0]=2 138 B6R1.4 O[C@H]1CC[C@@H]1O P21043 [0,0,0,1,0,0|1,0,0]=2 139 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|2,0,0]=3 145 B6R1.6 FCC1CNC1 86811 [0,0,0,1,0,0|2,0,0]=3 146 B6R1.6 N#CC1CNC1 CS1269 [0,0,0,1,0,0|2,0,1]=4 147 B6R1.6 N#CC1COC1 81313 [0,0,0,1,0,0|1,0,1]=3 148 B6R1.6 N#C[C@@H]1CCN1 P18399 [0,0,0,1,0,0|2,0,1]=4 149 B6R1.6 NCC1CNC1 26899 [0,0,0,1,0,0|2,0,0]=3 150 B6R1.6 NC[C@H]1CCN1 20184 [0,0,0,1,0,0|2,0,0]=3 151 B6R1.6 NC[C@H]1CCO1 P20441 [0,0,0,1,0,0|2,0,0]=3 152 B6R1.6 NNC1CCC1 AB1362 [0,0,0,1,0,0|2,0,0]=3 153 B6R1.6 NNC1CCC1 BL010353 [0,0,0,1,0,0|2,0,0]=3 154 B6R1.6 NNC1CNC1 BL010350 [0,0,0,1,0,0|3,0,0]=4 155 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|2,1,0]=4 157 B6R1.6 O=CC1COC1 84841 [0,0,0,1,0,0|1,0,1]=3 158 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|1,0,0]=2 160 B6R1.6 OC[C@H]1CCN1 38353 [0,0,0,1,0,0|1,0,0]=2 161 B6R1.6 OC[C@H]1CCN1 38354 [0,0,0,1,0,0|1,0,0]=2 162 B6R1.6 OC[C@H]1CCO1 26540 [0,0,0,1,0,0|1,0,0]=2 163 B6R1.6 OC[C@H]1CCO1 AT10832 [0,0,0,1,0,0|1,0,0]=2 164 B6R1.6 OC[C@H]1CCO1 P19736 [0,0,0,1,0,0|1,0,0]=2 165 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|1,0,0]=2 167 B6R1.7 CC1(CO)N=N1 F18398 [0,0,0,1,0,0|2,0,0]=3 168 B6R1.7 C[C@]1(CO)CO1 95575 [0,0,0,1,0,0|1,0,0]=2 169 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|1,0,0]=2 171 B6R1.7 NCC1(O)CC1 AC3228 [0,0,0,1,0,0|2,0,0]=3 172 B6R1.7 OCC1(F)CC1 72692 [0,0,0,1,0,0|1,0,0]=2 173 B6R1.7 OCC1(O)CC1 72268 [0,0,0,1,0,0|1,0,0]=2 174 B6R1.8 C[C@H]1C[C@@H]1CO 72702 [0,0,0,1,0,0|0,0,0]=1 175 B6R1.8 OC[C@H]1C[C@@H]1F CS3459 [0,0,0,1,0,0|1,0,0]=2 176 B3R0.1 CCNN D79778 [2,0,0,0,0,0|2,0,0]=4 177 B3R0.1 CCON C13232 [2,0,0,0,0,0|2,0,0]=4 178 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|2,0,0]=4 181 B3R0.1 NCCN T72722 [2,0,0,0,0,0|2,0,0]=4 182 B3R0.2 CC(Br)Br D78418 [2,0,0,0,0,0|2,0,0]=4 183 B3R0.2 C[13C](=O)O 41422 [2,0,0,0,0,0|1,0,1]=4 184 B3R0.2 C[S+](C)C AC2631 [2,0,0,0,0,0|1,0,0]=3 185 B3R0.2 [13CH3]C(=O)O 41421 [2,0,0,0,0,0|1,0,1]=4 186 B5R0.1 C=C(C)CON F31248 [1,1,0,0,0,0|0,0,2]=4 187 B5R0.1 C=CC[C@H](C)O 71459 [1,1,0,0,0,0|0,0,1]=3 188 B5R0.1 C=CC[C@H](C)O A12634 [1,1,0,0,0,0|0,0,1]=3 189 B5R0.1 CCC[C@H](C)N P14575 [1,1,0,0,0,0|1,0,0]=3 190 B5R0.1 CCC[C@H](C)N Y10887 [1,1,0,0,0,0|1,0,0]=3 191 B5R0.1 CN(C)CC=O D88083 [1,1,0,0,0,0|1,0,1]=4 192 B5R0.1 CN(C)CCO D93012 [1,1,0,0,0,0|1,0,0]=3 193 B5R0.1 CNCC(F)F D86102 [1,1,0,0,0,0|2,0,0]=4 194 B5R0.1 CNC[C@H](C)O AC1157 [1,1,0,0,0,0|0,0,0]=2 195 B5R0.1 CNC[C@H](C)O N12528 [1,1,0,0,0,0|0,0,0]=2 196 B5R0.1 COC[C@H](C)Br 78860 [1,1,0,0,0,0|1,0,0]=3 197 B5R0.1 COC[C@H](C)N 25526 [1,1,0,0,0,0|1,0,0]=3 198 B5R0.1 COC[C@H](C)N D95458 [1,1,0,0,0,0|1,0,0]=3 199 B5R0.1 COC[C@H](C)N W17998 [1,1,0,0,0,0|1,0,0]=3 200 B5R0.1 C[C@H](N)CC#N 12486 [1,1,0,0,0,0|1,0,1]=4 201 B5R0.1 C[C@H](O)CC#N 87623 [1,1,0,0,0,0|0,0,1]=3 202 B5R0.1 C[C@H](O)CCN 83616 [1,1,0,0,0,0|0,0,0]=2 203 B5R0.1 C[C@H](O)CON O10313 [1,1,0,0,0,0|1,0,0]=3 204 B5R0.1 C[S+](C)CCCl 77752 [1,1,0,0,0,0|1,0,0]=3 205 B5R0.1 NCCC(F)F D77085 [1,1,0,0,0,0|2,0,0]=4 206 B5R0.1 OCCC(F)F P18054 [1,1,0,0,0,0|2,0,0]=4 207 B5R0.4 C#CC(C)(C)Br AB8396 [1,1,0,0,0,0|0,0,2]=4 208 B5R0.4 CC(C)(Br)CN 55595 [1,1,0,0,0,0|1,0,0]=3 209 B5R0.4 CC(C)(C)NO 77598 [1,1,0,0,0,0|1,0,0]=3 210 B5R0.4 CC(C)(Cl)CCl H11156 [1,1,0,0,0,0|1,0,0]=3 211 B5R0.4 CC(C)(F)CBr 29918 [1,1,0,0,0,0|1,0,0]=3 212 B5R0.4 CC(C)(F)CO P17817 [1,1,0,0,0,0|0,0,0]=2 213 B5R0.4 CC(C)(O)CBr A11164 [1,1,0,0,0,0|1,0,0]=3 214 B5R0.5 CC(=O)[C@H](C)N D76571 [1,1,0,0,0,0|0,0,2]=4 215 B5R0.5 CC(=S)N(C)C 76921 [1,1,0,0,0,0|1,0,1]=4 216 B5R0.5 C[C@H](O)C(=N)N 71516 [1,1,0,0,0,0|1,0,1]=4 217 B5R0.5 C[C@H](O)[C@H](C)O C91323 [1,1,0,0,0,0|0,0,0]=2 218 B5R0.2 C#CCCCI C78094 [1,1,0,0,0,0|1,0,1]=4 219 B5R0.2 C#CCCCN 72839 [1,1,0,0,0,0|1,0,1]=4 220 B5R0.2 C#CCOCC C90311 [1,1,0,0,0,0|1,0,1]=4 221 B5R0.2 C=CCCNC W16107 [1,1,0,0,0,0|1,0,1]=4 222 B5R0.2 CCCCON 31644 [1,1,0,0,0,0|0,0,0]=2 223 B5R0.2 CNOCCN D97505 [1,1,0,0,0,0|2,0,0]=4 224 B5R0.2 COCCCO D77912 [1,1,0,0,0,0|0,0,0]=2 225 B5R0.2 NCCCCCl F19552 [1,1,0,0,0,0|1,0,0]=3 226 B5R0.2 NNCCCO AB9423 [1,1,0,0,0,0|1,0,0]=3 227 B5R0.2 O=CCCCO 55817 [1,1,0,0,0,0|0,0,1]=3 228 B7R0.2 CC[C@H](C)CC(=O)O 63986 [0,2,0,0,0,0|0,0,0]=2 229 B7R0.2 CC[C@H](C)CC(C)=O A11862 [0,2,0,0,0,0|0,0,1]=3 230 B7R0.2 CC[C@H](N)CC(=O)O 51922 [0,2,0,0,0,0|1,0,0]=3 231 B7R0.2 CC[C@H](N)CC(=O)O 52000 [0,2,0,0,0,0|1,0,0]=3 232 B7R0.2 CC[C@H](O)CC(=O)O C14017 [0,2,0,0,0,0|1,0,0]=3 233 B7R0.2 CN(C)C[C@H](O)CO D95190 [0,2,0,0,0,0|1,0,0]=3 234 B7R0.2 COC(C)CC(C)O 78061 [0,2,0,0,0,0|1,0,0]=3 235 B7R0.2 N[C@H](CO)CC(=O)O D95019 [0,2,0,0,0,0|1,0,1]=4 236 B7R0.2 N[C@H](CO)CC(=O)O F14029 [0,2,0,0,0,0|1,0,1]=4 237 B7R0.3 CCC(=O)OCCO A11774 [0,2,0,0,0,0|1,0,1]=4 238 B7R0.5 CC(=O)[C@@H](Cl)CCO 74627 [0,2,0,0,0,0|1,0,1]=4 239 B7R0.5 CC(C)[C@@H](O)CCN 83602 [0,2,0,0,0,0|2,0,0]=4 240 B7R0.5 CCCC(Br)C(C)Br D81745 [0,2,0,0,0,0|2,0,0]=4 241 B7R0.5 CCC[C@H](O)C(=O)O 77792 [0,2,0,0,0,0|1,0,1]=4 242 B7R0.5 CCOC(=O)[C@H](C)O D75729 [0,2,0,0,0,0|1,0,1]=4 243 B7R0.5 CNC[C@H](N)C(=O)O N10392 [0,2,0,0,0,0|1,0,1]=4 244 B7R0.5 COC[C@H](Br)C(=O)O C76037 [0,2,0,0,0,0|1,0,1]=4 245 B7R0.5 COC[C@H](Cl)C(=O)O T70661 [0,2,0,0,0,0|1,0,1]=4 246 B7R0.5 C[Se]C[C@H](N)C(=O)O D95282 [0,2,0,0,0,0|1,0,1]=4 247 B7R0.5 NCC[C@H](F)C(=O)O D71941 [0,2,0,0,0,0|1,0,1]=4 248 B7R0.5 NCC[C@H](N)C(=O)O FD1070 [0,2,0,0,0,0|1,0,1]=4 249 B7R0.5 N[C@@H](CCS)C(=O)O C11384 [0,2,0,0,0,0|1,0,1]=4 250 B7R0.5 N[C@@H](CCS)C(=O)O I11579 [0,2,0,0,0,0|1,0,1]=4 251 B7R0.7 CCC[C@H](Br)CCBr D94373 [0,2,0,0,0,0|2,0,0]=4 252 B7R0.7 CCC[C@H](N)CCO AT20461 [0,2,0,0,0,0|1,0,0]=3 253 B7R0.7 CCC[C@H](N)CCO I11080 [0,2,0,0,0,0|1,0,0]=3 254 B7R0.7 CCC[C@H](N)CCO N12794 [0,2,0,0,0,0|1,0,0]=3 255 B7R0.7 CCOP(C)OCC 28742 [0,2,0,0,0,0|2,0,0]=4 256 B7R0.7 CN(CCO)CCO A10780 [0,2,0,0,0,0|1,0,0]=3 257 B7R0.7 COCC(=O)COC 36699 [0,2,0,0,0,0|1,0,1]=4 258 B7R0.7 COC[C@@H](N)CCO AT12992 [0,2,0,0,0,0|1,0,0]=3 259 B7R0.10 CCC(C)[C@H](N)C#N AR2444 [0,2,0,0,0,0|1,0,0]=3 260 B7R0.10 CC[C@@H](C)[C@@H](N)CO 73347 [0,2,0,0,0,0|0,0,0]=2 261 B7R0.10 CC[C@H](Br)C(=O)OC D86786 [0,2,0,0,0,0|1,0,1]=4 262 B7R0.10 CC[C@H](O)C(=O)OC 98375 [0,2,0,0,0,0|1,0,1]=4 263 B7R0.10 CN[C@@H](C)C(=O)OC D84514 [0,2,0,0,0,0|1,0,1]=4 264 B7R0.10 COC(=O)[C@@H](Br)CO AB21729 [0,2,0,0,0,0|1,0,1]=4 265 B7R0.10 COC(=O)[C@@H](C)CBr T71508 [0,2,0,0,0,0|1,0,1]=4 266 B7R0.10 COC(=O)[C@@H](O)CO FD9041 [0,2,0,0,0,0|1,0,1]=4 267 B7R0.10 OC[C@H](O)[C@@H](O)CO T72117 [0,2,0,0,0,0|1,0,0]=3 268 B7R0.10 O[C@@H](CS)[C@@H](O)CS T70362 [0,2,0,0,0,0|1,1,0]=4 269 B7R0.11 CC(C)(CO)CCO W16131 [0,2,0,0,0,0|0,0,0]=2 270 B7R0.11 CCC(C)(C)CCCl F50555 [0,2,0,0,0,0|1,0,0]=3 271 B7R0.11 CCCC(C)(C)C#N T70545 [0,2,0,0,0,0|1,0,1]=4 272 B7R0.11 CCC[C@](C)(N)C#N 20848 [0,2,0,0,0,0|1,0,1]=4 273 B7R0.11 CCO[Si](C)(C)CCl I11069 [0,2,0,0,0,0|1,1,0]=4 274 B7R0.11 COCC(C)(C)CO BL000418 [0,2,0,0,0,0|0,0,0]=2 275 B7R0.11 C[N+](C)(CF)CCO W18955 [0,2,0,0,0,0|2,0,0]=4 276 B7R0.11 C[N+](C)(CI)CCO F11952 [0,2,0,0,0,0|2,0,0]=4 277 B7R0.12 CCCC(CO)CO AB7729 [0,2,0,0,0,0|0,0,0]=2 278 B7R0.12 CCN(CCO)N=O T71710 [0,2,0,0,0,0|2,0,0]=4 279 B7R0.12 CCN[C@@H](CC)CO 29377 [0,2,0,0,0,0|0,0,0]=2 280 B7R0.13 CC(=O)C(C)(C)CO Y13534 [0,2,0,0,0,0|0,0,1]=3 281 B7R0.13 CC(C)(CN)C(=O)O D76726 [0,2,0,0,0,0|1,0,1]=4 282 B7R0.13 CCC(C)(C)[S@@](N)=O 97000 [0,2,0,0,0,0|1,0,1]=4 283 B7R0.13 CCC(C)(C)[S@@](N)=O 97001 [0,2,0,0,0,0|1,0,1]=4 284 B7R0.13 CC[C@](C)(N)C(=O)O 63927 [0,2,0,0,0,0|0,0,1]=3 285 B7R0.13 CC[C@](C)(N)C(=O)O F12073 [0,2,0,0,0,0|0,0,1]=3 286 B7R0.13 CC[C@](C)(O)C(=O)O D78565 [0,2,0,0,0,0|0,0,1]=3 287 B7R0.13 C[C@](Cl)(CCl)C(=O)O W18728 [0,2,0,0,0,0|1,0,1]=4 288 B7R0.13 C[C@](N)(CO)C(=O)O 64334 [0,2,0,0,0,0|1,0,1]=4 289 B7R0.14 CC(C)(C)C(=O)CO F50563 [0,2,0,0,0,0|1,0,1]=4 290 B7R0.14 CC(C)(C)[C@@H](N)CO 39285 [0,2,0,0,0,0|1,0,0]=3 291 B7R0.14 CC(C)(O)[C@@H](F)CN 89812 [0,2,0,0,0,0|2,0,0]=4 292 B7R0.14 CC(C)(O)[C@@H](F)CN P18828 [0,2,0,0,0,0|2,0,0]=4 293 B7R0.14 C[C@@H](CO)C(F)(F)F I10109 [0,2,0,0,0,0|1,0,0]=3 294 B7R0.14 N[C@@H](CO)C(F)(F)F N11384 [0,2,0,0,0,0|2,0,0]=4 295 B7R0.14 OC[C@H](O)C(F)(F)F AT11767 [0,2,0,0,0,0|2,0,0]=4 296 B7R0.15 CC(C)C(CO)CO 73803 [0,2,0,0,0,0|0,0,0]=2 297 B7R0.15 CC[C@@H](CO)C(C)C C74656 [0,2,0,0,0,0|0,0,0]=2 298 B7R0.15 CC[C@H](NC)C(=O)O W18322 [0,2,0,0,0,0|0,0,1]=3 299 B7R0.15 CC[C@H](OC)C(=O)O AC6372 [0,2,0,0,0,0|0,0,1]=3 300 B7R0.15 CN[C@@H](CO)C(=O)O F11106 [0,2,0,0,0,0|1,0,1]=4 301 B7R0.15 COC(OC)C(C)C D93459 [0,2,0,0,0,0|2,0,0]=4 302 B7R0.15 COC(OC)[C@H](C)Br AC5914 [0,2,0,0,0,0|2,0,0]=4 303 B7R0.16 CC(C)[C@H](C)C(=O)O F17074 [0,2,0,0,0,0|0,0,1]=3 304 B7R0.16 CC(C)[C@H](C)C(=O)O I11272 [0,2,0,0,0,0|0,0,1]=3 305 B7R0.16 C[C@@H](C(=O)O)N(C)C FD21039 [0,2,0,0,0,0|1,0,1]=4 306 B7R0.16 C[C@@H](C(=O)O)N(C)C FD21040 [0,2,0,0,0,0|1,0,1]=4 307 B7R0.16 C[C@H](O)[C@H](N)C(=O)O T70290 [0,2,0,0,0,0|1,0,1]=4 308 B7R0.18 C#CC(N)(CC)CC 20511 [0,2,0,0,0,0|1,0,1]=4 309 B7R0.18 CCC(N)(C#N)CC 20841 [0,2,0,0,0,0|1,0,1]=4 310 B7R0.18 COC(C)(CN)OC A10525 [0,2,0,0,0,0|2,0,0]=4 311 B5R1.2 C=C1COC1 P17999 [1,0,0,1,0,0|0,0,2]=4 312 B5R1.2 C[C@H]1CCN1 98100 [1,0,0,1,0,0|1,0,0]=3 313 B5R1.2 C[C@H]1CCN1 P21034 [1,0,0,1,0,0|1,0,0]=3 314 B5R1.2 ClC1CCC1 T70092 [1,0,0,1,0,0|1,0,0]=3 315 B5R1.2 ClC1CNC1 37968 [1,0,0,1,0,0|2,0,0]=4 316 B5R1.2 ClC1COC1 CS1986 [1,0,0,1,0,0|1,0,0]=3 317 B5R1.2 FC1CNC1 SC2901 [1,0,0,1,0,0|2,0,0]=4 318 B5R1.2 IC1CCC1 P17114 [1,0,0,1,0,0|1,0,0]=3 319 B5R1.2 NC1CSC1 39038 [1,0,0,1,0,0|1,1,0]=4 320 B5R1.2 SC1CNC1 38596 [1,0,0,1,0,0|1,1,0]=4 321 B5R1.2 SC1COC1 32902 [1,0,0,1,0,0|1,0,0]=3 322 B5R1.3 ICC1CC1 P19124 [1,0,0,1,0,0|1,0,0]=3 323 B5R1.3 NNC1CC1 26649 [1,0,0,1,0,0|2,0,0]=4 324 B5R1.3 NNC1CC1 BL010354 [1,0,0,1,0,0|2,0,0]=4 325 B5R1.4 CC1CC1N 72192 [1,0,0,1,0,0|1,0,0]=3 326 B5R1.4 CC1CC1N 72742 [1,0,0,1,0,0|1,0,0]=3 327 B5R1.4 N[C@@H]1C[C@@H]1F D79320 [1,0,0,1,0,0|2,0,0]=4 328 B5R1.4 N[C@@H]1C[C@@H]1F P17919 [1,0,0,1,0,0|2,0,0]=4 329 B5R1.4 N[C@@H]1C[C@@H]1O C93526 [1,0,0,1,0,0|1,0,0]=3 330 B5R1.4 N[C@H]1C[C@@H]1F CS3399 [1,0,0,1,0,0|2,0,0]=4 331 B5R1.4 N[C@H]1C[C@@H]1N P18270 [1,0,0,1,0,0|2,0,0]=4 332 B5R1.5 CC1(C)CN1 56316 [1,0,0,1,0,0|1,0,0]=3 333 B5R1.5 CC1(O)CC1 83778 [1,0,0,1,0,0|0,0,0]=2 334 B5R1.1 C1CNNC1 26256 [1,0,0,1,0,0|2,0,0]=4 335 B5R1.1 C1COCN1 A51210 [1,0,0,1,0,0|1,0,0]=3 336 B7R1.1 BrCC1=CCCC1 37275 [0,1,0,1,0,0|1,0,1]=4 337 B7R1.1 BrC[C@H]1CCOC1 84096 [0,1,0,1,0,0|0,0,0]=2 338 B7R1.1 C=CC1CCCC1 T72385 [0,1,0,1,0,0|1,0,1]=4 339 B7R1.1 CC[C@H]1CCCN1 F16886 [0,1,0,1,0,0|1,0,0]=3 340 B7R1.1 CC[C@H]1CCNC1 P14869 [0,1,0,1,0,0|1,0,0]=3 341 B7R1.1 CN[C@H]1CCOC1 P18534 [0,1,0,1,0,0|0,0,0]=2 342 B7R1.1 CN[C@H]1CCOC1 P18535 [0,1,0,1,0,0|0,0,0]=2 343 B7R1.1 CO[C@H]1CCNC1 26935 [0,1,0,1,0,0|1,0,0]=3 344 B7R1.1 CO[C@H]1CCNC1 P10862 [0,1,0,1,0,0|1,0,0]=3 345 B7R1.1 FC[C@H]1CCCN1 37688 [0,1,0,1,0,0|1,0,0]=3 346 B7R1.1 FC[C@H]1CCCN1 P11073 [0,1,0,1,0,0|1,0,0]=3 347 B7R1.1 FC[C@H]1CCNC1 P18731 [0,1,0,1,0,0|1,0,0]=3 348 B7R1.1 N#C[C@@H]1CCCN1 37678 [0,1,0,1,0,0|1,0,1]=4 349 B7R1.1 N#C[C@@H]1CCCN1 68253 [0,1,0,1,0,0|1,0,1]=4 350 B7R1.1 N#C[C@@H]1CCCN1 68254 [0,1,0,1,0,0|1,0,1]=4 351 B7R1.1 N#C[C@@H]1CCCO1 31513 [0,1,0,1,0,0|1,0,1]=4 352 B7R1.1 N#C[C@H]1CCNC1 81493 [0,1,0,1,0,0|1,0,1]=4 353 B7R1.1 N#C[C@H]1CCNC1 81538 [0,1,0,1,0,0|1,0,1]=4 354 B7R1.1 N#C[C@H]1CCNC1 82703 [0,1,0,1,0,0|1,0,1]=4 355 B7R1.1 N#C[C@H]1CCOC1 39230 [0,1,0,1,0,0|0,0,1]=3 356 B7R1.1 N#C[C@H]1CCOC1 P12891 [0,1,0,1,0,0|0,0,1]=3 357 B7R1.1 NCC1CCCC1 P10292 [0,1,0,1,0,0|1,0,0]=3 358 B7R1.1 NC[C@H]1CCCN1 83159 [0,1,0,1,0,0|1,0,0]=3 359 B7R1.1 NC[C@H]1CCCO1 83007 [0,1,0,1,0,0|1,0,0]=3 360 B7R1.1 NC[C@H]1CCCO1 S11127 [0,1,0,1,0,0|1,0,0]=3 361 B7R1.1 NC[C@H]1CCOC1 37316 [0,1,0,1,0,0|0,0,0]=2 362 B7R1.1 NC[C@H]1CCOC1 68891 [0,1,0,1,0,0|0,0,0]=2 363 B7R1.1 NC[C@H]1CCOC1 P12031 [0,1,0,1,0,0|0,0,0]=2 364 B7R1.1 NNC1CCCC1 BL010355 [0,1,0,1,0,0|2,0,0]=4 365 B7R1.1 NOC1CCCC1 97655 [0,1,0,1,0,0|2,0,0]=4 366 B7R1.1 OC[C@H]1CCCO1 66575 [0,1,0,1,0,0|0,0,0]=2 367 B7R1.1 OC[C@H]1CCNC1 24481 [0,1,0,1,0,0|0,0,0]=2 368 B7R1.1 OC[C@H]1CCNC1 29239 [0,1,0,1,0,0|0,0,0]=2 369 B7R1.1 OC[C@H]1CCNC1 30959 [0,1,0,1,0,0|0,0,0]=2 370 B7R1.1 OC[C@H]1CCOC1 37313 [0,1,0,1,0,0|0,0,0]=2 371 B7R1.1 OC[C@H]1CCOC1 37314 [0,1,0,1,0,0|0,0,0]=2 372 B7R1.1 [C-]#[N+]C1CCCC1 T71226 [0,1,0,1,0,0|1,0,1]=4 373 B7R1.2 CN1CCC(=O)C1 64220 [0,1,0,1,0,0|1,0,1]=4 374 B7R1.2 CN1CC[C@H](Br)C1 C14104 [0,1,0,1,0,0|2,0,0]=4 375 B7R1.2 CN1CC[C@H](N)C1 51282 [0,1,0,1,0,0|2,0,0]=4 376 B7R1.2 CN1CC[C@H](N)C1 51289 [0,1,0,1,0,0|2,0,0]=4 377 B7R1.2 CN1CC[C@H](N)C1 FD9067 [0,1,0,1,0,0|2,0,0]=4 378 B7R1.2 C[C@@H]1CNC(=O)C1 P17327 [0,1,0,1,0,0|1,0,1]=4 379 B7R1.2 C[C@@H]1C[C@H](O)CN1 F13013 [0,1,0,1,0,0|1,0,0]=3 380 B7R1.2 C[C@H]1CCC(=O)N1 P20894 [0,1,0,1,0,0|0,0,2]=4 381 B7R1.2 C[C@H]1CCC(=O)N1 P20895 [0,1,0,1,0,0|0,0,2]=4 382 B7R1.2 C[C@H]1CC[C@@H](C)N1 P17782 [0,1,0,1,0,0|1,0,0]=3 383 B7R1.2 C[C@H]1CC[C@H](C)N1 P19223 [0,1,0,1,0,0|1,0,0]=3 384 B7R1.2 C[C@H]1COC(=O)N1 O10180 [0,1,0,1,0,0|1,0,1]=4 385 B7R1.2 C[C@H]1COC(=O)N1 W17357 [0,1,0,1,0,0|1,0,1]=4 386 B7R1.2 C[C@H]1COC(=O)O1 D77722 [0,1,0,1,0,0|1,0,1]=4 387 B7R1.2 NC1CCC(N)C1 D79385 [0,1,0,1,0,0|2,0,0]=4 388 B7R1.2 NC1CCC(O)C1 21055 [0,1,0,1,0,0|1,0,0]=3 389 B7R1.2 NC1CCC(O)C1 26425 [0,1,0,1,0,0|1,0,0]=3 390 B7R1.2 N[C@@H]1CC[C@H](F)C1 P18588 [0,1,0,1,0,0|2,0,0]=4 391 B7R1.2 N[C@@H]1CC[C@H](F)C1 P20484 [0,1,0,1,0,0|2,0,0]=4 392 B7R1.2 N[C@@H]1CC[C@H](O)C1 27526 [0,1,0,1,0,0|1,0,0]=3 393 B7R1.2 N[C@@H]1CC[C@H](O)C1 38967 [0,1,0,1,0,0|1,0,0]=3 394 B7R1.2 N[C@@H]1CC[C@H](O)C1 72087 [0,1,0,1,0,0|1,0,0]=3 395 B7R1.2 N[C@@H]1CC[C@H](O)C1 72088 [0,1,0,1,0,0|1,0,0]=3 396 B7R1.2 N[C@@H]1CC[C@H](O)C1 72349 [0,1,0,1,0,0|1,0,0]=3 397 B7R1.2 N[C@@H]1CC[C@H](O)C1 W11751 [0,1,0,1,0,0|1,0,0]=3 398 B7R1.2 N[C@@H]1COC(=O)C1 FD1175 [0,1,0,1,0,0|1,0,1]=4 399 B7R1.2 N[C@@H]1COC(=O)C1 W11179 [0,1,0,1,0,0|1,0,1]=4 400 B7R1.2 N[C@H]1CC[C@H](N)C1 F53332 [0,1,0,1,0,0|2,0,0]=4 401 B7R1.2 N[C@H]1CC[C@H](O)C1 27518 [0,1,0,1,0,0|1,0,0]=3 402 B7R1.2 N[C@H]1CC[C@H](O)C1 31093 [0,1,0,1,0,0|1,0,0]=3 403 B7R1.2 N[C@H]1CC[C@H](O)C1 W11748 [0,1,0,1,0,0|1,0,0]=3 404 B7R1.2 O=C1CC[C@H](O)C1 P13127 [0,1,0,1,0,0|1,0,1]=4 405 B7R1.2 O=C1C[C@H](O)CO1 12464 [0,1,0,1,0,0|1,0,1]=4 406 B7R1.2 O[C@H]1CC[C@@H](O)C1 P16667 [0,1,0,1,0,0|1,0,0]=3 407 B7R1.3 BrC1=CCOCC1 C90119 [0,1,0,1,0,0|1,0,1]=4 408 B7R1.3 C=C1CCOCC1 84295 [0,1,0,1,0,0|0,0,2]=4 409 B7R1.3 CC1=CCNCC1 A11257 [0,1,0,1,0,0|1,0,1]=4 410 B7R1.3 C[C@H]1CCCCN1 C73894 [0,1,0,1,0,0|1,0,0]=3 411 B7R1.3 C[C@H]1CCCNC1 36405 [0,1,0,1,0,0|1,0,0]=3 412 B7R1.3 C[C@H]1CNCCO1 24564 [0,1,0,1,0,0|1,0,0]=3 413 B7R1.3 C[C@H]1CNCCO1 27729 [0,1,0,1,0,0|1,0,0]=3 414 B7R1.3 C[C@H]1CNCCO1 F13460 [0,1,0,1,0,0|1,0,0]=3 415 B7R1.3 C[C@H]1CNCCO1 P11013 [0,1,0,1,0,0|1,0,0]=3 416 B7R1.3 C[C@H]1COCCN1 72593 [0,1,0,1,0,0|0,0,0]=2 417 B7R1.3 F[C@H]1CCCNC1 37161 [0,1,0,1,0,0|2,0,0]=4 418 B7R1.3 F[C@H]1CCCNC1 37162 [0,1,0,1,0,0|2,0,0]=4 419 B7R1.3 N[C@H]1CCCNC1 C72133 [0,1,0,1,0,0|2,0,0]=4 420 B7R1.3 N[C@H]1CCCOC1 F10442 [0,1,0,1,0,0|1,0,0]=3 421 B7R1.3 O[C@@H]1CNCCO1 26254 [0,1,0,1,0,0|2,0,0]=4 422 B7R1.3 O[C@H]1CCCOC1 P10754 [0,1,0,1,0,0|1,0,0]=3 423 B7R1.3 O[C@H]1CCCOC1 P10755 [0,1,0,1,0,0|1,0,0]=3 424 B7R1.3 SC1CCNCC1 39018 [0,1,0,1,0,0|2,0,0]=4 425 B7R1.3 SC1CCOCC1 AT12453 [0,1,0,1,0,0|1,0,0]=3 426 B7R1.3 S[C@H]1CCCNC1 P11853 [0,1,0,1,0,0|2,0,0]=4 427 B7R1.4 Br[C@H]1CCC[C@@H]1Br D97021 [0,1,0,1,0,0|2,0,0]=4 428 B7R1.4 CC1CNCC1C P18713 [0,1,0,1,0,0|1,0,0]=3 429 B7R1.4 C[C@@H]1CCC[C@@H]1N 72991 [0,1,0,1,0,0|1,0,0]=3 430 B7R1.4 C[C@@H]1CCC[C@@H]1O 72407 [0,1,0,1,0,0|0,0,0]=2 431 B7R1.4 C[C@@H]1CNC[C@@H]1F 73104 [0,1,0,1,0,0|1,0,0]=3 432 B7R1.4 C[C@@H]1CNC[C@@H]1N F13008 [0,1,0,1,0,0|1,0,0]=3 433 B7R1.4 C[C@@H]1CNC[C@@H]1O 72981 [0,1,0,1,0,0|0,0,0]=2 434 B7R1.4 C[C@H]1CCC[C@@H]1O 71002 [0,1,0,1,0,0|0,0,0]=2 435 B7R1.4 C[C@H]1CNC[C@@H]1O 72668 [0,1,0,1,0,0|0,0,0]=2 436 B7R1.4 C[C@H]1COC[C@@H]1N P16382 [0,1,0,1,0,0|0,0,0]=2 437 B7R1.4 C[C@H]1COC[C@@H]1O 73077 [0,1,0,1,0,0|0,0,0]=2 438 B7R1.4 F[C@H]1CNC[C@H]1F 83249 [0,1,0,1,0,0|2,0,0]=4 439 B7R1.4 NC1CCCC1N F16273 [0,1,0,1,0,0|2,0,0]=4 440 B7R1.4 NC1COCC1O O11159 [0,1,0,1,0,0|1,0,0]=3 441 B7R1.4 N[C@@H]1CCC[C@@H]1O P10925 [0,1,0,1,0,0|1,0,0]=3 442 B7R1.4 N[C@@H]1COC[C@@H]1F W12424 [0,1,0,1,0,0|1,0,0]=3 443 B7R1.4 N[C@@H]1COC[C@@H]1N P15675 [0,1,0,1,0,0|1,0,0]=3 444 B7R1.4 N[C@@H]1COC[C@@H]1O F53671 [0,1,0,1,0,0|1,0,0]=3 445 B7R1.4 N[C@@H]1COC[C@@H]1O P12686 [0,1,0,1,0,0|1,0,0]=3 446 B7R1.4 N[C@H]1CCC[C@@H]1F P17786 [0,1,0,1,0,0|2,0,0]=4 447 B7R1.4 N[C@H]1CCC[C@@H]1N F16352 [0,1,0,1,0,0|2,0,0]=4 448 B7R1.4 N[C@H]1CCC[C@@H]1O 71753 [0,1,0,1,0,0|1,0,0]=3 449 B7R1.4 N[C@H]1CCC[C@H]1N I12005 [0,1,0,1,0,0|2,0,0]=4 450 B7R1.4 N[C@H]1CNC[C@@H]1F D72106 [0,1,0,1,0,0|2,0,0]=4 451 B7R1.4 N[C@H]1COC[C@@H]1F W12730 [0,1,0,1,0,0|1,0,0]=3 452 B7R1.4 N[C@H]1COC[C@@H]1N 37783 [0,1,0,1,0,0|1,0,0]=3 453 B7R1.4 N[C@H]1COC[C@@H]1N 37786 [0,1,0,1,0,0|1,0,0]=3 454 B7R1.4 N[C@H]1COC[C@@H]1N P15676 [0,1,0,1,0,0|1,0,0]=3 455 B7R1.4 N[C@H]1COC[C@@H]1O 71841 [0,1,0,1,0,0|1,0,0]=3 456 B7R1.4 N[C@H]1COC[C@@H]1O P12486 [0,1,0,1,0,0|1,0,0]=3 457 B7R1.4 N[C@H]1COC[C@@H]1O P15828 [0,1,0,1,0,0|1,0,0]=3 458 B7R1.4 O=C1OCC[C@@H]1O F14291 [0,1,0,1,0,0|1,0,1]=4 459 B7R1.4 O[C@@H]1CNC[C@@H]1F 72988 [0,1,0,1,0,0|1,0,0]=3 460 B7R1.4 O[C@H]1CCC=C1Br D79898 [0,1,0,1,0,0|1,0,1]=4 461 B7R1.4 O[C@H]1CNC[C@@H]1F 38827 [0,1,0,1,0,0|1,0,0]=3 462 B7R1.4 O[C@H]1CNC[C@@H]1F P15834 [0,1,0,1,0,0|1,0,0]=3 463 B7R1.4 O[C@H]1CNC[C@@H]1O 39002 [0,1,0,1,0,0|1,0,0]=3 464 B7R1.4 O[C@H]1CNC[C@@H]1O P15707 [0,1,0,1,0,0|1,0,0]=3 465 B7R1.4 O[C@H]1COC[C@@H]1F 73076 [0,1,0,1,0,0|1,0,0]=3 466 B7R1.4 O[C@H]1COC[C@@H]1O 66690 [0,1,0,1,0,0|1,0,0]=3 467 B7R1.6 C=CCC1CNC1 P14594 [0,1,0,1,0,0|1,0,1]=4 468 B7R1.6 CCNC1CCC1 W19308 [0,1,0,1,0,0|1,0,0]=3 469 B7R1.6 CCNC1COC1 32797 [0,1,0,1,0,0|0,0,0]=2 470 B7R1.6 CCOC1CNC1 C16603 [0,1,0,1,0,0|1,0,0]=3 471 B7R1.6 CNCC1COC1 32854 [0,1,0,1,0,0|0,0,0]=2 472 B7R1.6 CNC[C@H]1CCO1 D96714 [0,1,0,1,0,0|2,0,0]=4 473 B7R1.6 COCC1CNC1 36064 [0,1,0,1,0,0|1,0,0]=3 474 B7R1.6 COCC1CNC1 37073 [0,1,0,1,0,0|1,0,0]=3 475 B7R1.6 COC[C@H]1CCN1 38829 [0,1,0,1,0,0|1,0,0]=3 476 B7R1.6 COC[C@H]1CCN1 P15803 [0,1,0,1,0,0|1,0,0]=3 477 B7R1.6 N#CCC1CCC1 55430 [0,1,0,1,0,0|1,0,0]=3 478 B7R1.6 N#CCC1CNC1 P14687 [0,1,0,1,0,0|1,0,1]=4 479 B7R1.6 N#CCC1COC1 D79136 [0,1,0,1,0,0|0,0,1]=3 480 B7R1.6 NCCC1CCC1 P10851 [0,1,0,1,0,0|1,0,0]=3 481 B7R1.6 NCCC1COC1 85783 [0,1,0,1,0,0|0,0,0]=2 482 B7R1.6 NNCC1CCC1 P12716 [0,1,0,1,0,0|1,0,0]=3 483 B7R1.6 O=CCC1CCC1 55432 [0,1,0,1,0,0|0,0,1]=3 484 B7R1.6 O=CCC1COC1 CS2316 [0,1,0,1,0,0|0,0,1]=3 485 B7R1.6 OCCC1CCC1 32129 [0,1,0,1,0,0|0,0,0]=2 486 B7R1.6 OCCC1CNC1 P16512 [0,1,0,1,0,0|1,0,0]=3 487 B7R1.6 OCCC1COC1 32759 [0,1,0,1,0,0|0,0,0]=2 488 B7R1.6 OCCN1CCC1 70839 [0,1,0,1,0,0|1,0,0]=3 489 B7R1.6 OCC[C@H]1CCO1 P17680 [0,1,0,1,0,0|1,0,0]=3 490 B7R1.8 CC1NCC1C#N D96740 [0,1,0,1,0,0|1,0,1]=4 491 B7R1.8 CN1CC[C@@H]1CN P15857 [0,1,0,1,0,0|1,0,0]=3 492 B7R1.8 CN1CC[C@@H]1CO 63438 [0,1,0,1,0,0|0,0,0]=2 493 B7R1.8 CN1CC[C@@H]1CO AT17142 [0,1,0,1,0,0|0,0,0]=2 494 B7R1.8 CN1CC[C@@H]1CO P18351 [0,1,0,1,0,0|0,0,0]=2 495 B7R1.8 CO[C@H]1CCC1=O P17941 [0,1,0,1,0,0|0,0,2]=4 496 B7R1.8 O=C1CC[C@@H]1CO P13853 [0,1,0,1,0,0|0,0,1]=3 497 B7R1.9 NCC1CC1CO C14991 [0,1,0,1,0,0|0,0,0]=2 498 B7R1.9 NC[C@H]1C[C@@H]1CN D79389 [0,1,0,1,0,0|1,0,0]=3 499 B7R1.9 OC[C@H]1C[C@H]1CO P16470 [0,1,0,1,0,0|0,0,0]=2 500 B7R1.10 C=C1CC(CO)C1 D79070 [0,1,0,1,0,0|0,0,1]=3 501 B7R1.10 CC1CC(CN)C1 72944 [0,1,0,1,0,0|1,0,0]=3 502 B7R1.10 CN1CC(CN)C1 37075 [0,1,0,1,0,0|1,0,0]=3 503 B7R1.10 CN1CC(CO)C1 P17862 [0,1,0,1,0,0|0,0,0]=2 504 B7R1.10 CNC1CC(C)C1 72947 [0,1,0,1,0,0|2,0,0]=4 505 B7R1.10 CNC1CC(O)C1 37731 [0,1,0,1,0,0|1,0,0]=3 506 B7R1.10 CNC1CN(C)C1 38831 [0,1,0,1,0,0|2,0,0]=4 507 B7R1.10 CN[C@H]1C[C@@H](O)C1 P13897 [0,1,0,1,0,0|1,0,0]=3 508 B7R1.10 CN[C@H]1C[C@H](O)C1 38892 [0,1,0,1,0,0|1,0,0]=3 509 B7R1.10 COC1CC(=O)C1 P12741 [0,1,0,1,0,0|1,0,1]=4 510 B7R1.10 COC1CC(N)C1 37221 [0,1,0,1,0,0|2,0,0]=4 511 B7R1.10 COC1CC(O)C1 R10063 [0,1,0,1,0,0|1,0,0]=3 512 B7R1.10 CO[C@H]1C[C@@H](N)C1 39167 [0,1,0,1,0,0|2,0,0]=4 513 B7R1.10 CO[C@H]1C[C@H](N)C1 39168 [0,1,0,1,0,0|2,0,0]=4 514 B7R1.10 N#CC1CC(I)C1 AT12394 [0,1,0,1,0,0|1,0,1]=4 515 B7R1.10 N#CC1CC(N)C1 37826 [0,1,0,1,0,0|1,0,1]=4 516 B7R1.10 N#C[C@H]1C[C@@H](N)C1 P16656 [0,1,0,1,0,0|1,0,1]=4 517 B7R1.10 N#C[C@H]1C[C@@H](O)C1 39462 [0,1,0,1,0,0|1,0,1]=4 518 B7R1.10 N#C[C@H]1C[C@H](N)C1 P17914 [0,1,0,1,0,0|1,0,1]=4 519 B7R1.10 NCC1CC(F)C1 38649 [0,1,0,1,0,0|1,0,0]=3 520 B7R1.10 NCC1CC(O)C1 37219 [0,1,0,1,0,0|1,0,0]=3 521 B7R1.10 NC[C@H]1C[C@H](O)C1 37659 [0,1,0,1,0,0|1,0,0]=3 522 B7R1.10 N[C@H]1C[C@@H](CO)C1 29808 [0,1,0,1,0,0|0,0,0]=2 523 B7R1.10 N[C@H]1C[C@@H](CO)C1 37494 [0,1,0,1,0,0|0,0,0]=2 524 B7R1.10 N[C@H]1C[C@H](CO)C1 37495 [0,1,0,1,0,0|0,0,0]=2 525 B7R1.10 O=C1CC(CBr)C1 39031 [0,1,0,1,0,0|1,0,1]=4 526 B7R1.10 O=C1CC(CCl)C1 P11243 [0,1,0,1,0,0|1,0,1]=4 527 B7R1.10 O=C1C[C@H](CO)N1 P17668 [0,1,0,1,0,0|1,0,1]=4 528 B7R1.10 OCC1CC(F)C1 72453 [0,1,0,1,0,0|0,0,0]=2 529 B7R1.10 OCC1CC(O)C1 N10548 [0,1,0,1,0,0|0,0,0]=2 530 B7R1.10 O[C@H]1C[C@@H](CF)C1 P21066 [0,1,0,1,0,0|1,0,0]=3 531 B7R1.21 CC1(CCO)CC1 P14058 [0,1,0,1,0,0|0,0,0]=2 532 B7R1.21 CC1(CCO)N=N1 F18261 [0,1,0,1,0,0|2,0,0]=4 533 B7R1.21 CCOC1(O)CC1 O10402 [0,1,0,1,0,0|2,0,0]=4 534 B7R1.22 N[C@@H](CO)C1CC1 N11217 [0,1,0,1,0,0|1,0,0]=3 535 B7R1.22 N[C@@H](CO)C1CC1 P18914 [0,1,0,1,0,0|1,0,0]=3 536 B7R1.22 N[C@@H](CO)C1CC1 Y14567 [0,1,0,1,0,0|1,0,0]=3 537 B7R1.22 O=C(CO)C1CC1 E72699 [0,1,0,1,0,0|1,0,1]=4 538 B7R1.25 C#CC1(C)COC1 32903 [0,1,0,1,0,0|0,0,2]=4 539 B7R1.25 CC1(C#N)COC1 39057 [0,1,0,1,0,0|1,0,1]=4 540 B7R1.25 CC1(CF)CNC1 D79152 [0,1,0,1,0,0|1,0,0]=3 541 B7R1.25 CC1(CN)CNC1 80498 [0,1,0,1,0,0|1,0,0]=3 542 B7R1.25 CC1(CO)CCC1 90942 [0,1,0,1,0,0|0,0,0]=2 543 B7R1.25 CC1(CO)CNC1 73126 [0,1,0,1,0,0|0,0,0]=2 544 B7R1.25 CCC1(C)CNC1 D79218 [0,1,0,1,0,0|1,0,0]=3 545 B7R1.25 CCC1(F)CNC1 D79682 [0,1,0,1,0,0|1,0,0]=3 546 B7R1.25 CCC1(N)COC1 32880 [0,1,0,1,0,0|0,0,0]=2 547 B7R1.25 CCC1(O)COC1 69107 [0,1,0,1,0,0|0,0,0]=2 548 B7R1.25 CNC1(C)COC1 39042 [0,1,0,1,0,0|1,0,0]=3 549 B7R1.25 C[C@]1(CN)CCO1 D79679 [0,1,0,1,0,0|1,0,0]=3 550 B7R1.25 C[C@]1(CN)CCO1 P20357 [0,1,0,1,0,0|1,0,0]=3 551 B7R1.25 C[C@]1(CO)CCN1 P18401 [0,1,0,1,0,0|0,0,0]=2 552 B7R1.25 FC1(CBr)COC1 32850 [0,1,0,1,0,0|1,0,0]=3 553 B7R1.25 N#CC1(N)CCC1 72155 [0,1,0,1,0,0|1,0,1]=4 554 B7R1.25 N#CC1(N)COC1 P15362 [0,1,0,1,0,0|1,0,1]=4 555 B7R1.25 N#CC1(O)CCC1 F50564 [0,1,0,1,0,0|1,0,1]=4 556 B7R1.25 N#CC1(O)COC1 P20435 [0,1,0,1,0,0|1,0,1]=4 557 B7R1.25 NC1(CF)COC1 P18909 [0,1,0,1,0,0|1,0,0]=3 558 B7R1.25 NC1(CO)CCC1 P11244 [0,1,0,1,0,0|0,0,0]=2 559 B7R1.25 NC1(CO)COC1 32838 [0,1,0,1,0,0|1,0,0]=3 560 B7R1.25 NCC1(F)CCC1 85743 [0,1,0,1,0,0|1,0,0]=3 561 B7R1.25 NCC1(F)COC1 32924 [0,1,0,1,0,0|1,0,0]=3 562 B7R1.25 NCC1(O)CCC1 27372 [0,1,0,1,0,0|1,0,0]=3 563 B7R1.25 NCC1(O)COC1 32889 [0,1,0,1,0,0|1,0,0]=3 564 B7R1.25 OC1(CF)CNC1 P18473 [0,1,0,1,0,0|2,0,0]=4 565 B7R1.25 OCC1(F)CCC1 85746 [0,1,0,1,0,0|0,0,0]=2 566 B7R1.25 OCC1(F)COC1 32840 [0,1,0,1,0,0|1,0,0]=3 567 B7R1.25 OCC1(O)CCC1 AT20135 [0,1,0,1,0,0|0,0,0]=2 568 B7R1.25 OCC1(O)CNC1 P15456 [0,1,0,1,0,0|1,0,0]=3 569 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O P12613 [0,1,0,1,0,0|0,0,1]=3 570 B7R1.12 C[C@H]1C[C@@H]1C(=O)O 72828 [0,1,0,1,0,0|0,0,1]=3 571 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I CS3201 [0,1,0,1,0,0|1,0,1]=4 572 B7R1.12 O=C(O)[C@H]1C[C@@H]1F P15680 [0,1,0,1,0,0|1,0,1]=4 573 B7R1.17 CC1(C)CC[C@@H]1N AT10475 [0,1,0,1,0,0|1,0,0]=3 574 B7R1.17 C[C@@H]1NCC1(F)F D79133 [0,1,0,1,0,0|2,0,0]=4 575 B7R1.17 C[C@@H]1NCC1(F)F P20356 [0,1,0,1,0,0|2,0,0]=4 576 B7R1.18 CC(=O)C1COC1 79962 [0,1,0,1,0,0|0,0,1]=3 577 B7R1.18 CC(C)C1CNC1 D79219 [0,1,0,1,0,0|1,0,0]=3 578 B7R1.18 CN(C)C1CNC1 P16271 [0,1,0,1,0,0|2,0,0]=4 579 B7R1.18 C[C@H](N)C1CCC1 93060 [0,1,0,1,0,0|1,0,0]=3 580 B7R1.18 C[C@H](N)C1CCC1 93062 [0,1,0,1,0,0|1,0,0]=3 581 B7R1.18 C[C@H](O)C1COC1 P18451 [0,1,0,1,0,0|0,0,0]=2 582 B7R1.18 FC(F)C1CNC1 P13128 [0,1,0,1,0,0|2,0,0]=4 583 B7R1.18 NC(=O)C1CCC1 20365 [0,1,0,1,0,0|0,0,2]=4 584 B7R1.18 O=C(O)C1COC1 81314 [0,1,0,1,0,0|1,0,1]=4 585 B7R1.18 O=C(O)C1CSC1 P12604 [0,1,0,1,0,0|1,0,1]=4 586 B7R1.18 O=C(O)[C@@H]1CCO1 32900 [0,1,0,1,0,0|1,0,1]=4 587 B7R1.18 O=[N+]([O-])C1CCC1 30647 [0,1,0,1,0,0|1,0,1]=4 588 B7R1.19 CC(C)C1(O)CC1 P17163 [0,1,0,1,0,0|2,0,0]=4 589 B7R1.14 CC1(Br)CCCC1 P19649 [0,1,0,1,0,0|1,0,0]=3 590 B7R1.14 CC1(C)CCCN1 71736 [0,1,0,1,0,0|2,0,0]=4 591 B7R1.14 CC1(C)CCCN1 71895 [0,1,0,1,0,0|2,0,0]=4 592 B7R1.14 CC1(C)CCNC1 28371 [0,1,0,1,0,0|1,0,0]=3 593 B7R1.14 CC1(C)COCN1 FD10630 [0,1,0,1,0,0|1,0,0]=3 594 B7R1.14 CC1(N)CCCC1 90423 [0,1,0,1,0,0|1,0,0]=3 595 B7R1.14 C[C@]1(F)CCNC1 P15373 [0,1,0,1,0,0|1,0,0]=3 596 B7R1.14 C[C@]1(N)CCOC1 38927 [0,1,0,1,0,0|0,0,0]=2 597 B7R1.14 C[C@]1(O)CCNC1 D96498 [0,1,0,1,0,0|1,0,0]=3 598 B7R1.14 C[C@]1(O)CCOC1 69114 [0,1,0,1,0,0|0,0,0]=2 599 B7R1.29 BrCC1(CBr)CC1 A10555 [0,1,0,1,0,0|1,0,0]=3 600 B7R1.29 C#CC1(CC)CC1 P17598 [0,1,0,1,0,0|1,0,1]=4 601 B7R1.29 CCC1(CN)CC1 W19007 [0,1,0,1,0,0|1,0,0]=3 602 B7R1.29 COC1(CO)CC1 92149 [0,1,0,1,0,0|0,0,0]=2 603 B7R1.29 N#CC1(CO)CC1 80646 [0,1,0,1,0,0|0,0,1]=3 604 B7R1.29 OCC1(CF)CC1 32156 [0,1,0,1,0,0|0,0,0]=2 605 B7R2.11 C1NC2CC1C2 37897 [0,0,0,2,0,0|1,0,0]=3 606 B7R2.13 C1CC2CC2N1 33368 [0,0,0,2,0,0|1,0,0]=3 607 B7R2.13 C1NCC2CC12 80426 [0,0,0,2,0,0|1,0,0]=3 608 B7R2.16 C1CC12CNC2 87106 [0,0,0,2,0,0|1,0,0]=3