0 B6R0.3 C=C(CBr)C(=O)O 74879 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.3 C=C(I)[C@@H](C)CI 27069 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.3 C=C[C@H](C)C(=O)O T72590 [0,0,0,0,0,0|2,0,2]=4 3 B6R0.3 C=C[C@H](N)C(=O)O 33352 [0,0,0,0,0,0|2,0,2]=4 4 B6R0.3 C=C[C@H](N)C(=O)O 39549 [0,0,0,0,0,0|2,0,2]=4 5 B6R0.3 CC(C)[C@@H](C)CO D93394 [0,0,0,0,0,0|3,0,1]=4 6 B6R0.3 CCN(C)C(C)=O F19909 [0,0,0,0,0,0|2,0,0]=2 7 B6R0.3 CC[C@H](C)C(=O)O 88659 [0,0,0,0,0,0|2,0,0]=2 8 B6R0.3 CC[C@H](N)C(N)=O I10243 [0,0,0,0,0,0|2,0,0]=2 9 B6R0.3 CC[C@H](N)[C@@H](C)O N14663 [0,0,0,0,0,0|1,0,2]=3 10 B6R0.3 C[C@@H](CN)C(=O)O F15101 [0,0,0,0,0,0|3,0,0]=3 11 B6R0.3 C[C@@H](CN)C(=O)O F15242 [0,0,0,0,0,0|3,0,0]=3 12 B6R0.3 C[C@@H](CO)C(=O)O FD6004 [0,0,0,0,0,0|3,0,0]=3 13 B6R0.3 C[C@H](C#N)C(=O)O C75969 [0,0,0,0,0,0|3,0,1]=4 14 B6R0.3 C[C@H](ON)C(=O)O AT14512 [0,0,0,0,0,0|4,0,0]=4 15 B6R0.3 C[C@H](ON)C(=O)O Y13476 [0,0,0,0,0,0|4,0,0]=4 16 B6R0.3 N#C[C@@H](Br)C(N)=O A11896 [0,0,0,0,0,0|3,0,1]=4 17 B6R0.3 NC(=O)[C@@H](N)CO D75098 [0,0,0,0,0,0|3,0,0]=3 18 B6R0.3 NC[C@H](F)C(=O)O T73016 [0,0,0,0,0,0|3,0,0]=3 19 B6R0.3 NC[C@H](O)C(=O)O O10173 [0,0,0,0,0,0|2,1,0]=3 20 B6R0.3 N[C@@H](CCl)C(=O)O FD21124 [0,0,0,0,0,0|3,0,0]=3 21 B6R0.3 O=C(O)[C@@H](Br)CO A10085 [0,0,0,0,0,0|3,0,0]=3 22 B6R0.3 O=C(O)[C@@H](Br)CO AB19244 [0,0,0,0,0,0|3,0,0]=3 23 B6R0.3 O=C(O)[C@@H](O)CCl 84142 [0,0,0,0,0,0|2,1,0]=3 24 B5R0.1 C=C(C)CON F31248 [1,0,0,0,0,0|3,0,0]=4 25 B5R0.1 CCC[C@H](C)N P14575 [1,0,0,0,0,0|1,0,1]=3 26 B5R0.1 CCC[C@H](C)N Y10887 [1,0,0,0,0,0|1,0,1]=3 27 B5R0.1 CCOC(N)=S A11227 [1,0,0,0,0,0|2,1,0]=4 28 B5R0.1 CN(C)CCO D93012 [1,0,0,0,0,0|3,0,0]=4 29 B5R0.1 CNCC(=O)[O-] F20742 [1,0,0,0,0,0|2,0,0]=3 30 B5R0.1 CNC[C@H](C)O AC1157 [1,0,0,0,0,0|1,0,2]=4 31 B5R0.1 CNC[C@H](C)O N12528 [1,0,0,0,0,0|1,0,2]=4 32 B5R0.1 COC[C@H](C)Br 78860 [1,0,0,0,0,0|2,0,1]=4 33 B5R0.1 COC[C@H](C)N 25526 [1,0,0,0,0,0|2,0,1]=4 34 B5R0.1 COC[C@H](C)N D95458 [1,0,0,0,0,0|2,0,1]=4 35 B5R0.1 COC[C@H](C)N W17998 [1,0,0,0,0,0|2,0,1]=4 36 B5R0.1 C[C@H](O)CCN 83616 [1,0,0,0,0,0|1,0,2]=4 37 B5R0.1 C[S+](C)CCCl 77752 [1,0,0,0,0,0|3,0,0]=4 38 B5R0.1 C\C(I)=C/CI AC8880 [1,0,0,0,0,0|2,0,1]=4 39 B5R0.1 C\C(I)=C\CI AC3855 [1,0,0,0,0,0|2,0,1]=4 40 B5R0.1 N#CCC(=O)[O-] D70707 [1,0,0,0,0,0|2,0,1]=4 41 B5R0.3 C=C[C@@H](N)CO 52208 [1,0,0,0,0,0|2,0,1]=4 42 B5R0.3 C=C[C@@H](N)CO 52209 [1,0,0,0,0,0|2,0,1]=4 43 B5R0.3 C=C[C@@H](N)CO 52211 [1,0,0,0,0,0|2,0,1]=4 44 B5R0.3 C=C[C@@H](O)CO 56500 [1,0,0,0,0,0|1,1,1]=4 45 B5R0.3 CC[C@H](C)CN 88665 [1,0,0,0,0,0|2,0,1]=4 46 B5R0.3 CC[C@H](N)C#N 98383 [1,0,0,0,0,0|2,0,1]=4 47 B5R0.3 CC[PH](=O)CC C77650 [1,0,0,0,0,0|1,1,1]=4 48 B5R0.3 CN[C@@H](C)CO AC8719 [1,0,0,0,0,0|3,0,0]=4 49 B5R0.3 CN[C@@H](C)CO C77593 [1,0,0,0,0,0|3,0,0]=4 50 B5R0.3 CN[C@@H](C)CO D80042 [1,0,0,0,0,0|3,0,0]=4 51 B5R0.3 CN[C@@H](C)CO D80344 [1,0,0,0,0,0|3,0,0]=4 52 B5R0.3 CN[C@@H](C)CO D82586 [1,0,0,0,0,0|3,0,0]=4 53 B5R0.3 CO[C@@H](C)CN 91001 [1,0,0,0,0,0|3,0,0]=4 54 B5R0.3 CO[C@@H](C)CO 91002 [1,0,0,0,0,0|3,0,0]=4 55 B5R0.5 CC(=O)C(N)=S 93979 [1,0,0,0,0,0|1,0,2]=4 56 B5R0.5 CC(=O)[C@H](C)N D76571 [1,0,0,0,0,0|1,0,0]=2 57 B5R0.5 CC(=S)N(C)C 76921 [1,0,0,0,0,0|2,1,0]=4 58 B5R0.5 C[C@H](N)C(N)=O 25148 [1,0,0,0,0,0|2,0,0]=3 59 B5R0.5 C[C@H](O)C(=N)N 71516 [1,0,0,0,0,0|2,1,0]=4 60 B5R0.5 C[C@H](O)[C@H](C)O C91323 [1,0,0,0,0,0|0,1,2]=4 61 B7R0.5 C#CC[C@H](N)C(=O)O C73254 [0,1,0,0,0,0|2,0,1]=4 62 B7R0.5 C#CC[C@H](N)C(=O)O F12349 [0,1,0,0,0,0|2,0,1]=4 63 B7R0.5 C=CC[C@H](N)C(=O)O 67602 [0,1,0,0,0,0|2,0,1]=4 64 B7R0.5 CC(=O)[C@@H](Cl)CCO 74627 [0,1,0,0,0,0|1,0,0]=2 65 B7R0.5 CC(C)[C@@H](O)CCN 83602 [0,1,0,0,0,0|1,1,1]=4 66 B7R0.5 CCCC(Br)C(C)Br D81745 [0,1,0,0,0,0|2,0,1]=4 67 B7R0.5 CCC[C@H](O)C(=O)O 77792 [0,1,0,0,0,0|1,1,0]=3 68 B7R0.5 CNC[C@H](N)C(=O)O N10392 [0,1,0,0,0,0|2,0,0]=3 69 B7R0.5 COC[C@H](Br)C(=O)O C76037 [0,1,0,0,0,0|2,0,0]=3 70 B7R0.5 COC[C@H](Cl)C(=O)O T70661 [0,1,0,0,0,0|2,0,0]=3 71 B7R0.5 C[Se]C[C@H](N)C(=O)O D95282 [0,1,0,0,0,0|2,0,0]=3 72 B7R0.5 NCC[C@H](F)C(=O)O D71941 [0,1,0,0,0,0|2,0,0]=3 73 B7R0.5 NCC[C@H](N)C(=O)O FD1070 [0,1,0,0,0,0|2,0,0]=3 74 B7R0.5 N[C@@H](CCS)C(=O)O C11384 [0,1,0,0,0,0|2,0,0]=3 75 B7R0.5 N[C@@H](CCS)C(=O)O I11579 [0,1,0,0,0,0|2,0,0]=3 76 B7R0.10 C=C(CCl)C(=O)OC 36746 [0,1,0,0,0,0|2,0,1]=4 77 B7R0.10 CC[C@@H](C)[C@@H](N)CO 73347 [0,1,0,0,0,0|2,0,1]=4 78 B7R0.10 CC[C@H](Br)C(=O)OC D86786 [0,1,0,0,0,0|1,0,0]=2 79 B7R0.10 CC[C@H](O)C(=O)OC 98375 [0,1,0,0,0,0|0,1,0]=2 80 B7R0.10 CN[C@@H](C)C(=O)OC D84514 [0,1,0,0,0,0|2,0,0]=3 81 B7R0.10 COC(=O)[C@@H](Br)CO AB21729 [0,1,0,0,0,0|2,0,0]=3 82 B7R0.10 COC(=O)[C@@H](C)CBr T71508 [0,1,0,0,0,0|2,0,0]=3 83 B7R0.10 COC(=O)[C@@H](Cl)CCl D77820 [0,1,0,0,0,0|2,0,0]=3 84 B7R0.10 COC(=O)[C@@H](N)CCl FD3044 [0,1,0,0,0,0|2,0,0]=3 85 B7R0.10 COC(=O)[C@@H](O)CN AC4978 [0,1,0,0,0,0|1,1,0]=3 86 B7R0.10 COC(=O)[C@@H](O)CN D97235 [0,1,0,0,0,0|1,1,0]=3 87 B7R0.10 COC(=O)[C@@H](O)CO FD9041 [0,1,0,0,0,0|1,1,0]=3 88 B7R0.13 CC(=O)C(C)(C)C#N Y10746 [0,1,0,0,0,0|2,0,1]=4 89 B7R0.13 CC(=O)C(C)(C)CO Y13534 [0,1,0,0,0,0|2,0,0]=3 90 B7R0.13 CC(C)(CN)C(=O)O D76726 [0,1,0,0,0,0|3,0,0]=4 91 B7R0.13 CCC(C)(C)[S@@](N)=O 97000 [0,1,0,0,0,0|3,0,0]=4 92 B7R0.13 CCC(C)(C)[S@@](N)=O 97001 [0,1,0,0,0,0|3,0,0]=4 93 B7R0.13 CC[C@](C)(N)C(=O)O 63927 [0,1,0,0,0,0|2,0,0]=3 94 B7R0.13 CC[C@](C)(N)C(=O)O F12073 [0,1,0,0,0,0|2,0,0]=3 95 B7R0.13 CC[C@](C)(O)C(=O)O D78565 [0,1,0,0,0,0|1,1,0]=3 96 B7R0.13 COC(C)(C)C(N)=O Y13489 [0,1,0,0,0,0|3,0,0]=4 97 B7R0.13 C[C@](Cl)(CCl)C(=O)O W18728 [0,1,0,0,0,0|3,0,0]=4 98 B7R0.13 C[C@](N)(CO)C(=O)O 64334 [0,1,0,0,0,0|3,0,0]=4 99 B7R0.13 NCC(F)(F)C(=O)O 51202 [0,1,0,0,0,0|3,0,0]=4 100 B7R0.15 CCN(CC)C(=O)Cl F20301 [0,1,0,0,0,0|3,0,0]=4 101 B7R0.15 CC[C@@H](CO)C(C)C C74656 [0,1,0,0,0,0|1,1,1]=4 102 B7R0.15 CC[C@H](NC)C(=O)O W18322 [0,1,0,0,0,0|2,0,0]=3 103 B7R0.15 CC[C@H](OC)C(=O)O AC6372 [0,1,0,0,0,0|1,1,0]=3 104 B7R0.15 CN[C@@H](CO)C(=O)O F11106 [0,1,0,0,0,0|2,1,0]=4 105 B7R0.16 CC(=O)C(N)C(C)=O F17513 [0,1,0,0,0,0|1,0,1]=3 106 B7R0.16 CC(C)[C@H](C)C(=O)O F17074 [0,1,0,0,0,0|2,0,0]=3 107 B7R0.16 CC(C)[C@H](C)C(=O)O I11272 [0,1,0,0,0,0|2,0,0]=3 108 B7R0.16 CC(C)[C@H](N)C(N)=O AC1523 [0,1,0,0,0,0|2,0,0]=3 109 B7R0.16 C[C@@H](C(=O)O)N(C)C FD21039 [0,1,0,0,0,0|3,0,0]=4 110 B7R0.16 C[C@@H](C(=O)O)N(C)C FD21040 [0,1,0,0,0,0|3,0,0]=4 111 B7R0.16 C[C@H](O)[C@H](N)C(=O)O T70290 [0,1,0,0,0,0|2,0,0]=3 112 B7R1.4 BrC1=C(Br)CCC1 79351 [0,0,0,1,0,0|2,0,1]=4 113 B7R1.4 Br[C@H]1CCC[C@@H]1Br D97021 [0,0,0,1,0,0|2,0,1]=4 114 B7R1.4 CN1CCNC1=O 81682 [0,0,0,1,0,0|3,0,0]=4 115 B7R1.4 C[C@@H]1CCC[C@@H]1N 72991 [0,0,0,1,0,0|2,0,1]=4 116 B7R1.4 C[C@@H]1CCC[C@@H]1O 72407 [0,0,0,1,0,0|1,0,2]=4 117 B7R1.4 C[C@H]1CCC[C@@H]1O 71002 [0,0,0,1,0,0|1,0,2]=4 118 B7R1.4 NC1CCCC1N F16273 [0,0,0,1,0,0|2,0,1]=4 119 B7R1.4 NN1CCOC1=O S10190 [0,0,0,1,0,0|3,0,0]=4 120 B7R1.4 N[C@@H]1CCC[C@@H]1O P10925 [0,0,0,1,0,0|1,0,2]=4 121 B7R1.4 N[C@H]1CCC[C@@H]1F P17786 [0,0,0,1,0,0|2,0,1]=4 122 B7R1.4 N[C@H]1CCC[C@@H]1N F16352 [0,0,0,1,0,0|2,0,1]=4 123 B7R1.4 N[C@H]1CCC[C@@H]1O 71753 [0,0,0,1,0,0|1,0,2]=4 124 B7R1.4 N[C@H]1CCC[C@H]1N I12005 [0,0,0,1,0,0|2,0,1]=4 125 B7R1.4 N[C@H]1CCNC1=O 51276 [0,0,0,1,0,0|2,0,0]=3 126 B7R1.4 N[C@H]1CCNC1=O 51277 [0,0,0,1,0,0|2,0,0]=3 127 B7R1.4 N[C@H]1CCNC1=O 51278 [0,0,0,1,0,0|2,0,0]=3 128 B7R1.4 N[C@H]1CCNC1=O F14678 [0,0,0,1,0,0|2,0,0]=3 129 B7R1.4 N[C@H]1CCSC1=O O10218 [0,0,0,1,0,0|2,0,0]=3 130 B7R1.4 N[C@H]1CONC1=O FD3007 [0,0,0,1,0,0|3,0,0]=4 131 B7R1.4 O=C1NCC[C@@H]1Br 78555 [0,0,0,1,0,0|2,0,0]=3 132 B7R1.4 O=C1OCC[C@@H]1O F14291 [0,0,0,1,0,0|1,1,0]=3 133 B7R1.4 O[C@H]1CCC=C1Br D79898 [0,0,0,1,0,0|1,1,1]=4 134 B7R1.8 CO[C@H]1CCC1=O P17941 [0,0,0,1,0,0|2,0,0]=3 135 B7R1.8 O=C1CC[C@@H]1CO P13853 [0,0,0,1,0,0|2,0,0]=3 136 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O P12613 [0,0,0,1,0,0|2,0,0]=3 137 B7R1.12 C[C@H]1C[C@@H]1C(=O)O 72828 [0,0,0,1,0,0|2,0,0]=3 138 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I CS3201 [0,0,0,1,0,0|3,0,0]=4 139 B7R1.12 O=C(O)[C@H]1C[C@@H]1F P15680 [0,0,0,1,0,0|3,0,0]=4 140 B7R1.17 CC1(C)CC[C@@H]1N AT10475 [0,0,0,1,0,0|2,0,1]=4 141 B7R1.18 CC(=O)C1COC1 79962 [0,0,0,1,0,0|2,0,0]=3 142 B7R1.18 C[C@H](N)C1CCC1 93060 [0,0,0,1,0,0|2,0,1]=4 143 B7R1.18 C[C@H](N)C1CCC1 93062 [0,0,0,1,0,0|2,0,1]=4 144 B7R1.18 NC(=O)C1CCC1 20365 [0,0,0,1,0,0|2,0,0]=3 145 B7R1.18 NC(=O)[C@@H]1CCN1 20741 [0,0,0,1,0,0|2,0,0]=3 146 B7R1.18 NC(=O)[C@@H]1CCN1 21273 [0,0,0,1,0,0|2,0,0]=3 147 B7R1.18 O=C(O)C1=CCC1 P16818 [0,0,0,1,0,0|2,0,1]=4 148 B7R1.18 O=C(O)C1COC1 81314 [0,0,0,1,0,0|3,0,0]=4 149 B7R1.18 O=C(O)C1CSC1 P12604 [0,0,0,1,0,0|3,0,0]=4 150 B7R1.18 O=C(O)[C@@H]1CCO1 32900 [0,0,0,1,0,0|1,1,0]=3 151 B7R1.18 O=[N+]([O-])C1CCC1 30647 [0,0,0,1,0,0|3,0,0]=4 152 B7R1.19 CC(=O)C1(Cl)CC1 D86180 [0,0,0,1,0,0|1,0,0]=2 153 B7R1.19 CC(C)C1(O)CC1 P17163 [0,0,0,1,0,0|1,1,1]=4 154 B7R1.19 NC(=O)C1(Br)CC1 D85812 [0,0,0,1,0,0|2,0,0]=3 155 B7R1.19 NC(=O)C1(N)CC1 72646 [0,0,0,1,0,0|2,0,0]=3 156 B7R1.19 NC(=O)C1(N)CC1 P15295 [0,0,0,1,0,0|2,0,0]=3 157 B7R0.2 CC[C@H](C)CC(=O)O 63986 [0,0,0,0,0,1|2,0,0]=3 158 B7R0.2 CC[C@H](C)CC(C)=O A11862 [0,0,0,0,0,1|1,0,0]=2 159 B7R0.2 CC[C@H](N)CC(=O)O 51922 [0,0,0,0,0,1|2,0,0]=3 160 B7R0.2 CC[C@H](N)CC(=O)O 52000 [0,0,0,0,0,1|2,0,0]=3 161 B7R0.2 CC[C@H](O)CC(=O)O C14017 [0,0,0,0,0,1|1,1,0]=3 162 B7R0.2 CO\C(C)=C/C(C)=O D93418 [0,0,0,0,0,1|2,0,1]=4 163 B7R0.2 N[C@H](CO)CC(=O)O D95019 [0,0,0,0,0,1|3,0,0]=4 164 B7R0.2 N[C@H](CO)CC(=O)O F14029 [0,0,0,0,0,1|3,0,0]=4 165 B4R0.1 C=C[C@H](C)N 81150 [2,0,0,0,0,0|1,0,1]=4 166 B4R0.1 C=C[C@H](C)N C77628 [2,0,0,0,0,0|1,0,1]=4 167 B4R0.1 C=C[C@H](C)N N11410 [2,0,0,0,0,0|1,0,1]=4 168 B4R0.1 CC(C)CBr P19652 [2,0,0,0,0,0|2,0,0]=4 169 B4R0.1 CC[C@H](C)N 74047 [2,0,0,0,0,0|1,0,0]=3 170 B4R0.1 C[C@H](Br)CN F11189 [2,0,0,0,0,0|2,0,0]=4 171 B4R0.1 C[C@H](Br)CO W17591 [2,0,0,0,0,0|2,0,0]=4 172 B4R0.1 C[C@H](Cl)CN Y14715 [2,0,0,0,0,0|2,0,0]=4 173 B4R0.1 C[C@H](N)CF AC1136 [2,0,0,0,0,0|2,0,0]=4 174 B4R0.1 C[C@H](N)CF AC6177 [2,0,0,0,0,0|2,0,0]=4 175 B4R0.1 C\C=C(\C)Br D93160 [2,0,0,0,0,0|1,0,1]=4 176 B4R0.1 NCC(=O)O A10882 [2,0,0,0,0,0|2,0,0]=4 177 B4R0.1 NCC(=O)O T72551 [2,0,0,0,0,0|2,0,0]=4 178 B4R0.1 O=C([O-])C[O-] 47204 [2,0,0,0,0,0|1,1,0]=4 179 B4R0.2 CCCCN T70838 [2,0,0,0,0,0|1,0,1]=4 180 B4R0.2 CCONC AT14498 [2,0,0,0,0,0|2,0,0]=4 181 B4R0.2 COCCI A50601 [2,0,0,0,0,0|2,0,0]=4 182 B4R0.2 CSCCN D73275 [2,0,0,0,0,0|2,0,0]=4 183 B6R0.1 CCC[C@@H](Br)CC D78429 [1,1,0,0,0,0|1,0,1]=4 184 B6R0.1 CCC[C@H](N)CO C13482 [1,1,0,0,0,0|1,0,1]=4 185 B6R0.1 CCNC(=O)CO 79517 [1,1,0,0,0,0|1,0,0]=3 186 B6R0.1 CNC(=O)CCN C75423 [1,1,0,0,0,0|1,0,0]=3 187 B6R0.1 CNC(=O)CCO AC6610 [1,1,0,0,0,0|1,0,0]=3 188 B6R0.1 CNC(=O)CCS A11187 [1,1,0,0,0,0|1,0,0]=3 189 B6R0.1 COC(=O)OCCl R10013 [1,1,0,0,0,0|2,0,0]=4 190 B6R0.1 NNC(=O)CCO C77491 [1,1,0,0,0,0|2,0,0]=4 191 B6R0.2 CC(=O)CC(=O)[O-] T70807 [1,1,0,0,0,0|1,0,1]=4 192 B6R0.2 CC(=O)\C=C(\C)[O-] F16607 [1,1,0,0,0,0|0,0,2]=4 193 B6R0.2 CC(=O)\C=C(\C)[O-] T70322 [1,1,0,0,0,0|0,0,2]=4 194 B6R0.2 CC(=O)\C=C(\C)[O-] T71766 [1,1,0,0,0,0|0,0,2]=4 195 B6R0.2 CC(=O)\C=C(\C)[O-] T71857 [1,1,0,0,0,0|0,0,2]=4 196 B6R0.2 CC(Br)CC(C)Br T70499 [1,1,0,0,0,0|1,0,1]=4 197 B6R0.2 CC(C)CC(N)=O C75541 [1,1,0,0,0,0|1,0,0]=3 198 B6R0.2 CC(C)NC(N)=O 44261 [1,1,0,0,0,0|2,0,0]=4 199 B6R0.2 C[C@H](N)CN(C)C 76720 [1,1,0,0,0,0|2,0,0]=4 200 B6R0.2 C[C@H](O)CC(=O)O C10552 [1,1,0,0,0,0|1,0,0]=3 201 B6R0.2 C[C@H](O)CN(C)C A11394 [1,1,0,0,0,0|2,0,0]=4 202 B6R0.4 C#CCNC(C)=O 78861 [1,1,0,0,0,0|0,0,2]=4 203 B6R0.4 C=C(C)CCCBr 71968 [1,1,0,0,0,0|1,0,0]=3 204 B6R0.4 C=CCCC(=O)Cl F16765 [1,1,0,0,0,0|1,0,1]=4 205 B6R0.4 CC(=O)CCC=O P17049 [1,1,0,0,0,0|0,0,1]=3 206 B6R0.4 CC(=O)CCCBr 25631 [1,1,0,0,0,0|0,0,0]=2 207 B6R0.4 CC(=O)OCCN W11955 [1,1,0,0,0,0|1,0,0]=3 208 B6R0.4 CCOCC(=O)O D73862 [1,1,0,0,0,0|1,0,0]=3 209 B6R0.4 CCOC[C@H](C)N 75202 [1,1,0,0,0,0|1,0,1]=4 210 B6R0.4 C[C@H](Cl)CCCCl A11066 [1,1,0,0,0,0|1,0,1]=4 211 B6R0.4 NC(=O)OCCO A11395 [1,1,0,0,0,0|2,0,0]=4 212 B6R0.4 NCCCC(N)=O C72206 [1,1,0,0,0,0|1,0,0]=3 213 B6R0.4 O=C([O-])CNCO F20522 [1,1,0,0,0,0|2,0,0]=4 214 B6R0.5 CCCP(=O)(O)O C15829 [1,1,0,0,0,0|2,0,0]=4 215 B6R0.5 CS(=O)(=O)CCBr AC1299 [1,1,0,0,0,0|2,0,0]=4 216 B6R0.8 CC(C)(C=O)CCl C90225 [1,1,0,0,0,0|2,0,0]=4 217 B6R0.9 CCC(C#N)CC AC1599 [1,1,0,0,0,0|1,0,1]=4 218 B6R0.7 CC(=O)C(C)(C)N 71804 [1,1,0,0,0,0|1,0,0]=3 219 B6R0.7 CC(C)(C)C(=O)[O-] C71251 [1,1,0,0,0,0|2,0,0]=4 220 B6R0.7 CC(C)(Cl)C(=O)Cl S11011 [1,1,0,0,0,0|2,0,0]=4 221 B6R0.7 CC(C)(S)C(=O)O F17054 [1,1,0,0,0,0|1,0,0]=3 222 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O FD21836 [0,1,0,0,0,1|2,0,0]=4 223 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O C90303 [0,1,0,0,0,1|2,0,0]=4 224 B8R0.5 CCCC(=O)CC(C)=O 79568 [0,1,0,0,0,1|0,1,1]=4 225 B8R0.5 CCC[C@H](C)CC(C)=O D93522 [0,1,0,0,0,1|1,0,0]=3 226 B8R0.5 CCC[C@H](N)CC(=O)O C76010 [0,1,0,0,0,1|2,0,0]=4 227 B8R0.19 CC[C@H](N)CC(=O)OC N12944 [0,1,0,0,0,1|1,0,0]=3 228 B8R0.19 CC[C@H](O)CC(=O)OC C15791 [0,1,0,0,0,1|0,1,0]=3 229 B8R0.19 COC(=O)C[C@H](O)CCl A11858 [0,1,0,0,0,1|1,1,0]=4 230 B8R0.19 COC(=O)N[C@@H](C)CN D95526 [0,1,0,0,0,1|2,0,0]=4 231 B8R0.23 CC(=O)O[C@@H](C)C(C)=O H10680 [0,1,0,0,0,1|1,0,1]=4 232 B8R0.23 CC(C)[C@@H](N)CC(=O)O 29560 [0,1,0,0,0,1|2,0,0]=4 233 B8R0.23 CC(C)[C@@H](N)CC(=O)O 62353 [0,1,0,0,0,1|2,0,0]=4 234 B8R0.24 CC[C@H](C)OS(C)(=O)=O 38073 [0,1,0,0,0,1|2,0,0]=4 235 B8R0.3 C=CC[C@H](N)C(=O)OC 50494 [0,2,0,0,0,0|1,0,1]=4 236 B8R0.3 C=CC[C@H](N)C(=O)OC 78270 [0,2,0,0,0,0|1,0,1]=4 237 B8R0.3 CCCC(=O)C(=O)OC T72754 [0,2,0,0,0,0|0,1,1]=4 238 B8R0.3 CCOC(=O)[C@@H](O)CC T72564 [0,2,0,0,0,0|0,1,0]=3 239 B8R0.3 COC(=O)[C@@H](N)CCBr 52036 [0,2,0,0,0,0|1,0,0]=3 240 B8R0.3 COC[C@H](N)C(=O)OC C73433 [0,2,0,0,0,0|1,0,0]=3 241 B8R0.8 C=CCC[C@H](N)C(=O)O F12088 [0,2,0,0,0,0|2,0,0]=4 242 B8R0.8 C=CCC[C@H](N)C(=O)O F15989 [0,2,0,0,0,0|2,0,0]=4 243 B8R0.8 CCCC[C@H](N)C(N)=O C77276 [0,2,0,0,0,0|2,0,0]=4 244 B8R0.8 CCCC[C@H](O)C(=O)O C11377 [0,2,0,0,0,0|1,1,0]=4 245 B8R0.8 C[Se]CC[C@H](N)C(=O)O F20529 [0,2,0,0,0,0|2,0,0]=4 246 B8R0.12 CC(C)(CCCl)C(=O)Cl AC1915 [0,2,0,0,0,0|2,0,0]=4 247 B8R0.12 CCOC(C)(C)C(N)=O Y13484 [0,2,0,0,0,0|2,0,0]=4 248 B8R0.15 CCC[C@@H](CO)C(=O)O 62408 [0,2,0,0,0,0|1,1,0]=4 249 B8R0.15 CCC[C@H](CC)C(=O)O F19344 [0,2,0,0,0,0|2,0,0]=4 250 B8R0.13 COC(=O)[C@@](C)(N)CO D77168 [0,2,0,0,0,0|2,0,0]=4 251 B8R0.20 CCN(CC)C(=O)CN D95088 [0,2,0,0,0,0|2,0,0]=4 252 B8R0.20 CC[C@@H](CO)C(=O)OC AB9727 [0,2,0,0,0,0|0,1,0]=3 253 B8R0.20 CC[C@H](C#N)C(=O)OC Y14710 [0,2,0,0,0,0|1,0,0]=3 254 B8R0.20 COC(=O)C(CN)CN N13257 [0,2,0,0,0,0|2,0,0]=4 255 B8R0.36 CCC(N)(CC)C(=O)O 20649 [0,2,0,0,0,0|2,0,0]=4 256 B8R0.36 CCC(N)(CC)C(N)=O A10077 [0,2,0,0,0,0|2,0,0]=4 257 B8R0.37 CC(C)[C@](C)(N)C(=O)O O10056 [0,2,0,0,0,0|2,0,0]=4 258 B8R0.27 CC(C)(C)[C@H](N)C(=O)O C14699 [0,2,0,0,0,0|2,0,0]=4 259 B8R0.27 CC(C)(C)[C@H](O)C(=O)O 62402 [0,2,0,0,0,0|1,1,0]=4 260 B8R0.27 CC(C)(O)[C@H](N)C(=O)O 31225 [0,2,0,0,0,0|2,0,0]=4 261 B8R0.27 CC(C)(O)[C@H](N)C(=O)O 31227 [0,2,0,0,0,0|2,0,0]=4 262 B8R0.27 CC(C)(O)[C@H](N)C(=O)O 56185 [0,2,0,0,0,0|2,0,0]=4 263 B8R0.27 CC(C)(O)[C@H](N)C(=O)O 77791 [0,2,0,0,0,0|2,0,0]=4 264 B8R0.27 CC(C)(S)[C@H](N)C(=O)O I10039 [0,2,0,0,0,0|2,0,0]=4 265 B8R0.18 CC(C)[C@H](CN)C(=O)O 32008 [0,2,0,0,0,0|2,0,0]=4 266 B8R0.18 CC(C)[C@H](CN)C(=O)O 32570 [0,2,0,0,0,0|2,0,0]=4 267 B8R0.18 CC(C)[C@H](CN)C(=O)O 32574 [0,2,0,0,0,0|2,0,0]=4 268 B8R0.18 CC(C)[C@H](CN)C(=O)O F15099 [0,2,0,0,0,0|2,0,0]=4 269 B8R0.18 CN[C@H](C(=O)O)[C@@H](C)O C15482 [0,2,0,0,0,0|2,0,0]=4 270 B6R1.2 C=C1CCNC1 F13598 [1,0,0,1,0,0|2,0,0]=4 271 B6R1.2 NN1CCCC1 F13227 [1,0,0,1,0,0|2,0,0]=4 272 B6R1.2 NN1CCCC1 S12058 [1,0,0,1,0,0|2,0,0]=4 273 B6R1.2 O=C1CNCN1 25530 [1,0,0,1,0,0|2,0,0]=4 274 B6R1.5 CC1CC(=O)C1 P12177 [1,0,0,1,0,0|0,0,0]=2 275 B6R1.5 CC1CC(N)C1 72358 [1,0,0,1,0,0|1,0,1]=4 276 B6R1.5 CN1CC(=O)C1 P15929 [1,0,0,1,0,0|1,0,0]=3 277 B6R1.5 C[C@H]1CC(=O)O1 AT19323 [1,0,0,1,0,0|1,0,0]=3 278 B6R1.5 C[C@H]1C[C@@H](N)C1 P18428 [1,0,0,1,0,0|1,0,1]=4 279 B6R1.5 C[C@H]1C[C@H](N)C1 D79129 [1,0,0,1,0,0|1,0,1]=4 280 B6R1.5 O=C1CC(O)C1 P12929 [1,0,0,1,0,0|1,0,0]=3 281 B6R1.10 CC1(N)CCC1 P10590 [1,0,0,1,0,0|1,0,1]=4 282 B6R1.10 CC1(N)CCC1 P10892 [1,0,0,1,0,0|1,0,1]=4 283 B6R1.10 CC1(O)CCC1 83777 [1,0,0,1,0,0|0,0,2]=4 284 B6R1.11 C[C@H](N)C1CC1 N10509 [1,0,0,1,0,0|1,0,1]=4 285 B6R1.11 C[C@H](N)C1CC1 W12229 [1,0,0,1,0,0|1,0,1]=4 286 B6R1.11 C[C@H](O)C1CC1 C77522 [1,0,0,1,0,0|0,0,2]=4 287 B6R1.11 C[C@H](O)C1CC1 C77523 [1,0,0,1,0,0|0,0,2]=4 288 B6R1.11 O=C([O-])[C@@H]1CO1 50549 [1,0,0,1,0,0|2,0,0]=4 289 B6R1.11 O=C([O-])[C@@H]1CO1 50593 [1,0,0,1,0,0|2,0,0]=4 290 B6R1.11 O=[S@]([O-])C1CC1 29996 [1,0,0,1,0,0|2,0,0]=4 291 B6R1.4 C[C@@H]1OCC1=O P16003 [1,0,0,1,0,0|2,0,0]=4 292 B6R1.4 C[C@H]1CCC1=O W18267 [1,0,0,1,0,0|1,0,0]=3 293 B6R1.4 C[C@H]1CNC1=O P20594 [1,0,0,1,0,0|2,0,0]=4 294 B6R1.4 O=C1CC[C@@H]1Br P18435 [1,0,0,1,0,0|1,0,0]=3 295 B6R1.6 CNC1CCC1 20929 [1,0,0,1,0,0|2,0,0]=4 296 B6R1.6 O=CC1COC1 84841 [1,0,0,1,0,0|2,0,0]=4 297 B8R1.1 NC[C@H]1CCC(=O)N1 D76501 [0,0,0,1,0,1|2,0,0]=4 298 B8R1.1 NC[C@H]1CCC(=O)N1 P10403 [0,0,0,1,0,1|2,0,0]=4 299 B8R1.1 NC[C@H]1CCC(=O)N1 P15844 [0,0,0,1,0,1|2,0,0]=4 300 B8R1.1 NC[C@H]1CCC(=O)N1 P18547 [0,0,0,1,0,1|2,0,0]=4 301 B8R1.1 NC[C@H]1CCC(=O)N1 P19760 [0,0,0,1,0,1|2,0,0]=4 302 B8R1.1 O=C1CC[C@H](CI)O1 AB22632 [0,0,0,1,0,1|2,0,0]=4 303 B8R1.1 O=C1CC[C@H](CO)C1 D79584 [0,0,0,1,0,1|2,0,0]=4 304 B8R1.1 O=C1CC[C@H](CO)O1 80970 [0,0,0,1,0,1|2,0,0]=4 305 B8R1.4 C=C1CCCC(=O)O1 D93802 [0,0,0,1,0,1|1,0,1]=4 306 B8R1.4 CN1CCCC(=O)C1 S10664 [0,0,0,1,0,1|2,0,0]=4 307 B8R1.4 C[C@H]1CC(=O)CCN1 37834 [0,0,0,1,0,1|2,0,0]=4 308 B8R1.4 C[C@H]1CC(=O)CCN1 37835 [0,0,0,1,0,1|2,0,0]=4 309 B8R1.4 C[C@H]1CC(=O)CCN1 37846 [0,0,0,1,0,1|2,0,0]=4 310 B8R1.4 C[C@H]1CC(=O)CCO1 P11761 [0,0,0,1,0,1|2,0,0]=4 311 B8R1.4 C[C@H]1CCNC(=O)C1 P11592 [0,0,0,1,0,1|2,0,0]=4 312 B8R1.4 C[C@H]1CCOC(=O)O1 W17381 [0,0,0,1,0,1|2,0,0]=4 313 B8R1.4 C[C@H]1CNCC(=O)N1 38273 [0,0,0,1,0,1|2,0,0]=4 314 B8R1.4 C[C@H]1CNCC(=O)N1 71648 [0,0,0,1,0,1|2,0,0]=4 315 B8R1.4 C[C@H]1CNCC(=O)N1 P10459 [0,0,0,1,0,1|2,0,0]=4 316 B8R1.4 N[C@H]1CCCC(=O)C1 20374 [0,0,0,1,0,1|1,0,0]=3 317 B8R1.4 N[C@H]1CCNC(=O)C1 27397 [0,0,0,1,0,1|2,0,0]=4 318 B8R1.4 O=C1C[C@@H](O)CCN1 68727 [0,0,0,1,0,1|1,1,0]=4 319 B8R1.4 O=C1C[C@@H](O)CCN1 68728 [0,0,0,1,0,1|1,1,0]=4 320 B8R1.18 CC1=CC(=O)C[C@@H]1C C74561 [0,0,0,1,0,1|1,0,1]=4 321 B8R1.18 C[C@@H]1NC(=O)C[C@@H]1O C90245 [0,0,0,1,0,1|1,1,0]=4 322 B8R1.31 N[C@H]1CC[C@H]1C(=O)O P15463 [0,0,0,1,0,1|2,0,0]=4 323 B8R1.34 CC(=O)CC1CCC1 D79207 [0,0,0,1,0,1|1,0,0]=3 324 B8R1.34 CC(=O)CC1COC1 CS1731 [0,0,0,1,0,1|2,0,0]=4 325 B8R1.34 CC(=O)OC1CNC1 C72427 [0,0,0,1,0,1|2,0,0]=4 326 B8R1.34 CC(=O)OC1CNC1 C76369 [0,0,0,1,0,1|2,0,0]=4 327 B8R1.62 CC1(CO)CC(=O)C1 39121 [0,0,0,1,0,1|2,0,0]=4 328 B8R1.5 C=C1CCCC[C@@H]1O D94315 [0,1,0,1,0,0|1,1,0]=4 329 B8R1.5 C[C@@H]1OCCNC1=O AC4099 [0,1,0,1,0,0|2,0,0]=4 330 B8R1.5 C[C@H]1CCCCC1=O D77719 [0,1,0,1,0,0|1,0,0]=3 331 B8R1.5 C[C@H]1CCCOC1=O AB4082 [0,1,0,1,0,0|1,0,0]=3 332 B8R1.5 C[C@H]1COCCC1=O 27832 [0,1,0,1,0,0|1,0,0]=3 333 B8R1.5 C[C@H]1CSCCC1=O 70869 [0,1,0,1,0,0|1,0,0]=3 334 B8R1.5 NN1CCCCC1=O C74639 [0,1,0,1,0,0|2,0,0]=4 335 B8R1.5 N[C@H]1CCCCC1=O C16242 [0,1,0,1,0,0|1,0,0]=3 336 B8R1.5 N[C@H]1CCCNC1=O 11355 [0,1,0,1,0,0|1,0,0]=3 337 B8R1.5 N[C@H]1CCCNC1=O 51546 [0,1,0,1,0,0|1,0,0]=3 338 B8R1.5 O=C1CCOC[C@@H]1Br RB3241 [0,1,0,1,0,0|1,0,0]=3 339 B8R1.5 O=C1NCCC[C@@H]1Br F30215 [0,1,0,1,0,0|1,0,0]=3 340 B8R1.5 O=C1NCCC[C@@H]1O 27231 [0,1,0,1,0,0|0,1,0]=3 341 B8R1.5 O=C1OCCC[C@@H]1O 27422 [0,1,0,1,0,0|0,1,0]=3 342 B8R1.7 CC(=O)[C@H]1CCOC1 79964 [0,1,0,1,0,0|0,1,0]=3 343 B8R1.7 CC(=O)[C@H]1NCCS1 C73779 [0,1,0,1,0,0|0,0,0]=2 344 B8R1.7 NC(=O)[C@H]1CCNC1 31795 [0,1,0,1,0,0|2,0,0]=4 345 B8R1.7 NC(=O)[C@H]1CCNC1 37190 [0,1,0,1,0,0|2,0,0]=4 346 B8R1.7 NC(=O)[C@H]1CCOC1 39026 [0,1,0,1,0,0|1,1,0]=4 347 B8R1.7 O=C(Cl)[C@@H]1CCCO1 P19141 [0,1,0,1,0,0|1,1,0]=4 348 B8R1.7 O=C(O)[C@@H]1CCCN1 D77952 [0,1,0,1,0,0|2,0,0]=4 349 B8R1.7 O=C(O)[C@@H]1COCN1 A11387 [0,1,0,1,0,0|2,0,0]=4 350 B8R1.7 O=C(O)[C@@H]1COCN1 C73113 [0,1,0,1,0,0|2,0,0]=4 351 B8R1.7 O=C(O)[C@H]1CCNC1 65432 [0,1,0,1,0,0|2,0,0]=4 352 B8R1.7 O=C(O)[C@H]1CCNC1 P10866 [0,1,0,1,0,0|2,0,0]=4 353 B8R1.7 O=C(O)[C@H]1CCOC1 59930 [0,1,0,1,0,0|1,1,0]=4 354 B8R1.7 O=C(O)[C@H]1CCOC1 66517 [0,1,0,1,0,0|1,1,0]=4 355 B8R1.19 CC1(C)CCNC1=O 79628 [0,1,0,1,0,0|2,0,0]=4 356 B8R1.19 CC1(C)OCCC1=O P18857 [0,1,0,1,0,0|2,0,0]=4 357 B8R1.23 NC1CC(C(=O)O)C1 38020 [0,1,0,1,0,0|2,0,0]=4 358 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 26939 [0,1,0,1,0,0|2,0,0]=4 359 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 36354 [0,1,0,1,0,0|2,0,0]=4 360 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 37102 [0,1,0,1,0,0|2,0,0]=4 361 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 P10391 [0,1,0,1,0,0|2,0,0]=4 362 B8R1.23 O=C(O)C1CC(Br)C1 D79265 [0,1,0,1,0,0|2,0,0]=4 363 B8R1.23 O=C(O)C1CC(F)C1 37218 [0,1,0,1,0,0|2,0,0]=4 364 B8R1.23 O=C(O)[C@H]1C[C@H](Br)C1 D79072 [0,1,0,1,0,0|2,0,0]=4 365 B8R1.23 O=C(O)[C@H]1C[C@H](Cl)C1 P15601 [0,1,0,1,0,0|2,0,0]=4 366 B8R1.54 N[C@H](C(=O)O)C1CC1 59339 [0,1,0,1,0,0|2,0,0]=4 367 B8R1.78 CC(=O)C1(C)COC1 32790 [0,1,0,1,0,0|1,0,0]=3 368 B8R1.78 C[C@@]1(C(=O)O)CCO1 P18488 [0,1,0,1,0,0|1,1,0]=4 369 B8R1.78 NC(=O)C1(N)COC1 P19028 [0,1,0,1,0,0|2,0,0]=4 370 B8R1.78 NC1(C(=O)O)CNC1 38052 [0,1,0,1,0,0|2,0,0]=4 371 B8R1.78 NC1(C(=O)O)CSC1 P11488 [0,1,0,1,0,0|2,0,0]=4 372 B8R1.78 O=C(O)C1(O)CCC1 F50565 [0,1,0,1,0,0|1,1,0]=4 373 B8R1.78 O=C(O)C1(O)CNC1 P12583 [0,1,0,1,0,0|1,1,0]=4 374 B8R1.11 CCC1=C(C)N=CS1 60935 [0,1,0,1,0,0|1,0,1]=4 375 B8R1.11 N#C[C@H]1COCC1=O P13840 [0,1,0,1,0,0|2,0,0]=4 376 B8R1.11 NC[C@H]1CCCC1=O 33703 [0,1,0,1,0,0|1,0,0]=3 377 B8R1.11 O=C1CCC[C@@H]1CO C73905 [0,1,0,1,0,0|0,1,0]=3 378 B8R1.11 O=C1NCC[C@@H]1CO P12214 [0,1,0,1,0,0|1,1,0]=4 379 B8R1.38 CCC(=O)C1COC1 D79147 [0,1,0,1,0,0|2,0,0]=4 380 B8R1.38 CNC(=O)C1CNC1 P20515 [0,1,0,1,0,0|2,0,0]=4 381 B8R1.38 COC(=O)C1COC1 81275 [0,1,0,1,0,0|2,0,0]=4 382 B8R1.38 COC(=O)[C@@H]1CCN1 38788 [0,1,0,1,0,0|1,0,0]=3 383 B8R1.38 O=C(CBr)N1CCC1 P20407 [0,1,0,1,0,0|2,0,0]=4 384 B8R1.39 O=C(CCl)C1(Cl)CC1 D88098 [0,1,0,1,0,0|1,0,0]=3 385 B8R1.50 CN1CCN(C)C1=O D77693 [0,1,0,1,0,0|2,0,0]=4 386 B8R1.50 CN1CC[C@H](Br)C1=O C77641 [0,1,0,1,0,0|1,0,0]=3 387 B8R1.50 CN1CC[C@H](N)C1=O 51274 [0,1,0,1,0,0|1,0,0]=3 388 B8R1.63 C#CC1(C(=O)O)CC1 93656 [0,1,0,1,0,0|2,0,0]=4 389 B8R1.63 CCC1(C(=O)O)CC1 P15303 [0,1,0,1,0,0|2,0,0]=4 390 B8R1.63 COC1(C(=O)O)CC1 92150 [0,1,0,1,0,0|1,1,0]=4 391 B8R1.63 NC(=O)C1(CO)CC1 AC2953 [0,1,0,1,0,0|1,1,0]=4 392 B8R1.63 O=C(O)C1(CBr)CC1 F30357 [0,1,0,1,0,0|2,0,0]=4 393 B8R1.63 O=C(O)C1(CO)CC1 F53113 [0,1,0,1,0,0|1,1,0]=4 394 B8R2.38 O=C1CCC2CC12 P19135 [0,0,0,2,0,0|1,0,0]=3 395 B8R2.38 O=C1CCC2OC12 60057 [0,0,0,2,0,0|0,1,0]=3 396 B8R2.19 O=C1CCC12CC2 P10135 [0,0,0,2,0,0|1,0,0]=3 397 B8R0.9 CC[C@H](C)COC(=O)Cl AC1638 [0,0,0,0,0,2|2,0,0]=4 398 B8R0.9 CC[C@H](Cl)CCC(=O)Cl AC1939 [0,0,0,0,0,2|2,0,0]=4