0 B6R0.1 CCC[C@@H](Br)CC D78429 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.1 CCC[C@H](N)CO C13482 [0,0,0,0,0,0|1,0,2]=3 2 B6R0.1 CCO[C@@H](C)CO 91003 [0,0,0,0,0,0|1,0,2]=3 3 B6R0.1 CC[C@H](S)CCO D84734 [0,0,0,0,0,0|3,0,1]=4 4 B6R0.1 COC[C@@H](O)CN 94767 [0,0,0,0,0,0|3,0,1]=4 5 B6R0.1 NCC[C@H](O)CO F51073 [0,0,0,0,0,0|2,0,2]=4 6 B6R0.1 N[C@H](CO)CCO AB10026 [0,0,0,0,0,0|2,0,2]=4 7 B6R0.1 N[C@H](CO)CCO AB10027 [0,0,0,0,0,0|2,0,2]=4 8 B6R0.1 N[C@H](CS)CCS F52529 [0,0,0,0,0,0|2,1,1]=4 9 B5R0.1 C=C(C)CON F31248 [1,0,0,0,0,0|2,0,1]=4 10 B5R0.1 C=CC[C@H](C)O 71459 [1,0,0,0,0,0|0,0,3]=4 11 B5R0.1 C=CC[C@H](C)O A12634 [1,0,0,0,0,0|0,0,3]=4 12 B5R0.1 CCC[C@H](C)N P14575 [1,0,0,0,0,0|1,0,0]=2 13 B5R0.1 CCC[C@H](C)N Y10887 [1,0,0,0,0,0|1,0,0]=2 14 B5R0.1 CN(C)CCO D93012 [1,0,0,0,0,0|2,0,1]=4 15 B5R0.1 CNCC(=O)[O-] F20742 [1,0,0,0,0,0|2,0,1]=4 16 B5R0.1 CNCC(F)F D86102 [1,0,0,0,0,0|3,0,0]=4 17 B5R0.1 CNC[C@H](C)O AC1157 [1,0,0,0,0,0|1,0,1]=3 18 B5R0.1 CNC[C@H](C)O N12528 [1,0,0,0,0,0|1,0,1]=3 19 B5R0.1 COC[C@H](C)Br 78860 [1,0,0,0,0,0|2,0,0]=3 20 B5R0.1 COC[C@H](C)N 25526 [1,0,0,0,0,0|2,0,0]=3 21 B5R0.1 COC[C@H](C)N D95458 [1,0,0,0,0,0|2,0,0]=3 22 B5R0.1 COC[C@H](C)N W17998 [1,0,0,0,0,0|2,0,0]=3 23 B5R0.1 C[C@H](N)CC#N 12486 [1,0,0,0,0,0|2,0,1]=4 24 B5R0.1 C[C@H](O)CC#N 87623 [1,0,0,0,0,0|1,0,2]=4 25 B5R0.1 C[C@H](O)CCN 83616 [1,0,0,0,0,0|1,0,1]=3 26 B5R0.1 C[C@H](O)CON O10313 [1,0,0,0,0,0|2,0,1]=4 27 B5R0.1 C[S+](C)CCCl 77752 [1,0,0,0,0,0|2,0,1]=4 28 B5R0.1 NCCC(F)F D77085 [1,0,0,0,0,0|3,0,0]=4 29 B5R0.1 OCCC(F)F P18054 [1,0,0,0,0,0|3,0,0]=4 30 B5R0.2 C#CCCC=C T71785 [1,0,0,0,0,0|1,0,2]=4 31 B5R0.2 C#CCCC=O 89357 [1,0,0,0,0,0|0,0,2]=3 32 B5R0.2 C#CCCCI C78094 [1,0,0,0,0,0|2,0,1]=4 33 B5R0.2 C#CCCCN 72839 [1,0,0,0,0,0|2,0,1]=4 34 B5R0.2 C#CCOCC C90311 [1,0,0,0,0,0|2,0,1]=4 35 B5R0.2 C=CCCNC W16107 [1,0,0,0,0,0|2,0,0]=3 36 B5R0.2 CCCCON 31644 [1,0,0,0,0,0|2,0,0]=3 37 B5R0.2 COCCCO D77912 [1,0,0,0,0,0|1,0,2]=4 38 B5R0.2 NCCCCCl F19552 [1,0,0,0,0,0|2,0,1]=4 39 B5R0.2 NNCCCO AB9423 [1,0,0,0,0,0|3,0,0]=4 40 B5R0.2 O=CCCCO 55817 [1,0,0,0,0,0|1,0,0]=2 41 B5R0.3 C=C[C@@H](N)CO 52208 [1,0,0,0,0,0|3,0,0]=4 42 B5R0.3 C=C[C@@H](N)CO 52209 [1,0,0,0,0,0|3,0,0]=4 43 B5R0.3 C=C[C@@H](N)CO 52211 [1,0,0,0,0,0|3,0,0]=4 44 B5R0.3 C=C[C@@H](O)CO 56500 [1,0,0,0,0,0|3,0,0]=4 45 B5R0.3 C=C[C@H](C)ON F31247 [1,0,0,0,0,0|3,0,0]=4 46 B5R0.3 CC[C@H](C)CN 88665 [1,0,0,0,0,0|1,0,1]=3 47 B5R0.3 CC[C@H](N)C#N 98383 [1,0,0,0,0,0|2,0,1]=4 48 B5R0.3 CN[C@@H](C)CO AC8719 [1,0,0,0,0,0|1,0,2]=4 49 B5R0.3 CN[C@@H](C)CO C77593 [1,0,0,0,0,0|1,0,2]=4 50 B5R0.3 CN[C@@H](C)CO D80042 [1,0,0,0,0,0|1,0,2]=4 51 B5R0.3 CN[C@@H](C)CO D80344 [1,0,0,0,0,0|1,0,2]=4 52 B5R0.3 CN[C@@H](C)CO D82586 [1,0,0,0,0,0|1,0,2]=4 53 B5R0.3 CO[C@@H](C)CN 91001 [1,0,0,0,0,0|2,0,1]=4 54 B5R0.3 CO[C@@H](C)CO 91002 [1,0,0,0,0,0|1,0,2]=4 55 B5R0.3 C[C@@H](CN)CCl 72948 [1,0,0,0,0,0|2,0,1]=4 56 B5R0.3 C[C@@H](CO)CBr AB3182 [1,0,0,0,0,0|1,0,2]=4 57 B7R0.2 C=C[C@@H](O)CC(C)C A12558 [0,1,0,0,0,0|2,0,0]=3 58 B7R0.2 CC(C)CN(C)N=O D93466 [0,1,0,0,0,0|2,0,0]=3 59 B7R0.2 CC[C@H](C)CC(C)=O A11862 [0,1,0,0,0,0|1,0,2]=4 60 B7R0.2 COC(C)CC(C)O 78061 [0,1,0,0,0,0|2,0,0]=3 61 B7R0.3 C=CC(=O)NCCC AB9941 [0,1,0,0,0,0|2,0,1]=4 62 B7R0.5 C#CC[C@H](N)C(=O)O C73254 [0,1,0,0,0,0|1,0,2]=4 63 B7R0.5 C#CC[C@H](N)C(=O)O F12349 [0,1,0,0,0,0|1,0,2]=4 64 B7R0.5 C=CC[C@H](N)C(=O)O 67602 [0,1,0,0,0,0|1,0,2]=4 65 B7R0.5 CC(=O)[C@@H](Cl)CCO 74627 [0,1,0,0,0,0|2,0,0]=3 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|1,0,0]=2 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[C@H](NC=O)C(=O)O FD21046 [0,1,0,0,0,0|2,0,1]=4 72 B7R0.5 C[Se]C[C@H](N)C(=O)O D95282 [0,1,0,0,0,0|2,0,0]=3 73 B7R0.5 NCC[C@H](F)C(=O)O D71941 [0,1,0,0,0,0|2,0,0]=3 74 B7R0.5 NCC[C@H](N)C(=O)O FD1070 [0,1,0,0,0,0|2,0,0]=3 75 B7R0.5 N[C@@H](CCS)C(=O)O C11384 [0,1,0,0,0,0|2,0,0]=3 76 B7R0.5 N[C@@H](CCS)C(=O)O I11579 [0,1,0,0,0,0|2,0,0]=3 77 B7R0.7 CCC[C@H](Br)CCBr D94373 [0,1,0,0,0,0|2,0,1]=4 78 B7R0.7 CCC[C@H](N)CCO AT20461 [0,1,0,0,0,0|1,0,2]=4 79 B7R0.7 CCC[C@H](N)CCO I11080 [0,1,0,0,0,0|1,0,2]=4 80 B7R0.7 CCC[C@H](N)CCO N12794 [0,1,0,0,0,0|1,0,2]=4 81 B7R0.10 CCC(C)[C@H](N)C#N AR2444 [0,1,0,0,0,0|2,0,1]=4 82 B7R0.10 CC[C@@H](C)[C@@H](N)CO 73347 [0,1,0,0,0,0|1,0,2]=4 83 B7R0.11 CC(C)(CO)CCO W16131 [0,1,0,0,0,0|1,0,2]=4 84 B7R0.11 CCC(C)(C)CCCl F50555 [0,1,0,0,0,0|2,0,1]=4 85 B7R0.11 CCCC(C)(C)C#N T70545 [0,1,0,0,0,0|1,0,1]=3 86 B7R0.11 CCC[C@](C)(N)C#N 20848 [0,1,0,0,0,0|1,0,1]=3 87 B7R0.11 COCC(C)(C)CO BL000418 [0,1,0,0,0,0|1,0,2]=4 88 B7R0.12 CCCC(CO)CO AB7729 [0,1,0,0,0,0|0,0,2]=3 89 B7R0.12 CCN(CCO)N=O T71710 [0,1,0,0,0,0|3,0,0]=4 90 B7R0.12 CCN[C@@H](CC)CO 29377 [0,1,0,0,0,0|1,0,2]=4 91 B7R1.1 BrC[C@H]1CCOC1 84096 [0,0,0,1,0,0|2,0,1]=4 92 B7R1.1 C=CC1CCCC1 T72385 [0,0,0,1,0,0|1,0,0]=2 93 B7R1.1 CC[C@H]1CCCN1 F16886 [0,0,0,1,0,0|2,0,1]=4 94 B7R1.1 CC[C@H]1CCNC1 P14869 [0,0,0,1,0,0|2,0,1]=4 95 B7R1.1 CN[C@H]1CCOC1 P18534 [0,0,0,1,0,0|3,0,0]=4 96 B7R1.1 CN[C@H]1CCOC1 P18535 [0,0,0,1,0,0|3,0,0]=4 97 B7R1.1 CO[C@H]1CCNC1 26935 [0,0,0,1,0,0|3,0,0]=4 98 B7R1.1 CO[C@H]1CCNC1 P10862 [0,0,0,1,0,0|3,0,0]=4 99 B7R1.1 FC[C@H]1CCCN1 37688 [0,0,0,1,0,0|2,0,1]=4 100 B7R1.1 FC[C@H]1CCCN1 P11073 [0,0,0,1,0,0|2,0,1]=4 101 B7R1.1 FC[C@H]1CCNC1 P18731 [0,0,0,1,0,0|2,0,1]=4 102 B7R1.1 N#C[C@@H]1CCCN1 37678 [0,0,0,1,0,0|2,0,1]=4 103 B7R1.1 N#C[C@@H]1CCCN1 68253 [0,0,0,1,0,0|2,0,1]=4 104 B7R1.1 N#C[C@@H]1CCCN1 68254 [0,0,0,1,0,0|2,0,1]=4 105 B7R1.1 N#C[C@@H]1CCCO1 31513 [0,0,0,1,0,0|2,0,1]=4 106 B7R1.1 N#C[C@H]1CCNC1 81493 [0,0,0,1,0,0|2,0,1]=4 107 B7R1.1 N#C[C@H]1CCNC1 81538 [0,0,0,1,0,0|2,0,1]=4 108 B7R1.1 N#C[C@H]1CCNC1 82703 [0,0,0,1,0,0|2,0,1]=4 109 B7R1.1 N#C[C@H]1CCOC1 39230 [0,0,0,1,0,0|2,0,1]=4 110 B7R1.1 N#C[C@H]1CCOC1 P12891 [0,0,0,1,0,0|2,0,1]=4 111 B7R1.1 NCC1CCCC1 P10292 [0,0,0,1,0,0|1,0,1]=3 112 B7R1.1 NC[C@H]1CCCN1 83159 [0,0,0,1,0,0|2,0,1]=4 113 B7R1.1 NC[C@H]1CCCO1 83007 [0,0,0,1,0,0|2,0,1]=4 114 B7R1.1 NC[C@H]1CCCO1 S11127 [0,0,0,1,0,0|2,0,1]=4 115 B7R1.1 NC[C@H]1CCOC1 37316 [0,0,0,1,0,0|2,0,1]=4 116 B7R1.1 NC[C@H]1CCOC1 68891 [0,0,0,1,0,0|2,0,1]=4 117 B7R1.1 NC[C@H]1CCOC1 P12031 [0,0,0,1,0,0|2,0,1]=4 118 B7R1.1 NNC1CCCC1 BL010355 [0,0,0,1,0,0|2,0,0]=3 119 B7R1.1 NOC1CCCC1 97655 [0,0,0,1,0,0|2,0,0]=3 120 B7R1.1 O=CC1=CCCC1 26227 [0,0,0,1,0,0|0,0,2]=3 121 B7R1.1 O=CC1=CCCO1 D79895 [0,0,0,1,0,0|1,0,2]=4 122 B7R1.1 OC[C@H]1CCCO1 66575 [0,0,0,1,0,0|1,0,2]=4 123 B7R1.1 OC[C@H]1CCNC1 24481 [0,0,0,1,0,0|1,0,2]=4 124 B7R1.1 OC[C@H]1CCNC1 29239 [0,0,0,1,0,0|1,0,2]=4 125 B7R1.1 OC[C@H]1CCNC1 30959 [0,0,0,1,0,0|1,0,2]=4 126 B7R1.1 OC[C@H]1CCOC1 37313 [0,0,0,1,0,0|1,0,2]=4 127 B7R1.1 OC[C@H]1CCOC1 37314 [0,0,0,1,0,0|1,0,2]=4 128 B7R1.1 [C-]#[N+]C1CCCC1 T71226 [0,0,0,1,0,0|2,0,0]=3 129 B7R1.2 C[C@@H]1C[C@H](O)CN1 F13013 [0,0,0,1,0,0|2,0,1]=4 130 B7R1.2 C[C@H]1CC[C@@H](C)N1 P17782 [0,0,0,1,0,0|2,0,1]=4 131 B7R1.2 C[C@H]1CC[C@H](C)N1 P19223 [0,0,0,1,0,0|2,0,1]=4 132 B7R1.2 O[C@@H]1C=C[C@H](O)C1 P10067 [0,0,0,1,0,0|3,0,0]=4 133 B7R1.3 CC1=CCNCC1 A11257 [0,0,0,1,0,0|2,0,1]=4 134 B7R1.3 C[C@H]1CCCCN1 C73894 [0,0,0,1,0,0|2,0,0]=3 135 B7R1.3 C[C@H]1CCCNC1 36405 [0,0,0,1,0,0|1,0,1]=3 136 B7R1.3 C[C@H]1CNCCO1 24564 [0,0,0,1,0,0|2,0,1]=4 137 B7R1.3 C[C@H]1CNCCO1 27729 [0,0,0,1,0,0|2,0,1]=4 138 B7R1.3 C[C@H]1CNCCO1 F13460 [0,0,0,1,0,0|2,0,1]=4 139 B7R1.3 C[C@H]1CNCCO1 P11013 [0,0,0,1,0,0|2,0,1]=4 140 B7R1.3 C[C@H]1COCCN1 72593 [0,0,0,1,0,0|1,0,2]=4 141 B7R1.3 F[C@H]1CCCNC1 37161 [0,0,0,1,0,0|2,0,1]=4 142 B7R1.3 F[C@H]1CCCNC1 37162 [0,0,0,1,0,0|2,0,1]=4 143 B7R1.3 N[C@@H]1C=CCCC1 D84435 [0,0,0,1,0,0|2,0,0]=3 144 B7R1.3 N[C@H]1CCCNC1 C72133 [0,0,0,1,0,0|2,0,1]=4 145 B7R1.3 N[C@H]1CCCOC1 F10442 [0,0,0,1,0,0|1,0,2]=4 146 B7R1.3 O[C@@H]1C=CCNC1 S11183 [0,0,0,1,0,0|3,0,0]=4 147 B7R1.3 O[C@H]1CCCOC1 P10754 [0,0,0,1,0,0|1,0,2]=4 148 B7R1.3 O[C@H]1CCCOC1 P10755 [0,0,0,1,0,0|1,0,2]=4 149 B7R1.3 S[C@H]1CCCNC1 P11853 [0,0,0,1,0,0|2,0,1]=4 150 B7R1.4 BrC1=C(Br)CCC1 79351 [0,0,0,1,0,0|2,0,1]=4 151 B7R1.4 Br[C@H]1CCC[C@@H]1Br D97021 [0,0,0,1,0,0|2,0,1]=4 152 B7R1.4 CC1=CCOC1=O T72100 [0,0,0,1,0,0|1,0,2]=4 153 B7R1.4 CC1CNCC1C P18713 [0,0,0,1,0,0|2,0,1]=4 154 B7R1.4 CN1CCN=C1N W16176 [0,0,0,1,0,0|3,0,0]=4 155 B7R1.4 CN1CCNC1=O 81682 [0,0,0,1,0,0|2,0,0]=3 156 B7R1.4 C[C@@H]1CCC[C@@H]1N 72991 [0,0,0,1,0,0|1,0,1]=3 157 B7R1.4 C[C@@H]1CCC[C@@H]1O 72407 [0,0,0,1,0,0|0,0,2]=3 158 B7R1.4 C[C@@H]1CNC[C@@H]1F 73104 [0,0,0,1,0,0|2,0,1]=4 159 B7R1.4 C[C@@H]1CNC[C@@H]1N F13008 [0,0,0,1,0,0|2,0,1]=4 160 B7R1.4 C[C@@H]1CNC[C@@H]1O 72981 [0,0,0,1,0,0|1,0,2]=4 161 B7R1.4 C[C@H]1CCC[C@@H]1O 71002 [0,0,0,1,0,0|0,0,2]=3 162 B7R1.4 C[C@H]1CNC[C@@H]1O 72668 [0,0,0,1,0,0|1,0,2]=4 163 B7R1.4 C[C@H]1COC[C@@H]1N P16382 [0,0,0,1,0,0|2,0,1]=4 164 B7R1.4 C[C@H]1COC[C@@H]1O 73077 [0,0,0,1,0,0|1,0,2]=4 165 B7R1.4 NC1CCCC1N F16273 [0,0,0,1,0,0|2,0,1]=4 166 B7R1.4 NN1CCOC1=O S10190 [0,0,0,1,0,0|3,0,0]=4 167 B7R1.4 N[C@@H]1CCC[C@@H]1O P10925 [0,0,0,1,0,0|1,0,2]=4 168 B7R1.4 N[C@H]1CCC[C@@H]1F P17786 [0,0,0,1,0,0|2,0,1]=4 169 B7R1.4 N[C@H]1CCC[C@@H]1N F16352 [0,0,0,1,0,0|2,0,1]=4 170 B7R1.4 N[C@H]1CCC[C@@H]1O 71753 [0,0,0,1,0,0|1,0,2]=4 171 B7R1.4 N[C@H]1CCC[C@H]1N I12005 [0,0,0,1,0,0|2,0,1]=4 172 B7R1.4 N[C@H]1CCNC1=O 51276 [0,0,0,1,0,0|2,0,0]=3 173 B7R1.4 N[C@H]1CCNC1=O 51277 [0,0,0,1,0,0|2,0,0]=3 174 B7R1.4 N[C@H]1CCNC1=O 51278 [0,0,0,1,0,0|2,0,0]=3 175 B7R1.4 N[C@H]1CCNC1=O F14678 [0,0,0,1,0,0|2,0,0]=3 176 B7R1.4 N[C@H]1CCSC1=O O10218 [0,0,0,1,0,0|2,0,0]=3 177 B7R1.4 N[C@H]1CONC1=O FD3007 [0,0,0,1,0,0|3,0,0]=4 178 B7R1.4 O=C1NCC[C@@H]1Br 78555 [0,0,0,1,0,0|2,0,0]=3 179 B7R1.4 O=C1OCC[C@@H]1O F14291 [0,0,0,1,0,0|2,0,0]=3 180 B7R1.4 O[C@H]1CCC=C1Br D79898 [0,0,0,1,0,0|2,0,1]=4 181 B7R1.6 CCNC1CCC1 W19308 [0,0,0,1,0,0|2,0,1]=4 182 B7R1.6 CCNC1COC1 32797 [0,0,0,1,0,0|1,0,2]=4 183 B7R1.6 CCOC1CNC1 C16603 [0,0,0,1,0,0|2,0,1]=4 184 B7R1.6 CNCC1COC1 32854 [0,0,0,1,0,0|1,0,2]=4 185 B7R1.6 CNC[C@H]1CCO1 D96714 [0,0,0,1,0,0|3,0,0]=4 186 B7R1.6 COCC1CNC1 36064 [0,0,0,1,0,0|2,0,1]=4 187 B7R1.6 COCC1CNC1 37073 [0,0,0,1,0,0|2,0,1]=4 188 B7R1.6 COC[C@H]1CCN1 38829 [0,0,0,1,0,0|3,0,0]=4 189 B7R1.6 COC[C@H]1CCN1 P15803 [0,0,0,1,0,0|3,0,0]=4 190 B7R1.6 NCCC1CCC1 P10851 [0,0,0,1,0,0|2,0,1]=4 191 B7R1.6 NCCC1COC1 85783 [0,0,0,1,0,0|1,0,2]=4 192 B7R1.6 OCCC1CCC1 32129 [0,0,0,1,0,0|2,0,1]=4 193 B7R1.6 OCCC1CNC1 P16512 [0,0,0,1,0,0|2,0,1]=4 194 B7R1.6 OCCC1COC1 32759 [0,0,0,1,0,0|1,0,2]=4 195 B7R1.6 OCC[C@H]1CCO1 P17680 [0,0,0,1,0,0|3,0,0]=4 196 B7R1.9 NCC1CC1CO C14991 [0,0,0,1,0,0|1,0,2]=4 197 B7R1.9 NC[C@H]1C[C@@H]1CN D79389 [0,0,0,1,0,0|2,0,1]=4 198 B7R1.9 OC[C@H]1C[C@H]1CO P16470 [0,0,0,1,0,0|1,0,2]=4 199 B7R1.10 CC1CC(CN)C1 72944 [0,0,0,1,0,0|1,0,1]=3 200 B7R1.10 CN1CC(CN)C1 37075 [0,0,0,1,0,0|2,0,1]=4 201 B7R1.10 CN1CC(CO)C1 P17862 [0,0,0,1,0,0|1,0,2]=4 202 B7R1.10 CNC1CC(C)C1 72947 [0,0,0,1,0,0|2,0,0]=3 203 B7R1.10 CNC1CC(O)C1 37731 [0,0,0,1,0,0|3,0,0]=4 204 B7R1.10 CNC1CN(C)C1 38831 [0,0,0,1,0,0|3,0,0]=4 205 B7R1.10 CN[C@H]1C[C@@H](O)C1 P13897 [0,0,0,1,0,0|3,0,0]=4 206 B7R1.10 CN[C@H]1C[C@H](O)C1 38892 [0,0,0,1,0,0|3,0,0]=4 207 B7R1.10 COC1CC(N)C1 37221 [0,0,0,1,0,0|3,0,0]=4 208 B7R1.10 COC1CC(O)C1 R10063 [0,0,0,1,0,0|3,0,0]=4 209 B7R1.10 CO[C@H]1C[C@@H](N)C1 39167 [0,0,0,1,0,0|3,0,0]=4 210 B7R1.10 CO[C@H]1C[C@H](N)C1 39168 [0,0,0,1,0,0|3,0,0]=4 211 B7R1.10 N#CC1CC(I)C1 AT12394 [0,0,0,1,0,0|2,0,1]=4 212 B7R1.10 N#CC1CC(N)C1 37826 [0,0,0,1,0,0|2,0,1]=4 213 B7R1.10 N#C[C@H]1C[C@@H](N)C1 P16656 [0,0,0,1,0,0|2,0,1]=4 214 B7R1.10 N#C[C@H]1C[C@@H](O)C1 39462 [0,0,0,1,0,0|2,0,1]=4 215 B7R1.10 N#C[C@H]1C[C@H](N)C1 P17914 [0,0,0,1,0,0|2,0,1]=4 216 B7R1.10 NCC1CC(F)C1 38649 [0,0,0,1,0,0|2,0,1]=4 217 B7R1.10 NCC1CC(O)C1 37219 [0,0,0,1,0,0|2,0,1]=4 218 B7R1.10 NC[C@H]1C[C@H](O)C1 37659 [0,0,0,1,0,0|2,0,1]=4 219 B7R1.10 N[C@H]1C[C@@H](CO)C1 29808 [0,0,0,1,0,0|1,0,2]=4 220 B7R1.10 N[C@H]1C[C@@H](CO)C1 37494 [0,0,0,1,0,0|1,0,2]=4 221 B7R1.10 N[C@H]1C[C@H](CO)C1 37495 [0,0,0,1,0,0|1,0,2]=4 222 B7R1.10 OCC1CC(F)C1 72453 [0,0,0,1,0,0|1,0,2]=4 223 B7R1.10 OCC1CC(O)C1 N10548 [0,0,0,1,0,0|1,0,2]=4 224 B7R1.10 O[C@H]1C[C@@H](CF)C1 P21066 [0,0,0,1,0,0|2,0,1]=4 225 B7R1.21 CC1(CCO)CC1 P14058 [0,0,0,1,0,0|2,0,1]=4 226 B7R1.21 CC1(CCO)N=N1 F18261 [0,0,0,1,0,0|3,0,0]=4 227 B7R1.22 N[C@@H](CO)C1CC1 N11217 [0,0,0,1,0,0|1,0,2]=4 228 B7R1.22 N[C@@H](CO)C1CC1 P18914 [0,0,0,1,0,0|1,0,2]=4 229 B7R1.22 N[C@@H](CO)C1CC1 Y14567 [0,0,0,1,0,0|1,0,2]=4 230 B7R1.25 C#CC1(C)COC1 32903 [0,0,0,1,0,0|2,0,1]=4 231 B7R1.25 CC1(C#N)COC1 39057 [0,0,0,1,0,0|2,0,1]=4 232 B7R1.25 CC1(CF)CNC1 D79152 [0,0,0,1,0,0|2,0,1]=4 233 B7R1.25 CC1(CN)CNC1 80498 [0,0,0,1,0,0|2,0,1]=4 234 B7R1.25 CC1(CO)CCC1 90942 [0,0,0,1,0,0|0,0,2]=3 235 B7R1.25 CC1(CO)CNC1 73126 [0,0,0,1,0,0|1,0,2]=4 236 B7R1.25 CCC1(C)CNC1 D79218 [0,0,0,1,0,0|2,0,1]=4 237 B7R1.25 CNC1(C)COC1 39042 [0,0,0,1,0,0|3,0,0]=4 238 B7R1.25 C[C@]1(CN)CCO1 D79679 [0,0,0,1,0,0|2,0,1]=4 239 B7R1.25 C[C@]1(CN)CCO1 P20357 [0,0,0,1,0,0|2,0,1]=4 240 B7R1.25 C[C@]1(CO)CCN1 P18401 [0,0,0,1,0,0|1,0,2]=4 241 B7R1.25 N#CC1(N)CCC1 72155 [0,0,0,1,0,0|2,0,1]=4 242 B7R1.25 N#CC1(O)CCC1 F50564 [0,0,0,1,0,0|2,0,1]=4 243 B7R1.25 NC1(CO)CCC1 P11244 [0,0,0,1,0,0|1,0,2]=4 244 B7R1.25 NCC1(F)CCC1 85743 [0,0,0,1,0,0|2,0,1]=4 245 B7R1.25 NCC1(O)CCC1 27372 [0,0,0,1,0,0|2,0,1]=4 246 B7R1.25 OCC1(F)CCC1 85746 [0,0,0,1,0,0|1,0,2]=4 247 B7R1.25 OCC1(O)CCC1 AT20135 [0,0,0,1,0,0|1,0,2]=4 248 B4R0.1 C=C[C@H](C)N 81150 [2,0,0,0,0,0|2,0,0]=4 249 B4R0.1 C=C[C@H](C)N C77628 [2,0,0,0,0,0|2,0,0]=4 250 B4R0.1 C=C[C@H](C)N N11410 [2,0,0,0,0,0|2,0,0]=4 251 B4R0.1 CC(C)CBr P19652 [2,0,0,0,0,0|1,0,1]=4 252 B4R0.1 CC[C@H](C)N 74047 [2,0,0,0,0,0|1,0,0]=3 253 B4R0.1 C[C@H](Br)CN F11189 [2,0,0,0,0,0|2,0,0]=4 254 B4R0.1 C[C@H](Br)CO W17591 [2,0,0,0,0,0|2,0,0]=4 255 B4R0.1 C[C@H](Cl)CN Y14715 [2,0,0,0,0,0|2,0,0]=4 256 B4R0.1 C[C@H](N)CF AC1136 [2,0,0,0,0,0|2,0,0]=4 257 B4R0.1 C[C@H](N)CF AC6177 [2,0,0,0,0,0|2,0,0]=4 258 B4R0.2 BrCCCBr D77913 [2,0,0,0,0,0|2,0,0]=4 259 B4R0.2 CCCCN T70838 [2,0,0,0,0,0|1,0,0]=3 260 B4R0.2 CCONC AT14498 [2,0,0,0,0,0|2,0,0]=4 261 B4R0.2 COCCI A50601 [2,0,0,0,0,0|2,0,0]=4 262 B4R0.2 CSCCN D73275 [2,0,0,0,0,0|2,0,0]=4 263 B4R0.2 NCCCF 61303 [2,0,0,0,0,0|2,0,0]=4 264 B4R0.2 NCCCN T70045 [2,0,0,0,0,0|2,0,0]=4 265 B4R0.2 NCCCS A11074 [2,0,0,0,0,0|1,1,0]=4 266 B4R0.2 OCCCO D77845 [2,0,0,0,0,0|1,0,1]=4 267 B4R0.2 OCCCS D78398 [2,0,0,0,0,0|1,0,1]=4 268 B4R0.2 SCCCBr 77989 [2,0,0,0,0,0|1,1,0]=4 269 B6R0.2 CC(Br)CC(C)Br T70499 [1,1,0,0,0,0|1,0,0]=3 270 B6R0.2 CC(C)CC(N)=O C75541 [1,1,0,0,0,0|1,0,1]=4 271 B6R0.2 C[C@H](N)CN(C)C 76720 [1,1,0,0,0,0|1,0,1]=4 272 B6R0.2 C[C@H](O)CC(=O)O C10552 [1,1,0,0,0,0|1,0,1]=4 273 B6R0.2 C[C@H](O)CN(C)C A11394 [1,1,0,0,0,0|1,0,1]=4 274 B6R0.3 CC(C)[C@@H](C)CO D93394 [1,1,0,0,0,0|1,0,1]=4 275 B6R0.3 CCN(C)C(C)=O F19909 [1,1,0,0,0,0|1,0,1]=4 276 B6R0.3 CC[C@H](C)C(=O)O 88659 [1,1,0,0,0,0|1,0,1]=4 277 B6R0.3 CC[C@H](N)C(N)=O I10243 [1,1,0,0,0,0|1,0,1]=4 278 B6R0.3 CC[C@H](N)[C@@H](C)O N14663 [1,1,0,0,0,0|0,0,1]=3 279 B6R0.4 C=C(C)CCCBr 71968 [1,1,0,0,0,0|0,0,1]=3 280 B6R0.4 CC(=O)CCC=O P17049 [1,1,0,0,0,0|0,0,2]=4 281 B6R0.4 CC(=O)CCCBr 25631 [1,1,0,0,0,0|0,0,1]=3 282 B6R0.4 CC(=O)OCCN W11955 [1,1,0,0,0,0|1,0,1]=4 283 B6R0.4 CC(C)CCC=O 31143 [1,1,0,0,0,0|0,0,2]=4 284 B6R0.4 CC(C)OCCBr 33996 [1,1,0,0,0,0|1,0,1]=4 285 B6R0.4 CC(C)OCCN T71353 [1,1,0,0,0,0|1,0,1]=4 286 B6R0.4 CCOCC(=O)O D73862 [1,1,0,0,0,0|1,0,1]=4 287 B6R0.4 CCOC[C@H](C)N 75202 [1,1,0,0,0,0|1,0,0]=3 288 B6R0.4 C[C@H](Cl)CCCCl A11066 [1,1,0,0,0,0|1,0,0]=3 289 B6R0.4 NCCCC(N)=O C72206 [1,1,0,0,0,0|1,0,1]=4 290 B6R0.5 CC(C)(C)CCI D86336 [1,1,0,0,0,0|1,0,1]=4 291 B6R0.5 CC(C)(F)CCN W17442 [1,1,0,0,0,0|1,0,1]=4 292 B6R0.5 CC(C)(O)CCN A51232 [1,1,0,0,0,0|1,0,1]=4 293 B6R0.5 CCCP(=O)(O)O C15829 [1,1,0,0,0,0|2,0,0]=4 294 B6R0.5 CNCC(C)(C)F 85781 [1,1,0,0,0,0|1,0,1]=4 295 B6R0.5 CS(=O)(=O)CCBr AC1299 [1,1,0,0,0,0|2,0,0]=4 296 B6R0.6 C#CCCCCI C74272 [1,1,0,0,0,0|1,0,1]=4 297 B6R0.6 C#CCCCCN 79352 [1,1,0,0,0,0|1,0,1]=4 298 B6R0.6 C=CCNCCO W12833 [1,1,0,0,0,0|2,0,0]=4 299 B6R0.6 CCOCCCBr A11082 [1,1,0,0,0,0|1,0,1]=4 300 B6R0.6 CCOCCON W15834 [1,1,0,0,0,0|2,0,0]=4 301 B6R0.6 CNCCCCBr C74879 [1,1,0,0,0,0|1,0,1]=4 302 B6R0.6 CNCCCCN D80538 [1,1,0,0,0,0|1,0,1]=4 303 B6R0.6 N#CCCCCBr D77353 [1,1,0,0,0,0|1,0,1]=4 304 B6R0.6 NCCCCCBr 97997 [1,1,0,0,0,0|1,0,1]=4 305 B6R0.6 O=NCNCCO D93315 [1,1,0,0,0,0|2,0,0]=4 306 B6R0.6 OCCCCCO D77911 [1,1,0,0,0,0|0,0,2]=4 307 B6R0.8 CC(C)(C=O)CCl C90225 [1,1,0,0,0,0|1,0,0]=3 308 B6R0.8 CC[C@](C)(N)C#N 25874 [1,1,0,0,0,0|1,0,1]=4 309 B6R0.9 CCC(C#N)CC AC1599 [1,1,0,0,0,0|1,0,1]=4 310 B6R0.9 CCC(CBr)CBr W17735 [1,1,0,0,0,0|1,0,1]=4 311 B6R0.9 CC[C@@H](CN)CO Y13480 [1,1,0,0,0,0|0,0,2]=4 312 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O FD21836 [0,2,0,0,0,0|1,0,0]=3 313 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O C90303 [0,2,0,0,0,0|1,0,0]=3 314 B8R0.2 COC(=O)[C@@H](C)C(=O)O C74590 [0,2,0,0,0,0|1,0,1]=4 315 B8R0.2 CO[C@H](C)[C@H](N)C(=O)O A11792 [0,2,0,0,0,0|2,0,0]=4 316 B8R0.5 CCCC(=O)CC(C)=O 79568 [0,2,0,0,0,0|1,0,1]=4 317 B8R0.5 CCC[C@H](C)CC(C)=O D93522 [0,2,0,0,0,0|0,0,0]=2 318 B8R0.5 CCC[C@H](C)CC(C)C F17729 [0,2,0,0,0,0|1,0,1]=4 319 B8R0.5 CCC[C@H](N)CC(=O)O C76010 [0,2,0,0,0,0|1,0,0]=3 320 B8R0.5 CCC\C(C)=C\C(=O)O A11778 [0,2,0,0,0,0|0,0,1]=3 321 B8R0.23 C=C(C)C[C@H](N)C(=O)O FD21883 [0,2,0,0,0,0|1,0,1]=4 322 B8R0.23 C=C(CC(C)C)C(C)=O H11904 [0,2,0,0,0,0|0,0,2]=4 323 B8R0.23 CC(=O)O[C@@H](C)C(=O)O T70471 [0,2,0,0,0,0|1,0,1]=4 324 B8R0.23 CC(=O)O[C@@H](C)C(C)=O H10680 [0,2,0,0,0,0|1,0,1]=4 325 B8R0.23 CC(C)C[C@H]([15NH2])C(=O)O 41453 [0,2,0,0,0,0|1,0,0]=3 326 B8R0.23 CN(C)C[C@H](N)C(=O)O F19964 [0,2,0,0,0,0|2,0,0]=4 327 B8R0.1 CCCC[C@H](C)CCO D93301 [0,2,0,0,0,0|0,0,2]=4 328 B8R0.1 CCC[C@H](C)CCCO A12859 [0,2,0,0,0,0|0,0,2]=4 329 B8R0.3 CCCC(=O)C(=O)OC T72754 [0,2,0,0,0,0|1,0,1]=4 330 B8R0.3 COC(=O)[C@@H](N)CCBr 52036 [0,2,0,0,0,0|2,0,0]=4 331 B8R0.3 COC[C@H](N)C(=O)OC C73433 [0,2,0,0,0,0|2,0,0]=4 332 B8R0.8 C=CCC[C@H](N)C(=O)O F12088 [0,2,0,0,0,0|1,0,1]=4 333 B8R0.8 C=CCC[C@H](N)C(=O)O F15989 [0,2,0,0,0,0|1,0,1]=4 334 B8R0.8 CCCC[C@H](N)C(N)=O C77276 [0,2,0,0,0,0|1,0,0]=3 335 B8R0.8 CCCC[C@H](O)C(=O)O C11377 [0,2,0,0,0,0|1,0,0]=3 336 B8R0.8 C[Se]CC[C@H](N)C(=O)O F20529 [0,2,0,0,0,0|1,0,0]=3 337 B8R0.25 CCCCC(C)(C)C=O D93253 [0,2,0,0,0,0|0,0,0]=2 338 B8R0.25 CCCCC(C)(C)CO A12319 [0,2,0,0,0,0|0,0,2]=4 339 B8R0.12 C#CCC(C)(C)C(=O)O D95067 [0,2,0,0,0,0|0,0,2]=4 340 B8R0.12 C=CC[C@](C)(N)C(=O)O F12113 [0,2,0,0,0,0|0,0,2]=4 341 B8R0.12 CC(C)(CC#N)C(=O)O D84383 [0,2,0,0,0,0|1,0,1]=4 342 B8R0.12 CC(C)(CCCl)C(=O)Cl AC1915 [0,2,0,0,0,0|1,0,0]=3 343 B8R0.12 CCOC(C)(C)C(N)=O Y13484 [0,2,0,0,0,0|1,0,0]=3 344 B8R0.15 CCC[C@@H](CO)C(=O)O 62408 [0,2,0,0,0,0|0,0,0]=2 345 B8R0.15 CCC[C@H](CC)C(=O)O F19344 [0,2,0,0,0,0|0,0,0]=2 346 B8R0.13 CCC(=O)C(C)(C)C=O 31867 [0,2,0,0,0,0|0,0,1]=3 347 B8R0.13 COC(=O)C(C)(C)C=O C72545 [0,2,0,0,0,0|1,0,1]=4 348 B8R0.31 CCC[C@](N)(C#N)CC D84556 [0,2,0,0,0,0|1,0,1]=4 349 B6R1.2 C=C1CCNC1 F13598 [1,0,0,1,0,0|1,0,1]=4 350 B6R1.2 C[C@H]1CCNC1 69327 [1,0,0,1,0,0|1,0,1]=4 351 B6R1.2 C[C@H]1CCSC1 70016 [1,0,0,1,0,0|1,0,1]=4 352 B6R1.2 Cl[C@H]1CCNC1 W15835 [1,0,0,1,0,0|2,0,0]=4 353 B6R1.2 Cl[C@H]1CCOC1 N12419 [1,0,0,1,0,0|2,0,0]=4 354 B6R1.2 F[C@H]1CCNC1 P10396 [1,0,0,1,0,0|2,0,0]=4 355 B6R1.2 F[C@H]1CCNC1 P10397 [1,0,0,1,0,0|2,0,0]=4 356 B6R1.2 I[C@H]1CCOC1 37310 [1,0,0,1,0,0|2,0,0]=4 357 B6R1.2 I[C@H]1CCOC1 37311 [1,0,0,1,0,0|2,0,0]=4 358 B6R1.2 NN1CCCC1 F13227 [1,0,0,1,0,0|2,0,0]=4 359 B6R1.2 NN1CCCC1 S12058 [1,0,0,1,0,0|2,0,0]=4 360 B6R1.2 N[C@H]1CCSC1 70834 [1,0,0,1,0,0|2,0,0]=4 361 B6R1.2 O[C@H]1CCSC1 50208 [1,0,0,1,0,0|1,0,1]=4 362 B6R1.3 BrCCC1CC1 32177 [1,0,0,1,0,0|1,0,1]=4 363 B6R1.3 BrCC[C@H]1CO1 F20905 [1,0,0,1,0,0|1,0,1]=4 364 B6R1.3 CNCC1CC1 P11100 [1,0,0,1,0,0|1,0,1]=4 365 B6R1.3 ICCC1CC1 73383 [1,0,0,1,0,0|1,0,1]=4 366 B6R1.5 CC1CC(=O)C1 P12177 [1,0,0,1,0,0|0,0,1]=3 367 B6R1.5 CC1CC(N)C1 72358 [1,0,0,1,0,0|1,0,0]=3 368 B6R1.5 CN1CC(=O)C1 P15929 [1,0,0,1,0,0|1,0,1]=4 369 B6R1.5 CN1CC(Cl)C1 P18477 [1,0,0,1,0,0|2,0,0]=4 370 B6R1.5 CN1CC(N)C1 37022 [1,0,0,1,0,0|2,0,0]=4 371 B6R1.5 CN1CC(O)C1 37023 [1,0,0,1,0,0|1,0,1]=4 372 B6R1.5 C[C@H]1CC(=O)O1 AT19323 [1,0,0,1,0,0|1,0,1]=4 373 B6R1.5 C[C@H]1C[C@@H](N)C1 P18428 [1,0,0,1,0,0|1,0,0]=3 374 B6R1.5 C[C@H]1C[C@H](N)C1 D79129 [1,0,0,1,0,0|1,0,0]=3 375 B6R1.5 NC1CC(F)C1 80871 [1,0,0,1,0,0|2,0,0]=4 376 B6R1.5 NC1CC(N)C1 38579 [1,0,0,1,0,0|2,0,0]=4 377 B6R1.5 N[C@H]1C[C@@H](F)C1 P16188 [1,0,0,1,0,0|2,0,0]=4 378 B6R1.5 N[C@H]1C[C@@H](N)C1 38580 [1,0,0,1,0,0|2,0,0]=4 379 B6R1.5 N[C@H]1C[C@H](O)C1 31135 [1,0,0,1,0,0|1,0,1]=4 380 B6R1.5 O=C1CC(O)C1 P12929 [1,0,0,1,0,0|1,0,1]=4 381 B6R1.5 OC1CC(F)C1 80872 [1,0,0,1,0,0|1,0,1]=4 382 B6R1.5 OC1CC(O)C1 P18335 [1,0,0,1,0,0|1,0,1]=4 383 B6R1.5 O[C@H]1C[C@@H](O)C1 P20298 [1,0,0,1,0,0|1,0,1]=4 384 B6R1.5 O[C@H]1C[C@H](F)C1 38850 [1,0,0,1,0,0|1,0,1]=4 385 B6R1.8 C[C@H]1C[C@@H]1CO 72702 [1,0,0,1,0,0|1,0,1]=4 386 B6R1.8 OC[C@H]1C[C@@H]1F CS3459 [1,0,0,1,0,0|2,0,0]=4 387 B6R1.9 CC1(C)C[C@@H]1N 69330 [1,0,0,1,0,0|1,0,1]=4 388 B6R1.10 CC1(F)CNC1 88058 [1,0,0,1,0,0|2,0,0]=4 389 B6R1.10 CC1(N)CCC1 P10590 [1,0,0,1,0,0|1,0,0]=3 390 B6R1.10 CC1(N)CCC1 P10892 [1,0,0,1,0,0|1,0,0]=3 391 B6R1.10 CC1(N)COC1 52948 [1,0,0,1,0,0|2,0,0]=4 392 B6R1.10 CC1(N)CSC1 P16047 [1,0,0,1,0,0|2,0,0]=4 393 B6R1.10 CC1(O)CCC1 83777 [1,0,0,1,0,0|0,0,1]=3 394 B6R1.10 CC1(O)CNC1 54439 [1,0,0,1,0,0|1,0,1]=4 395 B6R1.10 CC1(O)CSC1 P15377 [1,0,0,1,0,0|1,0,1]=4 396 B6R1.11 C[C@H](N)C1CC1 N10509 [1,0,0,1,0,0|1,0,0]=3 397 B6R1.11 C[C@H](N)C1CC1 W12229 [1,0,0,1,0,0|1,0,0]=3 398 B6R1.11 C[C@H](O)C1CC1 C77522 [1,0,0,1,0,0|0,0,1]=3 399 B6R1.11 C[C@H](O)C1CC1 C77523 [1,0,0,1,0,0|0,0,1]=3 400 B6R1.11 O=[S@]([O-])C1CC1 29996 [1,0,0,1,0,0|2,0,0]=4 401 B6R1.1 C1CCNNC1 71659 [1,0,0,1,0,0|2,0,0]=4 402 B6R1.4 C[C@@H]1OCC1=O P16003 [1,0,0,1,0,0|1,0,0]=3 403 B6R1.4 C[C@H]1CCC1=O W18267 [1,0,0,1,0,0|0,0,0]=2 404 B6R1.4 C[C@H]1CNC1=O P20594 [1,0,0,1,0,0|1,0,0]=3 405 B6R1.4 O=C1CC[C@@H]1Br P18435 [1,0,0,1,0,0|1,0,0]=3 406 B6R1.6 CNC1CCC1 20929 [1,0,0,1,0,0|2,0,0]=4 407 B6R1.6 NNC1CCC1 AB1362 [1,0,0,1,0,0|2,0,0]=4 408 B6R1.6 NNC1CCC1 BL010353 [1,0,0,1,0,0|2,0,0]=4 409 B6R1.6 O=CC1COC1 84841 [1,0,0,1,0,0|1,0,0]=3 410 B6R1.7 CC1(CN)CC1 W10016 [1,0,0,1,0,0|1,0,1]=4 411 B8R1.1 CN1CC[C@H](CN)C1 P13795 [0,1,0,1,0,0|1,0,1]=4 412 B8R1.1 CN1CC[C@H](CN)C1 P13796 [0,1,0,1,0,0|1,0,1]=4 413 B8R1.1 CN1CC[C@H](CO)C1 22985 [0,1,0,1,0,0|0,0,2]=4 414 B8R1.1 CN1CC[C@H](CO)C1 37309 [0,1,0,1,0,0|0,0,2]=4 415 B8R1.1 CN[C@H]1CCN(C)C1 P12573 [0,1,0,1,0,0|2,0,0]=4 416 B8R1.1 COC1CCC(N)C1 33463 [0,1,0,1,0,0|2,0,0]=4 417 B8R1.1 COC1CCC(O)C1 P19125 [0,1,0,1,0,0|2,0,0]=4 418 B8R1.1 CO[C@H]1CC[C@@H](N)C1 P19923 [0,1,0,1,0,0|2,0,0]=4 419 B8R1.1 CO[C@H]1CC[C@H](N)C1 P17830 [0,1,0,1,0,0|2,0,0]=4 420 B8R1.1 N#CC1CCC(O)C1 W19383 [0,1,0,1,0,0|1,0,1]=4 421 B8R1.1 N#C[C@@H]1CC[C@H](O)C1 73072 [0,1,0,1,0,0|1,0,1]=4 422 B8R1.1 N#C[C@H]1CC[C@H](O)C1 73073 [0,1,0,1,0,0|1,0,1]=4 423 B8R1.1 NCC1CCC(F)C1 72980 [0,1,0,1,0,0|1,0,1]=4 424 B8R1.1 NCC1CCC(O)C1 72949 [0,1,0,1,0,0|1,0,1]=4 425 B8R1.1 NC[C@H]1CC[C@H](F)C1 72985 [0,1,0,1,0,0|1,0,1]=4 426 B8R1.4 C=C1CCCC(=O)O1 D93802 [0,1,0,1,0,0|0,0,2]=4 427 B8R1.4 CC1=CC(=O)OCC1 D93039 [0,1,0,1,0,0|1,0,1]=4 428 B8R1.4 CC1CC(N)CCO1 D78849 [0,1,0,1,0,0|2,0,0]=4 429 B8R1.4 CC1CC(N)CCO1 P16002 [0,1,0,1,0,0|2,0,0]=4 430 B8R1.4 CC1CC(O)CCN1 33466 [0,1,0,1,0,0|2,0,0]=4 431 B8R1.4 CC1CC(O)CCN1 P17258 [0,1,0,1,0,0|2,0,0]=4 432 B8R1.4 CC1CNCC(O)C1 AC5056 [0,1,0,1,0,0|1,0,1]=4 433 B8R1.4 CN1CCCC(=O)C1 S10664 [0,1,0,1,0,0|1,0,0]=3 434 B8R1.4 C[C@@H]1CCC[C@H](N)C1 D84824 [0,1,0,1,0,0|1,0,1]=4 435 B8R1.4 C[C@@H]1CNC[C@H](C)C1 F12546 [0,1,0,1,0,0|1,0,1]=4 436 B8R1.4 C[C@H]1CC(=O)CCN1 37834 [0,1,0,1,0,0|1,0,0]=3 437 B8R1.4 C[C@H]1CC(=O)CCN1 37835 [0,1,0,1,0,0|1,0,0]=3 438 B8R1.4 C[C@H]1CC(=O)CCN1 37846 [0,1,0,1,0,0|1,0,0]=3 439 B8R1.4 C[C@H]1CC(=O)CCO1 P11761 [0,1,0,1,0,0|1,0,0]=3 440 B8R1.4 C[C@H]1CCNC(=O)C1 P11592 [0,1,0,1,0,0|1,0,0]=3 441 B8R1.4 C[C@H]1CCOC(=O)O1 W17381 [0,1,0,1,0,0|1,0,0]=3 442 B8R1.4 C[C@H]1CNCC(=O)N1 38273 [0,1,0,1,0,0|1,0,0]=3 443 B8R1.4 C[C@H]1CNCC(=O)N1 71648 [0,1,0,1,0,0|1,0,0]=3 444 B8R1.4 C[C@H]1CNCC(=O)N1 P10459 [0,1,0,1,0,0|1,0,0]=3 445 B8R1.4 N[C@H]1CCCC(=O)C1 20374 [0,1,0,1,0,0|1,0,0]=3 446 B8R1.4 N[C@H]1CCNC(=O)C1 27397 [0,1,0,1,0,0|2,0,0]=4 447 B8R1.4 O=C1C[C@@H](O)CCN1 68727 [0,1,0,1,0,0|2,0,0]=4 448 B8R1.4 O=C1C[C@@H](O)CCN1 68728 [0,1,0,1,0,0|2,0,0]=4 449 B8R1.18 CN1C[C@@H](N)CC1=O P10878 [0,1,0,1,0,0|1,0,0]=3 450 B8R1.43 N#CC1CC1C(=O)O P14648 [0,1,0,1,0,0|1,0,1]=4 451 B8R1.43 N#C[C@H]1C[C@@H]1C(=O)O P14731 [0,1,0,1,0,0|1,0,1]=4 452 B8R1.43 N#C[C@H]1C[C@H]1C(=O)O P14732 [0,1,0,1,0,0|1,0,1]=4 453 B8R1.43 O=C(O)C1CC1CCl D85971 [0,1,0,1,0,0|1,0,0]=3 454 B8R1.43 O=C(O)[C@H]1C[C@@H]1CCl P19534 [0,1,0,1,0,0|1,0,0]=3 455 B8R1.53 CC1(C)CC(C=O)C1 93337 [0,1,0,1,0,0|0,0,0]=2 456 B8R1.53 CC1(C)CC(CBr)C1 P12135 [0,1,0,1,0,0|1,0,1]=4 457 B8R1.53 CC1(C)CC(CO)C1 P12134 [0,1,0,1,0,0|0,0,2]=4 458 B8R1.2 BrCC1=CCCCC1 37274 [0,1,0,1,0,0|1,0,1]=4 459 B8R1.2 BrC[C@H]1CCCNC1 AC3913 [0,1,0,1,0,0|1,0,1]=4 460 B8R1.2 BrC[C@H]1CCCOC1 38662 [0,1,0,1,0,0|0,0,2]=4 461 B8R1.2 C#CC1CCNCC1 P12507 [0,1,0,1,0,0|1,0,1]=4 462 B8R1.2 C#CC1CCOCC1 37550 [0,1,0,1,0,0|1,0,1]=4 463 B8R1.2 C#C[C@@H]1CCCCN1 CS2055 [0,1,0,1,0,0|1,0,1]=4 464 B8R1.2 C#C[C@H]1CCCNC1 P11150 [0,1,0,1,0,0|1,0,1]=4 465 B8R1.2 C#C[C@H]1CCCNC1 P11485 [0,1,0,1,0,0|1,0,1]=4 466 B8R1.2 CCC1CCNCC1 W10090 [0,1,0,1,0,0|1,0,1]=4 467 B8R1.2 CC[C@H]1CCCCN1 Y10457 [0,1,0,1,0,0|1,0,1]=4 468 B8R1.2 CNC1CCNCC1 Y10435 [0,1,0,1,0,0|2,0,0]=4 469 B8R1.2 CNC1CCSCC1 D93432 [0,1,0,1,0,0|2,0,0]=4 470 B8R1.2 ClCC1CCNCC1 P17439 [0,1,0,1,0,0|1,0,1]=4 471 B8R1.2 ClCC1CCOCC1 C77585 [0,1,0,1,0,0|1,0,1]=4 472 B8R1.2 ClC[C@H]1CCCCN1 87776 [0,1,0,1,0,0|1,0,1]=4 473 B8R1.2 FCC1CCNCC1 F10330 [0,1,0,1,0,0|1,0,1]=4 474 B8R1.2 FC[C@H]1CCCNC1 24250 [0,1,0,1,0,0|1,0,1]=4 475 B8R1.2 ICC1CCCCC1 AC1131 [0,1,0,1,0,0|1,0,1]=4 476 B8R1.2 IC[C@H]1CCCCO1 P19885 [0,1,0,1,0,0|1,0,1]=4 477 B8R1.2 IC[C@H]1CCCOC1 P20725 [0,1,0,1,0,0|0,0,2]=4 478 B8R1.2 N#CC1CCSCC1 29706 [0,1,0,1,0,0|1,0,1]=4 479 B8R1.2 N#C[C@@H]1CCCCN1 CS1001 [0,1,0,1,0,0|1,0,1]=4 480 B8R1.2 N#C[C@@H]1CCCCN1 P16178 [0,1,0,1,0,0|1,0,1]=4 481 B8R1.2 N#C[C@@H]1CCCCN1 P17459 [0,1,0,1,0,0|1,0,1]=4 482 B8R1.2 N#C[C@@H]1CCCCN1 P17460 [0,1,0,1,0,0|1,0,1]=4 483 B8R1.2 N#C[C@@H]1CCCCO1 W16123 [0,1,0,1,0,0|1,0,1]=4 484 B8R1.2 N#C[C@H]1CCCNC1 81492 [0,1,0,1,0,0|1,0,1]=4 485 B8R1.2 N#C[C@H]1CCCNC1 81537 [0,1,0,1,0,0|1,0,1]=4 486 B8R1.2 N#C[C@H]1CCCNC1 P11046 [0,1,0,1,0,0|1,0,1]=4 487 B8R1.2 N#C[C@H]1CCCNC1 P18961 [0,1,0,1,0,0|1,0,1]=4 488 B8R1.2 NCC1CCSCC1 P11855 [0,1,0,1,0,0|1,0,1]=4 489 B8R1.2 NCC1CCSCC1 P17457 [0,1,0,1,0,0|1,0,1]=4 490 B8R1.2 NC[C@H]1CCCOC1 SC1491 [0,1,0,1,0,0|0,0,2]=4 491 B8R1.2 NNC1CCNCC1 BL010349 [0,1,0,1,0,0|2,0,0]=4 492 B8R1.2 NNC1CCOCC1 F51905 [0,1,0,1,0,0|2,0,0]=4 493 B8R1.2 NNC1CCSCC1 BL010348 [0,1,0,1,0,0|2,0,0]=4 494 B8R1.2 NN[C@H]1CCCOC1 P17922 [0,1,0,1,0,0|2,0,0]=4 495 B8R1.2 O=CN1CCCCC1 D77795 [0,1,0,1,0,0|1,0,0]=3 496 B8R1.2 O=C[C@@H]1CCCCN1 62054 [0,1,0,1,0,0|0,0,0]=2 497 B8R1.2 O=C[C@@H]1CCCCO1 79885 [0,1,0,1,0,0|0,0,0]=2 498 B8R1.2 O=C[C@@H]1COCCO1 D78647 [0,1,0,1,0,0|1,0,0]=3 499 B8R1.2 O=C[C@H]1CCCOC1 79874 [0,1,0,1,0,0|0,0,0]=2 500 B8R1.2 O=NN1CCOCC1 T72681 [0,1,0,1,0,0|2,0,0]=4 501 B8R1.2 OC[C@H]1CCCNC1 36372 [0,1,0,1,0,0|0,0,2]=4 502 B8R1.2 OC[C@H]1CCCNC1 F14592 [0,1,0,1,0,0|0,0,2]=4 503 B8R1.2 OC[C@H]1CCCNC1 H10949 [0,1,0,1,0,0|0,0,2]=4 504 B8R1.2 OC[C@H]1CCCOC1 38674 [0,1,0,1,0,0|0,0,2]=4 505 B8R1.2 [C-]#[N+]C1CCOCC1 AC9405 [0,1,0,1,0,0|2,0,0]=4 506 B8R1.3 CC1CCC(O)CC1 D73186 [0,1,0,1,0,0|1,0,1]=4 507 B8R1.3 C[C@@H]1C=CC(=O)CC1 P17313 [0,1,0,1,0,0|1,0,1]=4 508 B8R1.3 C[C@H]1CC[C@H](O)CC1 A12839 [0,1,0,1,0,0|1,0,1]=4 509 B8R1.3 C[C@H]1CN[C@@H](C)CN1 38272 [0,1,0,1,0,0|1,0,1]=4 510 B8R1.3 C[C@H]1CN[C@@H](C)CN1 W12505 [0,1,0,1,0,0|1,0,1]=4 511 B8R1.3 C[C@H]1CO[C@@H](C)CN1 C15026 [0,1,0,1,0,0|0,0,2]=4 512 B8R1.5 C=C1CCCC[C@@H]1O D94315 [0,1,0,1,0,0|2,0,0]=4 513 B8R1.5 CC1CCNCC1O 38882 [0,1,0,1,0,0|0,0,2]=4 514 B8R1.5 CC1CNCCC1O 20765 [0,1,0,1,0,0|0,0,2]=4 515 B8R1.5 CC1CNCCC1O 33365 [0,1,0,1,0,0|0,0,2]=4 516 B8R1.5 CC1COCCC1N 33469 [0,1,0,1,0,0|0,0,2]=4 517 B8R1.5 C[C@@H]1CCCC[C@@H]1N Y10408 [0,1,0,1,0,0|1,0,1]=4 518 B8R1.5 C[C@@H]1CCCC[C@@H]1N Y10409 [0,1,0,1,0,0|1,0,1]=4 519 B8R1.5 C[C@@H]1COCC[C@@H]1N P14106 [0,1,0,1,0,0|0,0,2]=4 520 B8R1.5 C[C@@H]1OCCNC1=O AC4099 [0,1,0,1,0,0|1,0,0]=3 521 B8R1.5 C[C@H]1CCCCC1=O D77719 [0,1,0,1,0,0|0,0,0]=2 522 B8R1.5 C[C@H]1CCCN[C@H]1C P18680 [0,1,0,1,0,0|1,0,1]=4 523 B8R1.5 C[C@H]1CCCOC1=O AB4082 [0,1,0,1,0,0|0,0,0]=2 524 B8R1.5 C[C@H]1CCNC[C@@H]1O 38883 [0,1,0,1,0,0|0,0,2]=4 525 B8R1.5 C[C@H]1CNCCN1C 37822 [0,1,0,1,0,0|2,0,0]=4 526 B8R1.5 C[C@H]1CNCCN1C P11245 [0,1,0,1,0,0|2,0,0]=4 527 B8R1.5 C[C@H]1CNCCN1C Y10614 [0,1,0,1,0,0|2,0,0]=4 528 B8R1.5 C[C@H]1CNCC[C@@H]1O P15603 [0,1,0,1,0,0|0,0,2]=4 529 B8R1.5 C[C@H]1COCCC1=O 27832 [0,1,0,1,0,0|0,0,0]=2 530 B8R1.5 C[C@H]1COCC[C@@H]1N P15602 [0,1,0,1,0,0|0,0,2]=4 531 B8R1.5 C[C@H]1CSCCC1=O 70869 [0,1,0,1,0,0|0,0,0]=2 532 B8R1.5 NN1CCCCC1=O C74639 [0,1,0,1,0,0|2,0,0]=4 533 B8R1.5 N[C@H]1CCCCC1=O C16242 [0,1,0,1,0,0|1,0,0]=3 534 B8R1.5 N[C@H]1CCCNC1=O 11355 [0,1,0,1,0,0|1,0,0]=3 535 B8R1.5 N[C@H]1CCCNC1=O 51546 [0,1,0,1,0,0|1,0,0]=3 536 B8R1.5 O=C1CCOC[C@@H]1Br RB3241 [0,1,0,1,0,0|1,0,0]=3 537 B8R1.5 O=C1NCCC[C@@H]1Br F30215 [0,1,0,1,0,0|1,0,0]=3 538 B8R1.5 O=C1NCCC[C@@H]1O 27231 [0,1,0,1,0,0|1,0,0]=3 539 B8R1.5 O=C1OCCC[C@@H]1O 27422 [0,1,0,1,0,0|1,0,0]=3 540 B8R1.10 CCOCC1CNC1 D84845 [0,1,0,1,0,0|1,0,1]=4 541 B8R1.10 OCCCC1COC1 89590 [0,1,0,1,0,0|0,0,2]=4 542 B8R1.22 CC1CNCCNC1 70848 [0,1,0,1,0,0|1,0,1]=4 543 B8R1.22 C[C@H]1CCCCCN1 D79537 [0,1,0,1,0,0|1,0,1]=4 544 B8R1.22 C[C@H]1CCCCCN1 D79538 [0,1,0,1,0,0|1,0,1]=4 545 B8R1.22 C[C@H]1CCCCCN1 W10101 [0,1,0,1,0,0|1,0,1]=4 546 B8R1.22 C[C@H]1CCCCNC1 72971 [0,1,0,1,0,0|1,0,1]=4 547 B8R1.22 C[C@H]1CCNCCN1 70847 [0,1,0,1,0,0|2,0,0]=4 548 B8R1.22 C[C@H]1CNCCCO1 72856 [0,1,0,1,0,0|1,0,1]=4 549 B8R1.22 C[C@H]1CNCCOC1 73160 [0,1,0,1,0,0|0,0,2]=4 550 B8R1.38 CC[C@H](O)C1COC1 P20426 [0,1,0,1,0,0|0,0,2]=4 551 B8R1.38 CO[C@@H](C)C1CNC1 F20233 [0,1,0,1,0,0|2,0,0]=4 552 B8R1.41 CC1(CCCO)N=N1 F18366 [0,1,0,1,0,0|2,0,0]=4 553 B8R1.47 CCN1CC(CN)C1 P13012 [0,1,0,1,0,0|1,0,1]=4 554 B8R1.47 COC1CC(CN)C1 P19107 [0,1,0,1,0,0|1,0,1]=4 555 B8R1.47 COC1CC(CO)C1 P20964 [0,1,0,1,0,0|0,0,2]=4 556 B8R1.47 CO[C@H]1C[C@@H](CN)C1 P17262 [0,1,0,1,0,0|1,0,1]=4 557 B8R1.47 CO[C@H]1C[C@H](CN)C1 P17705 [0,1,0,1,0,0|1,0,1]=4 558 B8R1.47 N#CC1CC(CO)C1 D95192 [0,1,0,1,0,0|1,0,1]=4 559 B8R1.47 NCC1CC(CO)C1 P14791 [0,1,0,1,0,0|0,0,2]=4 560 B8R1.47 OCC1CC(CO)C1 P19528 [0,1,0,1,0,0|0,0,2]=4 561 B8R1.50 CN1C(=O)CCC1=O D70368 [0,1,0,1,0,0|1,0,1]=4 562 B8R1.50 CN1CCN(C)C1=N C11276 [0,1,0,1,0,0|2,0,0]=4 563 B8R1.50 CN1CCN(C)C1=O D77693 [0,1,0,1,0,0|1,0,0]=3 564 B8R1.50 CN1CC[C@H](Br)C1=O C77641 [0,1,0,1,0,0|1,0,0]=3 565 B8R1.50 CN1CC[C@H](N)C1=O 51274 [0,1,0,1,0,0|1,0,0]=3 566 B8R1.52 CC1(C=O)CCCC1 90941 [0,1,0,1,0,0|0,0,0]=2 567 B8R1.52 CC1(CN)CCCC1 72592 [0,1,0,1,0,0|1,0,1]=4 568 B8R1.52 CC1(CO)CCCC1 90940 [0,1,0,1,0,0|0,0,2]=4 569 B8R1.52 C[C@]1(C#N)CCNC1 53344 [0,1,0,1,0,0|1,0,1]=4 570 B8R1.52 C[C@]1(CN)CCCO1 P18524 [0,1,0,1,0,0|1,0,1]=4 571 B8R1.52 C[C@]1(CN)CCNC1 38021 [0,1,0,1,0,0|1,0,1]=4 572 B8R1.52 C[C@]1(CN)CCOC1 38929 [0,1,0,1,0,0|1,0,1]=4 573 B8R1.52 C[C@]1(CO)CCCN1 38943 [0,1,0,1,0,0|0,0,2]=4 574 B8R1.52 C[C@]1(CO)CCNC1 73010 [0,1,0,1,0,0|0,0,2]=4 575 B8R1.52 C[C@]1(CO)CCOC1 P13013 [0,1,0,1,0,0|0,0,2]=4 576 B8R1.52 NCC1(O)CCCC1 37961 [0,1,0,1,0,0|1,0,1]=4 577 B8R1.7 CC(=O)[C@H]1CCOC1 79964 [0,1,0,1,0,0|1,0,0]=3 578 B8R1.7 CC(=O)[C@H]1NCCS1 C73779 [0,1,0,1,0,0|2,0,0]=4 579 B8R1.7 C[C@H](N)C1CCCC1 66137 [0,1,0,1,0,0|1,0,1]=4 580 B8R1.7 C[C@H](N)C1CCCC1 83604 [0,1,0,1,0,0|1,0,1]=4 581 B8R1.7 N=C(N)[C@@H]1CCCN1 D72051 [0,1,0,1,0,0|2,0,0]=4 582 B8R1.7 N=C(N)[C@@H]1CCCO1 C75904 [0,1,0,1,0,0|2,0,0]=4 583 B8R1.7 NC(=O)N1CCCC1 32811 [0,1,0,1,0,0|1,0,0]=3 584 B8R1.7 NC(=O)[C@H]1CCNC1 31795 [0,1,0,1,0,0|1,0,0]=3 585 B8R1.7 NC(=O)[C@H]1CCNC1 37190 [0,1,0,1,0,0|1,0,0]=3 586 B8R1.7 NC(=O)[C@H]1CCOC1 39026 [0,1,0,1,0,0|1,0,0]=3 587 B8R1.7 O=C(Cl)[C@@H]1CCCO1 P19141 [0,1,0,1,0,0|1,0,0]=3 588 B8R1.7 O=C(O)[C@@H]1CCCN1 D77952 [0,1,0,1,0,0|1,0,0]=3 589 B8R1.7 O=C(O)[C@@H]1COCN1 A11387 [0,1,0,1,0,0|2,0,0]=4 590 B8R1.7 O=C(O)[C@@H]1COCN1 C73113 [0,1,0,1,0,0|2,0,0]=4 591 B8R1.7 O=C(O)[C@H]1CCNC1 65432 [0,1,0,1,0,0|1,0,0]=3 592 B8R1.7 O=C(O)[C@H]1CCNC1 P10866 [0,1,0,1,0,0|1,0,0]=3 593 B8R1.7 O=C(O)[C@H]1CCOC1 59930 [0,1,0,1,0,0|1,0,0]=3 594 B8R1.7 O=C(O)[C@H]1CCOC1 66517 [0,1,0,1,0,0|1,0,0]=3 595 B8R1.19 CC1(C)CCC[C@@H]1O D79630 [0,1,0,1,0,0|0,0,2]=4 596 B8R1.19 CC1(C)CCC[C@@H]1O D79631 [0,1,0,1,0,0|0,0,2]=4 597 B8R1.19 CC1(C)CCNC1=O 79628 [0,1,0,1,0,0|1,0,0]=3 598 B8R1.19 CC1(C)CCNC1=S W12656 [0,1,0,1,0,0|1,1,0]=4 599 B8R1.19 CC1(C)CONC1=O D73557 [0,1,0,1,0,0|2,0,0]=4 600 B8R1.19 CC1(C)OCCC1=O P18857 [0,1,0,1,0,0|1,0,0]=3 601 B8R1.19 C[C@]1(O)CCC[C@@H]1N D79341 [0,1,0,1,0,0|1,0,1]=4 602 B8R1.23 NC1CC(C(=O)O)C1 38020 [0,1,0,1,0,0|1,0,0]=3 603 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 26939 [0,1,0,1,0,0|1,0,0]=3 604 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 36354 [0,1,0,1,0,0|1,0,0]=3 605 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 37102 [0,1,0,1,0,0|1,0,0]=3 606 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 P10391 [0,1,0,1,0,0|1,0,0]=3 607 B8R1.23 O=C(O)C1CC(Br)C1 D79265 [0,1,0,1,0,0|1,0,0]=3 608 B8R1.23 O=C(O)C1CC(F)C1 37218 [0,1,0,1,0,0|1,0,0]=3 609 B8R1.23 O=C(O)[C@H]1C[C@H](Br)C1 D79072 [0,1,0,1,0,0|1,0,0]=3 610 B8R1.23 O=C(O)[C@H]1C[C@H](Cl)C1 P15601 [0,1,0,1,0,0|1,0,0]=3 611 B8R1.54 N[C@H](C(=O)O)C1CC1 59339 [0,1,0,1,0,0|1,0,0]=3 612 B8R1.78 CC(=O)C1(C)COC1 32790 [0,1,0,1,0,0|1,0,0]=3 613 B8R1.78 C[C@@]1(C(=O)O)CCO1 P18488 [0,1,0,1,0,0|1,0,0]=3 614 B8R1.78 NC(=O)C1(N)COC1 P19028 [0,1,0,1,0,0|2,0,0]=4 615 B8R1.78 NC1(C(=O)O)CNC1 38052 [0,1,0,1,0,0|2,0,0]=4 616 B8R1.78 NC1(C(=O)O)CSC1 P11488 [0,1,0,1,0,0|2,0,0]=4 617 B8R1.78 O=C(O)C1(O)CCC1 F50565 [0,1,0,1,0,0|1,0,0]=3 618 B8R1.78 O=C(O)C1(O)CNC1 P12583 [0,1,0,1,0,0|2,0,0]=4 619 B8R1.78 O=[N+]([O-])C1(Br)CCC1 AC1297 [0,1,0,1,0,0|2,0,0]=4 620 B8R1.6 CCCC1CC(=O)C1 D96728 [0,1,0,1,0,0|0,0,0]=2 621 B8R1.6 N#CCC1CC(=O)C1 P15944 [0,1,0,1,0,0|1,0,1]=4 622 B8R1.8 BrCCC1CCCC1 C78009 [0,1,0,1,0,0|1,0,1]=4 623 B8R1.8 C=CC[C@H]1CCCN1 N16954 [0,1,0,1,0,0|2,0,0]=4 624 B8R1.8 ClCCC1CCCC1 AC1057 [0,1,0,1,0,0|1,0,1]=4 625 B8R1.8 N#CC=C1CCCC1 20860 [0,1,0,1,0,0|1,0,1]=4 626 B8R1.8 NNCC1CCCC1 P11240 [0,1,0,1,0,0|1,0,1]=4 627 B8R1.8 O=CCC1CCCC1 F11683 [0,1,0,1,0,0|0,0,0]=2 628 B8R1.11 C#CC1CCCC1O 30575 [0,1,0,1,0,0|1,0,1]=4 629 B8R1.11 CN1CCC[C@@H]1CBr N13118 [0,1,0,1,0,0|1,0,1]=4 630 B8R1.11 CN1CCC[C@@H]1CCl D83790 [0,1,0,1,0,0|1,0,1]=4 631 B8R1.11 CN1CCC[C@@H]1CN 39178 [0,1,0,1,0,0|1,0,1]=4 632 B8R1.11 CN[C@@H]1CCC[C@@H]1O D96687 [0,1,0,1,0,0|0,0,2]=4 633 B8R1.11 CN[C@@H]1CCC[C@@H]1O D97032 [0,1,0,1,0,0|0,0,2]=4 634 B8R1.11 CN[C@H]1CCC[C@@H]1O D97028 [0,1,0,1,0,0|0,0,2]=4 635 B8R1.11 N#C[C@H]1COCC1=O P13840 [0,1,0,1,0,0|1,0,1]=4 636 B8R1.11 NCC1CCCC1N F20645 [0,1,0,1,0,0|1,0,1]=4 637 B8R1.11 NC[C@H]1CCCC1=O 33703 [0,1,0,1,0,0|0,0,0]=2 638 B8R1.11 O=C1CCC=C1CO E70389 [0,1,0,1,0,0|0,0,2]=4 639 B8R1.11 O=C1CCC[C@@H]1CO C73905 [0,1,0,1,0,0|0,0,0]=2 640 B8R1.11 O=C1NCC[C@@H]1CO P12214 [0,1,0,1,0,0|1,0,0]=3 641 B8R1.72 CC1(Br)CCCCC1 P19508 [0,1,0,1,0,0|1,0,1]=4 642 B8R1.72 C[C@]1(O)CCCNC1 37167 [0,1,0,1,0,0|1,0,1]=4 643 B8R1.72 C[C@]1(O)CCCNC1 P18955 [0,1,0,1,0,0|1,0,1]=4 644 B8R1.72 C[C@]1(O)CCCNC1 Y10737 [0,1,0,1,0,0|1,0,1]=4 645 B8R1.60 BrCC1(CBr)CCC1 AT23626 [0,1,0,1,0,0|1,0,1]=4 646 B8R1.60 NCC1(CN)CCC1 P12533 [0,1,0,1,0,0|1,0,1]=4 647 B8R2.22 C1CC2CNC2C1 D78832 [0,0,0,2,0,0|1,0,1]=4 648 B8R2.34 C1=C[C@@H]2CN[C@H]1C2 P10331 [0,0,0,2,0,0|2,0,0]=4 649 B8R2.34 C1CC2CC1CN2 D73537 [0,0,0,2,0,0|1,0,1]=4 650 B8R2.34 C1CC2CC1CN2 P10332 [0,0,0,2,0,0|1,0,1]=4 651 B8R2.34 C1CC2CCC1C2 F16610 [0,0,0,2,0,0|1,0,1]=4 652 B8R2.38 O=C1CCC2CC12 P19135 [0,0,0,2,0,0|0,0,0]=2 653 B8R2.38 O=C1CCC2OC12 60057 [0,0,0,2,0,0|1,0,0]=3 654 B8R2.25 C1CNC2CC2C1 70876 [0,0,0,2,0,0|1,0,1]=4 655 B8R2.42 C1CC2(C1)CCN2 38572 [0,0,0,2,0,0|2,0,0]=4 656 B8R2.42 C1CC2(C1)CCN2 83734 [0,0,0,2,0,0|2,0,0]=4 657 B8R2.42 C1CC2(C1)CNC2 54112 [0,0,0,2,0,0|1,0,1]=4 658 B8R2.42 C1CC2(C1)CNC2 P11104 [0,0,0,2,0,0|1,0,1]=4 659 B8R2.31 CNC12CC(C1)C2 P19611 [0,0,0,2,0,0|2,0,0]=4