0 B6R0.5 C#CCC(C)(C)O 77946 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.5 C=CCC(C)(C)C T71314 [0,0,0,0,0,0|2,0,1]=3 2 B6R0.5 C=CC[N+](C)(C)C AC2497 [0,0,0,0,0,0|1,0,1]=2 3 B6R0.5 CC(C)(C)C=NO AR2360 [0,0,0,0,0,0|2,0,1]=3 4 B6R0.5 CC(C)(C)CCI D86336 [0,0,0,0,0,0|2,0,0]=2 5 B6R0.5 CC(C)(F)CCN W17442 [0,0,0,0,0,0|3,0,0]=3 6 B6R0.5 CC(C)(O)CCN A51232 [0,0,0,0,0,0|3,0,0]=3 7 B6R0.5 CC(C)(O)CON AC7988 [0,0,0,0,0,0|4,0,0]=4 8 B6R0.5 CNCC(C)(C)F 85781 [0,0,0,0,0,0|4,0,0]=4 9 B6R0.5 CS(=O)(=O)CCBr AC1299 [0,0,0,0,0,0|4,0,0]=4 10 B6R0.5 C[Si](C)(C)CCS 74594 [0,0,0,0,0,0|1,1,0]=2 11 B6R0.5 C[Si](C)(C)\C=C\I 12266 [0,0,0,0,0,0|2,0,2]=4 12 B6R0.5 NS(=O)(=O)CCO 91995 [0,0,0,0,0,0|4,0,0]=4 13 B6R0.5 O=P(O)(O)CCO D97366 [0,0,0,0,0,0|3,1,0]=4 14 B5R0.1 CCC[C@H](C)N P14575 [1,0,0,0,0,0|3,0,0]=4 15 B5R0.1 CCC[C@H](C)N Y10887 [1,0,0,0,0,0|3,0,0]=4 16 B5R0.1 CN(C)CC=O D88083 [1,0,0,0,0,0|0,0,3]=4 17 B5R0.1 CN(C)CCO D93012 [1,0,0,0,0,0|0,0,1]=2 18 B5R0.1 C[C@H](O)CCN 83616 [1,0,0,0,0,0|3,0,0]=4 19 B5R0.1 C[S+](C)CCCl 77752 [1,0,0,0,0,0|2,0,0]=3 20 B5R0.1 OCCC(F)F P18054 [1,0,0,0,0,0|3,0,0]=4 21 B5R0.4 CC(C)(Br)CN 55595 [1,0,0,0,0,0|3,0,0]=4 22 B5R0.4 CC(C)(C)NO 77598 [1,0,0,0,0,0|2,0,0]=3 23 B5R0.4 CC(C)(Cl)CCl H11156 [1,0,0,0,0,0|3,0,0]=4 24 B5R0.4 CC(C)(F)CBr 29918 [1,0,0,0,0,0|3,0,0]=4 25 B5R0.4 CC(C)(F)CO P17817 [1,0,0,0,0,0|2,0,0]=3 26 B5R0.4 CC(C)(O)CBr A11164 [1,0,0,0,0,0|3,0,0]=4 27 B5R0.4 C[Si](C)(C)ON 77601 [1,0,0,0,0,0|3,0,0]=4 28 B7R0.8 CC(C)(C)C#CCN 31671 [0,1,0,0,0,0|2,0,1]=4 29 B7R0.8 CC(C)(O)CCCN 31824 [0,1,0,0,0,0|3,0,0]=4 30 B7R0.8 CC(C)(O)CCCO AB7595 [0,1,0,0,0,0|2,0,0]=3 31 B7R0.8 C[Si](C)(C)CCON C14911 [0,1,0,0,0,0|1,0,0]=2 32 B7R0.8 C[Si](C)(C)\C=C\CO A12674 [0,1,0,0,0,0|1,0,1]=3 33 B7R0.9 CC(C)(C)CB(O)O C10943 [0,1,0,0,0,0|2,0,0]=3 34 B7R0.9 CC(C)OC(C)(C)C A10887 [0,1,0,0,0,0|3,0,0]=4 35 B7R0.9 C[N+](C)(C)CC(=O)O D85123 [0,1,0,0,0,0|0,0,1]=2 36 B7R0.11 CC(C)(CO)CCO W16131 [0,1,0,0,0,0|1,0,0]=2 37 B7R0.11 CCC(C)(C)CCCl F50555 [0,1,0,0,0,0|2,0,0]=3 38 B7R0.11 CCCC(C)(C)C#N T70545 [0,1,0,0,0,0|2,0,1]=4 39 B7R0.11 CCO[Si](C)(C)CCl I11069 [0,1,0,0,0,0|3,0,0]=4 40 B7R0.11 COCC(C)(C)CO BL000418 [0,1,0,0,0,0|3,0,0]=4 41 B7R0.11 C[N+](C)(CF)CCO W18955 [0,1,0,0,0,0|0,0,0]=1 42 B7R0.11 C[N+](C)(CI)CCO F11952 [0,1,0,0,0,0|0,0,0]=1 43 B7R0.14 CC(C)(C)C(=N)NO W12576 [0,1,0,0,0,0|2,0,1]=4 44 B7R0.14 CC(C)(C)C(=O)CN F11054 [0,1,0,0,0,0|2,0,1]=4 45 B7R0.14 CC(C)(C)C(=O)CO F50563 [0,1,0,0,0,0|1,0,1]=3 46 B7R0.14 CC(C)(C)[C@@H](N)CO 39285 [0,1,0,0,0,0|1,0,0]=2 47 B7R0.14 CC(C)(C)[C@H](N)C#N D79356 [0,1,0,0,0,0|2,0,1]=4 48 B7R0.14 CC(C)(O)[C@@H](F)CN 89812 [0,1,0,0,0,0|3,0,0]=4 49 B7R0.14 CC(C)(O)[C@@H](F)CN P18828 [0,1,0,0,0,0|3,0,0]=4 50 B7R1.14 CC1(Br)CCCC1 P19649 [0,0,0,1,0,0|3,0,0]=4 51 B7R1.14 CC1(C)CCCN1 71736 [0,0,0,1,0,0|3,0,0]=4 52 B7R1.14 CC1(C)CCCN1 71895 [0,0,0,1,0,0|3,0,0]=4 53 B7R1.14 CC1(C)CCNC1 28371 [0,0,0,1,0,0|2,0,0]=3 54 B7R1.14 CC1(C)COCN1 FD10630 [0,0,0,1,0,0|2,0,0]=3 55 B7R1.14 CC1(N)CCCC1 90423 [0,0,0,1,0,0|3,0,0]=4 56 B7R1.14 C[C@]1(F)CCNC1 P15373 [0,0,0,1,0,0|3,0,0]=4 57 B7R1.14 C[C@]1(N)CCOC1 38927 [0,0,0,1,0,0|2,0,0]=3 58 B7R1.14 C[C@]1(O)CCNC1 D96498 [0,0,0,1,0,0|3,0,0]=4 59 B7R1.14 C[C@]1(O)CCOC1 69114 [0,0,0,1,0,0|2,0,0]=3 60 B7R1.16 CC1(C)CC(=O)C1 P13045 [0,0,0,1,0,0|1,0,2]=4 61 B7R1.16 CC1(C)CC(N)C1 P15356 [0,0,0,1,0,0|2,0,0]=3 62 B7R1.16 CC1(C)CC(O)C1 P16551 [0,0,0,1,0,0|1,0,0]=2 63 B7R1.16 CC1(N)CC(F)C1 P18908 [0,0,0,1,0,0|3,0,0]=4 64 B7R1.16 CC1(N)CC(O)C1 38885 [0,0,0,1,0,0|2,0,0]=3 65 B7R1.16 C[C@]1(N)C[C@@H](O)C1 P13531 [0,0,0,1,0,0|2,0,0]=3 66 B7R1.16 C[C@]1(N)C[C@H](O)C1 38886 [0,0,0,1,0,0|2,0,0]=3 67 B7R1.16 C[C@]1(O)C[C@@H](N)C1 38620 [0,0,0,1,0,0|3,0,0]=4 68 B7R1.21 CC1(CCO)CC1 P14058 [0,0,0,1,0,0|1,0,0]=2 69 B7R1.21 CC1(CCO)N=N1 F18261 [0,0,0,1,0,0|3,0,0]=4 70 B7R1.26 CC(C)(N)C1CC1 72848 [0,0,0,1,0,0|3,0,0]=4 71 B7R1.26 CC(C)(O)C1CC1 78550 [0,0,0,1,0,0|3,0,0]=4 72 B4R0.1 CC(C)CBr P19652 [2,0,0,0,0,0|2,0,0]=4 73 B4R0.1 CC[C@H](C)N 74047 [2,0,0,0,0,0|2,0,0]=4 74 B4R0.1 C[C@H](Br)CO W17591 [2,0,0,0,0,0|2,0,0]=4 75 B4R0.2 CCCCN T70838 [2,0,0,0,0,0|2,0,0]=4 76 B4R0.2 COCCI A50601 [2,0,0,0,0,0|2,0,0]=4 77 B4R0.2 CSCCN D73275 [2,0,0,0,0,0|2,0,0]=4 78 B4R0.2 OCCCO D77845 [2,0,0,0,0,0|2,0,0]=4 79 B4R0.2 OCCCS D78398 [2,0,0,0,0,0|2,0,0]=4 80 B4R0.3 CP(C)(C)=O F20530 [2,0,0,0,0,0|0,1,1]=4 81 B4R0.3 C[N+](C)(C)C A11554 [2,0,0,0,0,0|0,0,0]=2 82 B4R0.3 C[N+](C)(C)[O-] A11929 [2,0,0,0,0,0|0,0,1]=3 83 B4R0.3 C[Si](C)(C)O 29085 [2,0,0,0,0,0|1,0,0]=3 84 B6R0.1 CC[C@H](S)CCO D84734 [1,1,0,0,0,0|2,0,0]=4 85 B6R0.1 CNC(=O)CCO AC6610 [1,1,0,0,0,0|2,0,0]=4 86 B6R0.1 N[C@H](CO)CCO AB10026 [1,1,0,0,0,0|2,0,0]=4 87 B6R0.1 N[C@H](CO)CCO AB10027 [1,1,0,0,0,0|2,0,0]=4 88 B6R0.2 C[C@H](N)CN(C)C 76720 [1,1,0,0,0,0|1,0,1]=4 89 B6R0.2 C[C@H](O)CN(C)C A11394 [1,1,0,0,0,0|0,0,1]=3 90 B6R0.3 CC(C)[C@@H](C)CO D93394 [1,1,0,0,0,0|1,0,0]=3 91 B6R0.4 CC(C)CCC=O 31143 [1,1,0,0,0,0|1,0,1]=4 92 B6R0.4 CC(C)OCCBr 33996 [1,1,0,0,0,0|2,0,0]=4 93 B6R0.4 CC(C)OCCN T71353 [1,1,0,0,0,0|2,0,0]=4 94 B6R0.7 CC(C)C(C)(C)Cl H10395 [1,1,0,0,0,0|2,0,0]=4 95 B6R0.7 C[C@H](N)C(C)(C)C F16897 [1,1,0,0,0,0|1,0,0]=3 96 B6R0.7 C[C@H](N)C(C)(C)C N11972 [1,1,0,0,0,0|1,0,0]=3 97 B6R0.7 C[C@H](N)C(C)(C)O 86272 [1,1,0,0,0,0|2,0,0]=4 98 B6R0.7 C[C@H](O)C(C)(C)C D93306 [1,1,0,0,0,0|1,0,0]=3 99 B6R0.7 C[C@H](O)C(C)(C)O D80869 [1,1,0,0,0,0|2,0,0]=4 100 B6R0.8 C#CC(C)(C)CO 20986 [1,1,0,0,0,0|1,0,1]=4 101 B6R0.8 CC(O)(CO)CO AC1642 [1,1,0,0,0,0|2,0,0]=4 102 B6R0.8 COC(C)(C)CBr 71702 [1,1,0,0,0,0|2,0,0]=4 103 B8R0.24 CC[C@H](C)OC(C)(C)C A10768 [0,2,0,0,0,0|2,0,0]=4 104 B8R0.25 CCCCC(C)(C)CO A12319 [0,2,0,0,0,0|2,0,0]=4 105 B8R0.29 CC(C)(S)CCC(=O)O P19032 [0,2,0,0,0,0|2,0,0]=4 106 B8R0.29 CC(C)COC(C)(C)C A10962 [0,2,0,0,0,0|2,0,0]=4 107 B8R0.27 CC(C)(C)[C@H](N)C(=O)O C14699 [0,2,0,0,0,0|1,0,1]=4 108 B8R0.27 CC(C)(C)[C@H](O)C(=O)O 62402 [0,2,0,0,0,0|1,0,1]=4 109 B8R0.33 CC(C)(O)CC(C)(C)O T70643 [0,2,0,0,0,0|2,0,0]=4 110 B8R0.34 CC(C)(CN)CC(=O)O C11406 [0,2,0,0,0,0|1,0,1]=4 111 B8R0.31 COP(=O)(CCO)OC C15969 [0,2,0,0,0,0|1,1,0]=4 112 B8R0.26 CC[C@H](NN)C(C)(C)C 73743 [0,2,0,0,0,0|2,0,0]=4 113 B6R1.2 C[C@H]1CCNC1 69327 [1,0,0,1,0,0|2,0,0]=4 114 B6R1.2 C[C@H]1CCSC1 70016 [1,0,0,1,0,0|1,1,0]=4 115 B6R1.2 Cl[C@H]1CCOC1 N12419 [1,0,0,1,0,0|2,0,0]=4 116 B6R1.2 I[C@H]1CCOC1 37310 [1,0,0,1,0,0|2,0,0]=4 117 B6R1.2 I[C@H]1CCOC1 37311 [1,0,0,1,0,0|2,0,0]=4 118 B6R1.3 BrCCC1CC1 32177 [1,0,0,1,0,0|2,0,0]=4 119 B6R1.3 ICCC1CC1 73383 [1,0,0,1,0,0|2,0,0]=4 120 B6R1.5 CC1CC(N)C1 72358 [1,0,0,1,0,0|2,0,0]=4 121 B6R1.5 CN1CC(Cl)C1 P18477 [1,0,0,1,0,0|1,0,1]=4 122 B6R1.5 CN1CC(N)C1 37022 [1,0,0,1,0,0|1,0,1]=4 123 B6R1.5 CN1CC(O)C1 37023 [1,0,0,1,0,0|0,0,1]=3 124 B6R1.5 C[C@H]1C[C@@H](N)C1 P18428 [1,0,0,1,0,0|2,0,0]=4 125 B6R1.5 C[C@H]1C[C@H](N)C1 D79129 [1,0,0,1,0,0|2,0,0]=4 126 B6R1.5 NN1CC(O)C1 P15912 [1,0,0,1,0,0|1,0,1]=4 127 B6R1.5 N[C@H]1C[C@H](O)C1 31135 [1,0,0,1,0,0|2,0,0]=4 128 B6R1.5 O=C1CC(O)C1 P12929 [1,0,0,1,0,0|2,0,0]=4 129 B6R1.5 OC1CC(F)C1 80872 [1,0,0,1,0,0|2,0,0]=4 130 B6R1.5 OC1CC(O)C1 P18335 [1,0,0,1,0,0|2,0,0]=4 131 B6R1.5 O[C@H]1C[C@@H](O)C1 P20298 [1,0,0,1,0,0|2,0,0]=4 132 B6R1.5 O[C@H]1C[C@H](F)C1 38850 [1,0,0,1,0,0|2,0,0]=4 133 B6R1.8 C[C@H]1C[C@@H]1CO 72702 [1,0,0,1,0,0|1,0,0]=3 134 B6R1.8 OC[C@H]1C[C@@H]1F CS3459 [1,0,0,1,0,0|2,0,0]=4 135 B6R1.9 CC1(C)C[C@@H]1N 69330 [1,0,0,1,0,0|2,0,0]=4 136 B6R1.7 CC1(CN)CC1 W10016 [1,0,0,1,0,0|2,0,0]=4 137 B6R1.7 C[C@]1(CO)CO1 95575 [1,0,0,1,0,0|2,0,0]=4 138 B6R1.7 NC1(CO)CC1 32781 [1,0,0,1,0,0|2,0,0]=4 139 B6R1.7 OCC1(F)CC1 72692 [1,0,0,1,0,0|2,0,0]=4 140 B6R1.7 OCC1(O)CC1 72268 [1,0,0,1,0,0|2,0,0]=4 141 B8R1.27 CNC[C@H]1CC1(C)C F20110 [0,1,0,1,0,0|2,0,0]=4 142 B8R1.51 CC1(C)CCC(=O)C1 55299 [0,1,0,1,0,0|1,0,1]=4 143 B8R1.51 CC1(C)CC[C@H](N)C1 P16857 [0,1,0,1,0,0|2,0,0]=4 144 B8R1.51 CC1(C)COC(=O)C1 82056 [0,1,0,1,0,0|1,0,1]=4 145 B8R1.53 CC1(C)CC(C=O)C1 93337 [0,1,0,1,0,0|1,0,1]=4 146 B8R1.53 CC1(C)CC(CBr)C1 P12135 [0,1,0,1,0,0|2,0,0]=4 147 B8R1.53 CC1(C)CC(CO)C1 P12134 [0,1,0,1,0,0|1,0,0]=3 148 B8R1.72 CC1(Br)CCOCC1 AC1905 [0,1,0,1,0,0|2,0,0]=4 149 B8R1.72 CC1(C)CNCCO1 20348 [0,1,0,1,0,0|2,0,0]=4 150 B8R1.72 CC1(N)CCOCC1 P16590 [0,1,0,1,0,0|2,0,0]=4 151 B8R1.72 CC1(O)CCOCC1 69121 [0,1,0,1,0,0|2,0,0]=4 152 B8R1.72 C[N+]1(C)CCOCC1 AB10337 [0,1,0,1,0,0|0,0,0]=2 153 B8R1.72 C[Si]1(C)CCNCC1 P12584 [0,1,0,1,0,0|2,0,0]=4 154 B8R1.19 CC1(C)CCC[C@@H]1O D79630 [0,1,0,1,0,0|2,0,0]=4 155 B8R1.19 CC1(C)CCC[C@@H]1O D79631 [0,1,0,1,0,0|2,0,0]=4 156 B8R1.19 C[C@@H]1COC[C@]1(C)O 73229 [0,1,0,1,0,0|2,0,0]=4 157 B8R1.52 CC1(CN)CCCC1 72592 [0,1,0,1,0,0|2,0,0]=4 158 B8R1.52 CC1(CO)CCCC1 90940 [0,1,0,1,0,0|2,0,0]=4 159 B8R1.52 C[C@]1(CN)CCNC1 38021 [0,1,0,1,0,0|2,0,0]=4 160 B8R1.52 C[C@]1(CN)CCOC1 38929 [0,1,0,1,0,0|1,0,0]=3 161 B8R1.52 C[C@]1(CO)CCNC1 73010 [0,1,0,1,0,0|2,0,0]=4 162 B8R1.52 C[C@]1(CO)CCOC1 P13013 [0,1,0,1,0,0|1,0,0]=3 163 B8R1.52 N[C@@]1(CO)CCOC1 P12315 [0,1,0,1,0,0|2,0,0]=4 164 B8R1.66 NC1(CCO)CCC1 F51938 [0,1,0,1,0,0|2,0,0]=4 165 B8R1.66 NC1(CCO)COC1 39014 [0,1,0,1,0,0|2,0,0]=4 166 B8R1.66 NC1(CCO)COC1 P19108 [0,1,0,1,0,0|2,0,0]=4 167 B8R1.66 OCCC1(O)CCC1 F30304 [0,1,0,1,0,0|2,0,0]=4 168 B8R1.66 OCCC1(O)COC1 P18341 [0,1,0,1,0,0|2,0,0]=4 169 B8R1.82 COC1(CCN)CC1 P18937 [0,1,0,1,0,0|2,0,0]=4 170 B8R1.82 N#CC1(CCO)CC1 F30354 [0,1,0,1,0,0|1,0,1]=4 171 B8R2.55 C1CC2(CC2)CN1 80452 [0,0,0,2,0,0|2,0,0]=4 172 B8R2.55 C1CC2(CC2)CN1 P11718 [0,0,0,2,0,0|2,0,0]=4