0 B5R0.4 CC(C)(C)Cl=O D90846 [0,0,0,0,0,0|3,0,0]=3 1 B5R0.4 CC(C)(N)CF AT13343 [0,0,0,0,0,0|2,0,1]=3 2 B5R0.4 CC(C)(N)CN F16110 [0,0,0,0,0,0|2,0,1]=3 3 B5R0.4 [2H]C(C)(C)CO D98435 [0,0,0,0,0,0|2,0,1]=3 4 B5R0.4 [2H]C([2H])(C)C=O D98006 [0,0,0,0,0,0|3,0,0]=3 5 B5R0.4 [2H]C([2H])(C)CBr D99539 [0,0,0,0,0,0|3,0,1]=4 6 B5R0.4 [2H]C([2H])(C)CI D98693 [0,0,0,0,0,0|3,0,1]=4 7 B5R0.4 [2H]C([2H])(C)CO D98924 [0,0,0,0,0,0|3,0,1]=4 8 B5R0.4 [2H]C([2H])(C)NC D99751 [0,0,0,0,0,0|3,0,1]=4 9 B5R0.4 [2H]C([2H])(O)CC D99543 [0,0,0,0,0,0|2,0,2]=4 10 B5R0.4 [2H]C([2H])([2H])C=O D98475 [0,0,0,0,0,0|4,0,0]=4 11 B5R0.4 [2H]OC(C)(C)C D99425 [0,0,0,0,0,0|3,0,0]=3 12 B4R0.1 C=C=C(C)C T72680 [1,0,0,0,0,0|0,0,2]=3 13 B4R0.1 C=C[N+](=O)[O-] AT20025 [1,0,0,0,0,0|2,0,1]=4 14 B4R0.1 CC(C)CN T72053 [1,0,0,0,0,0|1,0,1]=3 15 B4R0.1 CC[C@H](C)N 90231 [1,0,0,0,0,0|1,0,2]=4 16 B4R0.1 CC[C@H](C)N N12286 [1,0,0,0,0,0|1,0,2]=4 17 B4R0.1 CC[C@H](C)N N12342 [1,0,0,0,0,0|1,0,2]=4 18 B4R0.1 C[C@H](O)C#N 12324 [1,0,0,0,0,0|1,0,1]=3 19 B4R0.1 C[C@H](S)CO AC8877 [1,0,0,0,0,0|1,1,1]=4 20 B4R0.1 C[C@H](S)CS T72965 [1,0,0,0,0,0|1,1,1]=4 21 B4R0.1 [2H]OC(C)C D98571 [1,0,0,0,0,0|2,0,0]=3 22 B4R0.3 CP(C)(=O)Cl AT21855 [1,0,0,0,0,0|2,0,1]=4 23 B4R0.3 CP(C)(=S)Cl T71511 [1,0,0,0,0,0|2,1,0]=4 24 B4R0.3 C[Ge](C)(C)Cl T71831 [1,0,0,0,0,0|1,1,1]=4 25 B4R0.3 C[N+](C)(C)C F15162 [1,0,0,0,0,0|2,0,1]=4 26 B4R0.3 C[P+](C)(C)C A12534 [1,0,0,0,0,0|2,0,1]=4 27 B4R0.3 C[Si](O)(O)O F20752 [1,0,0,0,0,0|2,1,0]=4 28 B4R0.3 [2H]C(C)(C)Br D99067 [1,0,0,0,0,0|2,0,0]=3 29 B4R0.3 [2H]C(C)(C)Cl D98394 [1,0,0,0,0,0|2,0,0]=3 30 B4R0.3 [2H]C(C)(C)I D98839 [1,0,0,0,0,0|2,0,0]=3 31 B4R0.3 [2H]C([2H])(C)Br D99303 [1,0,0,0,0,0|3,0,0]=4 32 B4R0.3 [2H]C([2H])(C)Cl D98462 [1,0,0,0,0,0|3,0,0]=4 33 B4R0.3 [2H]C([2H])(C)I D99166 [1,0,0,0,0,0|3,0,0]=4 34 B4R0.3 [2H]C([2H])(C)O D97863 [1,0,0,0,0,0|2,0,0]=3 35 B6R0.5 C=CCC(C)(C)N 68260 [0,1,0,0,0,0|1,0,0]=2 36 B6R0.5 CC(C)(C)C#CI AT14291 [0,1,0,0,0,0|1,0,2]=4 37 B6R0.5 CC(C)(C)CON AT14507 [0,1,0,0,0,0|2,0,1]=4 38 B6R0.5 CC(C)(I)CCO AC4846 [0,1,0,0,0,0|1,0,2]=4 39 B6R0.5 CCCC(C)(C)C D87693 [0,1,0,0,0,0|1,0,2]=4 40 B6R0.5 CNCC(C)(C)F F53133 [0,1,0,0,0,0|1,0,2]=4 41 B6R0.5 C[Si](C)(C)\C=C\Br 12164 [0,1,0,0,0,0|1,1,0]=3 42 B6R0.5 [2H]C([2H])([2H])OC=C D99433 [0,1,0,0,0,0|3,0,0]=4 43 B6R0.7 CC(=O)C(C)(F)F AT12473 [0,1,0,0,0,0|2,0,1]=4 44 B6R0.7 CC(C)(N)C(F)F AT13361 [0,1,0,0,0,0|2,0,1]=4 45 B6R0.7 C[C@H](N)C(C)(C)C F17437 [0,1,0,0,0,0|1,0,2]=4 46 B6R0.7 C[C@H](N)C(C)(C)O 86324 [0,1,0,0,0,0|0,0,2]=3 47 B6R0.7 C[C@H](N)C(C)(C)O 86840 [0,1,0,0,0,0|0,0,2]=3 48 B6R0.7 C[C@H](N)C(C)(C)O AC8680 [0,1,0,0,0,0|0,0,2]=3 49 B6R0.7 C[C@H](O)C(C)(C)N AC8763 [0,1,0,0,0,0|1,0,2]=4 50 B6R0.7 [2H]C(C)(C)C(=O)O D98193 [0,1,0,0,0,0|2,0,0]=3 51 B6R0.7 [2H]C([2H])(C)C(=O)O D99197 [0,1,0,0,0,0|3,0,0]=4 52 B6R0.7 [2H]C([2H])(O)C(=O)O D98859 [0,1,0,0,0,0|3,0,0]=4 53 B6R0.7 [2H][C@@](C)(N)C(=O)O D98250 [0,1,0,0,0,0|3,0,0]=4 54 B6R0.8 C=CC(C)(C)CO C77629 [0,1,0,0,0,0|0,0,0]=1 55 B6R0.8 C=CS(=O)(=O)NC AT20641 [0,1,0,0,0,0|2,0,1]=4 56 B6R0.8 C=C[C@@](C)(O)CN FD13138 [0,1,0,0,0,0|0,0,0]=1 57 B6R0.8 CC(C)(CO)ON AT14544 [0,1,0,0,0,0|1,0,1]=3 58 B6R0.8 CCC(C)(Br)CC F20158 [0,1,0,0,0,0|1,0,2]=4 59 B6R0.8 CC[C@](C)(N)C#N 20939 [0,1,0,0,0,0|2,0,1]=4 60 B6R0.8 CC[C@](C)(N)CO D75057 [0,1,0,0,0,0|1,0,2]=4 61 B6R0.8 CC[C@](C)(O)CO D78587 [0,1,0,0,0,0|0,0,2]=3 62 B6R0.8 CNC(C)(C)C#N F13452 [0,1,0,0,0,0|2,0,1]=4 63 B6R0.8 COC(C)(C)C#N AT24380 [0,1,0,0,0,0|1,0,1]=3 64 B6R0.8 COC(C)(C)CN D87550 [0,1,0,0,0,0|1,0,1]=3 65 B6R0.8 COC(C)(C)CN W19681 [0,1,0,0,0,0|1,0,1]=3 66 B6R0.8 CSC(C)(C)CCl AT13953 [0,1,0,0,0,0|1,1,1]=4 67 B6R0.8 CSC(C)(C)CN AT13938 [0,1,0,0,0,0|1,1,1]=4 68 B6R0.8 CSC(C)(C)CO AT13941 [0,1,0,0,0,0|1,0,1]=3 69 B6R0.8 C[C@](O)(CN)CO AT10630 [0,1,0,0,0,0|1,0,1]=3 70 B6R0.8 [2H]C([2H])(C=O)CC D98579 [0,1,0,0,0,0|3,0,0]=4 71 B6R1.7 C#CC1(N)CC1 F51939 [0,0,0,1,0,0|1,0,2]=4 72 B6R1.7 CC1(C#N)CC1 94087 [0,0,0,1,0,0|2,0,1]=4 73 B6R1.7 C[C@]1(CBr)CO1 AC6229 [0,0,0,1,0,0|1,0,1]=3 74 B6R1.7 NCC1(N)CC1 91266 [0,0,0,1,0,0|2,0,1]=4 75 B6R1.9 CC1(C)C[C@@H]1N AT11452 [0,0,0,1,0,0|2,0,1]=4 76 B6R1.10 CC1(F)CNC1 D79173 [0,0,0,1,0,0|2,0,1]=4 77 B3R0.1 CCCN T71779 [2,0,0,0,0,0|1,0,1]=4 78 B3R0.1 [2H]OCC D99756 [2,0,0,0,0,0|2,0,0]=4 79 B3R0.2 CC(=O)O 41449 [2,0,0,0,0,0|1,0,1]=4 80 B3R0.2 CC(C)N T72805 [2,0,0,0,0,0|1,0,0]=3 81 B3R0.2 [2H]N(C)C D98629 [2,0,0,0,0,0|2,0,0]=4 82 B3R0.2 [2H][C@@H](C)I D98644 [2,0,0,0,0,0|2,0,0]=4 83 B5R0.1 C=CCC(=C)C T72918 [1,1,0,0,0,0|0,0,2]=4 84 B5R0.1 C=CC[C@H](C)N AT12969 [1,1,0,0,0,0|1,0,0]=3 85 B5R0.1 CC(C)CNN AR2531 [1,1,0,0,0,0|1,0,1]=4 86 B5R0.1 CC(C)\C=N\O D77551 [1,1,0,0,0,0|1,0,0]=3 87 B5R0.1 CONC(C)C AT24926 [1,1,0,0,0,0|1,0,1]=4 88 B5R0.1 C[C@H](O)CCN D77181 [1,1,0,0,0,0|0,0,2]=4 89 B5R0.1 C[C@H](O)CCN D77194 [1,1,0,0,0,0|0,0,2]=4 90 B5R0.1 C[C@H](O)CNN W10671 [1,1,0,0,0,0|1,0,1]=4 91 B5R0.1 C[C@H](O)CON AT14481 [1,1,0,0,0,0|1,0,1]=4 92 B5R0.1 C\C=C/B(O)O D78549 [1,1,0,0,0,0|2,0,0]=4 93 B5R0.1 C\C=C/C(C)C T72834 [1,1,0,0,0,0|0,0,0]=2 94 B5R0.3 C#C[C@@H](C)CC W11641 [1,1,0,0,0,0|0,0,2]=4 95 B5R0.3 CC(CI)CI AC4732 [1,1,0,0,0,0|1,0,1]=4 96 B5R0.3 CC[C@H](C)CBr D86395 [1,1,0,0,0,0|0,0,2]=4 97 B5R0.3 CC[C@H](C)CN 88661 [1,1,0,0,0,0|0,0,2]=4 98 B5R0.3 CC[C@H](C)CO 88660 [1,1,0,0,0,0|0,0,2]=4 99 B5R0.3 CC[C@H](C)NN AB8698 [1,1,0,0,0,0|2,0,0]=4 100 B5R0.3 CC[C@H](C)ON AT14504 [1,1,0,0,0,0|0,0,2]=4 101 B5R0.3 CN[C@@H](C)C#N AT19980 [1,1,0,0,0,0|1,0,1]=4 102 B5R0.3 CO[C@@H](C)CN 91000 [1,1,0,0,0,0|1,0,1]=4 103 B5R0.3 C[C@@H](CO)CBr C16753 [1,1,0,0,0,0|1,0,1]=4 104 B5R0.3 C\C(=C/I)CO E70219 [1,1,0,0,0,0|1,0,1]=4 105 B5R0.3 O=C[C@@H](O)CO C15860 [1,1,0,0,0,0|1,0,0]=3 106 B5R0.3 O=C[C@@H](O)CO S10019 [1,1,0,0,0,0|1,0,0]=3 107 B5R0.5 CC(=O)[C@H](C)N 91522 [1,1,0,0,0,0|1,0,1]=4 108 B5R0.5 CC(C)C(=O)O A11457 [1,1,0,0,0,0|1,0,0]=3 109 B5R0.5 CC(C)C(I)I AC2721 [1,1,0,0,0,0|1,0,1]=4 110 B5R0.5 CC(C)S(=O)[O-] AT25017 [1,1,0,0,0,0|2,0,0]=4 111 B5R0.5 CC(C)[13C](=O)[O-] D99296 [1,1,0,0,0,0|1,0,0]=3 112 B5R0.5 CC(C)[C@H](C)Br AT23713 [1,1,0,0,0,0|0,0,2]=4 113 B5R0.5 CC(C)[C@H](C)N A12293 [1,1,0,0,0,0|0,0,2]=4 114 B5R0.5 CC(C)[S@](=O)[O-] C11403 [1,1,0,0,0,0|2,0,0]=4 115 B5R0.5 C[C@H](Cl)C(=O)Cl AT22451 [1,1,0,0,0,0|2,0,0]=4 116 B5R0.5 C[C@H](F)C(=O)O 36890 [1,1,0,0,0,0|2,0,0]=4 117 B5R0.5 C[C@H](N)C(N)=O FD21067 [1,1,0,0,0,0|2,0,0]=4 118 B5R0.5 C[C@H](O)C(=N)N F21307 [1,1,0,0,0,0|1,0,0]=3 119 B5R0.5 C[C@H](O)[C@@H](C)N N16999 [1,1,0,0,0,0|0,0,2]=4 120 B5R0.5 C[C@H]([15NH2])C(=O)O 41416 [1,1,0,0,0,0|2,0,0]=4 121 B5R0.5 [2H]C(=O)N(C)C D99052 [1,1,0,0,0,0|2,0,0]=4 122 B7R0.8 CC\C=C/C(C)(C)C T71234 [0,2,0,0,0,0|1,0,0]=3 123 B7R0.9 C=C(Br)C[Si](C)(C)C T71355 [0,2,0,0,0,0|1,1,0]=4 124 B7R0.9 C=C(C)CC(C)(C)C F21333 [0,2,0,0,0,0|1,0,0]=3 125 B7R0.9 CC(=O)CC(C)(C)N F18062 [0,2,0,0,0,0|1,0,1]=4 126 B7R0.11 C=CC(C)(C)CCC T70796 [0,2,0,0,0,0|1,0,0]=3 127 B7R0.11 C=CCC(C)(C)CN 68263 [0,2,0,0,0,0|1,0,0]=3 128 B7R0.11 C=CCC(C)(C)CO 68262 [0,2,0,0,0,0|0,0,0]=2 129 B7R0.11 CC(C)(C#N)CCO AT22036 [0,2,0,0,0,0|1,0,1]=4 130 B7R0.11 CC(C)(CN)CCO AT20760 [0,2,0,0,0,0|1,0,1]=4 131 B7R0.11 CC(C)(CO)CC#N H11137 [0,2,0,0,0,0|0,0,2]=4 132 B7R0.11 CCOC(C)(C)C=O F20263 [0,2,0,0,0,0|1,0,0]=3 133 B7R0.11 CCOC(C)(C)CC D78478 [0,2,0,0,0,0|0,0,2]=4 134 B7R0.11 COCC(C)(C)C=O D84794 [0,2,0,0,0,0|1,0,0]=3 135 B7R0.14 CC(C)(C)C(=O)NO AT14824 [0,2,0,0,0,0|2,0,0]=4 136 B7R0.14 CC(C)(C)[C@H](Br)C=O F31119 [0,2,0,0,0,0|1,0,1]=4 137 B7R0.14 CC(C)(O)[C@@H](F)CN AC4900 [0,2,0,0,0,0|0,0,2]=4 138 B7R0.14 CC(C)(O)[C@@H](N)CF C92624 [0,2,0,0,0,0|0,0,2]=4 139 B7R0.14 CC(C)(O)[C@@H](N)CF C92628 [0,2,0,0,0,0|0,0,2]=4 140 B7R0.14 C\C=C(/C)C(C)(C)C D92448 [0,2,0,0,0,0|1,0,0]=3 141 B7R0.13 C=C[C@](C)(O)C(=O)O AT23392 [0,2,0,0,0,0|0,0,1]=3 142 B7R0.13 CC(C)(CBr)C(=O)O AC8762 [0,2,0,0,0,0|1,0,1]=4 143 B7R0.13 CC(C)(CCl)C(N)=O AT25939 [0,2,0,0,0,0|2,0,0]=4 144 B7R0.13 CC(C)(CO)C(F)F AT13778 [0,2,0,0,0,0|1,0,1]=4 145 B7R0.13 CC[C@](C)(N)C(=O)O 75102 [0,2,0,0,0,0|2,0,0]=4 146 B7R0.13 COC(C)(C)C(=N)N AT24383 [0,2,0,0,0,0|1,0,0]=3 147 B7R0.13 COC(C)(C)C(C)=O S10204 [0,2,0,0,0,0|0,0,1]=3 148 B7R0.17 [2H]C([2H])([2H])C(C)(C)O D98112 [0,2,0,0,0,0|1,0,1]=4 149 B5R1.2 C[C@H]1CCN1 71554 [1,0,0,1,0,0|1,0,1]=4 150 B5R1.3 C=CC1CC1 59738 [1,0,0,1,0,0|0,0,0]=2 151 B5R1.3 IC[C@H]1CO1 CS1242 [1,0,0,1,0,0|1,0,1]=4 152 B5R1.3 NNC1CC1 P19257 [1,0,0,1,0,0|2,0,0]=4 153 B5R1.3 SCC1CC1 AT12991 [1,0,0,1,0,0|1,0,1]=4 154 B5R1.4 C[C@H]1C[C@@H]1N 73029 [1,0,0,1,0,0|1,0,1]=4 155 B7R1.14 CC1(C)NCCO1 A51220 [0,1,0,1,0,0|0,0,2]=4 156 B7R1.14 C[C@]1(O)CNOC1 A50949 [0,1,0,1,0,0|1,0,1]=4 157 B7R1.14 C[C@]1(O)CNOC1 AT14854 [0,1,0,1,0,0|1,0,1]=4 158 B7R1.21 CCCC1(O)CC1 AT11368 [0,1,0,1,0,0|0,0,2]=4 159 B7R1.21 OCCC1(O)CC1 33693 [0,1,0,1,0,0|0,0,2]=4 160 B7R1.19 CC(=O)C1(F)CC1 W10354 [0,1,0,1,0,0|1,0,1]=4 161 B7R1.19 O=C(O)C1(Cl)CC1 96431 [0,1,0,1,0,0|2,0,0]=4 162 B7R1.19 [2H]C1(C(=O)O)CC1 D99317 [0,1,0,1,0,0|2,0,0]=4 163 B7R1.25 CC1(C=O)CCC1 90943 [0,1,0,1,0,0|2,0,0]=4 164 B7R1.25 CC1(CO)CSC1 D75149 [0,1,0,1,0,0|1,0,1]=4 165 B7R1.25 CC1(CS)COC1 CS1170 [0,1,0,1,0,0|1,0,1]=4 166 B7R1.25 CNC1(C)COC1 39043 [0,1,0,1,0,0|1,0,1]=4 167 B7R1.25 C[C@]1(CN)CCO1 D97140 [0,1,0,1,0,0|0,0,2]=4 168 B7R1.29 CCC1(CC)CO1 91067 [0,1,0,1,0,0|0,0,2]=4 169 B7R1.29 CCC1(CO)CC1 AT23872 [0,1,0,1,0,0|0,0,2]=4 170 B7R1.29 CC[C@]1(CCl)CO1 T71304 [0,1,0,1,0,0|0,0,2]=4 171 B7R1.29 CNC1(CO)CC1 98659 [0,1,0,1,0,0|1,0,1]=4 172 B7R1.29 COC1(CN)CC1 P17998 [0,1,0,1,0,0|1,0,1]=4 173 B7R1.29 NCC1(CO)CC1 C77891 [0,1,0,1,0,0|1,0,1]=4