0 B7R1.3 BrC1=CCCNC1 D85784 [0,0,0,0,0,0|2,0,2]=4 1 B7R1.3 Br[C@H]1CCCNC1 C14028 [0,0,0,0,0,0|2,0,0]=2 2 B7R1.3 C=C1CCCNC1 W15931 [0,0,0,0,0,0|2,0,1]=3 3 B7R1.3 C=C1CCNCC1 33821 [0,0,0,0,0,0|2,0,1]=3 4 B7R1.3 CC1=CCOCC1 F17726 [0,0,0,0,0,0|2,0,2]=4 5 B7R1.3 C[C@H]1CCCCN1 N14212 [0,0,0,0,0,0|2,0,0]=2 6 B7R1.3 C[C@H]1CCCNC1 F14484 [0,0,0,0,0,0|2,0,0]=2 7 B7R1.3 C[C@H]1CNCCS1 AT10751 [0,0,0,0,0,0|3,0,0]=3 8 B7R1.3 C[C@H]1CNCCS1 AT25278 [0,0,0,0,0,0|3,0,0]=3 9 B7R1.3 C[C@H]1CSCCN1 AT10756 [0,0,0,0,0,0|3,0,0]=3 10 B7R1.3 C[C@H]1CSCCN1 AT10759 [0,0,0,0,0,0|3,0,0]=3 11 B7R1.3 ClC1=CCCCC1 FD10699 [0,0,0,0,0,0|1,0,2]=3 12 B7R1.3 NN1CCNCC1 I10257 [0,0,0,0,0,0|2,0,0]=2 13 B7R1.3 NN1CCNCC1 P19252 [0,0,0,0,0,0|2,0,0]=2 14 B7R1.3 N[C@@H]1C=CCCC1 AB10372 [0,0,0,0,0,0|0,0,2]=2 15 B7R1.3 N[C@@H]1CC=CCC1 AB8978 [0,0,0,0,0,0|0,0,2]=2 16 B7R1.3 N[C@H]1CCCOC1 F31015 [0,0,0,0,0,0|1,0,0]=1 17 B7R1.3 N[C@H]1CCCOC1 P11042 [0,0,0,0,0,0|1,0,0]=1 18 B7R1.3 O=S1CCOCC1 A51207 [0,0,0,0,0,0|3,0,0]=3 19 B7R1.3 S=C1CCCCC1 N16924 [0,0,0,0,0,0|1,0,1]=2 20 B6R1.1 C1CCNCC1 S11730 [1,0,0,0,0,0|1,0,0]=2 21 B6R1.1 C1CCONC1 P10408 [1,0,0,0,0,0|2,0,0]=3 22 B6R1.1 C1CNCOC1 C72764 [1,0,0,0,0,0|2,0,0]=3 23 B8R1.2 BrCC1CCNCC1 30601 [0,1,0,0,0,0|2,0,0]=3 24 B8R1.2 CC[C@H]1CCCCN1 N11156 [0,1,0,0,0,0|2,0,0]=3 25 B8R1.2 CC[C@H]1CNCCO1 D75750 [0,1,0,0,0,0|3,0,0]=4 26 B8R1.2 CC[C@H]1COCCN1 F19074 [0,1,0,0,0,0|3,0,0]=4 27 B8R1.2 CNC1CCCCC1 S12279 [0,1,0,0,0,0|0,0,0]=1 28 B8R1.2 CNC1CCNCC1 63132 [0,1,0,0,0,0|1,0,0]=2 29 B8R1.2 CNC1CCSCC1 AT10410 [0,1,0,0,0,0|1,0,0]=2 30 B8R1.2 CO[C@@H]1C=CCCC1 D91600 [0,1,0,0,0,0|1,0,2]=4 31 B8R1.2 CSC1CCNCC1 32247 [0,1,0,0,0,0|2,0,0]=3 32 B8R1.2 CSC1CCNCC1 P10626 [0,1,0,0,0,0|2,0,0]=3 33 B8R1.2 ClCN1CCOCC1 C11093 [0,1,0,0,0,0|3,0,0]=4 34 B8R1.2 ClC[C@H]1CNCCO1 F13328 [0,1,0,0,0,0|3,0,0]=4 35 B8R1.2 ICC1CCNCC1 AC3914 [0,1,0,0,0,0|2,0,0]=3 36 B8R1.2 N#CN1CCNCC1 F19905 [0,1,0,0,0,0|2,0,1]=4 37 B8R1.2 N#C[C@@H]1CNCCN1 C14364 [0,1,0,0,0,0|2,0,1]=4 38 B8R1.2 N#C[C@@H]1CNCCN1 C15176 [0,1,0,0,0,0|2,0,1]=4 39 B8R1.2 N#C[C@@H]1CNCCO1 F18992 [0,1,0,0,0,0|2,0,1]=4 40 B8R1.2 N#C[C@@H]1CNCCO1 F19038 [0,1,0,0,0,0|2,0,1]=4 41 B8R1.2 N#C[C@H]1CCCOC1 94853 [0,1,0,0,0,0|1,0,1]=3 42 B8R1.2 NC[C@@H]1CC=CCC1 C78101 [0,1,0,0,0,0|0,0,2]=3 43 B8R1.2 NC[C@H]1CCC=CO1 P10036 [0,1,0,0,0,0|1,0,2]=4 44 B8R1.2 NN[C@H]1CCCOC1 C93323 [0,1,0,0,0,0|1,0,0]=2 45 B8R1.2 NOC1CCOCC1 97662 [0,1,0,0,0,0|1,0,0]=2 46 B8R1.2 NO[C@H]1CCCOC1 97661 [0,1,0,0,0,0|1,0,0]=2 47 B8R1.2 O=CC1CCNCC1 62056 [0,1,0,0,0,0|2,0,0]=3 48 B8R1.2 OC[C@H]1CNCCN1 I11797 [0,1,0,0,0,0|3,0,0]=4 49 B8R1.2 OC[C@H]1COCCO1 D82528 [0,1,0,0,0,0|3,0,0]=4 50 B8R1.2 SCC1CCOCC1 P16932 [0,1,0,0,0,0|2,0,0]=3 51 B8R1.3 C=C1CCC(=O)CC1 57377 [0,1,0,0,0,0|1,0,2]=4 52 B8R1.3 CC1CCN(N)CC1 F13743 [0,1,0,0,0,0|1,0,0]=2 53 B8R1.3 CC1CNC(C)CN1 AC2834 [0,1,0,0,0,0|3,0,0]=4 54 B8R1.3 CC1CNC(C)CN1 AT23784 [0,1,0,0,0,0|3,0,0]=4 55 B8R1.3 CC1COC(C)CN1 F12415 [0,1,0,0,0,0|3,0,0]=4 56 B8R1.3 CN1CCC(Br)CC1 AC6332 [0,1,0,0,0,0|2,0,0]=3 57 B8R1.3 CN1CCC(I)CC1 D97152 [0,1,0,0,0,0|2,0,0]=3 58 B8R1.3 CN1CCC(S)CC1 AT13364 [0,1,0,0,0,0|2,0,0]=3 59 B8R1.3 C[C@H]1CC[C@@H](N)CC1 N13044 [0,1,0,0,0,0|0,0,0]=1 60 B8R1.3 C[C@H]1CC[C@H](C)NC1 29624 [0,1,0,0,0,0|2,0,0]=3 61 B8R1.3 C[C@H]1CN[C@H](C)CO1 S11084 [0,1,0,0,0,0|3,0,0]=4 62 B8R1.3 N[C@H]1CCC(=O)NC1 70845 [0,1,0,0,0,0|1,0,1]=3 63 B8R1.3 O=C1CCC(Br)CC1 C77503 [0,1,0,0,0,0|1,0,1]=3 64 B8R1.3 OC1CCC(Br)CC1 P19527 [0,1,0,0,0,0|1,0,0]=2 65 B8R1.4 CC1CCNC(C)C1 D87679 [0,1,0,0,0,0|2,0,0]=3 66 B8R1.4 CC1CNCC(C)S1 AT10825 [0,1,0,0,0,0|3,0,0]=4 67 B8R1.4 CC1CNC[C@H](C)O1 F18928 [0,1,0,0,0,0|3,0,0]=4 68 B8R1.4 CC1COC[C@H](C)N1 F18864 [0,1,0,0,0,0|3,0,0]=4 69 B8R1.4 CC1COC[C@H](C)N1 F18890 [0,1,0,0,0,0|3,0,0]=4 70 B8R1.4 CC1COC[C@H](C)N1 F18927 [0,1,0,0,0,0|3,0,0]=4 71 B8R1.4 CC1COC[C@H](C)N1 F18931 [0,1,0,0,0,0|3,0,0]=4 72 B8R1.4 CC1CSCC(C)N1 AT10826 [0,1,0,0,0,0|3,0,0]=4 73 B8R1.4 CN1CCCC(=O)C1 C14007 [0,1,0,0,0,0|2,0,1]=4 74 B8R1.4 CN1CCC[C@H](N)C1 F13063 [0,1,0,0,0,0|1,0,0]=2 75 B8R1.4 CN1CCC[C@H](O)C1 AC6069 [0,1,0,0,0,0|2,0,0]=3 76 B8R1.4 C[C@@H]1C[C@@H](N)CCO1 D79034 [0,1,0,0,0,0|1,0,0]=2 77 B8R1.4 C[C@H]1CC(=O)CCN1 W10112 [0,1,0,0,0,0|2,0,1]=4 78 B8R1.4 C[C@H]1CCCC(=O)C1 90784 [0,1,0,0,0,0|1,0,1]=3 79 B8R1.4 C[C@H]1CCCC(=O)N1 90463 [0,1,0,0,0,0|2,0,1]=4 80 B8R1.4 C[C@H]1CCC[C@H](C)N1 P21143 [0,1,0,0,0,0|2,0,0]=3 81 B8R1.4 C[C@H]1CN(C)CCN1 C14012 [0,1,0,0,0,0|3,0,0]=4 82 B8R1.4 C[C@H]1CN(C)CCN1 F12388 [0,1,0,0,0,0|3,0,0]=4 83 B8R1.4 C[C@H]1CN(C)CCN1 P11099 [0,1,0,0,0,0|3,0,0]=4 84 B8R1.4 C[C@H]1CN(C)CCN1 S10064 [0,1,0,0,0,0|3,0,0]=4 85 B8R1.4 C[C@H]1CNC[C@@H](C)O1 F18871 [0,1,0,0,0,0|3,0,0]=4 86 B8R1.4 C[C@H]1CNC[C@@H](O)C1 AT13824 [0,1,0,0,0,0|2,0,0]=3 87 B8R1.4 C[C@H]1CNC[C@H](C)N1 38269 [0,1,0,0,0,0|3,0,0]=4 88 B8R1.4 C[C@H]1CNC[C@H](C)N1 P18598 [0,1,0,0,0,0|3,0,0]=4 89 B8R1.4 C[C@H]1CNC[C@H](C)O1 F18885 [0,1,0,0,0,0|3,0,0]=4 90 B8R1.4 C[C@H]1COC[C@@H](C)N1 70215 [0,1,0,0,0,0|3,0,0]=4 91 B8R1.4 C[C@H]1COC[C@@H](C)N1 S12171 [0,1,0,0,0,0|3,0,0]=4 92 B8R1.4 C[C@H]1C[C@@H](O)CCN1 P12569 [0,1,0,0,0,0|2,0,0]=3 93 B8R1.4 NC1COCC(O)C1 W16026 [0,1,0,0,0,0|1,0,0]=2 94 B8R1.4 N[C@@H]1COCC(=O)C1 F51972 [0,1,0,0,0,0|1,0,1]=3 95 B8R1.4 N[C@H]1CCC[C@H](O)C1 F11499 [0,1,0,0,0,0|0,0,0]=1 96 B8R1.4 N[C@H]1CCC[C@H](O)C1 P19975 [0,1,0,0,0,0|0,0,0]=1 97 B8R1.4 O=C1CCC[C@H](O)C1 P16037 [0,1,0,0,0,0|1,0,1]=3 98 B8R1.4 O=C1C[C@@H](F)CCN1 P19310 [0,1,0,0,0,0|2,0,1]=4 99 B8R1.4 O[C@@H]1CNC[C@@H](O)C1 AT24349 [0,1,0,0,0,0|2,0,0]=3 100 B8R1.5 CC1CCNCC1O 38881 [0,1,0,0,0,0|2,0,0]=3 101 B8R1.5 CC1COCCC1N F13602 [0,1,0,0,0,0|1,0,0]=2 102 B8R1.5 CC1NCCCC1O W19147 [0,1,0,0,0,0|2,0,0]=3 103 B8R1.5 CC1NCCSC1C AT25273 [0,1,0,0,0,0|3,0,0]=4 104 B8R1.5 CN1CCCCC1=O C16744 [0,1,0,0,0,0|2,0,1]=4 105 B8R1.5 C[C@@H]1CCNC[C@@H]1O 38884 [0,1,0,0,0,0|2,0,0]=3 106 B8R1.5 C[C@@H]1CNCC[C@@H]1O A11539 [0,1,0,0,0,0|2,0,0]=3 107 B8R1.5 C[C@@H]1NCCN[C@H]1C AT24345 [0,1,0,0,0,0|3,0,0]=4 108 B8R1.5 C[C@H]1CCNCC1=O P13522 [0,1,0,0,0,0|2,0,1]=4 109 B8R1.5 C[C@H]1CCNC[C@@H]1O P12384 [0,1,0,0,0,0|2,0,0]=3 110 B8R1.5 C[C@H]1CCNC[C@@H]1O W19323 [0,1,0,0,0,0|2,0,0]=3 111 B8R1.5 C[C@H]1CCOCC1=O F53480 [0,1,0,0,0,0|2,0,1]=4 112 B8R1.5 NC1CC=CCC1N F16270 [0,1,0,0,0,0|0,0,2]=3 113 B8R1.5 NC1CC=CCC1N F16271 [0,1,0,0,0,0|0,0,2]=3 114 B8R1.5 NC1CCCCC1O F13372 [0,1,0,0,0,0|0,0,0]=1 115 B8R1.5 NC1CCOCC1O AT20154 [0,1,0,0,0,0|1,0,0]=2 116 B8R1.5 N[C@@H]1CCCC[C@@H]1F AT23366 [0,1,0,0,0,0|0,0,0]=1 117 B8R1.5 N[C@@H]1CCCC[C@@H]1O F53834 [0,1,0,0,0,0|0,0,0]=1 118 B8R1.5 N[C@H]1CC=CC[C@@H]1N F16350 [0,1,0,0,0,0|0,0,2]=3 119 B8R1.5 N[C@H]1CC=CC[C@H]1N F14765 [0,1,0,0,0,0|0,0,2]=3 120 B8R1.5 N[C@H]1CC=CC[C@H]1N F16267 [0,1,0,0,0,0|0,0,2]=3 121 B8R1.5 N[C@H]1CCCNC1=O 51548 [0,1,0,0,0,0|1,0,1]=3 122 B8R1.5 N[C@H]1CCNC[C@@H]1O D76889 [0,1,0,0,0,0|1,0,0]=2 123 B8R1.5 N[C@H]1CCOC[C@@H]1O AT20174 [0,1,0,0,0,0|1,0,0]=2 124 B8R1.5 N[C@H]1CCOC[C@@H]1O P19349 [0,1,0,0,0,0|1,0,0]=2 125 B8R1.5 O=C1CCNC[C@@H]1Br F13559 [0,1,0,0,0,0|2,0,1]=4 126 B8R1.5 O=C1CCNC[C@@H]1Br F13560 [0,1,0,0,0,0|2,0,1]=4 127 B8R1.5 O=C1CCNC[C@@H]1F P11685 [0,1,0,0,0,0|2,0,1]=4 128 B8R1.5 O[C@H]1CNCC[C@H]1O 37852 [0,1,0,0,0,0|2,0,0]=3 129 B8R1.72 CC1(C)CCCCN1 AT24213 [0,1,0,0,0,0|2,0,0]=3 130 B8R1.72 CC1(C)CCCNC1 F30179 [0,1,0,0,0,0|2,0,0]=3 131 B8R1.72 CC1(C)COCCN1 S10178 [0,1,0,0,0,0|3,0,0]=4 132 B8R1.72 CC1(N)CCCCC1 W10115 [0,1,0,0,0,0|0,0,0]=1 133 B8R1.72 CC1(N)CCNCC1 D75159 [0,1,0,0,0,0|1,0,0]=2 134 B8R1.72 FC1(F)CCCNC1 W16714 [0,1,0,0,0,0|2,0,0]=3 135 B8R1.72 N=S1(=O)CCCCC1 AT11345 [0,1,0,0,0,0|1,0,1]=3 136 B8R1.72 N=S1(=O)CCNCC1 AT25289 [0,1,0,0,0,0|2,0,1]=4 137 B8R1.72 N=S1(=O)CCOCC1 AT25738 [0,1,0,0,0,0|2,0,1]=4 138 B6R0.1 C=CC[C@H](N)CO N11070 [0,0,1,0,0,0|1,0,2]=4 139 B6R0.1 C=CC[C@H](N)CO N11385 [0,0,1,0,0,0|1,0,2]=4 140 B6R0.1 C=CC[C@H](N)CO N15485 [0,0,1,0,0,0|1,0,2]=4 141 B6R0.1 C=C[C@@H](C)CCC T72328 [0,0,1,0,0,0|1,0,2]=4 142 B6R0.1 CCC[C@H](C)CBr S11885 [0,0,1,0,0,0|2,0,0]=3 143 B6R0.1 CC[C@H](N)CCO AT22371 [0,0,1,0,0,0|1,0,0]=2 144 B6R0.1 CC[C@H](N)COC D87652 [0,0,1,0,0,0|1,0,0]=2 145 B6R0.1 CC[C@H](N)COC D87653 [0,0,1,0,0,0|1,0,0]=2 146 B6R0.1 CC[C@H](O)CC#N A50899 [0,0,1,0,0,0|2,0,1]=4 147 B6R0.1 CNC[C@@H](C)CN T70175 [0,0,1,0,0,0|3,0,0]=4 148 B6R0.1 CNC[C@H](O)CO 56523 [0,0,1,0,0,0|3,0,0]=4 149 B6R0.1 CNC[C@H](O)CO 56531 [0,0,1,0,0,0|3,0,0]=4 150 B6R0.1 COC[C@@H](C)CO O10176 [0,0,1,0,0,0|3,0,0]=4 151 B6R0.1 COC[C@@H](N)CO 91276 [0,0,1,0,0,0|2,0,0]=3 152 B6R0.1 COC[C@@H](N)CO 91277 [0,0,1,0,0,0|2,0,0]=3 153 B6R0.1 COC[C@@H](N)CO C90595 [0,0,1,0,0,0|2,0,0]=3 154 B6R0.1 COC[C@@H](O)CN 94766 [0,0,1,0,0,0|3,0,0]=4 155 B6R0.1 COC[C@@H](O)CN 98632 [0,0,1,0,0,0|3,0,0]=4 156 B6R0.1 COC[C@H](N)C#N AT12993 [0,0,1,0,0,0|2,0,1]=4 157 B6R0.1 CSC[C@@H](N)CO 96818 [0,0,1,0,0,0|2,0,0]=3 158 B6R0.1 CSC[C@@H](N)CO 96819 [0,0,1,0,0,0|2,0,0]=3 159 B6R0.1 C[C@H](CN)CCO AT20757 [0,0,1,0,0,0|3,0,0]=4 160 B6R0.1 C[C@H](CO)CCO 96740 [0,0,1,0,0,0|3,0,0]=4 161 B6R0.1 NC[C@@H](N)CCO AT20759 [0,0,1,0,0,0|2,0,0]=3 162 B6R0.1 N[C@H](CO)CCO AB10001 [0,0,1,0,0,0|2,0,0]=3 163 B6R0.1 O[C@H](CCl)CCCl T70626 [0,0,1,0,0,0|3,0,0]=4 164 B6R0.4 C=C(C)CCCO 71061 [0,0,1,0,0,0|2,0,1]=4 165 B6R0.4 CC(C)CCNN AC3937 [0,0,1,0,0,0|3,0,0]=4 166 B6R0.4 CC(C)OCCS AT13760 [0,0,1,0,0,0|3,0,0]=4 167 B6R0.4 CCNC[C@H](C)O 91070 [0,0,1,0,0,0|2,0,0]=3 168 B6R0.4 CNCCC(N)=O C78256 [0,0,1,0,0,0|2,0,1]=4 169 B6R0.4 C[C@H](N)CCCO AT20758 [0,0,1,0,0,0|1,0,0]=2 170 B6R0.4 C[C@H](O)CCC#N F51113 [0,0,1,0,0,0|2,0,1]=4 171 B6R0.4 C[C@H](O)CCCBr A11305 [0,0,1,0,0,0|2,0,0]=3 172 B6R0.4 C[C@H](O)CCCN AT20756 [0,0,1,0,0,0|2,0,0]=3 173 B6R0.4 NC(=O)CCCO AT20755 [0,0,1,0,0,0|2,0,1]=4 174 B6R0.4 NCCCC(N)=O AC5898 [0,0,1,0,0,0|2,0,1]=4 175 B6R0.4 [2H][C@H](Br)CCCC D99408 [0,0,1,0,0,0|2,0,0]=3 176 B6R0.6 C#CCCCCN D76652 [0,0,1,0,0,0|0,0,2]=3 177 B6R0.6 C#CCSCCN AT19952 [0,0,1,0,0,0|1,0,2]=4 178 B6R0.6 C=CCSCCN AT25545 [0,0,1,0,0,0|1,0,2]=4 179 B6R0.6 CCNCCSC AT25567 [0,0,1,0,0,0|3,0,0]=4 180 B6R0.6 CCOCCNN AC6859 [0,0,1,0,0,0|2,0,0]=3 181 B6R0.6 CCOCCON AT14482 [0,0,1,0,0,0|2,0,0]=3 182 B6R0.6 CNCCCC#N AB10346 [0,0,1,0,0,0|1,0,2]=4 183 B6R0.6 CNCCCOC F15969 [0,0,1,0,0,0|3,0,0]=4 184 B6R0.6 COCCCC#N C77649 [0,0,1,0,0,0|1,0,2]=4 185 B6R0.6 COCCCCN C77605 [0,0,1,0,0,0|1,0,0]=2 186 B6R0.6 COCCCON AT14486 [0,0,1,0,0,0|2,0,0]=3 187 B6R0.6 C\C=C/CCCCl T71143 [0,0,1,0,0,0|1,0,2]=4 188 B6R0.6 ClCCNCCCl AB10357 [0,0,1,0,0,0|3,0,0]=4 189 B6R0.6 N#CCCCCN AC2033 [0,0,1,0,0,0|1,0,1]=3 190 B6R0.6 NCCOCCF AT12496 [0,0,1,0,0,0|2,0,0]=3 191 B6R0.6 NCCSCCO AT25550 [0,0,1,0,0,0|2,0,0]=3 192 B6R0.6 OCCNCCO AB10274 [0,0,1,0,0,0|3,0,0]=4 193 B6R0.6 OCCOCCI C77657 [0,0,1,0,0,0|3,0,0]=4 194 B6R0.6 [2H]OCCCCC D99155 [0,0,1,0,0,0|2,0,0]=3 195 B6R0.6 [N-]=[N+]=NCCCN F19638 [0,0,1,0,0,0|3,0,0]=4 196 B8R2.2 CC12CCCC1O2 AT16552 [0,0,0,1,0,0|2,0,0]=3 197 B8R2.2 C[C@]12CCCC1O2 F50046 [0,0,0,1,0,0|2,0,0]=3 198 B8R2.34 C1CC2CCC1O2 T72216 [0,0,0,1,0,0|1,0,0]=2 199 B8R2.34 C1CN2CCC1C2 F15254 [0,0,0,1,0,0|2,0,0]=3 200 B8R2.34 C1NC2CNC1C2 F18865 [0,0,0,1,0,0|3,0,0]=4 201 B8R2.34 C1N[C@@H]2CN[C@H]1C2 F12544 [0,0,0,1,0,0|3,0,0]=4 202 B8R2.34 C1N[C@@H]2CN[C@H]1C2 F19020 [0,0,0,1,0,0|3,0,0]=4 203 B8R2.34 C1O[C@@H]2CN[C@H]1C2 P12317 [0,0,0,1,0,0|3,0,0]=4 204 B8R2.38 O=C1CC[C@@H]2C[C@H]12 97893 [0,0,0,1,0,0|1,0,1]=3 205 B8R2.38 O=C1NC[C@@H]2C[C@H]12 H11212 [0,0,0,1,0,0|2,0,1]=4 206 B8R2.38 O[C@H]1CC[C@@H]2C[C@H]12 D74723 [0,0,0,1,0,0|1,0,0]=2 207 B6R1.2 C[C@H]1CCNC1 71655 [0,0,0,0,1,0|2,0,0]=3 208 B6R1.2 FC1CCCC1 T71800 [0,0,0,0,1,0|1,0,0]=2 209 B6R1.2 F[C@H]1CCNC1 FD10498 [0,0,0,0,1,0|2,0,0]=3 210 B6R1.2 O[C@H]1CNOC1 AT14847 [0,0,0,0,1,0|3,0,0]=4 211 B8R1.22 CN1COCCOC1 F12615 [0,0,0,0,0,1|3,0,0]=4 212 B8R1.22 C[C@H]1CCCCCN1 AT22104 [0,0,0,0,0,1|1,0,0]=2 213 B8R1.22 C[C@H]1CCNCCN1 AT20047 [0,0,0,0,0,1|2,0,0]=3 214 B8R1.22 C[C@H]1CCNCCN1 AT20048 [0,0,0,0,0,1|2,0,0]=3 215 B8R1.22 C[C@H]1CCNCCN1 AT20119 [0,0,0,0,0,1|2,0,0]=3 216 B8R1.22 C[C@H]1CNCCCN1 70846 [0,0,0,0,0,1|2,0,0]=3 217 B8R1.22 C[C@H]1CNCCCN1 AT20050 [0,0,0,0,0,1|2,0,0]=3 218 B8R1.22 C[C@H]1COCCCN1 AT11435 [0,0,0,0,0,1|2,0,0]=3 219 B8R1.22 FC1CNCCNC1 90916 [0,0,0,0,0,1|2,0,0]=3 220 B8R1.22 F[C@H]1CCCNCC1 72531 [0,0,0,0,0,1|1,0,0]=2 221 B8R1.22 I[C@H]1CCCOCC1 55131 [0,0,0,0,0,1|1,0,0]=2 222 B8R1.22 N[C@H]1CCCCNC1 F13105 [0,0,0,0,0,1|0,0,0]=1 223 B8R1.22 O[C@H]1CCCCNC1 73004 [0,0,0,0,0,1|1,0,0]=2 224 B8R1.22 O[C@H]1CCCOCC1 55130 [0,0,0,0,0,1|1,0,0]=2 225 B8R1.22 O[C@H]1CNCCOC1 F13213 [0,0,0,0,0,1|2,0,0]=3 226 B5R0.1 C#CC[C@H](C)N AT12968 [1,0,1,0,0,0|0,0,2]=4 227 B5R0.1 C=C(C)CCC D91296 [1,0,1,0,0,0|1,0,1]=4 228 B5R0.1 C=CC[C@H](C)N AT12969 [1,0,1,0,0,0|0,0,2]=4 229 B5R0.1 CCC[C@H](C)N N10856 [1,0,1,0,0,0|0,0,0]=2 230 B5R0.1 CCC[C@H](C)N N15476 [1,0,1,0,0,0|0,0,0]=2 231 B5R0.1 CSC[C@H](C)N AT10784 [1,0,1,0,0,0|1,0,0]=3 232 B5R0.1 C[C@H](N)CC#N N14213 [1,0,1,0,0,0|1,0,1]=4 233 B5R0.1 C[C@H](N)CCO 83613 [1,0,1,0,0,0|1,0,0]=3 234 B5R0.1 C[C@H](N)CCO 83649 [1,0,1,0,0,0|1,0,0]=3 235 B5R0.1 C[C@H](O)CCN D77181 [1,0,1,0,0,0|2,0,0]=4 236 B5R0.1 C[C@H](O)CCN D77194 [1,0,1,0,0,0|2,0,0]=4 237 B5R0.2 CCCCNN AC6660 [1,0,1,0,0,0|1,0,0]=3 238 B5R0.2 CCCCNO AT14838 [1,0,1,0,0,0|2,0,0]=4 239 B5R0.2 CCCNOC AT24927 [1,0,1,0,0,0|2,0,0]=4 240 B5R0.2 CNCCSC D87904 [1,0,1,0,0,0|2,0,0]=4 241 B5R0.2 COCCNN AC7088 [1,0,1,0,0,0|2,0,0]=4 242 B5R0.2 C\C=C\CCN AT22492 [1,0,1,0,0,0|0,0,2]=4 243 B5R0.2 N#CCCCN N13271 [1,0,1,0,0,0|1,0,1]=4 244 B5R0.2 NCCCNN W10659 [1,0,1,0,0,0|2,0,0]=4 245 B5R0.2 NCCCNO AT14843 [1,0,1,0,0,0|2,0,0]=4 246 B5R0.2 NNCCCO W10664 [1,0,1,0,0,0|2,0,0]=4 247 B5R0.2 NOCCCO P16653 [1,0,1,0,0,0|2,0,0]=4 248 B5R0.2 [2H]OCCCC D98922 [1,0,1,0,0,0|2,0,0]=4 249 B5R0.3 C=C(CC)CC D90428 [1,0,1,0,0,0|1,0,1]=4 250 B5R0.3 CCP(Cl)CC A12755 [1,0,1,0,0,0|2,0,0]=4 251 B5R0.3 CC[C@H](C)CBr D86395 [1,0,1,0,0,0|2,0,0]=4 252 B5R0.3 CC[C@H](C)CN 88661 [1,0,1,0,0,0|2,0,0]=4 253 B5R0.3 CC[C@H](C)CO 88660 [1,0,1,0,0,0|2,0,0]=4 254 B5R0.3 CC[C@H](N)C#N AT12684 [1,0,1,0,0,0|1,0,1]=4 255 B5R0.3 CC[C@H](N)C#N AT12685 [1,0,1,0,0,0|1,0,1]=4 256 B5R0.3 CC[C@H](N)C#N N14345 [1,0,1,0,0,0|1,0,1]=4 257 B5R0.3 [2H]N(CC)CC D98468 [1,0,1,0,0,0|2,0,0]=4 258 B7R0.2 C=C(C)C[C@@H](C)CC T70395 [0,1,1,0,0,0|1,0,1]=4 259 B7R0.2 CC(C)C[C@H](N)C#N AC6684 [0,1,1,0,0,0|1,0,1]=4 260 B7R0.2 CC(C)C[C@H](N)C#N AC7744 [0,1,1,0,0,0|1,0,1]=4 261 B7R0.3 CC#CC[C@@H](O)CC T72024 [0,1,1,0,0,0|1,0,1]=4 262 B7R0.3 CC#CC[C@H](N)CO D75108 [0,1,1,0,0,0|1,0,1]=4 263 B7R0.3 CCCC[C@H](N)CO D75114 [0,1,1,0,0,0|1,0,0]=3 264 B7R0.3 CCCC[C@H](N)CO H10583 [0,1,1,0,0,0|1,0,0]=3 265 B7R0.3 CC[C@H](O)CCC#N F51112 [0,1,1,0,0,0|1,0,1]=4 266 B7R0.3 C\C=C\C[C@@H](C)CC T72110 [0,1,1,0,0,0|1,0,1]=4 267 B7R0.5 CC(C)[C@@H](N)CCO F53378 [0,1,1,0,0,0|1,0,0]=3 268 B7R0.5 CC(C)[C@@H](N)CCO F53539 [0,1,1,0,0,0|1,0,0]=3 269 B7R0.5 CC(C)[C@@H](N)CCO F53816 [0,1,1,0,0,0|1,0,0]=3 270 B7R0.5 COC[C@H](N)C(C)C 71787 [0,1,1,0,0,0|1,0,0]=3 271 B7R0.7 CCC[C@H](N)CCO N15481 [0,1,1,0,0,0|0,0,0]=2 272 B7R0.7 CCC[C@H](N)CCO N15482 [0,1,1,0,0,0|0,0,0]=2 273 B7R0.7 COCC(Br)COC D74902 [0,1,1,0,0,0|2,0,0]=4 274 B7R0.7 COCC(N)COC AT12494 [0,1,1,0,0,0|1,0,0]=3 275 B7R0.10 CCC(C)C(N)CO D75056 [0,1,1,0,0,0|1,0,0]=3 276 B7R0.11 CCCC(C)(C)CC T71064 [0,1,1,0,0,0|1,0,0]=3 277 B7R0.11 CCOC(C)(C)CC D78478 [0,1,1,0,0,0|2,0,0]=4 278 B7R0.4 CC(C)CSCCN AT25570 [0,1,1,0,0,0|2,0,0]=4 279 B7R0.4 CCCCCC(N)=S W19000 [0,1,1,0,0,0|1,0,1]=4 280 B7R0.4 CCNCCC(N)=O A11725 [0,1,1,0,0,0|1,0,1]=4 281 B7R0.4 CN(C)CCCCN V10255 [0,1,1,0,0,0|2,0,0]=4 282 B7R0.4 CNCCCC(N)=O AB11605 [0,1,1,0,0,0|1,0,1]=4 283 B7R0.4 C[S@](=O)CCCCN 13216 [0,1,1,0,0,0|2,0,0]=4 284 B7R0.4 NC(=O)CCCCBr AC9465 [0,1,1,0,0,0|1,0,1]=4 285 B7R0.4 NC(=O)CCCCCl AC5718 [0,1,1,0,0,0|1,0,1]=4 286 B7R0.4 NCCCCC(N)=O AC3685 [0,1,1,0,0,0|1,0,1]=4 287 B7R0.6 CC(C)CC[C@H](C)N C11213 [0,1,1,0,0,0|0,0,0]=2 288 B7R0.6 CC(C)OC[C@H](C)O T72421 [0,1,1,0,0,0|2,0,0]=4 289 B7R0.8 CCCC[Si](C)(Cl)Cl C15141 [0,1,1,0,0,0|1,1,0]=4 290 B7R0.8 CCCNC(C)(C)C AT13992 [0,1,1,0,0,0|2,0,0]=4 291 B7R0.8 COCCC(C)(C)N D75145 [0,1,1,0,0,0|1,0,0]=3 292 B7R0.1 C#CCNCCCN AT19978 [0,1,1,0,0,0|0,0,2]=4 293 B7R0.1 C=CCCCCCCl I11994 [0,1,1,0,0,0|1,0,1]=4 294 B7R0.1 C=CCCCCCO F14745 [0,1,1,0,0,0|1,0,1]=4 295 B7R0.1 CNCCCCCO AT11157 [0,1,1,0,0,0|1,0,0]=3 296 B7R0.1 CNCCCCCO AT11158 [0,1,1,0,0,0|1,0,0]=3 297 B7R0.1 COCCNCCO AT12488 [0,1,1,0,0,0|2,0,0]=4 298 B7R0.1 COCCOCCN F50617 [0,1,1,0,0,0|1,0,0]=3 299 B7R0.1 COCCOCCS AT10124 [0,1,1,0,0,0|2,0,0]=4 300 B7R0.1 C\C=C/CCCCC T72919 [0,1,1,0,0,0|1,0,1]=4 301 B7R0.1 NCCSCCCO AT25557 [0,1,1,0,0,0|1,0,0]=3 302 B7R0.1 NCCSSCCN AT21144 [0,1,1,0,0,0|2,0,0]=4 303 B7R0.1 O=CCCCCCCl 24359 [0,1,1,0,0,0|1,0,1]=4 304 B7R0.1 OCCCCCCI AT14272 [0,1,1,0,0,0|1,0,0]=3 305 B7R0.1 OCCCNCCO FD7298 [0,1,1,0,0,0|2,0,0]=4 306 B7R1.1 C#C[C@@H]1CCCN1 P11309 [0,1,0,0,1,0|2,0,0]=4 307 B7R1.1 C#C[C@@H]1CCCN1 P12571 [0,1,0,0,1,0|2,0,0]=4 308 B7R1.1 C#C[C@@H]1CCCN1 P12581 [0,1,0,0,1,0|2,0,0]=4 309 B7R1.1 C#C[C@@H]1CCCN1 P15993 [0,1,0,0,1,0|2,0,0]=4 310 B7R1.1 CCC1CCCC1 T71889 [0,1,0,0,1,0|1,0,0]=3 311 B7R1.1 CC[C@H]1CCCN1 N12693 [0,1,0,0,1,0|2,0,0]=4 312 B7R1.1 CN[C@H]1CCNC1 C14692 [0,1,0,0,1,0|1,0,0]=3 313 B7R1.1 CN[C@H]1CCOC1 P13110 [0,1,0,0,1,0|1,0,0]=3 314 B7R1.1 CN[C@H]1CCOC1 P13111 [0,1,0,0,1,0|1,0,0]=3 315 B7R1.1 CN[C@H]1CCSC1 D72867 [0,1,0,0,1,0|1,0,0]=3 316 B7R1.1 ClC[C@H]1CCCN1 87778 [0,1,0,0,1,0|2,0,0]=4 317 B7R1.1 ClC[C@H]1CCCN1 D76474 [0,1,0,0,1,0|2,0,0]=4 318 B7R1.1 ClC[C@H]1CCOC1 N12624 [0,1,0,0,1,0|2,0,0]=4 319 B7R1.1 FC[C@H]1CCCN1 AT24807 [0,1,0,0,1,0|2,0,0]=4 320 B7R1.1 FC[C@H]1CCCN1 P12668 [0,1,0,0,1,0|2,0,0]=4 321 B7R1.1 N#C[C@@H]1CCCN1 74927 [0,1,0,0,1,0|1,0,1]=4 322 B7R1.1 N#C[C@@H]1CCCN1 C16310 [0,1,0,0,1,0|1,0,1]=4 323 B7R1.1 N#C[C@H]1CCNC1 P10379 [0,1,0,0,1,0|1,0,1]=4 324 B7R1.1 NC[C@H]1CCCN1 C16283 [0,1,0,0,1,0|1,0,0]=3 325 B7R1.1 NC[C@H]1CCCN1 FD10638 [0,1,0,0,1,0|1,0,0]=3 326 B7R1.1 NC[C@H]1CCCN1 S10708 [0,1,0,0,1,0|1,0,0]=3 327 B7R1.1 NC[C@H]1CCOC1 68889 [0,1,0,0,1,0|1,0,0]=3 328 B7R1.1 NN[C@H]1CCOC1 91992 [0,1,0,0,1,0|1,0,0]=3 329 B7R1.1 NN[C@H]1CCOC1 C93321 [0,1,0,0,1,0|1,0,0]=3 330 B7R1.1 NN[C@H]1CCOC1 F15303 [0,1,0,0,1,0|1,0,0]=3 331 B7R1.1 NOC1CCCC1 97656 [0,1,0,0,1,0|0,0,0]=2 332 B7R1.1 OC[C@H]1CCCN1 11147 [0,1,0,0,1,0|2,0,0]=4 333 B7R1.1 ONC1CCCC1 33366 [0,1,0,0,1,0|0,0,0]=2 334 B7R1.1 ONC1CCCC1 33756 [0,1,0,0,1,0|0,0,0]=2 335 B7R1.2 CC1CC(O)CN1 AT24888 [0,1,0,0,1,0|2,0,0]=4 336 B7R1.2 CC1CNC(C)C1 83923 [0,1,0,0,1,0|2,0,0]=4 337 B7R1.2 CN1CC[C@H](N)C1 56133 [0,1,0,0,1,0|1,0,0]=3 338 B7R1.2 CN1CC[C@H](N)C1 AT11189 [0,1,0,0,1,0|1,0,0]=3 339 B7R1.2 C[C@@H]1C[C@H](F)CN1 73102 [0,1,0,0,1,0|2,0,0]=4 340 B7R1.2 C[C@H]1CC[C@@H](C)C1 T70658 [0,1,0,0,1,0|1,0,0]=3 341 B7R1.2 N[C@H]1CCC(=O)C1 C14417 [0,1,0,0,1,0|0,0,1]=3 342 B7R1.2 N[C@H]1CC[C@H](F)C1 C93268 [0,1,0,0,1,0|0,0,0]=2 343 B7R1.2 N[C@H]1CC[C@H](F)C1 C93270 [0,1,0,0,1,0|0,0,0]=2 344 B7R1.2 O=C1CC[C@H](F)C1 P11910 [0,1,0,0,1,0|1,0,1]=4 345 B7R1.4 CC1CNCC1O 72148 [0,1,0,0,1,0|2,0,0]=4 346 B7R1.4 CC1CNCC1O AT22587 [0,1,0,0,1,0|2,0,0]=4 347 B7R1.4 C[C@@H]1CCC[C@@H]1N 97379 [0,1,0,0,1,0|0,0,0]=2 348 B7R1.4 C[C@@H]1CNC[C@@H]1N AT23641 [0,1,0,0,1,0|1,0,0]=3 349 B7R1.4 C[C@@H]1CNC[C@@H]1N F13020 [0,1,0,0,1,0|1,0,0]=3 350 B7R1.4 C[C@@H]1CNC[C@@H]1N F13021 [0,1,0,0,1,0|1,0,0]=3 351 B7R1.4 F[C@H]1CNC[C@H]1F AT14980 [0,1,0,0,1,0|2,0,0]=4 352 B7R1.4 NC1CCCC1N 77840 [0,1,0,0,1,0|0,0,0]=2 353 B7R1.4 NC1COCC1O F19779 [0,1,0,0,1,0|1,0,0]=3 354 B7R1.4 N[C@@H]1CCC[C@@H]1O P12481 [0,1,0,0,1,0|0,0,0]=2 355 B7R1.4 N[C@@H]1COC[C@@H]1O F53614 [0,1,0,0,1,0|1,0,0]=3 356 B7R1.4 N[C@@H]1COC[C@@H]1O P17902 [0,1,0,0,1,0|1,0,0]=3 357 B7R1.4 N[C@H]1CCOC1=O S11138 [0,1,0,0,1,0|1,0,1]=4 358 B7R1.4 N[C@H]1COC[C@@H]1O P17884 [0,1,0,0,1,0|1,0,0]=3 359 B7R1.4 OC1COCC1Br AC8201 [0,1,0,0,1,0|2,0,0]=4 360 B7R1.4 O[C@H]1CCC[C@@H]1O W19719 [0,1,0,0,1,0|1,0,0]=3 361 B7R1.4 O[C@H]1CNC[C@@H]1F P15635 [0,1,0,0,1,0|2,0,0]=4 362 B7R1.4 O[C@H]1CNC[C@@H]1O AT22802 [0,1,0,0,1,0|2,0,0]=4 363 B7R1.14 CC1(N)CCCC1 F50575 [0,1,0,0,1,0|0,0,0]=2 364 B7R1.14 C[C@]1(N)CCNC1 97388 [0,1,0,0,1,0|1,0,0]=3 365 B7R1.14 C[C@]1(N)CCOC1 AT12753 [0,1,0,0,1,0|1,0,0]=3 366 B9R1.5 C[C@H]1CCNCCN1C AC6586 [0,1,0,0,0,1|2,0,0]=4 367 B9R1.5 NC1COCOCC1O F51261 [0,1,0,0,0,1|1,0,0]=3 368 B9R1.5 NC1COCOCC1O F51262 [0,1,0,0,0,1|1,0,0]=3 369 B9R1.5 N[C@H]1CCCCC[C@@H]1O AT10930 [0,1,0,0,0,1|0,0,0]=2 370 B9R1.5 N[C@H]1CSCCNC1=O C16734 [0,1,0,0,0,1|1,0,1]=4 371 B9R1.5 O=C1CCCCC[C@@H]1Br AT20921 [0,1,0,0,0,1|1,0,0]=3 372 B9R1.5 O=C1CCCCC[C@@H]1Cl T71318 [0,1,0,0,0,1|1,0,0]=3 373 B9R1.5 O=C1CCNCC[C@@H]1Br C90706 [0,1,0,0,0,1|1,0,1]=4 374 B9R1.5 O=C1NCCCC[C@@H]1Br F50955 [0,1,0,0,0,1|1,0,1]=4 375 B9R1.48 CN1CCCC[C@H](N)C1 AT11195 [0,1,0,0,0,1|0,0,0]=2 376 B9R1.48 C[C@H]1CN(C)CCCN1 90920 [0,1,0,0,0,1|2,0,0]=4 377 B9R1.49 OC1CCC(O)CSC1 F51867 [0,1,0,0,0,1|1,0,0]=3 378 B9R1.89 CN[C@H]1CCCCNC1 97599 [0,1,0,0,0,1|0,0,0]=2 379 B9R1.89 CN[C@H]1CCCCNC1 97600 [0,1,0,0,0,1|0,0,0]=2 380 B9R1.89 O=CC1CCCCCC1 AT13628 [0,1,0,0,0,1|1,0,0]=3 381 B9R1.89 OC[C@H]1CCCNCC1 73020 [0,1,0,0,0,1|1,0,0]=3 382 B9R1.148 CC1(C)CCCNCC1 AT20041 [0,1,0,0,0,1|1,0,0]=3 383 B9R1.148 CC1(C)CNCCCN1 AT13212 [0,1,0,0,0,1|2,0,0]=4 384 B9R1.148 CC1(C)CNCCCN1 AT20052 [0,1,0,0,0,1|2,0,0]=4 385 B9R1.148 C[C@]1(O)CCCNCC1 P12010 [0,1,0,0,0,1|1,0,0]=3 386 B9R1.148 C[C@]1(O)CNCCOC1 D84909 [0,1,0,0,0,1|2,0,0]=4 387 B9R1.148 FC1(F)CCCNCC1 P18983 [0,1,0,0,0,1|1,0,0]=3 388 B9R1.148 FC1(F)CNCCNC1 72863 [0,1,0,0,0,1|2,0,0]=4 389 B9R1.1 CC1CCC(CBr)CC1 72498 [0,2,0,0,0,0|1,0,0]=3 390 B9R1.1 CC1CCC(CCl)CC1 AC2846 [0,2,0,0,0,0|1,0,0]=3 391 B9R1.1 CCN1CCC(N)CC1 75204 [0,2,0,0,0,0|1,0,0]=3 392 B9R1.1 CC[C@H]1CC[C@H](N)CC1 AT14260 [0,2,0,0,0,0|0,0,0]=2 393 B9R1.1 CN1CCC(NN)CC1 C75403 [0,2,0,0,0,0|1,0,0]=3 394 B9R1.1 CN1CCC(ON)CC1 97663 [0,2,0,0,0,0|1,0,0]=3 395 B9R1.1 CNC1CCC(=O)CC1 AB9600 [0,2,0,0,0,0|0,0,1]=3 396 B9R1.1 CON1CCC(O)CC1 92074 [0,2,0,0,0,0|2,0,0]=4 397 B9R1.1 C[C@H]1CCC(CO)CN1 93005 [0,2,0,0,0,0|2,0,0]=4 398 B9R1.1 N#CC1CCC(N)CC1 F18888 [0,2,0,0,0,0|0,0,0]=2 399 B9R1.1 NCC1CCC(F)CC1 66265 [0,2,0,0,0,0|0,0,0]=2 400 B9R1.1 NCC1CCC(O)CC1 C77951 [0,2,0,0,0,0|0,0,0]=2 401 B9R1.1 O=C1CCC(CBr)CC1 C77512 [0,2,0,0,0,0|1,0,1]=4 402 B9R1.2 CC1CCCC(CO)N1 P11618 [0,2,0,0,0,0|2,0,0]=4 403 B9R1.2 CC1CNCC(CO)C1 P19048 [0,2,0,0,0,0|2,0,0]=4 404 B9R1.2 CN1CCC[C@H](C=O)C1 I11140 [0,2,0,0,0,0|2,0,0]=4 405 B9R1.2 CN1CCC[C@H](CN)C1 D78816 [0,2,0,0,0,0|1,0,0]=3 406 B9R1.2 CN1CCC[C@H](CN)C1 P11113 [0,2,0,0,0,0|1,0,0]=3 407 B9R1.2 CN[C@@H]1CCC[C@H](O)C1 H11103 [0,2,0,0,0,0|0,0,0]=2 408 B9R1.6 CC(=O)[C@@H]1CCCCN1 F16683 [0,2,0,0,0,0|2,0,0]=4 409 B9R1.6 CC(=O)[C@H]1CCCNC1 P11325 [0,2,0,0,0,0|2,0,0]=4 410 B9R1.6 CC(=O)[C@H]1CCCOC1 AT13308 [0,2,0,0,0,0|2,0,0]=4 411 B9R1.6 CC(C)[C@H]1CCCNC1 F53728 [0,2,0,0,0,0|2,0,0]=4 412 B9R1.6 CN(C)C1CCOCC1 D77650 [0,2,0,0,0,0|1,0,0]=3 413 B9R1.6 CN(C)[C@H]1CCCNC1 D84000 [0,2,0,0,0,0|1,0,0]=3 414 B9R1.6 CN(C)[C@H]1CCCNC1 Y10739 [0,2,0,0,0,0|1,0,0]=3 415 B9R1.6 C[C@H](Br)C1CCCCC1 O10008 [0,2,0,0,0,0|1,0,0]=3 416 B9R1.6 C[C@H](N)C1CCCCC1 79907 [0,2,0,0,0,0|0,0,0]=2 417 B9R1.6 C[C@H](N)C1CCCCC1 79908 [0,2,0,0,0,0|0,0,0]=2 418 B9R1.6 C[C@H](N)C1CCCCO1 79891 [0,2,0,0,0,0|1,0,0]=3 419 B9R1.6 C[C@H](N)C1CCCOC1 79879 [0,2,0,0,0,0|1,0,0]=3 420 B9R1.6 C[C@H](N)C1CCCOC1 79880 [0,2,0,0,0,0|1,0,0]=3 421 B9R1.6 C[C@H](N)C1CCCOC1 79881 [0,2,0,0,0,0|1,0,0]=3 422 B9R1.6 C[C@H](N)C1CCCOC1 79882 [0,2,0,0,0,0|1,0,0]=3 423 B9R1.6 C[C@H](N)C1CCOCC1 AT13557 [0,2,0,0,0,0|1,0,0]=3 424 B9R1.6 C[C@H](N)C1CCOCC1 D77651 [0,2,0,0,0,0|1,0,0]=3 425 B9R1.6 C[C@H](O)C1CCCCC1 D77196 [0,2,0,0,0,0|1,0,0]=3 426 B9R1.6 FC(F)C1CCNCC1 P11049 [0,2,0,0,0,0|2,0,0]=4 427 B9R1.6 N=C(N)N1CCNCC1 28097 [0,2,0,0,0,0|2,0,0]=4 428 B9R1.6 N=C(N)N1CCNCC1 S12113 [0,2,0,0,0,0|2,0,0]=4 429 B9R1.6 N=C(N)N1CCOCC1 H11587 [0,2,0,0,0,0|2,0,0]=4 430 B9R1.6 N=C(N)N1CCSCC1 AT25298 [0,2,0,0,0,0|2,0,0]=4 431 B9R1.6 NC(=O)N1CCNCC1 D76637 [0,2,0,0,0,0|2,0,0]=4 432 B9R1.6 NC(=O)N1CCOCC1 F14225 [0,2,0,0,0,0|2,0,0]=4 433 B9R1.6 NC(=O)[C@@H]1CCCCN1 CS3415 [0,2,0,0,0,0|1,0,0]=3 434 B9R1.6 NC(=O)[C@@H]1CNCCO1 W13722 [0,2,0,0,0,0|2,0,0]=4 435 B9R1.6 NC(=O)[C@@H]1COCCN1 F17613 [0,2,0,0,0,0|2,0,0]=4 436 B9R1.6 NC(=O)[C@@H]1COCCN1 F19100 [0,2,0,0,0,0|2,0,0]=4 437 B9R1.6 O=C(O)[C@@H]1CCCCS1 90959 [0,2,0,0,0,0|2,0,0]=4 438 B9R1.8 C#CCC1CCNCC1 AT11974 [0,2,0,0,0,0|2,0,0]=4 439 B9R1.8 C#CC[C@H]1CCCNC1 AT11977 [0,2,0,0,0,0|2,0,0]=4 440 B9R1.8 C=CC[C@H]1CCCCN1 A51152 [0,2,0,0,0,0|2,0,0]=4 441 B9R1.8 CCCC1CCNCC1 C75224 [0,2,0,0,0,0|2,0,0]=4 442 B9R1.8 CCC[C@H]1CCCCN1 F16887 [0,2,0,0,0,0|2,0,0]=4 443 B9R1.8 CCNC1CCNCC1 AC8313 [0,2,0,0,0,0|1,0,0]=3 444 B9R1.8 CNCC1CCCCC1 P19116 [0,2,0,0,0,0|0,0,0]=2 445 B9R1.8 CNCC1CCOCC1 71672 [0,2,0,0,0,0|1,0,0]=3 446 B9R1.8 CNC[C@H]1CCCCO1 F16332 [0,2,0,0,0,0|1,0,0]=3 447 B9R1.8 COC[C@H]1CCCCN1 31181 [0,2,0,0,0,0|2,0,0]=4 448 B9R1.8 COC[C@H]1CCCCN1 Y11003 [0,2,0,0,0,0|2,0,0]=4 449 B9R1.8 COC[C@H]1CCCNC1 C78400 [0,2,0,0,0,0|2,0,0]=4 450 B9R1.8 N#CC=C1CCCCC1 F51913 [0,2,0,0,0,0|0,0,2]=4 451 B9R1.8 N#CCC1CCNCC1 32762 [0,2,0,0,0,0|1,0,1]=4 452 B9R1.8 N#CC[C@H]1CCCOC1 AT23687 [0,2,0,0,0,0|1,0,1]=4 453 B9R1.8 NCCC1CCNCC1 65278 [0,2,0,0,0,0|1,0,0]=3 454 B9R1.8 NCC[C@H]1CCCCN1 D76613 [0,2,0,0,0,0|1,0,0]=3 455 B9R1.8 NCC[C@H]1CCCCO1 SC1551 [0,2,0,0,0,0|1,0,0]=3 456 B9R1.8 NCC[C@H]1CCCNC1 D76642 [0,2,0,0,0,0|1,0,0]=3 457 B9R1.8 NCC[C@H]1CCCOC1 AT23688 [0,2,0,0,0,0|1,0,0]=3 458 B9R1.8 NCC[C@H]1CCCOC1 AT23689 [0,2,0,0,0,0|1,0,0]=3 459 B9R1.8 NCC[C@H]1COCCN1 A50776 [0,2,0,0,0,0|2,0,0]=4 460 B9R1.8 NCC[C@H]1COCCN1 C77968 [0,2,0,0,0,0|2,0,0]=4 461 B9R1.8 NNCC1CCCCC1 P11239 [0,2,0,0,0,0|0,0,0]=2 462 B9R1.8 OCC[C@H]1CCCOC1 AT23679 [0,2,0,0,0,0|2,0,0]=4 463 B9R1.15 CCC1CCCCC1C T72380 [0,2,0,0,0,0|1,0,0]=3 464 B9R1.15 CCC1CCCCC1O D90497 [0,2,0,0,0,0|1,0,0]=3 465 B9R1.15 CN1CCOC[C@@H]1CN 27733 [0,2,0,0,0,0|2,0,0]=4 466 B9R1.15 CN1CCOC[C@@H]1CN 77625 [0,2,0,0,0,0|2,0,0]=4 467 B9R1.15 CN[C@H]1CNCC[C@H]1C 44571 [0,2,0,0,0,0|1,0,0]=3 468 B9R1.15 COC1CCCCC1N C77572 [0,2,0,0,0,0|0,0,0]=2 469 B9R1.15 COC1CNCCC1C 33459 [0,2,0,0,0,0|2,0,0]=4 470 B9R1.15 CO[C@H]1CCCC[C@@H]1N 89668 [0,2,0,0,0,0|0,0,0]=2 471 B9R1.15 CO[C@H]1CCCC[C@@H]1O A12017 [0,2,0,0,0,0|1,0,0]=3 472 B9R1.15 CO[C@H]1CCNC[C@@H]1O P16832 [0,2,0,0,0,0|2,0,0]=4 473 B9R1.15 CO[C@H]1CCOC[C@@H]1N AT13729 [0,2,0,0,0,0|1,0,0]=3 474 B9R1.15 CO[C@H]1COCC[C@@H]1N AT20176 [0,2,0,0,0,0|1,0,0]=3 475 B9R1.15 CO[C@H]1COCC[C@@H]1N P15681 [0,2,0,0,0,0|1,0,0]=3 476 B9R1.15 N#CC1CCCCC1N AT21039 [0,2,0,0,0,0|0,0,0]=2 477 B9R1.15 NCC1CCCCC1O C77667 [0,2,0,0,0,0|0,0,0]=2 478 B9R1.15 NC[C@@H]1CCNC[C@@H]1O P16189 [0,2,0,0,0,0|1,0,0]=3 479 B9R1.15 N[C@H]1CCCC[C@@H]1CO C80022 [0,2,0,0,0,0|0,0,0]=2 480 B9R1.15 O=C1CCCC[C@@H]1CO F18113 [0,2,0,0,0,0|1,0,1]=4 481 B9R1.15 O=C[C@@H]1CCCCC1=O AT23975 [0,2,0,0,0,0|1,0,1]=4 482 B9R1.15 OCC1CCNCC1O 33470 [0,2,0,0,0,0|2,0,0]=4 483 B9R1.15 OCC1CNCCC1O 33707 [0,2,0,0,0,0|2,0,0]=4 484 B9R1.15 OC[C@@H]1CCNC[C@@H]1O P17708 [0,2,0,0,0,0|2,0,0]=4 485 B9R1.15 OC[C@H]1CCNC[C@@H]1O P12895 [0,2,0,0,0,0|2,0,0]=4 486 B9R1.118 C#C[C@@]1(C)CCCNC1 91401 [0,2,0,0,0,0|2,0,0]=4 487 B9R1.118 C#C[C@]1(O)CCCNC1 91402 [0,2,0,0,0,0|2,0,0]=4 488 B9R1.118 CC1(C=O)CCSCC1 AT10702 [0,2,0,0,0,0|2,0,0]=4 489 B9R1.118 CC1(CN)CCCCC1 71856 [0,2,0,0,0,0|0,0,0]=2 490 B9R1.118 CC1(CO)CCNCC1 53326 [0,2,0,0,0,0|2,0,0]=4 491 B9R1.118 COC1(C)CCNCC1 F13725 [0,2,0,0,0,0|2,0,0]=4 492 B9R1.118 C[C@]1(CO)CCCNC1 55565 [0,2,0,0,0,0|2,0,0]=4 493 B9R1.118 C[C@]1(CO)CCCNC1 55575 [0,2,0,0,0,0|2,0,0]=4 494 B9R1.118 FC1(CBr)CCCCC1 C93351 [0,2,0,0,0,0|1,0,0]=3 495 B9R1.118 NC1(CO)CCCCC1 AT12680 [0,2,0,0,0,0|0,0,0]=2 496 B9R1.118 NC1(CO)CCCCC1 AT12681 [0,2,0,0,0,0|0,0,0]=2 497 B9R1.118 NC1(CO)CCCCC1 D74962 [0,2,0,0,0,0|0,0,0]=2 498 B9R1.118 NC1(CO)CCNCC1 D75162 [0,2,0,0,0,0|1,0,0]=3 499 B9R1.118 NCC1(F)CCOCC1 85782 [0,2,0,0,0,0|1,0,0]=3 500 B9R1.118 NCC1(N)CCCCC1 D73325 [0,2,0,0,0,0|0,0,0]=2 501 B9R1.118 NCC1(O)CCCCC1 C78197 [0,2,0,0,0,0|0,0,0]=2 502 B9R1.118 NCC1(O)CCNCC1 F30912 [0,2,0,0,0,0|1,0,0]=3 503 B9R1.118 OCC1(F)CCCCC1 26699 [0,2,0,0,0,0|1,0,0]=3 504 B9R1.118 OCC1(F)CCNCC1 P17075 [0,2,0,0,0,0|2,0,0]=4 505 B9R1.10 C[Si]1(C)CCN(N)CC1 P14798 [0,2,0,0,0,0|1,1,0]=4 506 B9R1.10 NN1CCS(=O)(=O)CC1 AT25286 [0,2,0,0,0,0|2,0,0]=4 507 B9R1.69 CC1CC(N)CCN1C P11329 [0,2,0,0,0,0|1,0,0]=3 508 B9R1.69 CN1CC[C@H](N)CC1=O P10312 [0,2,0,0,0,0|1,0,1]=4 509 B9R1.3 CC1CCCC(C)C1C T71900 [0,2,0,0,0,0|1,0,0]=3 510 B9R1.3 CN1CCC[C@H](N)C1=O P11331 [0,2,0,0,0,0|1,0,1]=4 511 B9R1.34 CC1CC(O)CC(C)N1 32765 [0,2,0,0,0,0|2,0,0]=4 512 B9R1.34 CC1CC(O)CC(C)O1 AT13096 [0,2,0,0,0,0|2,0,0]=4 513 B9R1.34 CN1CC(N)CC(F)C1 P21025 [0,2,0,0,0,0|1,0,0]=3 514 B9R1.66 CC1(C)CCC[C@H](O)C1 F20634 [0,2,0,0,0,0|1,0,0]=3 515 B9R1.66 CC1(C)COC[C@@H](N)O1 65986 [0,2,0,0,0,0|2,0,0]=4 516 B9R1.66 CC1(C)C[C@@H](N)CCO1 32721 [0,2,0,0,0,0|1,0,0]=3 517 B9R1.66 CC1(C)C[C@@H](N)CCS1 89937 [0,2,0,0,0,0|1,0,0]=3 518 B9R1.66 CC1(C)C[C@@H](O)CCN1 Y10086 [0,2,0,0,0,0|2,0,0]=4 519 B9R1.66 C[C@H]1CC(F)(F)CCN1 AT11441 [0,2,0,0,0,0|2,0,0]=4 520 B9R1.66 C[C@H]1CC(F)(F)CCN1 AT11442 [0,2,0,0,0,0|2,0,0]=4 521 B9R1.66 C[C@H]1CCCC(C)(C)C1 T72270 [0,2,0,0,0,0|1,0,0]=3 522 B9R1.66 N[C@H]1CCCC(F)(F)C1 P20962 [0,2,0,0,0,0|0,0,0]=2 523 B9R1.66 N[C@H]1CCCS(=O)(=O)C1 AT10979 [0,2,0,0,0,0|1,0,0]=3 524 B9R1.66 O=S1(=O)CCC[C@H](O)C1 AT13041 [0,2,0,0,0,0|2,0,0]=4 525 B9R1.40 CC1(N)CCNCC1O 92292 [0,2,0,0,0,0|1,0,0]=3 526 B7R1.6 OCC[C@H]1CCN1 D76473 [0,0,1,1,0,0|1,0,0]=3 527 B7R1.6 OCC[C@H]1CCN1 F50335 [0,0,1,1,0,0|1,0,0]=3 528 B7R1.8 OC[C@H]1CC[C@@H]1O D79582 [0,0,1,1,0,0|2,0,0]=4 529 B7R1.21 CCCC1(O)CC1 AT11368 [0,0,1,1,0,0|1,0,0]=3 530 B7R1.21 CCOC1(Br)CC1 F53374 [0,0,1,1,0,0|2,0,0]=4 531 B7R1.21 CCOC1(N)CC1 AT19095 [0,0,1,1,0,0|1,0,0]=3 532 B7R1.21 NCCC1(N)CC1 50075 [0,0,1,1,0,0|1,0,0]=3 533 B7R1.21 OCCC1(O)CC1 33693 [0,0,1,1,0,0|2,0,0]=4 534 B7R1.22 C#C[C@@H](N)C1CC1 AC1318 [0,0,1,1,0,0|0,0,2]=4 535 B7R1.22 CCC(=O)C1CC1 P11281 [0,0,1,1,0,0|1,0,1]=4 536 B7R1.22 NC[C@H](N)C1CC1 I11913 [0,0,1,1,0,0|1,0,0]=3 537 B7R1.22 NC[C@H](N)C1CC1 N10759 [0,0,1,1,0,0|1,0,0]=3 538 B7R1.22 NC[C@H](O)C1CC1 V10284 [0,0,1,1,0,0|2,0,0]=4 539 B7R1.22 N[C@@H](CO)C1CC1 AT25644 [0,0,1,1,0,0|1,0,0]=3 540 B7R1.22 N[C@@H](CO)C1CC1 N11216 [0,0,1,1,0,0|1,0,0]=3 541 B7R1.25 CCC1(N)CNC1 P11231 [0,0,1,1,0,0|1,0,0]=3 542 B7R1.25 CCC1(N)COC1 CS2262 [0,0,1,1,0,0|1,0,0]=3 543 B7R1.18 C[C@H](N)C1CCC1 32380 [0,0,1,1,0,0|0,0,0]=2 544 B7R1.18 C[C@H](N)C1CCC1 93059 [0,0,1,1,0,0|0,0,0]=2 545 B7R1.18 C[C@H](N)C1CCC1 93061 [0,0,1,1,0,0|0,0,0]=2 546 B7R1.18 NC(=S)C1CCC1 N12939 [0,0,1,1,0,0|1,0,1]=4 547 B7R1.20 CC(=O)CC1CC1 N12620 [0,0,1,1,0,0|1,0,1]=4 548 B7R1.20 CC(C)NC1CC1 AT12484 [0,0,1,1,0,0|2,0,0]=4 549 B7R1.23 CC1(C)C[C@@H]1CN 69322 [0,0,1,1,0,0|2,0,0]=4 550 B7R1.23 CC1(C)C[C@@H]1CN AT12868 [0,0,1,1,0,0|2,0,0]=4 551 B7R1.24 C1=CCCNCC1 C13802 [0,0,1,1,0,0|0,0,2]=4 552 B7R1.24 C1CCCNCC1 D77224 [0,0,1,1,0,0|0,0,0]=2 553 B7R1.24 C1CCNNCC1 AB9014 [0,0,1,1,0,0|1,0,0]=3 554 B7R1.24 C1CNCCSC1 W16417 [0,0,1,1,0,0|1,0,0]=3 555 B7R2.13 C1CC2CC2N1 P10693 [1,0,0,1,0,0|1,0,0]=3 556 B9R2.7 CN1C[C@@H]2CNC[C@@H]21 P15794 [0,0,0,1,0,1|2,0,0]=4 557 B9R2.7 CN1C[C@@H]2CNC[C@@H]21 P17077 [0,0,0,1,0,1|2,0,0]=4 558 B9R2.7 O=C1N[C@H]2CCC[C@@H]12 F12974 [0,0,0,1,0,1|1,0,1]=4 559 B9R2.68 C1=C[C@H]2CC[C@@H](C1)C2 T71364 [0,0,0,1,0,1|1,0,1]=4 560 B9R2.68 C1CC2CNCC1N2 F12443 [0,0,0,1,0,1|0,0,0]=2 561 B9R2.68 C1CN2CCC(C2)N1 F30915 [0,0,0,1,0,1|2,0,0]=4 562 B9R2.109 CN1CCNC2CC21 D96634 [0,0,0,1,0,1|2,0,0]=4 563 B9R2.47 N#C[C@@H]1C[C@@H]2C[C@@H]2N1 P12572 [0,1,0,1,0,0|1,0,1]=4 564 B9R2.49 C1CC2CCC1CN2 P11101 [0,1,0,1,0,0|0,0,0]=2 565 B9R2.50 C1CCC2NCC2C1 P11106 [0,1,0,1,0,0|0,0,0]=2 566 B9R2.56 OCC12CCNC1C2 91927 [0,1,0,1,0,0|2,0,0]=4 567 B9R2.56 OC[C@]12CNC[C@H]1C2 C90730 [0,1,0,1,0,0|2,0,0]=4 568 B9R2.65 O=CC1C2COCC12 69810 [0,1,0,1,0,0|2,0,0]=4 569 B9R2.65 OCC1C2CNCC12 D87850 [0,1,0,1,0,0|2,0,0]=4 570 B9R2.8 CN1CC2CC(C1)N2 S12233 [0,1,0,1,0,0|1,0,0]=3 571 B9R2.39 NC1CC2CCC1C2 F30523 [0,1,0,1,0,0|0,0,0]=2 572 B9R2.39 NC1CC2CCC1O2 P12536 [0,1,0,1,0,0|0,0,0]=2 573 B9R2.39 N[C@H]1C[C@@H]2CC[C@H]1C2 AT24377 [0,1,0,1,0,0|0,0,0]=2 574 B9R2.39 N[C@H]1C[C@@H]2CC[C@H]1C2 AT24388 [0,1,0,1,0,0|0,0,0]=2 575 B9R2.39 N[C@H]1C[C@H]2CC[C@@H]1C2 AT24387 [0,1,0,1,0,0|0,0,0]=2 576 B9R2.39 O[C@@H]1C[C@H]2CC[C@@H]1O2 F50034 [0,1,0,1,0,0|1,0,0]=3 577 B9R2.39 O[C@H]1C[C@@H]2C[C@H]1CN2 D79090 [0,1,0,1,0,0|2,0,0]=4 578 B9R2.39 O[C@H]1C[C@H]2C[C@@H]1CN2 D79089 [0,1,0,1,0,0|2,0,0]=4 579 B5R1.1 C1CNOC1 F14141 [1,0,0,0,1,0|2,0,0]=4 580 B5R1.2 C[C@H]1CCN1 71554 [0,0,0,0,2,0|2,0,0]=4 581 B5R1.2 FC1CNC1 31039 [0,0,0,0,2,0|2,0,0]=4 582 B5R1.2 IC1CNC1 P11673 [0,0,0,0,2,0|2,0,0]=4 583 B5R1.2 NC1CNC1 AC2715 [0,0,0,0,2,0|1,0,0]=3