0 B6R1.1 C1=COCCO1 T71041 [0,0,0,0,0,0|2,0,2]=4 1 B6R1.1 C1CCNCC1 S11730 [0,0,0,0,0,0|1,0,0]=1 2 B6R1.1 C1CCONC1 P10408 [0,0,0,0,0,0|2,0,0]=2 3 B6R1.1 C1CNCOC1 C72764 [0,0,0,0,0,0|2,0,0]=2 4 B7R1.3 BrC1=CCCNC1 D85784 [0,1,0,0,0,0|1,0,1]=3 5 B7R1.3 Br[C@H]1CCCNC1 C14028 [0,1,0,0,0,0|1,0,0]=2 6 B7R1.3 C=C1CCCNC1 W15931 [0,1,0,0,0,0|1,0,1]=3 7 B7R1.3 C=C1CCNCC1 33821 [0,1,0,0,0,0|1,0,0]=2 8 B7R1.3 CC1=CCOCC1 F17726 [0,1,0,0,0,0|2,0,1]=4 9 B7R1.3 C[C@H]1CCCCN1 N14212 [0,1,0,0,0,0|1,0,0]=2 10 B7R1.3 C[C@H]1CCCNC1 F14484 [0,1,0,0,0,0|1,0,0]=2 11 B7R1.3 C[C@H]1CNCCS1 AT10751 [0,1,0,0,0,0|1,0,0]=2 12 B7R1.3 C[C@H]1CNCCS1 AT25278 [0,1,0,0,0,0|1,0,0]=2 13 B7R1.3 C[C@H]1CSCCN1 AT10756 [0,1,0,0,0,0|1,0,0]=2 14 B7R1.3 C[C@H]1CSCCN1 AT10759 [0,1,0,0,0,0|1,0,0]=2 15 B7R1.3 ClC1=CCCCC1 FD10699 [0,1,0,0,0,0|2,0,1]=4 16 B7R1.3 NN1CCNCC1 I10257 [0,1,0,0,0,0|0,0,0]=1 17 B7R1.3 NN1CCNCC1 P19252 [0,1,0,0,0,0|0,0,0]=1 18 B7R1.3 N[C@@H]1C=CCCC1 AB10372 [0,1,0,0,0,0|2,0,1]=4 19 B7R1.3 N[C@@H]1CC=CCC1 AB8978 [0,1,0,0,0,0|2,0,1]=4 20 B7R1.3 N[C@H]1CCCOC1 F31015 [0,1,0,0,0,0|2,0,0]=3 21 B7R1.3 N[C@H]1CCCOC1 P11042 [0,1,0,0,0,0|2,0,0]=3 22 B7R1.3 O=S1CCOCC1 A51207 [0,1,0,0,0,0|2,0,0]=3 23 B7R1.3 S=C1CCCCC1 N16924 [0,1,0,0,0,0|2,0,0]=3 24 B5R0.2 C#CCCOC AC9661 [0,0,1,0,0,0|2,0,1]=4 25 B5R0.2 C#CCNCC AT19974 [0,0,1,0,0,0|1,0,1]=3 26 B5R0.2 CC#CCNC AT19972 [0,0,1,0,0,0|1,0,1]=3 27 B5R0.2 CCCCNN AC6660 [0,0,1,0,0,0|2,0,0]=3 28 B5R0.2 CCCCNO AT14838 [0,0,1,0,0,0|2,0,0]=3 29 B5R0.2 CCCNOC AT24927 [0,0,1,0,0,0|2,0,0]=3 30 B5R0.2 CNCCSC D87904 [0,0,1,0,0,0|1,0,0]=2 31 B5R0.2 COCCNN AC7088 [0,0,1,0,0,0|2,0,0]=3 32 B5R0.2 CONCCO AT24903 [0,0,1,0,0,0|2,0,0]=3 33 B5R0.2 C\C=C\CCN AT22492 [0,0,1,0,0,0|1,0,1]=3 34 B5R0.2 N#CCCCN N13271 [0,0,1,0,0,0|2,0,1]=4 35 B5R0.2 N#CCCNN F20777 [0,0,1,0,0,0|3,0,0]=4 36 B5R0.2 NCC#CCN AT19982 [0,0,1,0,0,0|2,0,1]=4 37 B5R0.2 NCC#CCO AT19985 [0,0,1,0,0,0|2,0,1]=4 38 B5R0.2 NCCCNN W10659 [0,0,1,0,0,0|3,0,0]=4 39 B5R0.2 NCCCNO AT14843 [0,0,1,0,0,0|3,0,0]=4 40 B5R0.2 NNCCCO W10664 [0,0,1,0,0,0|3,0,0]=4 41 B5R0.2 NOCCCO P16653 [0,0,1,0,0,0|3,0,0]=4 42 B5R0.2 [2H]OCCCC D98922 [0,0,1,0,0,0|3,0,0]=4 43 B7R2.13 C1CC2CC2N1 P10693 [0,0,0,1,0,0|1,0,0]=2 44 B5R1.1 C1=NCCO1 F18129 [0,0,0,0,1,0|1,0,2]=4 45 B5R1.1 C1=NNCC1 F12428 [0,0,0,0,1,0|1,0,1]=3 46 B5R1.1 C1CNOC1 F14141 [0,0,0,0,1,0|1,0,0]=2 47 B7R1.24 C1=CCCNCC1 C13802 [0,0,0,0,0,1|1,0,0]=2 48 B7R1.24 C1CCCNCC1 D77224 [0,0,0,0,0,1|1,0,0]=2 49 B7R1.24 C1CCNNCC1 AB9014 [0,0,0,0,0,1|1,0,0]=2 50 B7R1.24 C1CNCCSC1 W16417 [0,0,0,0,0,1|1,0,0]=2 51 B4R0.2 C=CCCN AT25938 [1,0,1,0,0,0|0,0,2]=4 52 B4R0.2 CC#CCN AT19966 [1,0,1,0,0,0|0,0,2]=4 53 B4R0.2 CCNCC T70517 [1,0,1,0,0,0|0,0,0]=2 54 B4R0.2 CNCCS AT25552 [1,0,1,0,0,0|1,0,0]=3 55 B4R0.2 COCCS AT13674 [1,0,1,0,0,0|2,0,0]=4 56 B4R0.2 NCCCI AC8002 [1,0,1,0,0,0|1,0,0]=3 57 B4R0.2 NCCCN T70141 [1,0,1,0,0,0|1,0,0]=3 58 B4R0.2 NCCCN T70477 [1,0,1,0,0,0|1,0,0]=3 59 B4R0.2 NCCNO AT14839 [1,0,1,0,0,0|1,0,0]=3 60 B4R0.2 [2H]OCCC D99167 [1,0,1,0,0,0|2,0,0]=4 61 B6R0.1 CCC[C@H](C)CBr S11885 [0,1,1,0,0,0|2,0,0]=4 62 B6R0.1 CC[C@H](N)CCO AT22371 [0,1,1,0,0,0|2,0,0]=4 63 B6R0.1 CC[C@H](N)COC D87652 [0,1,1,0,0,0|2,0,0]=4 64 B6R0.1 CC[C@H](N)COC D87653 [0,1,1,0,0,0|2,0,0]=4 65 B6R0.1 CNC[C@@H](C)CN T70175 [0,1,1,0,0,0|2,0,0]=4 66 B6R0.1 CNC[C@H](O)CO 56523 [0,1,1,0,0,0|2,0,0]=4 67 B6R0.1 CNC[C@H](O)CO 56531 [0,1,1,0,0,0|2,0,0]=4 68 B6R0.1 COC[C@@H](O)CN 94766 [0,1,1,0,0,0|2,0,0]=4 69 B6R0.1 COC[C@@H](O)CN 98632 [0,1,1,0,0,0|2,0,0]=4 70 B6R0.1 C[C@H](CN)CCO AT20757 [0,1,1,0,0,0|2,0,0]=4 71 B6R0.1 NC[C@@H](N)CCO AT20759 [0,1,1,0,0,0|2,0,0]=4 72 B6R0.4 C#CCCN(C)C AC9551 [0,1,1,0,0,0|1,0,1]=4 73 B6R0.4 CC(C)CCNN AC3937 [0,1,1,0,0,0|2,0,0]=4 74 B6R0.4 CC(C)OCCS AT13760 [0,1,1,0,0,0|2,0,0]=4 75 B6R0.4 CCNCC(=O)O T72729 [0,1,1,0,0,0|1,0,1]=4 76 B6R0.4 CCNC[C@H](C)O 91070 [0,1,1,0,0,0|1,0,0]=3 77 B6R0.4 CN(C)CCNN W16036 [0,1,1,0,0,0|1,0,0]=3 78 B6R0.4 CNCCC(N)=O C78256 [0,1,1,0,0,0|2,0,0]=4 79 B6R0.4 C[C@H](N)CCCO AT20758 [0,1,1,0,0,0|2,0,0]=4 80 B6R0.4 C[C@H](O)CCCBr A11305 [0,1,1,0,0,0|2,0,0]=4 81 B6R0.4 C[C@H](O)CCCN AT20756 [0,1,1,0,0,0|1,0,0]=3 82 B6R0.4 NCCOC(F)F 89964 [0,1,1,0,0,0|2,0,0]=4 83 B6R0.4 [2H][C@H](Br)CCCC D99408 [0,1,1,0,0,0|2,0,0]=4 84 B6R0.6 C#CCCCCN D76652 [0,1,1,0,0,0|1,0,1]=4 85 B6R0.6 C#CCNCCO AT20718 [0,1,1,0,0,0|1,0,1]=4 86 B6R0.6 C#CCSCCN AT19952 [0,1,1,0,0,0|1,0,1]=4 87 B6R0.6 C=CCSCCN AT25545 [0,1,1,0,0,0|1,0,1]=4 88 B6R0.6 CCNCCSC AT25567 [0,1,1,0,0,0|1,0,0]=3 89 B6R0.6 CCOCCNN AC6859 [0,1,1,0,0,0|1,0,0]=3 90 B6R0.6 CCOCCON AT14482 [0,1,1,0,0,0|1,0,0]=3 91 B6R0.6 CNCCCC#N AB10346 [0,1,1,0,0,0|1,0,1]=4 92 B6R0.6 CNCCCOC F15969 [0,1,1,0,0,0|1,0,0]=3 93 B6R0.6 COCCCCN C77605 [0,1,1,0,0,0|1,0,0]=3 94 B6R0.6 COCCCON AT14486 [0,1,1,0,0,0|2,0,0]=4 95 B6R0.6 ClCCNCCCl AB10357 [0,1,1,0,0,0|1,0,0]=3 96 B6R0.6 N#CCCCCN AC2033 [0,1,1,0,0,0|1,0,1]=4 97 B6R0.6 NCCOCCF AT12496 [0,1,1,0,0,0|1,0,0]=3 98 B6R0.6 NCCSCCO AT25550 [0,1,1,0,0,0|1,0,0]=3 99 B6R0.6 OCCNCCO AB10274 [0,1,1,0,0,0|1,0,0]=3 100 B6R0.6 OCCOCCI C77657 [0,1,1,0,0,0|2,0,0]=4 101 B6R0.6 [2H]OCCCCC D99155 [0,1,1,0,0,0|2,0,0]=4 102 B6R1.2 C[C@H]1CCNC1 71655 [0,1,0,0,1,0|0,0,0]=2 103 B6R1.2 FC1CCCC1 T71800 [0,1,0,0,1,0|1,0,0]=3 104 B6R1.2 F[C@H]1CCNC1 FD10498 [0,1,0,0,1,0|0,0,0]=2 105 B6R1.2 N=C1NCCN1 AT25110 [0,1,0,0,1,0|0,0,1]=3 106 B6R1.2 O=C1CCON1 A11072 [0,1,0,0,1,0|1,0,1]=4 107 B6R1.2 O=C1CNCN1 C15062 [0,1,0,0,1,0|0,0,1]=3 108 B6R1.2 O[C@H]1CNOC1 AT14847 [0,1,0,0,1,0|1,0,0]=3 109 B8R1.22 CN1COCCOC1 F12615 [0,1,0,0,0,1|2,0,0]=4 110 B8R1.22 C[C@H]1CCCCCN1 AT22104 [0,1,0,0,0,1|1,0,0]=3 111 B8R1.22 C[C@H]1CCNCCN1 AT20047 [0,1,0,0,0,1|0,0,0]=2 112 B8R1.22 C[C@H]1CCNCCN1 AT20048 [0,1,0,0,0,1|0,0,0]=2 113 B8R1.22 C[C@H]1CCNCCN1 AT20119 [0,1,0,0,0,1|0,0,0]=2 114 B8R1.22 C[C@H]1CNCCCN1 70846 [0,1,0,0,0,1|0,0,0]=2 115 B8R1.22 C[C@H]1CNCCCN1 AT20050 [0,1,0,0,0,1|0,0,0]=2 116 B8R1.22 C[C@H]1COCCCN1 AT11435 [0,1,0,0,0,1|1,0,0]=3 117 B8R1.22 FC1CNCCNC1 90916 [0,1,0,0,0,1|0,0,0]=2 118 B8R1.22 F[C@H]1CCCNCC1 72531 [0,1,0,0,0,1|1,0,0]=3 119 B8R1.22 I[C@H]1CCCOCC1 55131 [0,1,0,0,0,1|2,0,0]=4 120 B8R1.22 N[C@H]1CCCCNC1 F13105 [0,1,0,0,0,1|1,0,0]=3 121 B8R1.22 O[C@H]1CCCCNC1 73004 [0,1,0,0,0,1|1,0,0]=3 122 B8R1.22 O[C@H]1CCCOCC1 55130 [0,1,0,0,0,1|2,0,0]=4 123 B8R1.22 O[C@H]1CNCCOC1 F13213 [0,1,0,0,0,1|1,0,0]=3 124 B8R1.2 BrCC1CCNCC1 30601 [0,2,0,0,0,0|1,0,0]=3 125 B8R1.2 CC[C@H]1CCCCN1 N11156 [0,2,0,0,0,0|1,0,0]=3 126 B8R1.2 CC[C@H]1CNCCO1 D75750 [0,2,0,0,0,0|1,0,0]=3 127 B8R1.2 CC[C@H]1COCCN1 F19074 [0,2,0,0,0,0|1,0,0]=3 128 B8R1.2 CNC1CCCCC1 S12279 [0,2,0,0,0,0|2,0,0]=4 129 B8R1.2 CNC1CCNCC1 63132 [0,2,0,0,0,0|1,0,0]=3 130 B8R1.2 CNC1CCSCC1 AT10410 [0,2,0,0,0,0|2,0,0]=4 131 B8R1.2 CSC1CCNCC1 32247 [0,2,0,0,0,0|1,0,0]=3 132 B8R1.2 CSC1CCNCC1 P10626 [0,2,0,0,0,0|1,0,0]=3 133 B8R1.2 ClCN1CCOCC1 C11093 [0,2,0,0,0,0|1,0,0]=3 134 B8R1.2 ClC[C@H]1CNCCO1 F13328 [0,2,0,0,0,0|1,0,0]=3 135 B8R1.2 ICC1CCNCC1 AC3914 [0,2,0,0,0,0|1,0,0]=3 136 B8R1.2 N#CN1CCNCC1 F19905 [0,2,0,0,0,0|0,0,0]=2 137 B8R1.2 N#C[C@@H]1CNCCN1 C14364 [0,2,0,0,0,0|0,0,0]=2 138 B8R1.2 N#C[C@@H]1CNCCN1 C15176 [0,2,0,0,0,0|0,0,0]=2 139 B8R1.2 N#C[C@@H]1CNCCO1 F18992 [0,2,0,0,0,0|1,0,0]=3 140 B8R1.2 N#C[C@@H]1CNCCO1 F19038 [0,2,0,0,0,0|1,0,0]=3 141 B8R1.2 N#C[C@H]1CCCOC1 94853 [0,2,0,0,0,0|2,0,0]=4 142 B8R1.2 NN[C@H]1CCCOC1 C93323 [0,2,0,0,0,0|2,0,0]=4 143 B8R1.2 NOC1CCOCC1 97662 [0,2,0,0,0,0|2,0,0]=4 144 B8R1.2 NO[C@H]1CCCOC1 97661 [0,2,0,0,0,0|2,0,0]=4 145 B8R1.2 O=CC1CCNCC1 62056 [0,2,0,0,0,0|1,0,0]=3 146 B8R1.2 OC[C@H]1CNCCN1 I11797 [0,2,0,0,0,0|0,0,0]=2 147 B8R1.2 OC[C@H]1COCCO1 D82528 [0,2,0,0,0,0|2,0,0]=4 148 B8R1.2 SCC1CCOCC1 P16932 [0,2,0,0,0,0|2,0,0]=4 149 B8R1.3 C=C1CCC(=O)CC1 57377 [0,2,0,0,0,0|2,0,0]=4 150 B8R1.3 CC1CCN(N)CC1 F13743 [0,2,0,0,0,0|1,0,0]=3 151 B8R1.3 CC1CNC(C)CN1 AC2834 [0,2,0,0,0,0|0,0,0]=2 152 B8R1.3 CC1CNC(C)CN1 AT23784 [0,2,0,0,0,0|0,0,0]=2 153 B8R1.3 CC1COC(C)CN1 F12415 [0,2,0,0,0,0|1,0,0]=3 154 B8R1.3 CN1CCC(Br)CC1 AC6332 [0,2,0,0,0,0|1,0,0]=3 155 B8R1.3 CN1CCC(I)CC1 D97152 [0,2,0,0,0,0|1,0,0]=3 156 B8R1.3 CN1CCC(S)CC1 AT13364 [0,2,0,0,0,0|1,0,0]=3 157 B8R1.3 C[C@H]1CC[C@@H](N)CC1 N13044 [0,2,0,0,0,0|2,0,0]=4 158 B8R1.3 C[C@H]1CC[C@H](C)NC1 29624 [0,2,0,0,0,0|1,0,0]=3 159 B8R1.3 C[C@H]1CNC(=O)CO1 AT13719 [0,2,0,0,0,0|1,0,1]=4 160 B8R1.3 C[C@H]1CNC(=O)CO1 AT13722 [0,2,0,0,0,0|1,0,1]=4 161 B8R1.3 C[C@H]1CN[C@H](C)CO1 S11084 [0,2,0,0,0,0|1,0,0]=3 162 B8R1.3 N[C@H]1CCC(=O)NC1 70845 [0,2,0,0,0,0|1,0,1]=4 163 B8R1.3 O=C1CCC(Br)CC1 C77503 [0,2,0,0,0,0|2,0,0]=4 164 B8R1.3 OC1CCC(Br)CC1 P19527 [0,2,0,0,0,0|2,0,0]=4 165 B8R1.4 CC1CCNC(C)C1 D87679 [0,2,0,0,0,0|1,0,0]=3 166 B8R1.4 CC1CNCC(C)S1 AT10825 [0,2,0,0,0,0|1,0,0]=3 167 B8R1.4 CC1CNC[C@H](C)O1 F18928 [0,2,0,0,0,0|1,0,0]=3 168 B8R1.4 CC1COC[C@H](C)N1 F18864 [0,2,0,0,0,0|1,0,0]=3 169 B8R1.4 CC1COC[C@H](C)N1 F18890 [0,2,0,0,0,0|1,0,0]=3 170 B8R1.4 CC1COC[C@H](C)N1 F18927 [0,2,0,0,0,0|1,0,0]=3 171 B8R1.4 CC1COC[C@H](C)N1 F18931 [0,2,0,0,0,0|1,0,0]=3 172 B8R1.4 CC1CSCC(C)N1 AT10826 [0,2,0,0,0,0|1,0,0]=3 173 B8R1.4 CN1CCC=C(Br)C1 S11379 [0,2,0,0,0,0|1,0,1]=4 174 B8R1.4 CN1CCCC(=O)C1 C14007 [0,2,0,0,0,0|1,0,1]=4 175 B8R1.4 CN1CCC[C@H](N)C1 F13063 [0,2,0,0,0,0|1,0,0]=3 176 B8R1.4 CN1CCC[C@H](O)C1 AC6069 [0,2,0,0,0,0|1,0,0]=3 177 B8R1.4 C[C@@H]1C[C@@H](N)CCO1 D79034 [0,2,0,0,0,0|2,0,0]=4 178 B8R1.4 C[C@H]1CC(=O)CCN1 W10112 [0,2,0,0,0,0|1,0,0]=3 179 B8R1.4 C[C@H]1CCCC(=O)C1 90784 [0,2,0,0,0,0|2,0,0]=4 180 B8R1.4 C[C@H]1CCCC(=O)N1 90463 [0,2,0,0,0,0|1,0,1]=4 181 B8R1.4 C[C@H]1CCC[C@H](C)N1 P21143 [0,2,0,0,0,0|1,0,0]=3 182 B8R1.4 C[C@H]1CN(C)CCN1 C14012 [0,2,0,0,0,0|0,0,0]=2 183 B8R1.4 C[C@H]1CN(C)CCN1 F12388 [0,2,0,0,0,0|0,0,0]=2 184 B8R1.4 C[C@H]1CN(C)CCN1 P11099 [0,2,0,0,0,0|0,0,0]=2 185 B8R1.4 C[C@H]1CN(C)CCN1 S10064 [0,2,0,0,0,0|0,0,0]=2 186 B8R1.4 C[C@H]1CNCC(=O)N1 P13905 [0,2,0,0,0,0|0,0,1]=3 187 B8R1.4 C[C@H]1CNC[C@@H](C)O1 F18871 [0,2,0,0,0,0|1,0,0]=3 188 B8R1.4 C[C@H]1CNC[C@@H](O)C1 AT13824 [0,2,0,0,0,0|1,0,0]=3 189 B8R1.4 C[C@H]1CNC[C@H](C)N1 38269 [0,2,0,0,0,0|0,0,0]=2 190 B8R1.4 C[C@H]1CNC[C@H](C)N1 P18598 [0,2,0,0,0,0|0,0,0]=2 191 B8R1.4 C[C@H]1CNC[C@H](C)O1 F18885 [0,2,0,0,0,0|1,0,0]=3 192 B8R1.4 C[C@H]1COC[C@@H](C)N1 70215 [0,2,0,0,0,0|1,0,0]=3 193 B8R1.4 C[C@H]1COC[C@@H](C)N1 S12171 [0,2,0,0,0,0|1,0,0]=3 194 B8R1.4 C[C@H]1C[C@@H](O)CCN1 P12569 [0,2,0,0,0,0|1,0,0]=3 195 B8R1.4 NC1COCC(O)C1 W16026 [0,2,0,0,0,0|2,0,0]=4 196 B8R1.4 N[C@H]1CCC[C@H](O)C1 F11499 [0,2,0,0,0,0|2,0,0]=4 197 B8R1.4 N[C@H]1CCC[C@H](O)C1 P19975 [0,2,0,0,0,0|2,0,0]=4 198 B8R1.4 O=C1CCC[C@H](O)C1 P16037 [0,2,0,0,0,0|2,0,0]=4 199 B8R1.4 O=C1C[C@@H](F)CCN1 P19310 [0,2,0,0,0,0|1,0,1]=4 200 B8R1.4 O[C@@H]1CNC[C@@H](O)C1 AT24349 [0,2,0,0,0,0|1,0,0]=3 201 B8R1.5 CC1CCNCC1O 38881 [0,2,0,0,0,0|1,0,0]=3 202 B8R1.5 CC1COCCC1N F13602 [0,2,0,0,0,0|2,0,0]=4 203 B8R1.5 CC1NCCCC1O W19147 [0,2,0,0,0,0|1,0,0]=3 204 B8R1.5 CC1NCCSC1C AT25273 [0,2,0,0,0,0|1,0,0]=3 205 B8R1.5 CN1CCCCC1=O C16744 [0,2,0,0,0,0|1,0,1]=4 206 B8R1.5 CN1CCSCC1=O AT12016 [0,2,0,0,0,0|1,0,1]=4 207 B8R1.5 C[C@@H]1CCNC[C@@H]1O 38884 [0,2,0,0,0,0|1,0,0]=3 208 B8R1.5 C[C@@H]1CNCC[C@@H]1O A11539 [0,2,0,0,0,0|1,0,0]=3 209 B8R1.5 C[C@@H]1NCCN[C@H]1C AT24345 [0,2,0,0,0,0|0,0,0]=2 210 B8R1.5 C[C@H]1CCNCC1=O P13522 [0,2,0,0,0,0|1,0,1]=4 211 B8R1.5 C[C@H]1CCNC[C@@H]1O P12384 [0,2,0,0,0,0|1,0,0]=3 212 B8R1.5 C[C@H]1CCNC[C@@H]1O W19323 [0,2,0,0,0,0|1,0,0]=3 213 B8R1.5 NC1CCCCC1O F13372 [0,2,0,0,0,0|2,0,0]=4 214 B8R1.5 NC1CCOCC1O AT20154 [0,2,0,0,0,0|2,0,0]=4 215 B8R1.5 N[C@@H]1CCCC[C@@H]1F AT23366 [0,2,0,0,0,0|2,0,0]=4 216 B8R1.5 N[C@@H]1CCCC[C@@H]1O F53834 [0,2,0,0,0,0|2,0,0]=4 217 B8R1.5 N[C@H]1CCCNC1=O 51548 [0,2,0,0,0,0|1,0,1]=4 218 B8R1.5 N[C@H]1CCNC[C@@H]1O D76889 [0,2,0,0,0,0|1,0,0]=3 219 B8R1.5 N[C@H]1CCOC[C@@H]1O AT20174 [0,2,0,0,0,0|2,0,0]=4 220 B8R1.5 N[C@H]1CCOC[C@@H]1O P19349 [0,2,0,0,0,0|2,0,0]=4 221 B8R1.5 O=C1CCNC[C@@H]1Br F13559 [0,2,0,0,0,0|1,0,0]=3 222 B8R1.5 O=C1CCNC[C@@H]1Br F13560 [0,2,0,0,0,0|1,0,0]=3 223 B8R1.5 O=C1CCNC[C@@H]1F P11685 [0,2,0,0,0,0|1,0,0]=3 224 B8R1.5 O=C1NCCNC1=O AT12017 [0,2,0,0,0,0|0,0,2]=4 225 B8R1.5 O[C@H]1CNCC[C@H]1O 37852 [0,2,0,0,0,0|1,0,0]=3 226 B8R1.72 CC1(C)CCCCN1 AT24213 [0,2,0,0,0,0|1,0,0]=3 227 B8R1.72 CC1(C)CCCNC1 F30179 [0,2,0,0,0,0|1,0,0]=3 228 B8R1.72 CC1(C)COCCN1 S10178 [0,2,0,0,0,0|1,0,0]=3 229 B8R1.72 CC1(N)CCCCC1 W10115 [0,2,0,0,0,0|2,0,0]=4 230 B8R1.72 CC1(N)CCNCC1 D75159 [0,2,0,0,0,0|1,0,0]=3 231 B8R1.72 FC1(F)CCCNC1 W16714 [0,2,0,0,0,0|1,0,0]=3 232 B8R1.72 N=S1(=O)CCCCC1 AT11345 [0,2,0,0,0,0|2,0,0]=4 233 B8R1.72 N=S1(=O)CCNCC1 AT25289 [0,2,0,0,0,0|1,0,0]=3 234 B8R1.72 N=S1(=O)CCOCC1 AT25738 [0,2,0,0,0,0|2,0,0]=4 235 B8R1.72 O=S1(=O)COCCN1 P10864 [0,2,0,0,0,0|2,0,0]=4 236 B6R1.4 CC1CCC1N W15200 [0,0,1,1,0,0|1,0,0]=3 237 B6R1.4 CC1NCC1O P13360 [0,0,1,1,0,0|1,0,0]=3 238 B6R1.4 CC1OCC1N P20429 [0,0,1,1,0,0|1,0,0]=3 239 B6R1.4 C[C@H]1NC[C@@H]1O AT24512 [0,0,1,1,0,0|1,0,0]=3 240 B6R1.4 N[C@H]1CC[C@@H]1O AT10977 [0,0,1,1,0,0|2,0,0]=4 241 B6R1.6 CNC1COC1 F51705 [0,0,1,1,0,0|1,0,0]=3 242 B6R1.6 ClC[C@H]1CCO1 32069 [0,0,1,1,0,0|2,0,0]=4 243 B6R1.6 N#C[C@@H]1CCN1 P14909 [0,0,1,1,0,0|0,0,2]=4 244 B6R1.6 NOC1CCC1 97653 [0,0,1,1,0,0|2,0,0]=4 245 B6R1.8 CC1CC1CBr P20770 [0,0,1,1,0,0|2,0,0]=4 246 B6R1.8 CC[C@H]1C[C@@H]1N AT11453 [0,0,1,1,0,0|1,0,0]=3 247 B6R1.8 CC[C@H]1C[C@@H]1N AT11457 [0,0,1,1,0,0|1,0,0]=3 248 B6R1.8 C[C@@H]1C[C@@H]1CBr 55223 [0,0,1,1,0,0|2,0,0]=4 249 B8R2.2 CC12CCCC1O2 AT16552 [0,1,0,1,0,0|2,0,0]=4 250 B8R2.2 C[C@]12CCCC1O2 F50046 [0,1,0,1,0,0|2,0,0]=4 251 B8R2.34 C1=CC2CC1CN2 F13786 [0,1,0,1,0,0|1,0,1]=4 252 B8R2.34 C1=C[C@@H]2CN[C@H]1C2 83547 [0,1,0,1,0,0|1,0,1]=4 253 B8R2.34 C1=C[C@@H]2CN[C@H]1C2 83549 [0,1,0,1,0,0|1,0,1]=4 254 B8R2.34 C1CC2CCC1O2 T72216 [0,1,0,1,0,0|2,0,0]=4 255 B8R2.34 C1CN2CCC1C2 F15254 [0,1,0,1,0,0|1,0,0]=3 256 B8R2.34 C1NC2CNC1C2 F18865 [0,1,0,1,0,0|0,0,0]=2 257 B8R2.34 C1N[C@@H]2CN[C@H]1C2 F12544 [0,1,0,1,0,0|0,0,0]=2 258 B8R2.34 C1N[C@@H]2CN[C@H]1C2 F19020 [0,1,0,1,0,0|0,0,0]=2 259 B8R2.34 C1O[C@@H]2CN[C@H]1C2 P12317 [0,1,0,1,0,0|1,0,0]=3 260 B8R2.38 O=C1CC[C@@H]2C[C@H]12 97893 [0,1,0,1,0,0|2,0,0]=4 261 B8R2.38 O=C1NC[C@@H]2C[C@H]12 H11212 [0,1,0,1,0,0|1,0,1]=4 262 B8R2.38 O[C@H]1CC[C@@H]2C[C@H]12 D74723 [0,1,0,1,0,0|2,0,0]=4 263 B8R1.49 C1CNCCCNC1 C90170 [0,0,0,0,0,2|0,0,0]=2