0 B8R1.3 C=C1CCC(=O)CC1 57377 [0,0,0,0,0,0|0,0,2]=2 1 B8R1.3 CC1CCN(N)CC1 F13743 [0,0,0,0,0,0|2,0,0]=2 2 B8R1.3 CC1CNC(C)CN1 AC2834 [0,0,0,0,0,0|3,0,1]=4 3 B8R1.3 CC1CNC(C)CN1 AT23784 [0,0,0,0,0,0|3,0,1]=4 4 B8R1.3 CC1COC(C)CN1 F12415 [0,0,0,0,0,0|3,0,1]=4 5 B8R1.3 CN1CCC(Br)CC1 AC6332 [0,0,0,0,0,0|2,0,1]=3 6 B8R1.3 CN1CCC(I)CC1 D97152 [0,0,0,0,0,0|2,0,1]=3 7 B8R1.3 CN1CCC(S)CC1 AT13364 [0,0,0,0,0,0|1,1,1]=3 8 B8R1.3 C[C@H]1CC[C@@H](N)CC1 N13044 [0,0,0,0,0,0|1,0,1]=2 9 B8R1.3 C[C@H]1CC[C@H](C)NC1 29624 [0,0,0,0,0,0|2,0,1]=3 10 B8R1.3 C[C@H]1CNC(=O)CO1 AT13719 [0,0,0,0,0,0|2,0,0]=2 11 B8R1.3 C[C@H]1CNC(=O)CO1 AT13722 [0,0,0,0,0,0|2,0,0]=2 12 B8R1.3 C[C@H]1CN[C@H](C)CO1 S11084 [0,0,0,0,0,0|3,0,1]=4 13 B8R1.3 N[C@H]1CCC(=O)NC1 70845 [0,0,0,0,0,0|2,0,0]=2 14 B8R1.3 O=C1CCC(=O)NN1 D87745 [0,0,0,0,0,0|3,0,1]=4 15 B8R1.3 O=C1CCC(Br)CC1 C77503 [0,0,0,0,0,0|1,0,0]=1 16 B8R1.3 O=C1COC(=O)CN1 P10244 [0,0,0,0,0,0|3,0,1]=4 17 B8R1.3 OC1CCC(Br)CC1 P19527 [0,0,0,0,0,0|1,0,2]=3 18 B7R1.3 BrC1=CCCNC1 D85784 [1,0,0,0,0,0|2,0,1]=4 19 B7R1.3 Br[C@H]1CCCNC1 C14028 [1,0,0,0,0,0|2,0,1]=4 20 B7R1.3 C=C1CCCNC1 W15931 [1,0,0,0,0,0|2,0,0]=3 21 B7R1.3 C=C1CCNCC1 33821 [1,0,0,0,0,0|2,0,0]=3 22 B7R1.3 CC1=CCOCC1 F17726 [1,0,0,0,0,0|1,0,2]=4 23 B7R1.3 C[C@H]1CCCCN1 N14212 [1,0,0,0,0,0|1,0,1]=3 24 B7R1.3 C[C@H]1CCCNC1 F14484 [1,0,0,0,0,0|1,0,1]=3 25 B7R1.3 C[C@H]1CNCCS1 AT10751 [1,0,0,0,0,0|2,0,1]=4 26 B7R1.3 C[C@H]1CNCCS1 AT25278 [1,0,0,0,0,0|2,0,1]=4 27 B7R1.3 C[C@H]1CSCCN1 AT10756 [1,0,0,0,0,0|2,0,1]=4 28 B7R1.3 C[C@H]1CSCCN1 AT10759 [1,0,0,0,0,0|2,0,1]=4 29 B7R1.3 ClC1=CCCCC1 FD10699 [1,0,0,0,0,0|1,0,1]=3 30 B7R1.3 NN1CCNCC1 I10257 [1,0,0,0,0,0|3,0,0]=4 31 B7R1.3 NN1CCNCC1 P19252 [1,0,0,0,0,0|3,0,0]=4 32 B7R1.3 N[C@@H]1CC=CCC1 AB8978 [1,0,0,0,0,0|1,0,1]=3 33 B7R1.3 N[C@H]1CCCOC1 F31015 [1,0,0,0,0,0|2,0,1]=4 34 B7R1.3 N[C@H]1CCCOC1 P11042 [1,0,0,0,0,0|2,0,1]=4 35 B7R1.3 O=S1CCOCC1 A51207 [1,0,0,0,0,0|2,0,0]=3 36 B7R1.3 S=C1CCCCC1 N16924 [1,0,0,0,0,0|0,1,0]=2 37 B9R1.1 CC1CCC(CBr)CC1 72498 [0,1,0,0,0,0|1,0,1]=3 38 B9R1.1 CC1CCC(CCl)CC1 AC2846 [0,1,0,0,0,0|1,0,1]=3 39 B9R1.1 CCN1CCC(N)CC1 75204 [0,1,0,0,0,0|2,0,1]=4 40 B9R1.1 CC[C@H]1CC[C@H](N)CC1 AT14260 [0,1,0,0,0,0|1,0,1]=3 41 B9R1.1 CC[C@H]1CNC(=O)CO1 90060 [0,1,0,0,0,0|2,0,0]=3 42 B9R1.1 CN1CCC(=NO)CC1 T72989 [0,1,0,0,0,0|1,0,1]=3 43 B9R1.1 CN1CCC(NN)CC1 C75403 [0,1,0,0,0,0|2,0,1]=4 44 B9R1.1 CN1CCC(ON)CC1 97663 [0,1,0,0,0,0|1,0,2]=4 45 B9R1.1 CNC1CCC(=O)CC1 AB9600 [0,1,0,0,0,0|0,0,0]=1 46 B9R1.1 CON1CCC(O)CC1 92074 [0,1,0,0,0,0|1,0,2]=4 47 B9R1.1 C[C@H]1CCC(CO)CN1 93005 [0,1,0,0,0,0|1,0,2]=4 48 B9R1.1 N#CC1CCC(N)CC1 F18888 [0,1,0,0,0,0|1,0,2]=4 49 B9R1.1 NCC1CCC(F)CC1 66265 [0,1,0,0,0,0|1,0,1]=3 50 B9R1.1 NCC1CCC(O)CC1 C77951 [0,1,0,0,0,0|0,0,2]=3 51 B9R1.1 NC[C@H]1CNC(=O)CO1 W10862 [0,1,0,0,0,0|2,0,0]=3 52 B9R1.1 O=C1CCC(CBr)CC1 C77512 [0,1,0,0,0,0|0,0,0]=1 53 B9R1.10 CC1(C)CCC(=O)NC1 55120 [0,1,0,0,0,0|1,0,0]=2 54 B9R1.10 C[C@]1(O)CCC(=O)NC1 N10620 [0,1,0,0,0,0|1,0,0]=2 55 B9R1.10 C[Si]1(C)CCN(N)CC1 P14798 [0,1,0,0,0,0|2,1,0]=4 56 B9R1.10 NN1CCS(=O)(=O)CC1 AT25286 [0,1,0,0,0,0|3,0,0]=4 57 B9R1.10 O=S1(=O)CCN(O)CC1 D75216 [0,1,0,0,0,0|3,0,0]=4 58 B9R1.69 CC1=NN(C)C(=O)CC1 N16893 [0,1,0,0,0,0|2,0,1]=4 59 B9R1.69 CC1CC(N)CCN1C P11329 [0,1,0,0,0,0|2,0,1]=4 60 B9R1.69 C[C@@H]1SCC(=O)NC1=O AT25440 [0,1,0,0,0,0|2,0,1]=4 61 B9R1.69 C[C@H]1CN(C)C(=O)CN1 F19683 [0,1,0,0,0,0|2,0,0]=3 62 B9R1.69 C[C@H]1CN(C)C(=O)CN1 P10819 [0,1,0,0,0,0|2,0,0]=3 63 B9R1.69 C[C@H]1CNC(=O)CC1=O 27246 [0,1,0,0,0,0|1,0,1]=3 64 B9R1.69 N[C@H]1CCC(=O)NC1=O AC9237 [0,1,0,0,0,0|2,0,1]=4 65 B9R1.69 O=C1C[C@@H](O)[C@@H](O)CN1 81439 [0,1,0,0,0,0|2,0,0]=3 66 B7R0.3 CCC(=O)OCOC D72002 [0,0,1,0,0,0|2,0,0]=3 67 B7R0.3 CCCC[C@H](N)CO D75114 [0,0,1,0,0,0|2,0,1]=4 68 B7R0.3 CCCC[C@H](N)CO H10583 [0,0,1,0,0,0|2,0,1]=4 69 B7R0.3 CCCNC(=O)CN C78397 [0,0,1,0,0,0|2,0,0]=3 70 B7R0.3 CCONC(=O)CN AT14835 [0,0,1,0,0,0|3,0,0]=4 71 B7R0.3 CC[C@H](O)CCC#N F51112 [0,0,1,0,0,0|2,0,1]=4 72 B7R0.3 CNC(=O)NCCO AT23083 [0,0,1,0,0,0|3,0,0]=4 73 B7R0.3 CNC(=O)OCCO AT13707 [0,0,1,0,0,0|3,0,0]=4 74 B7R0.3 CNOCC(=O)OC AT14517 [0,0,1,0,0,0|3,0,0]=4 75 B7R0.3 COC(=N)CCCCl C76486 [0,0,1,0,0,0|3,0,0]=4 76 B7R0.3 COC(=O)CCCN 32601 [0,0,1,0,0,0|2,0,0]=3 77 B7R0.3 COC(=O)NCCN AT13709 [0,0,1,0,0,0|3,0,0]=4 78 B7R0.3 C\C=C\C[C@@H](C)CC T72110 [0,0,1,0,0,0|1,0,1]=3 79 B7R0.6 CC(=O)NN=C(C)C C12737 [0,0,1,0,0,0|2,0,1]=4 80 B7R0.6 CC(C)CC[C@H](C)N C11213 [0,0,1,0,0,0|1,0,1]=3 81 B7R0.6 CC(C)OC[C@H](C)O T72421 [0,0,1,0,0,0|1,0,2]=4 82 B7R0.6 C[S+](C)CCC(=O)[O-] F16477 [0,0,1,0,0,0|2,0,0]=3 83 B9R2.49 C1CC2CCC1CN2 P11101 [0,0,0,1,0,0|1,0,1]=3 84 B9R2.49 C1CN2CCN1CC2 T70961 [0,0,0,1,0,0|3,0,0]=4 85 B9R2.49 C1CN2CCN1CC2 T71045 [0,0,0,1,0,0|3,0,0]=4 86 B7R1.2 CC1=N[C@@H](C)CS1 C92282 [0,0,0,0,1,0|3,0,0]=4 87 B7R1.2 CC1CC(O)CN1 AT24888 [0,0,0,0,1,0|1,0,2]=4 88 B7R1.2 CC1CNC(C)C1 83923 [0,0,0,0,1,0|2,0,1]=4 89 B7R1.2 CN1CCC(=O)C1 64219 [0,0,0,0,1,0|1,0,0]=2 90 B7R1.2 CN1CC[C@H](N)C1 56133 [0,0,0,0,1,0|2,0,1]=4 91 B7R1.2 CN1CC[C@H](N)C1 AT11189 [0,0,0,0,1,0|2,0,1]=4 92 B7R1.2 C[C@@H]1CNC(=O)C1 P15842 [0,0,0,0,1,0|1,0,0]=2 93 B7R1.2 C[C@@H]1COC(=O)C1 AT23255 [0,0,0,0,1,0|1,0,0]=2 94 B7R1.2 C[C@@H]1C[C@H](F)CN1 73102 [0,0,0,0,1,0|2,0,1]=4 95 B7R1.2 C[C@H]1CC[C@@H](C)C1 T70658 [0,0,0,0,1,0|1,0,1]=3 96 B7R1.2 C[C@H]1CN=C(N)N1 AT25109 [0,0,0,0,1,0|3,0,0]=4 97 B7R1.2 C[C@H]1CNC(=O)O1 C13778 [0,0,0,0,1,0|2,0,0]=3 98 B7R1.2 C[C@H]1COC(=O)N1 C77658 [0,0,0,0,1,0|2,0,0]=3 99 B7R1.2 C[C@H]1NCC(=O)N1 F31285 [0,0,0,0,1,0|2,0,0]=3 100 B7R1.2 C[C@H]1NCC(=O)N1 F31286 [0,0,0,0,1,0|2,0,0]=3 101 B7R1.2 N[C@H]1CCC(=O)C1 C14417 [0,0,0,0,1,0|1,0,0]=2 102 B7R1.2 N[C@H]1CC[C@H](F)C1 C93268 [0,0,0,0,1,0|2,0,1]=4 103 B7R1.2 N[C@H]1CC[C@H](F)C1 C93270 [0,0,0,0,1,0|2,0,1]=4 104 B7R1.2 O=C1C=C[C@@H](O)C1 86326 [0,0,0,0,1,0|1,0,2]=4 105 B7R1.2 O=C1CCC(=S)N1 N13285 [0,0,0,0,1,0|2,0,1]=4 106 B7R1.2 O=C1CC[C@H](F)C1 P11910 [0,0,0,0,1,0|1,0,0]=2 107 B7R1.2 O=C1CN[C@@H](S)S1 T72832 [0,0,0,0,1,0|3,0,0]=4 108 B7R1.2 O=C1C[C@H](S)CN1 39278 [0,0,0,0,1,0|2,0,0]=3 109 B9R1.49 O=C1CCNC(=O)CC1 C91705 [0,0,0,0,0,1|1,0,1]=3 110 B9R1.49 OC1CCC(O)CSC1 F51867 [0,0,0,0,0,1|1,0,2]=4 111 B6R0.1 CCC[C@H](C)CBr S11885 [1,0,1,0,0,0|1,0,1]=4 112 B6R0.1 CCNC(=O)OC C16084 [1,0,1,0,0,0|2,0,0]=4 113 B6R0.1 CC[C@H](N)CCO AT22371 [1,0,1,0,0,0|1,0,1]=4 114 B6R0.1 COCC(=O)CCl D85993 [1,0,1,0,0,0|2,0,0]=4 115 B6R0.1 COCC(=O)OC F53343 [1,0,1,0,0,0|2,0,0]=4 116 B6R0.1 C[C@H](CN)CCO AT20757 [1,0,1,0,0,0|1,0,1]=4 117 B6R0.1 C[C@H](CO)CCO 96740 [1,0,1,0,0,0|1,0,1]=4 118 B6R0.4 C=C(C)CCCO 71061 [1,0,1,0,0,0|2,0,0]=4 119 B6R0.4 CC(C)CCNN AC3937 [1,0,1,0,0,0|2,0,0]=4 120 B6R0.4 CCNCC(=O)O T72729 [1,0,1,0,0,0|2,0,0]=4 121 B6R0.4 CCONC(C)=O AT24904 [1,0,1,0,0,0|2,0,0]=4 122 B6R0.4 CNCCC(N)=O C78256 [1,0,1,0,0,0|2,0,0]=4 123 B6R0.4 COCOC(C)=O D72003 [1,0,1,0,0,0|2,0,0]=4 124 B6R0.4 NC(=O)CCCO AT20755 [1,0,1,0,0,0|2,0,0]=4 125 B6R0.4 NCCCC(=O)O T70552 [1,0,1,0,0,0|2,0,0]=4 126 B6R0.4 NCCCC(N)=O AC5898 [1,0,1,0,0,0|2,0,0]=4 127 B6R0.6 CCNCCSC AT25567 [1,0,1,0,0,0|2,0,0]=4 128 B6R0.6 C\C=C/CCCCl T71143 [1,0,1,0,0,0|1,0,1]=4 129 B6R0.6 O=CNCCCO AC9004 [1,0,1,0,0,0|2,0,0]=4 130 B6R0.6 [2H]OCCCCC D99155 [1,0,1,0,0,0|2,0,0]=4 131 B6R1.1 C1CCNCC1 S11730 [2,0,0,0,0,0|1,0,0]=3 132 B6R1.1 C1CCONC1 P10408 [2,0,0,0,0,0|2,0,0]=4 133 B6R1.1 C1CNCOC1 C72764 [2,0,0,0,0,0|2,0,0]=4 134 B8R0.1 CCCC[C@H](N)CCO D73273 [0,1,1,0,0,0|1,0,1]=4 135 B8R0.1 CCNC(=O)NCCO AT23087 [0,1,1,0,0,0|2,0,0]=4 136 B8R0.1 CCOC(=O)NCCN AT13715 [0,1,1,0,0,0|2,0,0]=4 137 B8R0.3 CCCC(C)C(C)CC T71461 [0,1,1,0,0,0|1,0,1]=4 138 B8R0.3 CCC[C@H](N)C(=O)OC F20626 [0,1,1,0,0,0|1,0,0]=3 139 B8R0.3 COC[C@H](O)C(=O)OC AT24811 [0,1,1,0,0,0|2,0,0]=4 140 B8R0.6 CC[C@H](C)CCCCO T72651 [0,1,1,0,0,0|0,0,2]=4 141 B8R0.6 CNC(=O)OCCCN AT13711 [0,1,1,0,0,0|2,0,0]=4 142 B8R0.6 COC(=O)NCCCN AT13710 [0,1,1,0,0,0|2,0,0]=4 143 B8R0.8 CC(C)C(=O)CCC#N F51230 [0,1,1,0,0,0|1,0,1]=4 144 B8R0.8 CCCCC(=O)[C@H](C)N D78735 [0,1,1,0,0,0|0,0,0]=2 145 B8R0.8 CCCC[C@H](C)C(C)C T70746 [0,1,1,0,0,0|1,0,1]=4 146 B8R0.9 CC(C)CNC(=O)CN F21149 [0,1,1,0,0,0|2,0,0]=4 147 B8R0.9 CCC(C)CCC(C)N C14677 [0,1,1,0,0,0|1,0,1]=4 148 B8R0.19 CCC(C)CC(N)CO AT16871 [0,1,1,0,0,0|0,0,2]=4 149 B8R0.19 CC[C@H](N)CC(=O)OC F16995 [0,1,1,0,0,0|1,0,0]=3 150 B8R0.19 CC[C@H](O)CC(=O)OC C15994 [0,1,1,0,0,0|1,0,0]=3 151 B8R0.25 C=CCCC(C)(C)CO 77893 [0,1,1,0,0,0|2,0,0]=4 152 B8R0.23 CC(C)O[C@@H](C)C(=O)O AT22894 [0,1,1,0,0,0|2,0,0]=4 153 B8R0.23 CC(C)[C@@H](N)CN(C)C C78255 [0,1,1,0,0,0|2,0,0]=4 154 B8R0.23 CC(C)[C@@H](N)CN(C)C C78460 [0,1,1,0,0,0|2,0,0]=4 155 B8R0.23 CC(C)[C@@H](N)CN(C)C C78501 [0,1,1,0,0,0|2,0,0]=4 156 B8R0.23 CC(C)[C@@H](O)C[N+](=O)[O-] V10283 [0,1,1,0,0,0|2,0,0]=4 157 B8R0.23 CN(C)C[C@H](N)C(=O)O 51291 [0,1,1,0,0,0|2,0,0]=4 158 B8R0.23 CN(C)C[C@H](N)C(=O)O D75181 [0,1,1,0,0,0|2,0,0]=4 159 B8R0.23 C[C@H](O)[C@@H](N)CC(=O)O AC8171 [0,1,1,0,0,0|2,0,0]=4 160 B8R0.29 CC(=O)CSC(C)(C)C F17486 [0,1,1,0,0,0|1,0,0]=3 161 B8R0.29 CC(C)(C)SCC(=O)O AT13960 [0,1,1,0,0,0|2,0,0]=4 162 B8R0.29 CC(C)CCC(C)(C)C T72348 [0,1,1,0,0,0|1,0,1]=4 163 B8R0.29 CN(C)CCC(C)(C)N Y10201 [0,1,1,0,0,0|2,0,0]=4 164 B8R0.29 CP(C)(=O)CCC(=O)O AT13420 [0,1,1,0,0,0|2,0,0]=4 165 B8R1.2 BrCC1CCNCC1 30601 [1,1,0,0,0,0|1,0,0]=3 166 B8R1.2 CC[C@H]1CCCCN1 N11156 [1,1,0,0,0,0|1,0,1]=4 167 B8R1.2 CNC1CCCCC1 S12279 [1,1,0,0,0,0|0,0,1]=3 168 B8R1.2 CNC1CCNCC1 63132 [1,1,0,0,0,0|1,0,0]=3 169 B8R1.2 CNC1CCSCC1 AT10410 [1,1,0,0,0,0|1,0,0]=3 170 B8R1.2 CSC1CCNCC1 32247 [1,1,0,0,0,0|1,0,0]=3 171 B8R1.2 CSC1CCNCC1 P10626 [1,1,0,0,0,0|1,0,0]=3 172 B8R1.2 ClCN1CCOCC1 C11093 [1,1,0,0,0,0|2,0,0]=4 173 B8R1.2 ICC1CCNCC1 AC3914 [1,1,0,0,0,0|1,0,0]=3 174 B8R1.2 NC[C@@H]1CC=CCC1 C78101 [1,1,0,0,0,0|0,0,1]=3 175 B8R1.2 NC[C@H]1CCC=CO1 P10036 [1,1,0,0,0,0|1,0,1]=4 176 B8R1.2 NOC1CCOCC1 97662 [1,1,0,0,0,0|2,0,0]=4 177 B8R1.2 O=CC1CCNCC1 62056 [1,1,0,0,0,0|1,0,1]=4 178 B8R1.2 SCC1CCOCC1 P16932 [1,1,0,0,0,0|1,0,0]=3 179 B8R1.4 CC1CCNC(C)C1 D87679 [1,1,0,0,0,0|1,0,0]=3 180 B8R1.4 CN1CCC=C(Br)C1 S11379 [1,1,0,0,0,0|1,0,1]=4 181 B8R1.4 CN1CCCC(=O)C1 C14007 [1,1,0,0,0,0|1,0,0]=3 182 B8R1.4 CN1CCC[C@H](N)C1 F13063 [1,1,0,0,0,0|1,0,1]=4 183 B8R1.4 CN1CCC[C@H](O)C1 AC6069 [1,1,0,0,0,0|1,0,1]=4 184 B8R1.4 C[C@@H]1C[C@@H](N)CCO1 D79034 [1,1,0,0,0,0|1,0,1]=4 185 B8R1.4 C[C@H]1CC(=O)CCN1 W10112 [1,1,0,0,0,0|1,0,0]=3 186 B8R1.4 C[C@H]1CCCC(=O)C1 90784 [1,1,0,0,0,0|0,0,0]=2 187 B8R1.4 C[C@H]1CCCC(=O)N1 90463 [1,1,0,0,0,0|1,0,0]=3 188 B8R1.4 C[C@H]1CCC[C@H](C)N1 P21143 [1,1,0,0,0,0|1,0,1]=4 189 B8R1.4 C[C@H]1CN(C)CCN1 C14012 [1,1,0,0,0,0|2,0,0]=4 190 B8R1.4 C[C@H]1CN(C)CCN1 F12388 [1,1,0,0,0,0|2,0,0]=4 191 B8R1.4 C[C@H]1CN(C)CCN1 P11099 [1,1,0,0,0,0|2,0,0]=4 192 B8R1.4 C[C@H]1CN(C)CCN1 S10064 [1,1,0,0,0,0|2,0,0]=4 193 B8R1.4 C[C@H]1CNCC(=O)N1 P13905 [1,1,0,0,0,0|2,0,0]=4 194 B8R1.4 C[C@H]1CNC[C@@H](O)C1 AT13824 [1,1,0,0,0,0|1,0,1]=4 195 B8R1.4 C[C@H]1C[C@@H](O)CCN1 P12569 [1,1,0,0,0,0|1,0,1]=4 196 B8R1.4 N[C@@H]1COCC(=O)C1 F51972 [1,1,0,0,0,0|1,0,0]=3 197 B8R1.4 N[C@H]1CCC[C@H](O)C1 F11499 [1,1,0,0,0,0|0,0,2]=4 198 B8R1.4 N[C@H]1CCC[C@H](O)C1 P19975 [1,1,0,0,0,0|0,0,2]=4 199 B8R1.4 O=C1C=C(Cl)CCC1 D86029 [1,1,0,0,0,0|0,0,2]=4 200 B8R1.4 O=C1CCC[C@H](O)C1 P16037 [1,1,0,0,0,0|0,0,0]=2 201 B8R1.4 O=C1C[C@@H](F)CCN1 P19310 [1,1,0,0,0,0|1,0,0]=3 202 B8R1.5 C=C1CCCNC1=O D80229 [1,1,0,0,0,0|1,0,1]=4 203 B8R1.5 CC1CCNCC1O 38881 [1,1,0,0,0,0|1,0,0]=3 204 B8R1.5 CC1COCCC1N F13602 [1,1,0,0,0,0|1,0,1]=4 205 B8R1.5 CC1NCCCC1O W19147 [1,1,0,0,0,0|1,0,1]=4 206 B8R1.5 CN1CCCCC1=O C16744 [1,1,0,0,0,0|1,0,0]=3 207 B8R1.5 CN1CCSCC1=O AT12016 [1,1,0,0,0,0|2,0,0]=4 208 B8R1.5 C[C@@H]1CCNC[C@@H]1O 38884 [1,1,0,0,0,0|1,0,0]=3 209 B8R1.5 C[C@@H]1CNCC[C@@H]1O A11539 [1,1,0,0,0,0|1,0,1]=4 210 B8R1.5 C[C@H]1CCNCC1=O P13522 [1,1,0,0,0,0|1,0,0]=3 211 B8R1.5 C[C@H]1CCNC[C@@H]1O P12384 [1,1,0,0,0,0|1,0,0]=3 212 B8R1.5 C[C@H]1CCNC[C@@H]1O W19323 [1,1,0,0,0,0|1,0,0]=3 213 B8R1.5 C[C@H]1CCOCC1=O F53480 [1,1,0,0,0,0|1,0,0]=3 214 B8R1.5 NC1CC=CCC1N F16270 [1,1,0,0,0,0|1,0,1]=4 215 B8R1.5 NC1CC=CCC1N F16271 [1,1,0,0,0,0|1,0,1]=4 216 B8R1.5 NC1CCCCC1O F13372 [1,1,0,0,0,0|0,0,2]=4 217 B8R1.5 NC1CCOCC1O AT20154 [1,1,0,0,0,0|2,0,0]=4 218 B8R1.5 N[C@@H]1CCCC[C@@H]1F AT23366 [1,1,0,0,0,0|1,0,1]=4 219 B8R1.5 N[C@@H]1CCCC[C@@H]1O F53834 [1,1,0,0,0,0|0,0,2]=4 220 B8R1.5 N[C@H]1CC=CC[C@@H]1N F16350 [1,1,0,0,0,0|1,0,1]=4 221 B8R1.5 N[C@H]1CC=CC[C@H]1N F14765 [1,1,0,0,0,0|1,0,1]=4 222 B8R1.5 N[C@H]1CC=CC[C@H]1N F16267 [1,1,0,0,0,0|1,0,1]=4 223 B8R1.5 N[C@H]1CCCNC1=O 51548 [1,1,0,0,0,0|1,0,0]=3 224 B8R1.5 N[C@H]1CCNC[C@@H]1O D76889 [1,1,0,0,0,0|2,0,0]=4 225 B8R1.5 N[C@H]1CCOC[C@@H]1O AT20174 [1,1,0,0,0,0|2,0,0]=4 226 B8R1.5 N[C@H]1CCOC[C@@H]1O P19349 [1,1,0,0,0,0|2,0,0]=4 227 B8R1.5 O=C1CCCC=C1I 62778 [1,1,0,0,0,0|0,0,2]=4 228 B8R1.5 O=C1CCNC[C@@H]1Br F13559 [1,1,0,0,0,0|1,0,0]=3 229 B8R1.5 O=C1CCNC[C@@H]1Br F13560 [1,1,0,0,0,0|1,0,0]=3 230 B8R1.5 O=C1CCNC[C@@H]1F P11685 [1,1,0,0,0,0|1,0,0]=3 231 B8R1.5 O[C@H]1CNCC[C@H]1O 37852 [1,1,0,0,0,0|2,0,0]=4 232 B8R1.72 CC1(C)CCCCN1 AT24213 [1,1,0,0,0,0|1,0,1]=4 233 B8R1.72 CC1(C)CCCNC1 F30179 [1,1,0,0,0,0|1,0,1]=4 234 B8R1.72 CC1(N)CCCCC1 W10115 [1,1,0,0,0,0|0,0,1]=3 235 B8R1.72 CC1(N)CCNCC1 D75159 [1,1,0,0,0,0|1,0,0]=3 236 B8R1.72 N=S1(=O)CCCCC1 AT11345 [1,1,0,0,0,0|1,0,0]=3 237 B8R1.72 N=S1(=O)CCNCC1 AT25289 [1,1,0,0,0,0|2,0,0]=4 238 B8R1.72 N=S1(=O)CCOCC1 AT25738 [1,1,0,0,0,0|2,0,0]=4 239 B8R1.1 C=C[C@@H]1COC(=O)C1 88424 [0,1,0,0,1,0|1,0,1]=4 240 B8R1.1 CC[C@@H]1CNC(=O)C1 P10810 [0,1,0,0,1,0|1,0,0]=3 241 B8R1.1 CC[C@H]1CCC(=O)C1 W18649 [0,1,0,0,1,0|0,0,0]=2 242 B8R1.1 CC[C@H]1CCC(=O)N1 D72846 [0,1,0,0,1,0|1,0,0]=3 243 B8R1.1 CC[C@H]1COC(=O)N1 W10319 [0,1,0,0,1,0|2,0,0]=4 244 B8R1.1 CN1CC[C@H](CCl)C1 AC6371 [0,1,0,0,1,0|2,0,0]=4 245 B8R1.1 CN[C@@H]1COC(=O)C1 P12585 [0,1,0,0,1,0|1,0,0]=3 246 B8R1.1 NCC1CCC(F)C1 D72883 [0,1,0,0,1,0|1,0,1]=4 247 B8R1.1 NC[C@H]1CNC(=O)O1 P12528 [0,1,0,0,1,0|2,0,0]=4 248 B8R1.1 NC[C@H]1COC(=O)N1 P15383 [0,1,0,0,1,0|2,0,0]=4 249 B8R1.1 O=C1CC[C@H](CBr)O1 C12574 [0,1,0,0,1,0|1,0,0]=3 250 B8R1.1 O=C1CC[C@H](CI)N1 AT14276 [0,1,0,0,1,0|1,0,0]=3 251 B8R1.1 O=C1CC[C@H](CO)C1 D97067 [0,1,0,0,1,0|0,0,0]=2 252 B8R1.1 O=C1C[C@H](CBr)CN1 AC8640 [0,1,0,0,1,0|1,0,0]=3 253 B8R1.1 OCC1CCC(F)C1 AT22250 [0,1,0,0,1,0|1,0,1]=4 254 B8R1.18 CC1CC(=O)OC1C AC8330 [0,1,0,0,1,0|1,0,0]=3 255 B8R1.18 CC1CC(=O)OC1O S10278 [0,1,0,0,1,0|1,0,0]=3 256 B8R1.18 CC1NC(=O)CC1O 94943 [0,1,0,0,1,0|1,0,0]=3 257 B8R1.18 CN1C[C@@H](I)CC1=O D79270 [0,1,0,0,1,0|2,0,0]=4 258 B8R1.18 CN1C[C@@H](N)CC1=O AT19106 [0,1,0,0,1,0|2,0,0]=4 259 B8R1.18 C[C@H]1CC(=O)N(C)C1 F18257 [0,1,0,0,1,0|1,0,0]=3 260 B8R1.50 CC1C(=O)NCC1O 94942 [0,1,0,0,1,0|2,0,0]=4 261 B8R1.51 CC1(C)CC(=O)CO1 P20320 [0,1,0,0,1,0|1,0,0]=3 262 B8R1.51 CC1(C)CC(=O)CS1 31047 [0,1,0,0,1,0|1,0,0]=3 263 B8R1.51 N[C@H]1CCS(=O)(=O)C1 P10035 [0,1,0,0,1,0|2,0,0]=4 264 B8R1.51 O=S1(=O)CC[C@H](Br)C1 AC8639 [0,1,0,0,1,0|2,0,0]=4 265 B10R1.1 CCCC1CCC(N)CC1 T71534 [0,2,0,0,0,0|1,0,1]=4 266 B10R1.1 NCCC1CCC(N)CC1 D88527 [0,2,0,0,0,0|1,0,1]=4 267 B10R1.1 NCCN1CCC(=O)CC1 D88106 [0,2,0,0,0,0|1,0,0]=3 268 B10R1.1 NCCN1CCS(=O)CC1 AT25295 [0,2,0,0,0,0|2,0,0]=4 269 B10R1.3 C#CC1CCC(CO)CC1 58319 [0,2,0,0,0,0|1,0,1]=4 270 B10R1.3 CCC1CCC(C=O)CC1 79556 [0,2,0,0,0,0|0,0,1]=3 271 B10R1.3 NC[C@H]1CC[C@H](CN)CC1 T70001 [0,2,0,0,0,0|1,0,1]=4 272 B10R1.13 CC(=O)C1CCC(=O)CC1 F53160 [0,2,0,0,0,0|0,0,0]=2 273 B10R1.13 CC(C)[C@H]1C=CC(=O)CC1 AT12689 [0,2,0,0,0,0|0,0,2]=4 274 B10R1.13 CC(C)[C@H]1CC[C@@H](N)CC1 D78627 [0,2,0,0,0,0|1,0,1]=4 275 B10R1.13 C[C@@H]1CC[C@H](C(=O)O)CN1 C90710 [0,2,0,0,0,0|1,0,1]=4 276 B10R1.13 C[C@H](N)C1CCN(C)CC1 C77757 [0,2,0,0,0,0|2,0,0]=4 277 B10R1.13 C[C@H]1CC[C@H](C(=O)O)CN1 F18655 [0,2,0,0,0,0|1,0,1]=4 278 B10R1.13 NC(=O)C1CCC(O)CC1 P18990 [0,2,0,0,0,0|1,0,1]=4 279 B10R1.13 NC(=O)N1CCC(N)CC1 AT22994 [0,2,0,0,0,0|2,0,0]=4 280 B10R1.13 NC(=O)N1CCC(O)CC1 AT22996 [0,2,0,0,0,0|2,0,0]=4 281 B10R1.13 N[C@H]1CC[C@H](C(F)F)CC1 D97105 [0,2,0,0,0,0|1,0,1]=4 282 B10R1.13 O=C1CC[C@@H](C(=O)O)NC1 P10634 [0,2,0,0,0,0|1,0,1]=4 283 B10R1.13 OC1CCC(C(F)F)CC1 AT12694 [0,2,0,0,0,0|0,0,2]=4 284 B10R1.26 CC1(C)CCC(CN)CC1 W18590 [0,2,0,0,0,0|1,0,1]=4 285 B10R1.26 CNC1CCC(F)(F)CC1 AT11408 [0,2,0,0,0,0|1,0,1]=4 286 B10R1.26 NCC1CCC(F)(F)CC1 E72828 [0,2,0,0,0,0|1,0,1]=4 287 B10R1.26 NCC1CCS(=O)(=O)CC1 38060 [0,2,0,0,0,0|1,0,0]=3 288 B10R1.473 CC1(C#N)CCC(=O)CC1 P11998 [0,2,0,0,0,0|0,0,0]=2 289 B10R1.473 CN1CCC(C)(CO)CC1 53327 [0,2,0,0,0,0|2,0,0]=4 290 B10R1.473 CN1CCC(O)(CN)CC1 C15383 [0,2,0,0,0,0|2,0,0]=4 291 B10R1.63 CC1=CC(=O)CCC1(C)C 90807 [0,2,0,0,0,0|0,0,2]=4 292 B10R1.63 C[C@]1(N)CCC(=O)NC1=O AC5324 [0,2,0,0,0,0|1,0,1]=4 293 B10R1.147 CC1=CC(C)(C)CCC1=O 90811 [0,2,0,0,0,0|0,0,2]=4 294 B10R1.147 O=C1CCS(=O)(=O)C[C@@H]1Br 52972 [0,2,0,0,0,0|2,0,0]=4 295 B10R1.297 CC1(N)CCC(F)(F)CC1 AT13363 [0,2,0,0,0,0|1,0,1]=4 296 B10R1.30 CCN1C[C@H](C)NCC1=O F19820 [0,2,0,0,0,0|2,0,0]=4 297 B10R1.30 C[C@H]1CCC(Cl)=C(C#N)C1 57550 [0,2,0,0,0,0|1,0,1]=4 298 B10R1.30 C[C@H]1CCC(Cl)=C(C=O)C1 AC9741 [0,2,0,0,0,0|1,0,1]=4 299 B10R1.120 CC1(C)C[C@@H](O)CCC1=O F30863 [0,2,0,0,0,0|1,0,0]=3 300 B10R1.120 O=C1NC[C@@H](O)CC1(F)F S11367 [0,2,0,0,0,0|2,0,0]=4 301 B8R1.10 CNCCC1CCC1 P12905 [0,0,1,1,0,0|2,0,0]=4 302 B8R1.38 CCC(=O)C1CCC1 F53463 [0,0,1,1,0,0|0,0,0]=2 303 B8R1.38 COC(=O)[C@@H]1CCN1 P19136 [0,0,1,1,0,0|2,0,0]=4 304 B8R1.38 NCC(=O)N1CCC1 C77774 [0,0,1,1,0,0|2,0,0]=4 305 B8R1.41 CCCCC1(O)CC1 AT11369 [0,0,1,1,0,0|0,0,2]=4 306 B8R1.23 C[C@H]1C[C@@H](C(=O)O)C1 37681 [0,0,1,1,0,0|1,0,0]=3 307 B8R1.23 NC1CC(C(=O)O)C1 87717 [0,0,1,1,0,0|2,0,0]=4 308 B8R1.35 O=C(Cl)OCC1CC1 C77515 [0,0,1,1,0,0|2,0,0]=4 309 B8R2.2 CC12CCCC1O2 AT16552 [1,0,0,1,0,0|1,0,1]=4 310 B8R2.2 C[C@]12CCCC1O2 F50046 [1,0,0,1,0,0|1,0,1]=4 311 B8R2.34 C1CC2CCC1O2 T72216 [1,0,0,1,0,0|0,0,2]=4 312 B8R2.34 C1CN2CCC1C2 F15254 [1,0,0,1,0,0|1,0,0]=3 313 B8R2.38 O=C1CC[C@@H]2C[C@H]12 97893 [1,0,0,1,0,0|0,0,0]=2 314 B8R2.38 O=C1NC[C@@H]2C[C@H]12 H11212 [1,0,0,1,0,0|1,0,0]=3 315 B8R2.38 O[C@H]1CC[C@@H]2C[C@H]12 D74723 [1,0,0,1,0,0|0,0,2]=4 316 B10R2.178 O=C1CCC2CCC1C2 AT22812 [0,0,0,1,0,1|0,0,0]=2 317 B10R2.109 OCC1CCC2CC2C1 AT14844 [0,1,0,1,0,0|0,0,2]=4 318 B10R2.335 NC1CCC2(CC1)CC2 84848 [0,1,0,1,0,0|1,0,1]=4 319 B10R2.335 O=C1CCC2(CC1)N=N2 AT11952 [0,1,0,1,0,0|1,0,0]=3 320 B10R2.571 NC12CCC(N)(CC1)C2 P14860 [0,1,0,1,0,0|1,0,1]=4 321 B10R2.43 O=C1OC(=O)C2CC1C2 54028 [0,1,0,1,0,0|1,0,1]=4 322 B10R2.60 O=C1CC2CC1CC2=O AC5793 [0,1,0,1,0,0|1,0,1]=4 323 B6R0.2 CC(C)C[C@H](C)N 90224 [0,0,1,0,1,0|1,0,1]=4 324 B6R1.2 C[C@H]1CCNC1 71655 [1,0,0,0,1,0|1,0,0]=3 325 B6R1.2 FC1CCCC1 T71800 [1,0,0,0,1,0|1,0,0]=3 326 B6R1.2 F[C@H]1CCNC1 FD10498 [1,0,0,0,1,0|2,0,0]=4 327 B6R1.2 O=C1CCON1 A11072 [1,0,0,0,1,0|2,0,0]=4 328 B6R1.2 O=C1CNCN1 C15062 [1,0,0,0,1,0|2,0,0]=4 329 B6R1.4 CC1CCC1N W15200 [0,0,0,0,2,0|1,0,1]=4 330 B6R1.5 C[C@H]1CC(=O)N1 D72859 [0,0,0,0,2,0|1,0,0]=3 331 B6R1.5 NC1CC(=O)C1 D78737 [0,0,0,0,2,0|1,0,0]=3 332 B8R0.28 C=C(C)CCCC(C)C T70747 [0,0,1,0,0,1|1,0,0]=3 333 B8R0.28 CC(=O)CCCC(C)=O AC9369 [0,0,1,0,0,1|1,0,1]=4 334 B8R0.28 CC(=O)CCCN(C)C AC6136 [0,0,1,0,0,1|1,0,0]=3 335 B8R0.28 CC(C)CCOC(=O)Cl AC2336 [0,0,1,0,0,1|1,0,0]=3 336 B8R0.28 CC(C)CNCC(C)C A11894 [0,0,1,0,0,1|1,0,1]=4 337 B8R0.28 CC(C)C\C=C\C(=O)O 81164 [0,0,1,0,0,1|1,0,1]=4 338 B8R0.28 CC(C)C\C=C\C(N)=O 81121 [0,0,1,0,0,1|1,0,1]=4 339 B8R0.28 CN(C)CCCC(=O)O A11102 [0,0,1,0,0,1|2,0,0]=4