0 B8R1.22 C[C@H]1CCCCCN1 AT22104 [0,0,0,0,0,0|1,0,1]=2 1 B8R1.22 C[C@H]1CCNCCN1 AT20047 [0,0,0,0,0,0|2,0,1]=3 2 B8R1.22 C[C@H]1CCNCCN1 AT20048 [0,0,0,0,0,0|2,0,1]=3 3 B8R1.22 C[C@H]1CCNCCN1 AT20119 [0,0,0,0,0,0|2,0,1]=3 4 B8R1.22 C[C@H]1CNCCCN1 70846 [0,0,0,0,0,0|2,0,1]=3 5 B8R1.22 C[C@H]1CNCCCN1 AT20050 [0,0,0,0,0,0|2,0,1]=3 6 B8R1.22 C[C@H]1COCCCN1 AT11435 [0,0,0,0,0,0|2,0,1]=3 7 B8R1.22 F[C@H]1CCCNCC1 72531 [0,0,0,0,0,0|3,0,1]=4 8 B8R1.22 I[C@H]1CCCOCC1 55131 [0,0,0,0,0,0|3,0,1]=4 9 B8R1.22 N[C@H]1CCCCNC1 F13105 [0,0,0,0,0,0|3,0,1]=4 10 B8R1.22 O[C@H]1CCCCNC1 73004 [0,0,0,0,0,0|2,0,2]=4 11 B8R1.22 O[C@H]1CCCOCC1 55130 [0,0,0,0,0,0|2,0,2]=4 12 B7R1.24 C1=CCCNCC1 C13802 [1,0,0,0,0,0|2,0,0]=3 13 B7R1.24 C1CCCNCC1 D77224 [1,0,0,0,0,0|0,0,1]=2 14 B7R1.24 C1CCNNCC1 AB9014 [1,0,0,0,0,0|1,0,0]=2 15 B7R1.24 C1CNCCSC1 W16417 [1,0,0,0,0,0|1,0,1]=3 16 B9R1.5 CN1CCNCCC1=O AT20060 [0,1,0,0,0,0|1,0,0]=2 17 B9R1.5 C[C@@H]1OCCCNC1=O 73063 [0,1,0,0,0,0|1,0,0]=2 18 B9R1.5 C[C@H]1CCNCCN1C AC6586 [0,1,0,0,0,0|2,0,1]=4 19 B9R1.5 N[C@H]1CCCCC[C@@H]1O AT10930 [0,1,0,0,0,0|1,0,2]=4 20 B9R1.5 N[C@H]1CSCCNC1=O C16734 [0,1,0,0,0,0|1,0,0]=2 21 B9R1.5 O=C1CCCCC[C@@H]1Br AT20921 [0,1,0,0,0,0|1,0,0]=2 22 B9R1.5 O=C1CCCCC[C@@H]1Cl T71318 [0,1,0,0,0,0|1,0,0]=2 23 B9R1.5 O=C1CCNCC[C@@H]1Br C90706 [0,1,0,0,0,0|2,0,0]=3 24 B9R1.5 O=C1NCCCC[C@@H]1Br F50955 [0,1,0,0,0,0|0,0,0]=1 25 B9R1.48 CN1CCCC[C@H](N)C1 AT11195 [0,1,0,0,0,0|3,0,0]=4 26 B9R1.48 CN1CCCNC(=O)C1 AT20054 [0,1,0,0,0,0|1,0,0]=2 27 B9R1.48 C[C@H]1CN(C)CCCN1 90920 [0,1,0,0,0,0|2,0,1]=4 28 B9R1.49 O=C1CCNC(=O)CC1 C91705 [0,1,0,0,0,0|0,0,1]=2 29 B9R1.89 O=CC1CCCCCC1 AT13628 [0,1,0,0,0,0|1,0,1]=3 30 B9R1.148 CC1(C)CNCCCN1 AT13212 [0,1,0,0,0,0|2,0,1]=4 31 B9R1.148 CC1(C)CNCCCN1 AT20052 [0,1,0,0,0,0|2,0,1]=4 32 B7R0.1 C#CCNCCCN AT19978 [0,0,1,0,0,0|2,0,1]=4 33 B7R0.1 C=CCCCCCCl I11994 [0,0,1,0,0,0|2,0,0]=3 34 B7R0.1 C=CCCCCCO F14745 [0,0,1,0,0,0|2,0,0]=3 35 B7R0.1 CNCCCCCO AT11157 [0,0,1,0,0,0|3,0,0]=4 36 B7R0.1 CNCCCCCO AT11158 [0,0,1,0,0,0|3,0,0]=4 37 B7R0.1 COCCOCCN F50617 [0,0,1,0,0,0|3,0,0]=4 38 B7R0.1 C\C=C/CCCCC T72919 [0,0,1,0,0,0|2,0,0]=3 39 B7R0.1 NCCSCCCO AT25557 [0,0,1,0,0,0|1,0,2]=4 40 B7R0.1 O=CCCCCCCl 24359 [0,0,1,0,0,0|1,0,0]=2 41 B7R0.1 OCCCCCCI AT14272 [0,0,1,0,0,0|1,0,2]=4 42 B7R0.3 C#CCNC(=O)CBr AT23362 [0,0,1,0,0,0|1,0,2]=4 43 B7R0.3 CCC(=O)OCOC D72002 [0,0,1,0,0,0|2,0,0]=3 44 B7R0.3 CCCNC(=O)CN C78397 [0,0,1,0,0,0|1,0,0]=2 45 B7R0.3 CCONC(=O)CN AT14835 [0,0,1,0,0,0|2,0,0]=3 46 B7R0.3 CNC(=O)NCCO AT23083 [0,0,1,0,0,0|2,0,0]=3 47 B7R0.3 CNC(=O)OCCO AT13707 [0,0,1,0,0,0|2,0,0]=3 48 B7R0.3 CNOCC(=O)OC AT14517 [0,0,1,0,0,0|3,0,0]=4 49 B7R0.3 COC(=N)CCCCl C76486 [0,0,1,0,0,0|3,0,0]=4 50 B7R0.3 COC(=O)CCCN 32601 [0,0,1,0,0,0|2,0,0]=3 51 B7R0.3 COC(=O)NCCN AT13709 [0,0,1,0,0,0|2,0,0]=3 52 B7R0.4 C#CCOCC(N)=O AT20727 [0,0,1,0,0,0|1,0,2]=4 53 B7R0.4 CC(=O)NCCCN AR2174 [0,0,1,0,0,0|1,0,0]=2 54 B7R0.4 CCCCCC(N)=S W19000 [0,0,1,0,0,0|0,1,0]=2 55 B7R0.4 CCNCCC(N)=O A11725 [0,0,1,0,0,0|1,0,0]=2 56 B7R0.4 CC\C=C/CC(=O)O F18341 [0,0,1,0,0,0|1,0,2]=4 57 B7R0.4 CNCCCC(N)=O AB11605 [0,0,1,0,0,0|1,0,0]=2 58 B7R0.4 CNCCNC(C)=O C77870 [0,0,1,0,0,0|1,0,0]=2 59 B7R0.4 COCCC[N+](=O)[O-] E70181 [0,0,1,0,0,0|3,0,0]=4 60 B7R0.4 C[S@](=O)CCCCN 13216 [0,0,1,0,0,0|3,0,0]=4 61 B7R0.4 NC(=O)CCCCBr AC9465 [0,0,1,0,0,0|1,0,0]=2 62 B7R0.4 NC(=O)CCCCCl AC5718 [0,0,1,0,0,0|1,0,0]=2 63 B7R0.4 NCCCCC(N)=O AC3685 [0,0,1,0,0,0|1,0,0]=2 64 B7R0.4 NCCSCC(=O)O AT25571 [0,0,1,0,0,0|3,0,0]=4 65 B7R0.4 O=C(Cl)COCCCl AT18762 [0,0,1,0,0,0|3,0,0]=4 66 B7R0.7 CCOC(=O)CCN F19878 [0,0,1,0,0,0|2,0,0]=3 67 B7R0.7 CCSC(=O)OCI C77591 [0,0,1,0,0,0|3,0,0]=4 68 B7R0.7 O=C(CCBr)CCBr 52047 [0,0,1,0,0,0|3,0,0]=4 69 B9R2.7 O=C1C[C@@H]2C=CC[C@H]12 F12960 [0,0,0,1,0,0|1,0,2]=4 70 B9R2.7 O=C1N[C@H]2CCC[C@@H]12 F12974 [0,0,0,1,0,0|0,0,0]=1 71 B9R2.68 C1CN2CCC(C2)N1 F30915 [0,0,0,1,0,0|2,0,1]=4 72 B7R1.3 BrC1=CCCNC1 D85784 [0,0,0,0,1,0|2,0,1]=4 73 B7R1.3 Br[C@H]1CCCNC1 C14028 [0,0,0,0,1,0|2,0,1]=4 74 B7R1.3 C=C1CCCNC1 W15931 [0,0,0,0,1,0|2,0,0]=3 75 B7R1.3 C=C1CCNCC1 33821 [0,0,0,0,1,0|2,0,0]=3 76 B7R1.3 CC1=CCOCC1 F17726 [0,0,0,0,1,0|2,0,1]=4 77 B7R1.3 C[C@H]1CCCCN1 N14212 [0,0,0,0,1,0|1,0,1]=3 78 B7R1.3 C[C@H]1CCCNC1 F14484 [0,0,0,0,1,0|2,0,1]=4 79 B7R1.3 C[C@H]1CSCCN1 AT10756 [0,0,0,0,1,0|2,0,1]=4 80 B7R1.3 C[C@H]1CSCCN1 AT10759 [0,0,0,0,1,0|2,0,1]=4 81 B7R1.3 ClC1=CCCCC1 FD10699 [0,0,0,0,1,0|1,0,1]=3 82 B7R1.3 NN1CCNCC1 I10257 [0,0,0,0,1,0|3,0,0]=4 83 B7R1.3 NN1CCNCC1 P19252 [0,0,0,0,1,0|3,0,0]=4 84 B7R1.3 N[C@H]1CCCOC1 F31015 [0,0,0,0,1,0|2,0,1]=4 85 B7R1.3 N[C@H]1CCCOC1 P11042 [0,0,0,0,1,0|2,0,1]=4 86 B7R1.3 O=S1CCOCC1 A51207 [0,0,0,0,1,0|2,0,0]=3 87 B7R1.3 S=C1CCCCC1 N16924 [0,0,0,0,1,0|0,1,0]=2 88 B6R0.6 C#CCCCCN D76652 [1,0,1,0,0,0|0,0,2]=4 89 B6R0.6 C=CCSCCN AT25545 [1,0,1,0,0,0|1,0,1]=4 90 B6R0.6 CCNCCSC AT25567 [1,0,1,0,0,0|1,0,1]=4 91 B6R0.6 CCOCCNN AC6859 [1,0,1,0,0,0|2,0,0]=4 92 B6R0.6 CCOCCON AT14482 [1,0,1,0,0,0|2,0,0]=4 93 B6R0.6 CNCCCOC F15969 [1,0,1,0,0,0|1,0,1]=4 94 B6R0.6 COCCCCN C77605 [1,0,1,0,0,0|1,0,1]=4 95 B6R0.6 COCCCON AT14486 [1,0,1,0,0,0|2,0,0]=4 96 B6R0.6 C\C=C/CCCCl T71143 [1,0,1,0,0,0|2,0,0]=4 97 B6R0.6 N#CCCCCN AC2033 [1,0,1,0,0,0|1,0,1]=4 98 B6R0.6 NCCOCCF AT12496 [1,0,1,0,0,0|2,0,0]=4 99 B6R0.6 NCCSCCO AT25550 [1,0,1,0,0,0|1,0,1]=4 100 B6R0.6 O=CNCCCO AC9004 [1,0,1,0,0,0|1,0,0]=3 101 B6R0.6 [2H]OCCCCC D99155 [1,0,1,0,0,0|2,0,0]=4 102 B6R0.1 CCNC(=O)OC C16084 [1,0,1,0,0,0|1,0,0]=3 103 B6R0.1 COCC(=O)CCl D85993 [1,0,1,0,0,0|2,0,0]=4 104 B6R0.1 COCC(=O)OC F53343 [1,0,1,0,0,0|2,0,0]=4 105 B6R0.1 CONC(=O)CCl AT14830 [1,0,1,0,0,0|2,0,0]=4 106 B6R0.1 O=C(CCCl)NO AC8818 [1,0,1,0,0,0|2,0,0]=4 107 B6R0.4 C=C(C)CCCO 71061 [1,0,1,0,0,0|2,0,0]=4 108 B6R0.4 CCCNC(=S)[S-] I11294 [1,0,1,0,0,0|1,1,0]=4 109 B6R0.4 CCNCC(=O)O T72729 [1,0,1,0,0,0|2,0,0]=4 110 B6R0.4 CCONC(C)=O AT24904 [1,0,1,0,0,0|1,0,0]=3 111 B6R0.4 CNCCC(N)=O C78256 [1,0,1,0,0,0|1,0,0]=3 112 B6R0.4 COCOC(C)=O D72003 [1,0,1,0,0,0|2,0,0]=4 113 B6R0.4 NC(=O)CCCO AT20755 [1,0,1,0,0,0|1,0,0]=3 114 B6R0.4 NCCCC(=O)O T70552 [1,0,1,0,0,0|2,0,0]=4 115 B6R0.4 NCCCC(N)=O AC5898 [1,0,1,0,0,0|1,0,0]=3 116 B8R0.4 CNCCCCCCO AT11159 [0,1,1,0,0,0|0,0,2]=4 117 B8R0.4 NCCCCCCCO AT22494 [0,1,1,0,0,0|0,0,2]=4 118 B8R0.7 CC(=O)NCCCCN S12336 [0,1,1,0,0,0|1,0,0]=3 119 B8R0.7 CCCCC#CC(=O)O T71801 [0,1,1,0,0,0|1,0,1]=4 120 B8R0.7 CCCCNCC(=O)O D87235 [0,1,1,0,0,0|2,0,0]=4 121 B8R0.7 CNCCCNC(C)=O C78307 [0,1,1,0,0,0|1,0,0]=3 122 B8R0.7 N=C(N)NCCCCN FD1295 [0,1,1,0,0,0|2,0,0]=4 123 B8R0.7 NC(=O)CCCCCO AC6170 [0,1,1,0,0,0|1,0,0]=3 124 B8R0.7 O=C(O)CCOCCBr C70446 [0,1,1,0,0,0|2,0,0]=4 125 B8R0.7 O=C(O)CCOCCO C70447 [0,1,1,0,0,0|2,0,0]=4 126 B8R0.7 O=CNCCCC(=O)O AB3831 [0,1,1,0,0,0|1,0,1]=4 127 B8R0.3 CCC[C@H](N)C(=O)OC F20626 [0,1,1,0,0,0|1,0,0]=3 128 B8R0.3 COC[C@H](O)C(=O)OC AT24811 [0,1,1,0,0,0|2,0,0]=4 129 B8R0.8 CCCCC(=O)[C@H](C)N D78735 [0,1,1,0,0,0|1,0,0]=3 130 B8R0.8 CN(C)C(=O)NCCO AT23088 [0,1,1,0,0,0|2,0,0]=4 131 B8R0.9 C=CC(=O)NC[C@H](C)O AC9846 [0,1,1,0,0,0|0,0,2]=4 132 B8R0.9 CC(C)CNC(=O)CN F21149 [0,1,1,0,0,0|1,0,0]=3 133 B8R0.9 NCC(=O)NCC(F)F C13780 [0,1,1,0,0,0|2,0,0]=4 134 B8R0.19 CC[C@H](N)CC(=O)OC F16995 [0,1,1,0,0,0|1,0,0]=3 135 B8R0.19 CC[C@H](O)CC(=O)OC C15994 [0,1,1,0,0,0|1,0,0]=3 136 B8R0.25 CNS(=O)(=O)CCCO AT20612 [0,1,1,0,0,0|2,0,0]=4 137 B8R0.25 CNS(=O)(=O)CCOC AT20626 [0,1,1,0,0,0|2,0,0]=4 138 B8R0.5 CCC[C@H](C)OC(C)=O 73904 [0,1,1,0,0,0|1,0,0]=3 139 B8R0.5 CCC[C@H](N)CC(=O)O N15479 [0,1,1,0,0,0|1,0,0]=3 140 B8R0.5 CCC[C@H](N)CC(=O)O N15480 [0,1,1,0,0,0|1,0,0]=3 141 B8R0.21 CCCCNP(N)(N)=O 78606 [0,1,1,0,0,0|2,0,0]=4 142 B8R0.21 CCOCCS(N)(=O)=O AT20625 [0,1,1,0,0,0|2,0,0]=4 143 B8R0.21 COCCCS(N)(=O)=O AT20611 [0,1,1,0,0,0|2,0,0]=4 144 B8R0.28 C=C(C)CCCC(C)C T70747 [0,1,1,0,0,0|2,0,0]=4 145 B8R0.28 CC(=O)CCCC(C)=O AC9369 [0,1,1,0,0,0|1,0,1]=4 146 B8R0.28 CC(=O)CCCN(C)C AC6136 [0,1,1,0,0,0|2,0,0]=4 147 B8R0.28 CC(C)CCOC(=O)Cl AC2336 [0,1,1,0,0,0|2,0,0]=4 148 B8R0.28 CC(C)C\C=C\C(N)=O 81121 [0,1,1,0,0,0|0,0,2]=4 149 B8R0.28 CN(C)CCCC(=O)O A11102 [0,1,1,0,0,0|2,0,0]=4 150 B8R1.2 CC[C@H]1CCCCN1 N11156 [0,1,0,0,1,0|1,0,1]=4 151 B8R1.2 CNC1CCCCC1 S12279 [0,1,0,0,1,0|1,0,1]=4 152 B8R1.2 O=CC1CCNCC1 62056 [0,1,0,0,1,0|1,0,1]=4 153 B8R1.3 C=C1CCC(=O)CC1 57377 [0,1,0,0,1,0|0,0,1]=3 154 B8R1.3 CC1CCN(N)CC1 F13743 [0,1,0,0,1,0|2,0,0]=4 155 B8R1.3 CN1CCC(Br)CC1 AC6332 [0,1,0,0,1,0|2,0,0]=4 156 B8R1.3 CN1CCC(I)CC1 D97152 [0,1,0,0,1,0|2,0,0]=4 157 B8R1.3 CN1CCC(S)CC1 AT13364 [0,1,0,0,1,0|2,0,0]=4 158 B8R1.3 C[C@H]1CC[C@@H](N)CC1 N13044 [0,1,0,0,1,0|1,0,1]=4 159 B8R1.3 C[C@H]1CC[C@H](C)NC1 29624 [0,1,0,0,1,0|1,0,1]=4 160 B8R1.3 C[C@H]1CNC(=O)CO1 AT13719 [0,1,0,0,1,0|1,0,0]=3 161 B8R1.3 C[C@H]1CNC(=O)CO1 AT13722 [0,1,0,0,1,0|1,0,0]=3 162 B8R1.3 N[C@H]1CCC(=O)NC1 70845 [0,1,0,0,1,0|0,0,0]=2 163 B8R1.3 O=C1CCC(=O)NN1 D87745 [0,1,0,0,1,0|1,0,1]=4 164 B8R1.3 O=C1CCC(Br)CC1 C77503 [0,1,0,0,1,0|0,0,0]=2 165 B8R1.3 O=C1COC(=O)CN1 P10244 [0,1,0,0,1,0|1,0,1]=4 166 B8R1.3 OC1CCC(Br)CC1 P19527 [0,1,0,0,1,0|0,0,2]=4 167 B8R1.4 CC1CCNC(C)C1 D87679 [0,1,0,0,1,0|1,0,1]=4 168 B8R1.4 CN1CCCC(=O)C1 C14007 [0,1,0,0,1,0|1,0,0]=3 169 B8R1.4 CN1CCC[C@H](N)C1 F13063 [0,1,0,0,1,0|2,0,0]=4 170 B8R1.4 CN1CCC[C@H](O)C1 AC6069 [0,1,0,0,1,0|2,0,0]=4 171 B8R1.4 C[C@H]1CC(=O)CCN1 W10112 [0,1,0,0,1,0|1,0,0]=3 172 B8R1.4 C[C@H]1CCCC(=O)C1 90784 [0,1,0,0,1,0|0,0,0]=2 173 B8R1.4 C[C@H]1CCCC(=O)N1 90463 [0,1,0,0,1,0|0,0,0]=2 174 B8R1.4 C[C@H]1CCC[C@H](C)N1 P21143 [0,1,0,0,1,0|1,0,1]=4 175 B8R1.4 C[C@H]1CNCC(=O)N1 P13905 [0,1,0,0,1,0|1,0,0]=3 176 B8R1.4 C[C@H]1C[C@@H](O)CCN1 P12569 [0,1,0,0,1,0|1,0,1]=4 177 B8R1.4 N[C@@H]1COCC(=O)C1 F51972 [0,1,0,0,1,0|1,0,0]=3 178 B8R1.4 N[C@H]1CCC[C@H](O)C1 F11499 [0,1,0,0,1,0|0,0,2]=4 179 B8R1.4 N[C@H]1CCC[C@H](O)C1 P19975 [0,1,0,0,1,0|0,0,2]=4 180 B8R1.4 O=C1C=C(Cl)CCC1 D86029 [0,1,0,0,1,0|0,0,2]=4 181 B8R1.4 O=C1CCC[C@H](O)C1 P16037 [0,1,0,0,1,0|0,0,0]=2 182 B8R1.4 O=C1CSCC(=O)N1 AT12015 [0,1,0,0,1,0|1,0,1]=4 183 B8R1.4 O=C1C[C@@H](F)CCN1 P19310 [0,1,0,0,1,0|0,0,0]=2 184 B8R1.5 C=C1CCCNC1=O D80229 [0,1,0,0,1,0|0,0,1]=3 185 B8R1.5 CC1NCCCC1O W19147 [0,1,0,0,1,0|1,0,1]=4 186 B8R1.5 CN1CCCCC1=O C16744 [0,1,0,0,1,0|0,0,0]=2 187 B8R1.5 CN1CCSCC1=O AT12016 [0,1,0,0,1,0|1,0,0]=3 188 B8R1.5 C[C@H]1CCNCC1=O P13522 [0,1,0,0,1,0|1,0,0]=3 189 B8R1.5 C[C@H]1CCOCC1=O F53480 [0,1,0,0,1,0|1,0,0]=3 190 B8R1.5 NC1CCCCC1O F13372 [0,1,0,0,1,0|0,0,2]=4 191 B8R1.5 N[C@@H]1CCCC[C@@H]1F AT23366 [0,1,0,0,1,0|1,0,1]=4 192 B8R1.5 N[C@@H]1CCCC[C@@H]1O F53834 [0,1,0,0,1,0|0,0,2]=4 193 B8R1.5 N[C@H]1CCCNC1=O 51548 [0,1,0,0,1,0|0,0,0]=2 194 B8R1.5 O=C1CCCC=C1I 62778 [0,1,0,0,1,0|0,0,2]=4 195 B8R1.5 O=C1CCNC[C@@H]1Br F13559 [0,1,0,0,1,0|1,0,0]=3 196 B8R1.5 O=C1CCNC[C@@H]1Br F13560 [0,1,0,0,1,0|1,0,0]=3 197 B8R1.5 O=C1CCNC[C@@H]1F P11685 [0,1,0,0,1,0|1,0,0]=3 198 B8R1.5 O=C1NCCNC1=O AT12017 [0,1,0,0,1,0|1,0,1]=4 199 B8R1.72 CC1(C)CCCCN1 AT24213 [0,1,0,0,1,0|1,0,1]=4 200 B8R1.72 CC1(N)CCCCC1 W10115 [0,1,0,0,1,0|1,0,1]=4 201 B8R1.72 N=S1(=O)CCCCC1 AT11345 [0,1,0,0,1,0|1,0,0]=3 202 B8R1.72 N=S1(=O)CCNCC1 AT25289 [0,1,0,0,1,0|2,0,0]=4 203 B8R1.72 N=S1(=O)CCOCC1 AT25738 [0,1,0,0,1,0|2,0,0]=4 204 B8R1.72 O=S1(=O)COCCN1 P10864 [0,1,0,0,1,0|2,0,0]=4 205 B10R1.161 O=NN1CCCCCCC1 T72064 [0,1,0,0,0,1|2,0,0]=4 206 B10R1.19 CCN1CCCNCC1=O AT20058 [0,2,0,0,0,0|1,0,0]=3 207 B10R1.19 N#CC1=C(Cl)CCCCC1 57554 [0,2,0,0,0,0|2,0,0]=4 208 B10R1.19 N#C[C@H]1CCCCCC1=O AC9253 [0,2,0,0,0,0|1,0,0]=3 209 B10R1.300 O=C1NCCNCC1(F)F AT22604 [0,2,0,0,0,0|1,0,0]=3 210 B10R1.348 O=C(O)[C@@H]1CCCCCN1 98384 [0,2,0,0,0,0|0,0,1]=3 211 B10R1.348 OB(O)C1=CCCCCC1 AT23172 [0,2,0,0,0,0|1,0,1]=4 212 B8R1.8 C=CC[C@H]1CCCN1 N15483 [0,0,1,1,0,0|1,0,0]=3 213 B8R1.8 CCC[C@H]1CCCN1 N12832 [0,0,1,1,0,0|1,0,1]=4 214 B8R1.8 COC[C@H]1CCCN1 C77885 [0,0,1,1,0,0|2,0,0]=4 215 B8R1.8 NCCC1CCCC1 23497 [0,0,1,1,0,0|1,0,1]=4 216 B8R1.8 NCC[C@H]1CCCO1 AT11471 [0,0,1,1,0,0|0,0,2]=4 217 B8R1.8 O=CCN1CCCC1 AC9721 [0,0,1,1,0,0|2,0,0]=4 218 B8R1.10 CNCC[C@H]1CCN1 F50261 [0,0,1,1,0,0|2,0,0]=4 219 B8R1.10 COCC[C@H]1CCN1 F50258 [0,0,1,1,0,0|2,0,0]=4 220 B8R1.10 COCC[C@H]1CCN1 F50334 [0,0,1,1,0,0|2,0,0]=4 221 B8R1.11 CC[C@H]1CCNC1=O AT18851 [0,0,1,1,0,0|0,0,0]=2 222 B8R1.11 CO[C@H]1CCCC1=O AT25997 [0,0,1,1,0,0|2,0,0]=4 223 B8R1.11 CO[C@H]1CCC[C@@H]1N AT13762 [0,0,1,1,0,0|2,0,0]=4 224 B8R1.11 N#C[C@@H]1CCC[C@@H]1N P17847 [0,0,1,1,0,0|1,0,1]=4 225 B8R1.11 N#C[C@@H]1CCC[C@@H]1N P17962 [0,0,1,1,0,0|1,0,1]=4 226 B8R1.11 N[C@H]1CCC[C@H]1CO AT21374 [0,0,1,1,0,0|0,0,2]=4 227 B8R1.1 CC[C@@H]1CNC(=O)C1 P10810 [0,0,1,1,0,0|0,0,0]=2 228 B8R1.1 CC[C@H]1CCC(=O)C1 W18649 [0,0,1,1,0,0|1,0,0]=3 229 B8R1.1 CC[C@H]1CCC(=O)N1 D72846 [0,0,1,1,0,0|0,0,0]=2 230 B8R1.1 CC[C@H]1COC(=O)N1 W10319 [0,0,1,1,0,0|1,0,0]=3 231 B8R1.1 CN[C@@H]1COC(=O)C1 P12585 [0,0,1,1,0,0|2,0,0]=4 232 B8R1.1 NC[C@H]1CNC(=O)O1 P12528 [0,0,1,1,0,0|2,0,0]=4 233 B8R1.1 NC[C@H]1COC(=O)N1 P15383 [0,0,1,1,0,0|2,0,0]=4 234 B8R1.1 O=C1CC[C@H](CBr)O1 C12574 [0,0,1,1,0,0|2,0,0]=4 235 B8R1.1 O=C1CC[C@H](CI)N1 AT14276 [0,0,1,1,0,0|1,0,0]=3 236 B8R1.1 O=C1CC[C@H](CO)C1 D97067 [0,0,1,1,0,0|2,0,0]=4 237 B8R1.1 O=C1C[C@H](CBr)CN1 AC8640 [0,0,1,1,0,0|1,0,0]=3 238 B8R1.38 CCC(=O)C1CCC1 F53463 [0,0,1,1,0,0|1,0,0]=3 239 B8R1.38 COC(=O)[C@@H]1CCN1 P19136 [0,0,1,1,0,0|2,0,0]=4 240 B8R1.38 NCC(=O)N1CCC1 C77774 [0,0,1,1,0,0|1,0,0]=3 241 B8R1.40 CNC(=S)NC1CC1 AT24986 [0,0,1,1,0,0|1,1,0]=4 242 B8R1.50 CC1C(=O)NCC1O 94942 [0,0,1,1,0,0|1,0,0]=3 243 B8R1.7 CC(=O)C1=NCCC1 H10253 [0,0,1,1,0,0|2,0,0]=4 244 B8R1.7 CC(=O)[C@@H]1CCCN1 F13089 [0,0,1,1,0,0|2,0,0]=4 245 B8R1.7 CC(=O)[C@@H]1CCCO1 74204 [0,0,1,1,0,0|2,0,0]=4 246 B8R1.7 CC(=O)[C@H]1CCNC1 78818 [0,0,1,1,0,0|2,0,0]=4 247 B8R1.7 C[C@H](N)C1CCCC1 79900 [0,0,1,1,0,0|1,0,1]=4 248 B8R1.7 C[C@H](N)C1CCCC1 79901 [0,0,1,1,0,0|1,0,1]=4 249 B8R1.7 N=C(N)C1CCCC1 71790 [0,0,1,1,0,0|1,0,0]=3 250 B8R1.7 NC(=O)[C@H]1CCNC1 P11232 [0,0,1,1,0,0|1,0,0]=3 251 B8R1.7 NC(=S)C1CCCC1 N13298 [0,0,1,1,0,0|0,1,0]=3 252 B8R1.7 NC(=S)[C@@H]1CCCO1 W10328 [0,0,1,1,0,0|1,1,0]=4 253 B8R1.7 O=C(Cl)[C@H]1CCOC1 A12769 [0,0,1,1,0,0|2,0,0]=4 254 B8R1.7 O=C(O)[C@@H]1CCCS1 98590 [0,0,1,1,0,0|2,0,0]=4 255 B8R1.7 O=C(O)[C@@H]1CCCS1 98591 [0,0,1,1,0,0|2,0,0]=4 256 B8R1.31 C[C@H]1NC[C@@H]1C(=O)O P18148 [0,0,1,1,0,0|2,0,0]=4 257 B8R1.34 CC(=O)C=C1CCC1 F20871 [0,0,1,1,0,0|1,0,1]=4 258 B8R1.34 CC(=O)NC1CNC1 33732 [0,0,1,1,0,0|1,0,0]=3 259 B8R1.34 CC(=O)SC1CNC1 P12390 [0,0,1,1,0,0|2,0,0]=4 260 B8R1.34 CC(C)NC1CCC1 AT13081 [0,0,1,1,0,0|1,0,1]=4 261 B8R1.34 C[C@H](N)CC1CCC1 55436 [0,0,1,1,0,0|1,0,1]=4 262 B8R1.34 NC(=O)NC1CNC1 AT23009 [0,0,1,1,0,0|2,0,0]=4 263 B8R1.34 NC(=O)OC1CNC1 AT23010 [0,0,1,1,0,0|2,0,0]=4 264 B8R1.34 O=C(Cl)CC1CCC1 AT23645 [0,0,1,1,0,0|1,0,0]=3 265 B8R1.34 O=C(O)CC1CNC1 A50755 [0,0,1,1,0,0|2,0,0]=4 266 B8R1.34 O=C(O)CC1CNC1 P10897 [0,0,1,1,0,0|2,0,0]=4 267 B8R1.35 NC(=S)NCC1CC1 AT24985 [0,0,1,1,0,0|1,1,0]=4 268 B8R1.35 O=C(Cl)OCC1CC1 C77515 [0,0,1,1,0,0|2,0,0]=4 269 B8R1.43 CCC1CC1C(=O)O AT12378 [0,0,1,1,0,0|1,0,0]=3 270 B8R1.18 CC1CC(=O)OC1C AC8330 [0,0,1,1,0,0|1,0,0]=3 271 B8R1.18 CC1CC(=O)OC1O S10278 [0,0,1,1,0,0|2,0,0]=4 272 B8R1.18 CC1NC(=O)CC1O 94943 [0,0,1,1,0,0|1,0,0]=3 273 B8R1.37 CCOC(=O)[C@@H]1CO1 A10023 [0,0,1,1,0,0|2,0,0]=4 274 B8R2.34 C1CC2CCC1O2 T72216 [0,0,0,1,1,0|0,0,2]=4 275 B8R2.34 C1CN2CCC1C2 F15254 [0,0,0,1,1,0|2,0,0]=4 276 B8R2.38 O=C1CC[C@@H]2C[C@H]12 97893 [0,0,0,1,1,0|0,0,0]=2 277 B8R2.38 O=C1NC[C@@H]2C[C@H]12 H11212 [0,0,0,1,1,0|0,0,0]=2 278 B8R2.38 O[C@H]1CC[C@@H]2C[C@H]12 D74723 [0,0,0,1,1,0|0,0,2]=4 279 B10R2.2 O=C1CC2CCOC2O1 D74390 [0,0,0,1,0,1|1,0,0]=3 280 B10R2.32 O=C1CCN2CCC[C@@H]12 F14126 [0,0,0,1,0,1|1,0,0]=3 281 B10R2.32 O=C1COC2OCCC12 91362 [0,0,0,1,0,1|2,0,0]=4 282 B10R2.320 O=C1NC2CC=CCC12 W18792 [0,0,0,1,0,1|0,0,1]=3 283 B10R2.320 O=C1NC2CCCCC12 F18199 [0,0,0,1,0,1|0,0,0]=2 284 B10R2.408 C1CC2CNCC(C1)C2 32763 [0,0,0,1,0,1|1,0,1]=4 285 B10R2.178 O=C1CCC2CCC1C2 AT22812 [0,1,0,1,0,0|1,0,0]=3 286 B6R1.1 C1CCNCC1 S11730 [1,0,0,0,1,0|0,0,0]=2 287 B6R1.1 C1CCONC1 P10408 [1,0,0,0,1,0|1,0,0]=3 288 B6R1.1 C1CNCOC1 C72764 [1,0,0,0,1,0|1,0,0]=3 289 B6R1.2 FC1CCCC1 T71800 [0,0,0,0,2,0|1,0,1]=4 290 B6R1.2 N=C1NCCN1 AT25110 [0,0,0,0,2,0|2,0,0]=4 291 B6R1.2 O=C1CCON1 A11072 [0,0,0,0,2,0|1,0,0]=3 292 B6R1.2 O=C1CNCN1 C15062 [0,0,0,0,2,0|1,0,0]=3