0 B7R0.1 C=CCCCCCO F14745 [0,0,0,0,0,0|0,0,4]=4 1 B7R0.1 C=CC\C=C\CCC T72633 [0,0,0,0,0,0|1,0,3]=4 2 B7R0.1 CNCCCCCO AT11157 [0,0,0,0,0,0|1,0,2]=3 3 B7R0.1 CNCCCCCO AT11158 [0,0,0,0,0,0|1,0,2]=3 4 B7R0.1 COCCNCCO AT12488 [0,0,0,0,0,0|2,0,2]=4 5 B7R0.1 C\C=C/CCCCC T72919 [0,0,0,0,0,0|1,0,2]=3 6 B7R0.1 NCCSCCCO AT25557 [0,0,0,0,0,0|2,0,1]=3 7 B7R0.1 OCCCCCCI AT14272 [0,0,0,0,0,0|1,0,2]=3 8 B7R0.1 OCCCNCCO FD7298 [0,0,0,0,0,0|2,0,1]=3 9 B7R0.1 OCC\C=C\CCO AT19969 [0,0,0,0,0,0|1,0,2]=3 10 B6R0.6 CCNCCSC AT25567 [1,0,0,0,0,0|2,0,1]=4 11 B6R0.6 CCOCCNN AC6859 [1,0,0,0,0,0|3,0,0]=4 12 B6R0.6 CCOCCON AT14482 [1,0,0,0,0,0|3,0,0]=4 13 B6R0.6 CCO\C=C\C=O F18326 [1,0,0,0,0,0|2,0,1]=4 14 B6R0.6 COCCCCN C77605 [1,0,0,0,0,0|2,0,1]=4 15 B6R0.6 C\C=C/CCCCl T71143 [1,0,0,0,0,0|1,0,0]=2 16 B6R0.6 NCCSCCO AT25550 [1,0,0,0,0,0|2,0,1]=4 17 B6R0.6 O=CNCCCO AC9004 [1,0,0,0,0,0|2,0,0]=3 18 B6R0.6 OCCNCCO AB10274 [1,0,0,0,0,0|2,0,1]=4 19 B6R0.6 OCCOCCI C77657 [1,0,0,0,0,0|2,0,1]=4 20 B6R0.6 [2H]OCCCCC D99155 [1,0,0,0,0,0|2,0,1]=4 21 B8R0.1 CCCC[C@H](N)CCO D73273 [0,1,0,0,0,0|0,0,2]=3 22 B8R0.1 CCNC(=O)NCCO AT23087 [0,1,0,0,0,0|2,0,0]=3 23 B8R0.1 CCOC(=O)NCCN AT13715 [0,1,0,0,0,0|3,0,0]=4 24 B8R0.4 CCC#CCCCCC T72039 [0,1,0,0,0,0|1,0,2]=4 25 B8R0.4 CNCCCCCCO AT11159 [0,1,0,0,0,0|0,0,2]=3 26 B8R0.4 COCCNCCCO FD7300 [0,1,0,0,0,0|1,0,1]=3 27 B8R0.4 ClCCCCCCCCl T71360 [0,1,0,0,0,0|1,0,2]=4 28 B8R0.4 NCCCCCCCO AT22494 [0,1,0,0,0,0|0,0,2]=3 29 B8R0.4 OCCCOCCCCl D84666 [0,1,0,0,0,0|1,0,1]=3 30 B8R0.6 C=CC(=O)NCCCO C77634 [0,1,0,0,0,0|1,0,2]=4 31 B8R0.6 CC[C@H](C)CCCCO T72651 [0,1,0,0,0,0|0,0,2]=3 32 B8R0.6 CNC(=O)OCCCN AT13711 [0,1,0,0,0,0|3,0,0]=4 33 B8R0.6 COC(=O)NCCCN AT13710 [0,1,0,0,0,0|3,0,0]=4 34 B8R0.7 OCCCCOC(F)F 89957 [0,1,0,0,0,0|2,0,1]=4 35 B8R0.7 OCCCOCC(F)F AT25477 [0,1,0,0,0,0|2,0,1]=4 36 B8R0.7 [2H][C@H](Br)CCCCCC D99523 [0,1,0,0,0,0|1,0,2]=4 37 B8R0.7 [2H][C@H](O)CCCCCC D99646 [0,1,0,0,0,0|0,0,2]=3 38 B8R1.2 BrCC1CCNCC1 30601 [0,0,0,1,0,0|2,0,1]=4 39 B8R1.2 CC[C@H]1CCCCN1 N11156 [0,0,0,1,0,0|1,0,2]=4 40 B8R1.2 CC[C@H]1CNCCO1 D75750 [0,0,0,1,0,0|1,0,2]=4 41 B8R1.2 ICC1CCNCC1 AC3914 [0,0,0,1,0,0|2,0,1]=4 42 B8R1.2 NC[C@@H]1CC=CCC1 C78101 [0,0,0,1,0,0|1,0,0]=2 43 B8R1.2 NC[C@H]1CCC=CO1 P10036 [0,0,0,1,0,0|2,0,0]=3 44 B8R1.2 OCC1=CCCCO1 S11090 [0,0,0,1,0,0|1,0,0]=2 45 B8R1.2 OC[C@H]1CNCCN1 I11797 [0,0,0,1,0,0|2,0,1]=4 46 B8R1.2 OC[C@H]1COCCO1 D82528 [0,0,0,1,0,0|2,0,1]=4 47 B8R1.2 SCC1CCOCC1 P16932 [0,0,0,1,0,0|1,1,1]=4 48 B8R1.5 CC1CCNCC1O 38881 [0,0,0,1,0,0|1,0,2]=4 49 B8R1.5 CC1COCCC1N F13602 [0,0,0,1,0,0|2,0,1]=4 50 B8R1.5 CC1NCCCC1O W19147 [0,0,0,1,0,0|1,0,1]=3 51 B8R1.5 C[C@@H]1CCNC[C@@H]1O 38884 [0,0,0,1,0,0|1,0,2]=4 52 B8R1.5 C[C@@H]1CNCC[C@@H]1O A11539 [0,0,0,1,0,0|1,0,1]=3 53 B8R1.5 C[C@H]1CCNC[C@@H]1O P12384 [0,0,0,1,0,0|1,0,2]=4 54 B8R1.5 C[C@H]1CCNC[C@@H]1O W19323 [0,0,0,1,0,0|1,0,2]=4 55 B8R1.5 NC1CCCCC1O F13372 [0,0,0,1,0,0|1,0,2]=4 56 B8R1.5 N[C@@H]1CCCC[C@@H]1O F53834 [0,0,0,1,0,0|1,0,2]=4 57 B8R1.5 O[C@H]1CNCC[C@H]1O 37852 [0,0,0,1,0,0|2,0,1]=4 58 B8R1.8 CCCC1=NCCO1 T72500 [0,0,0,1,0,0|1,0,1]=3 59 B8R1.8 CCC[C@H]1CCCN1 N12832 [0,0,0,1,0,0|1,0,2]=4 60 B8R1.8 NCCC1CCCC1 23497 [0,0,0,1,0,0|1,0,2]=4 61 B8R1.8 NCC[C@H]1CCCO1 AT11471 [0,0,0,1,0,0|1,0,2]=4 62 B8R1.8 OCCN1C=CN=N1 N16844 [0,0,0,1,0,0|3,0,0]=4 63 B8R1.8 OCC[C@H]1CCCO1 56770 [0,0,0,1,0,0|1,0,1]=3 64 B8R1.8 OCC[C@H]1CCNC1 C16745 [0,0,0,1,0,0|1,0,1]=3 65 B8R1.8 OCC[C@H]1CCNC1 D84329 [0,0,0,1,0,0|1,0,1]=3 66 B8R1.11 CC1COCC1CCl 50130 [0,0,0,1,0,0|2,0,1]=4 67 B8R1.11 CC1COCC1CO 50120 [0,0,0,1,0,0|1,0,1]=3 68 B8R1.11 CO[C@H]1CCC[C@@H]1O AT11485 [0,0,0,1,0,0|1,0,2]=4 69 B8R1.11 CO[C@H]1CCC[C@@H]1O AT11487 [0,0,0,1,0,0|1,0,2]=4 70 B8R1.11 CO[C@H]1CCC[C@@H]1O AT11488 [0,0,0,1,0,0|1,0,2]=4 71 B8R1.11 N[C@H]1CCC[C@H]1CO AT21374 [0,0,0,1,0,0|1,0,2]=4 72 B8R1.11 OC[C@H]1CNC[C@@H]1O AT10999 [0,0,0,1,0,0|2,0,1]=4 73 B8R1.11 OC[C@H]1OCC[C@@H]1O E71898 [0,0,0,1,0,0|2,0,1]=4 74 B8R1.12 CO[C@H]1CC[C@@H]1CO D79583 [0,0,0,1,0,0|1,0,2]=4 75 B8R1.22 C[C@H]1CCCCCN1 AT22104 [0,0,0,1,0,0|1,0,2]=4 76 B8R1.22 C[C@H]1CNCCCN1 70846 [0,0,0,1,0,0|2,0,1]=4 77 B8R1.22 C[C@H]1CNCCCN1 AT20050 [0,0,0,1,0,0|2,0,1]=4 78 B8R1.22 C[C@H]1COCCCN1 AT11435 [0,0,0,1,0,0|2,0,1]=4 79 B8R1.22 F[C@H]1CCCNCC1 72531 [0,0,0,1,0,0|2,0,1]=4 80 B8R1.22 I[C@H]1CCCOCC1 55131 [0,0,0,1,0,0|2,0,1]=4 81 B8R1.22 O[C@H]1CCCCNC1 73004 [0,0,0,1,0,0|1,0,2]=4 82 B8R1.22 O[C@H]1CCCOCC1 55130 [0,0,0,1,0,0|1,0,1]=3 83 B8R1.36 CCCCC[C@H]1CO1 T72538 [0,0,0,1,0,0|0,0,2]=3 84 B8R1.49 C1CNCCCNC1 C90170 [0,0,0,1,0,0|2,0,1]=4 85 B5R0.2 C=CCCC#N C16042 [2,0,0,0,0,0|1,0,1]=4 86 B5R0.2 C=CCCON S12259 [2,0,0,0,0,0|2,0,0]=4 87 B5R0.2 CCCCNN AC6660 [2,0,0,0,0,0|2,0,0]=4 88 B5R0.2 CCCCNO AT14838 [2,0,0,0,0,0|1,0,0]=3 89 B5R0.2 CCCNOC AT24927 [2,0,0,0,0,0|2,0,0]=4 90 B5R0.2 CONCCO AT24903 [2,0,0,0,0,0|2,0,0]=4 91 B5R0.2 C\C=C\CCN AT22492 [2,0,0,0,0,0|1,0,0]=3 92 B5R0.2 NCCCNO AT14843 [2,0,0,0,0,0|2,0,0]=4 93 B5R0.2 NNCCCO W10664 [2,0,0,0,0,0|2,0,0]=4 94 B5R0.2 NOCCCO P16653 [2,0,0,0,0,0|2,0,0]=4 95 B5R0.2 [2H]OCCCC D98922 [2,0,0,0,0,0|2,0,0]=4 96 B7R0.3 CC#CC[C@H](N)CO D75108 [1,1,0,0,0,0|0,0,2]=4 97 B7R0.3 CCC(=O)OCOC D72002 [1,1,0,0,0,0|2,0,0]=4 98 B7R0.3 CCCC[C@H](N)CO D75114 [1,1,0,0,0,0|0,0,1]=3 99 B7R0.3 CCCC[C@H](N)CO H10583 [1,1,0,0,0,0|0,0,1]=3 100 B7R0.3 CCCNC(=O)CN C78397 [1,1,0,0,0,0|2,0,0]=4 101 B7R0.3 CNC(=O)NCCO AT23083 [1,1,0,0,0,0|2,0,0]=4 102 B7R0.3 CNC(=O)OCCO AT13707 [1,1,0,0,0,0|2,0,0]=4 103 B7R0.3 COC(=N)CCCCl C76486 [1,1,0,0,0,0|2,0,0]=4 104 B7R0.3 COC(=O)CCCN 32601 [1,1,0,0,0,0|2,0,0]=4 105 B7R0.3 COC(=O)\C=C\CO AT12483 [1,1,0,0,0,0|1,0,1]=4 106 B7R0.3 C\C=C\C[C@@H](C)CC T72110 [1,1,0,0,0,0|1,0,0]=3 107 B7R0.4 C=C(C)CC\C=C\C T72820 [1,1,0,0,0,0|1,0,1]=4 108 B7R0.4 CC(=O)NCCCN AR2174 [1,1,0,0,0,0|2,0,0]=4 109 B7R0.4 CC\C=C/CC(=O)O F18341 [1,1,0,0,0,0|0,0,1]=3 110 B7R0.4 OCCCOC(F)F 89959 [1,1,0,0,0,0|2,0,0]=4 111 B7R0.7 CCC[C@H](N)CCO N15481 [1,1,0,0,0,0|0,0,1]=3 112 B7R0.7 CCC[C@H](N)CCO N15482 [1,1,0,0,0,0|0,0,1]=3 113 B7R0.7 CCOC(=O)CCN F19878 [1,1,0,0,0,0|2,0,0]=4 114 B9R0.5 CCOC(=O)CCCNC AB10379 [0,2,0,0,0,0|2,0,0]=4 115 B9R0.5 CCOC(=O)CNCCN FD21627 [0,2,0,0,0,0|2,0,0]=4 116 B9R0.34 CCOC(=O)C[C@H](O)CBr 11423 [0,2,0,0,0,0|2,0,0]=4 117 B9R0.34 CCOC(=O)C[C@H](O)CI CS2877 [0,2,0,0,0,0|2,0,0]=4 118 B9R0.2 CC(C)CCCCCCO D98911 [0,2,0,0,0,0|0,0,2]=4 119 B9R0.45 NCCOCCOCCO D84703 [0,2,0,0,0,0|1,0,1]=4 120 B9R0.45 OCCOCCOCCF A10821 [0,2,0,0,0,0|1,0,1]=4 121 B9R0.45 OCCOCCOCCS C70223 [0,2,0,0,0,0|1,0,1]=4 122 B9R0.46 CCCCCC[C@H](O)CO C16570 [0,2,0,0,0,0|0,0,2]=4 123 B9R0.46 CC[C@H](C)CCCCCO T71591 [0,2,0,0,0,0|0,0,2]=4 124 B9R0.46 COC(=O)COCCCO 56926 [0,2,0,0,0,0|1,0,1]=4 125 B9R0.46 COCCCCC(=O)OC AC9127 [0,2,0,0,0,0|1,0,1]=4 126 B9R0.46 OCCCCC[C@H](O)CO T72391 [0,2,0,0,0,0|0,0,2]=4 127 B9R0.47 CCCCOC(=O)[C@H](C)N F52316 [0,2,0,0,0,0|2,0,0]=4 128 B9R0.50 CCN(CCCCO)N=O T72602 [0,2,0,0,0,0|1,0,1]=4 129 B7R1.1 CCC1=CN=CO1 C77473 [1,0,0,1,0,0|1,0,1]=4 130 B7R1.1 CCC1CCCC1 T71889 [1,0,0,1,0,0|0,0,2]=4 131 B7R1.1 CC[C@H]1CCCN1 N12693 [1,0,0,1,0,0|1,0,1]=4 132 B7R1.1 ClC[C@H]1CCOC1 N12624 [1,0,0,1,0,0|2,0,0]=4 133 B7R1.1 NC[C@H]1CCOC1 68889 [1,0,0,1,0,0|2,0,0]=4 134 B7R1.1 OC[C@H]1CCCN1 11147 [1,0,0,1,0,0|1,0,1]=4 135 B7R1.1 ONC1CCCC1 33366 [1,0,0,1,0,0|1,0,1]=4 136 B7R1.1 ONC1CCCC1 33756 [1,0,0,1,0,0|1,0,1]=4 137 B7R1.3 CC1=CCOCC1 F17726 [1,0,0,1,0,0|2,0,0]=4 138 B7R1.3 C[C@H]1CCCCN1 N14212 [1,0,0,1,0,0|1,0,1]=4 139 B7R1.3 C[C@H]1CCCNC1 F14484 [1,0,0,1,0,0|1,0,1]=4 140 B7R1.3 ClC1=CCCCC1 FD10699 [1,0,0,1,0,0|2,0,0]=4 141 B7R1.3 N[C@@H]1C=CCCC1 AB10372 [1,0,0,1,0,0|1,0,0]=3 142 B7R1.3 N[C@@H]1CC=CCC1 AB8978 [1,0,0,1,0,0|1,0,0]=3 143 B7R1.4 CC1CNCC1O 72148 [1,0,0,1,0,0|1,0,1]=4 144 B7R1.4 CC1CNCC1O AT22587 [1,0,0,1,0,0|1,0,1]=4 145 B7R1.4 C[C@@H]1CCC[C@@H]1N 97379 [1,0,0,1,0,0|1,0,1]=4 146 B7R1.4 N[C@@H]1CCC[C@@H]1O P12481 [1,0,0,1,0,0|1,0,1]=4 147 B7R1.4 O[C@H]1CCC[C@@H]1O W19719 [1,0,0,1,0,0|1,0,1]=4 148 B7R1.5 C=CC[C@H]1C[C@@H]1O F50023 [1,0,0,1,0,0|0,0,2]=4 149 B7R1.6 OCC[C@H]1CCN1 D76473 [1,0,0,1,0,0|1,0,0]=3 150 B7R1.6 OCC[C@H]1CCN1 F50335 [1,0,0,1,0,0|1,0,0]=3 151 B7R1.7 OCCNC1CC1 AT25786 [1,0,0,1,0,0|1,0,1]=4 152 B7R1.8 OC[C@H]1CC[C@@H]1O D79582 [1,0,0,1,0,0|1,0,1]=4 153 B7R1.9 NC[C@@H]1C[C@@H]1CO AT20747 [1,0,0,1,0,0|1,0,1]=4 154 B7R1.9 OC[C@H]1C[C@@H]1CO AT12391 [1,0,0,1,0,0|1,0,1]=4 155 B7R1.24 C1=CCCNCC1 C13802 [1,0,0,1,0,0|1,0,0]=3 156 B7R1.24 C1CCCNCC1 D77224 [1,0,0,1,0,0|1,0,1]=4 157 B7R1.24 C1CCNNCC1 AB9014 [1,0,0,1,0,0|2,0,0]=4 158 B7R1.24 C1CNCCSC1 W16417 [1,0,0,1,0,0|1,1,0]=4 159 B9R1.2 CC1CCCC(CO)N1 P11618 [0,1,0,1,0,0|0,0,2]=4 160 B9R1.2 CC1CNCC(CO)C1 P19048 [0,1,0,1,0,0|1,0,1]=4 161 B9R1.7 CN1C=CC(CCO)=N1 AT15991 [0,1,0,1,0,0|1,0,1]=4 162 B9R1.7 O=C1CC[C@H](CCO)N1 AT10892 [0,1,0,1,0,0|1,0,0]=3 163 B9R1.8 CNC[C@H]1CCCCO1 F16332 [0,1,0,1,0,0|0,0,2]=4 164 B9R1.8 COC[C@H]1CCCNC1 C78400 [0,1,0,1,0,0|1,0,1]=4 165 B9R1.8 NCC[C@H]1CCCCO1 SC1551 [0,1,0,1,0,0|0,0,2]=4 166 B9R1.8 OCCN1CCCCO1 72896 [0,1,0,1,0,0|1,0,1]=4 167 B9R1.8 OCC[C@H]1CCCOC1 AT23679 [0,1,0,1,0,0|0,0,2]=4 168 B9R1.8 OCC[C@H]1CNCCN1 27756 [0,1,0,1,0,0|1,0,1]=4 169 B9R1.8 OCC[C@H]1CNCCO1 A50782 [0,1,0,1,0,0|1,0,1]=4 170 B9R1.8 OCC[C@H]1COCCN1 A50775 [0,1,0,1,0,0|1,0,1]=4 171 B9R1.8 OCC[C@H]1COCCN1 C78196 [0,1,0,1,0,0|1,0,1]=4 172 B9R1.12 CNCC[C@H]1CCCO1 F20641 [0,1,0,1,0,0|0,0,2]=4 173 B9R1.12 OCCCC1=CON=C1 C14065 [0,1,0,1,0,0|1,0,1]=4 174 B9R1.12 OCCO[C@H]1CCNC1 AT22525 [0,1,0,1,0,0|1,0,1]=4 175 B9R1.15 CCC1CCCCC1O D90497 [0,1,0,1,0,0|0,0,2]=4 176 B9R1.15 CO[C@H]1CCCC[C@@H]1O A12017 [0,1,0,1,0,0|0,0,2]=4 177 B9R1.15 C[C@@H]1OCCN[C@H]1CO 77689 [0,1,0,1,0,0|1,0,1]=4 178 B9R1.15 NCC1CCCCC1O C77667 [0,1,0,1,0,0|0,0,2]=4 179 B9R1.15 N[C@H]1CCCC[C@@H]1CO C80022 [0,1,0,1,0,0|0,0,2]=4 180 B9R1.15 OCC1CCNCC1O 33470 [0,1,0,1,0,0|1,0,1]=4 181 B9R1.15 OCC1CNCCC1O 33707 [0,1,0,1,0,0|1,0,1]=4 182 B9R1.15 OC[C@@H]1CCNC[C@@H]1O P17708 [0,1,0,1,0,0|1,0,1]=4 183 B9R1.15 OC[C@H]1CCNC[C@@H]1O P12895 [0,1,0,1,0,0|1,0,1]=4 184 B9R1.33 CN1N=CC=C1CCO AT15967 [0,1,0,1,0,0|1,0,1]=4 185 B9R1.33 O=C1NCC[C@@H]1CCO AT19068 [0,1,0,1,0,0|1,0,0]=3 186 B9R1.73 CCOC(=O)[C@@H]1CCN1 C16350 [0,1,0,1,0,0|2,0,0]=4 187 B9R1.73 CCOC(=O)[C@@H]1CCN1 D87602 [0,1,0,1,0,0|2,0,0]=4 188 B9R1.134 NC1(CCO)CCCC1 F51936 [0,1,0,1,0,0|0,0,2]=4 189 B9R1.5 C[C@@H]1OCCCNC1=O 73063 [0,1,0,1,0,0|1,0,0]=3 190 B9R1.5 N[C@H]1CCCCC[C@@H]1O AT10930 [0,1,0,1,0,0|0,0,2]=4 191 B9R1.14 CCN1C=CN=C1CO W12209 [0,1,0,1,0,0|1,0,1]=4 192 B9R1.14 OCC1=C(CO)CCC1 C92113 [0,1,0,1,0,0|1,0,1]=4 193 B9R1.14 OC[C@@H]1CNC[C@@H]1CO AT10998 [0,1,0,1,0,0|1,0,1]=4 194 B9R1.14 OC[C@H]1CNC[C@@H]1CO AT10997 [0,1,0,1,0,0|1,0,1]=4 195 B9R1.83 OCCCOC[C@H]1CO1 AT11748 [0,1,0,1,0,0|1,0,1]=4 196 B9R1.89 OC[C@H]1CCCNCC1 73020 [0,1,0,1,0,0|0,0,2]=4 197 B9R1.1 C[C@H]1CCC(CO)CN1 93005 [0,1,0,1,0,0|1,0,1]=4 198 B9R1.1 O=C1CCC(CBr)CC1 C77512 [0,1,0,1,0,0|1,0,1]=4 199 B9R1.11 CCC(=O)C1CCCC1 F53464 [0,1,0,1,0,0|1,0,1]=4 200 B9R1.11 N[C@@H](CO)C1CCCC1 N11290 [0,1,0,1,0,0|0,0,2]=4 201 B9R1.11 N[C@@H](CO)C1CCCC1 N11334 [0,1,0,1,0,0|0,0,2]=4 202 B9R1.88 COC(=O)C1CC1CO D73969 [0,1,0,1,0,0|1,0,1]=4 203 B9R1.118 CC1(CO)CCNCC1 53326 [0,1,0,1,0,0|1,0,1]=4 204 B9R1.118 C[C@]1(CO)CCCNC1 55565 [0,1,0,1,0,0|1,0,1]=4 205 B9R1.118 C[C@]1(CO)CCCNC1 55575 [0,1,0,1,0,0|1,0,1]=4 206 B9R1.118 NC1(CO)CCCCC1 AT12680 [0,1,0,1,0,0|0,0,2]=4 207 B9R1.118 NC1(CO)CCCCC1 AT12681 [0,1,0,1,0,0|0,0,2]=4 208 B9R1.118 NC1(CO)CCCCC1 D74962 [0,1,0,1,0,0|0,0,2]=4 209 B9R1.118 NC1(CO)CCNCC1 D75162 [0,1,0,1,0,0|1,0,1]=4 210 B9R1.118 OCC1(F)CCCCC1 26699 [0,1,0,1,0,0|0,0,2]=4 211 B9R1.118 OCC1(F)CCNCC1 P17075 [0,1,0,1,0,0|1,0,1]=4 212 B9R1.6 C[C@H](N)C1CCCCO1 79891 [0,1,0,1,0,0|0,0,2]=4 213 B9R1.6 C[C@H](O)C1CCCCC1 D77196 [0,1,0,1,0,0|0,0,2]=4 214 B9R1.13 CC(=O)C=C1CCCC1 F13249 [0,1,0,1,0,0|1,0,1]=4 215 B9R1.148 C[C@]1(O)CCCNCC1 P12010 [0,1,0,1,0,0|1,0,1]=4 216 B9R2.56 OCC12CCNC1C2 91927 [0,0,0,2,0,0|1,0,1]=4 217 B9R2.56 OC[C@]12CNC[C@H]1C2 C90730 [0,0,0,2,0,0|1,0,1]=4 218 B9R2.65 OCC1C2CNCC12 D87850 [0,0,0,2,0,0|1,0,1]=4 219 B9R2.68 C1=C[C@H]2CC[C@@H](C1)C2 T71364 [0,0,0,2,0,0|1,0,0]=3 220 B9R2.39 C=C1CC2C=CC1C2 AC9080 [0,0,0,2,0,0|1,0,1]=4 221 B9R2.39 CC1CC2C=CC1C2 A10533 [0,0,0,2,0,0|1,0,0]=3 222 B9R2.39 O[C@@H]1C[C@H]2CC[C@@H]1O2 F50034 [0,0,0,2,0,0|1,0,1]=4 223 B9R2.39 O[C@H]1C[C@@H]2C[C@H]1CN2 D79090 [0,0,0,2,0,0|1,0,1]=4 224 B9R2.39 O[C@H]1C[C@H]2C[C@@H]1CN2 D79089 [0,0,0,2,0,0|1,0,1]=4 225 B9R2.3 C1=NC[C@@H]2CCC[C@H]12 11434 [0,0,0,2,0,0|2,0,0]=4 226 B9R2.3 C1C[C@@H]2CNC[C@@H]2O1 AT25846 [0,0,0,2,0,0|1,0,1]=4 227 B9R2.3 C1NC[C@@H]2COC[C@H]12 P17791 [0,0,0,2,0,0|1,0,1]=4 228 B9R2.7 O=C1C[C@@H]2C=CC[C@H]12 F12960 [0,0,0,2,0,0|0,0,2]=4 229 B9R2.173 C1C[C@@]2(CCO2)CN1 32927 [0,0,0,2,0,0|1,0,1]=4 230 B9R2.173 C1C[C@@]2(CCO2)CN1 CS2754 [0,0,0,2,0,0|1,0,1]=4 231 B9R2.140 O[C@H]1CCC12CCC2 84851 [0,0,0,2,0,0|0,0,2]=4 232 B9R2.5 O[C@H]1CCCC12CC2 92333 [0,0,0,2,0,0|0,0,2]=4