0 B9R1.6 CC(=O)[C@@H]1CCCCN1 F16683 [0,0,0,0,0,0|2,0,0]=2 1 B9R1.6 CC(=O)[C@H]1CCCNC1 P11325 [0,0,0,0,0,0|2,0,0]=2 2 B9R1.6 CC(=O)[C@H]1CCCOC1 AT13308 [0,0,0,0,0,0|2,0,0]=2 3 B9R1.6 CC(C)[C@H]1CCCNC1 F53728 [0,0,0,0,0,0|3,0,1]=4 4 B9R1.6 CN(C)C1CCOCC1 D77650 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.6 CN(C)[C@H]1CCCNC1 D84000 [0,0,0,0,0,0|4,0,0]=4 6 B9R1.6 CN(C)[C@H]1CCCNC1 Y10739 [0,0,0,0,0,0|4,0,0]=4 7 B9R1.6 C[C@H](Br)C1CCCCC1 O10008 [0,0,0,0,0,0|2,0,1]=3 8 B9R1.6 C[C@H](N)C1CCCCC1 79907 [0,0,0,0,0,0|2,0,1]=3 9 B9R1.6 C[C@H](N)C1CCCCC1 79908 [0,0,0,0,0,0|2,0,1]=3 10 B9R1.6 C[C@H](N)C1CCCCO1 79891 [0,0,0,0,0,0|3,0,1]=4 11 B9R1.6 C[C@H](N)C1CCCOC1 79879 [0,0,0,0,0,0|3,0,1]=4 12 B9R1.6 C[C@H](N)C1CCCOC1 79880 [0,0,0,0,0,0|3,0,1]=4 13 B9R1.6 C[C@H](N)C1CCCOC1 79881 [0,0,0,0,0,0|3,0,1]=4 14 B9R1.6 C[C@H](N)C1CCCOC1 79882 [0,0,0,0,0,0|3,0,1]=4 15 B9R1.6 C[C@H](N)C1CCOCC1 AT13557 [0,0,0,0,0,0|3,0,1]=4 16 B9R1.6 C[C@H](N)C1CCOCC1 D77651 [0,0,0,0,0,0|3,0,1]=4 17 B9R1.6 C[C@H](O)C1CCCCC1 D77196 [0,0,0,0,0,0|1,0,1]=2 18 B9R1.6 C[C@H](O)[C@@H]1CNCCN1 91581 [0,0,0,0,0,0|3,0,1]=4 19 B9R1.6 C[C@H](O)[C@@H]1CNCCN1 91584 [0,0,0,0,0,0|3,0,1]=4 20 B9R1.6 FC(F)C1CCNCC1 P11049 [0,0,0,0,0,0|3,0,1]=4 21 B9R1.6 N=C(N)N1CCNCC1 28097 [0,0,0,0,0,0|4,0,0]=4 22 B9R1.6 N=C(N)N1CCNCC1 S12113 [0,0,0,0,0,0|4,0,0]=4 23 B9R1.6 N=C(N)N1CCOCC1 H11587 [0,0,0,0,0,0|4,0,0]=4 24 B9R1.6 N=C(N)N1CCSCC1 AT25298 [0,0,0,0,0,0|4,0,0]=4 25 B9R1.6 NC(=O)N1CCNCC1 D76637 [0,0,0,0,0,0|3,0,0]=3 26 B9R1.6 NC(=O)N1CCOCC1 F14225 [0,0,0,0,0,0|3,0,0]=3 27 B9R1.6 NC(=O)[C@@H]1CCCCN1 CS3415 [0,0,0,0,0,0|2,0,0]=2 28 B9R1.6 NC(=O)[C@@H]1CNCCO1 W13722 [0,0,0,0,0,0|3,0,0]=3 29 B9R1.6 NC(=O)[C@@H]1COCCN1 F17613 [0,0,0,0,0,0|3,0,0]=3 30 B9R1.6 NC(=O)[C@@H]1COCCN1 F19100 [0,0,0,0,0,0|3,0,0]=3 31 B9R1.6 O=C(O)C1=CCCNC1 C10916 [0,0,0,0,0,0|1,0,2]=3 32 B9R1.6 O=C(O)C1=CCCNC1 F13202 [0,0,0,0,0,0|1,0,2]=3 33 B9R1.6 O=C(O)C1=CCCOC1 SC1721 [0,0,0,0,0,0|1,0,2]=3 34 B9R1.6 O=C(O)[C@@H]1CCCCS1 90959 [0,0,0,0,0,0|1,0,0]=1 35 B9R1.6 O=C(O)[C@@H]1CCCNN1 50467 [0,0,0,0,0,0|2,0,0]=2 36 B9R1.6 O=C(O)[C@@H]1CSCCN1 77694 [0,0,0,0,0,0|2,0,0]=2 37 B9R1.6 O=C([O-])[C@@H]1CCC=CO1 AT21457 [0,0,0,0,0,0|1,0,3]=4 38 B8R1.2 BrCC1CCNCC1 30601 [1,0,0,0,0,0|2,0,1]=4 39 B8R1.2 CC[C@H]1CCCCN1 N11156 [1,0,0,0,0,0|2,0,1]=4 40 B8R1.2 CNC1CCCCC1 S12279 [1,0,0,0,0,0|2,0,0]=3 41 B8R1.2 CNC1CCNCC1 63132 [1,0,0,0,0,0|3,0,0]=4 42 B8R1.2 CNC1CCSCC1 AT10410 [1,0,0,0,0,0|3,0,0]=4 43 B8R1.2 CSC1CCNCC1 32247 [1,0,0,0,0,0|3,0,0]=4 44 B8R1.2 CSC1CCNCC1 P10626 [1,0,0,0,0,0|3,0,0]=4 45 B8R1.2 ICC1CCNCC1 AC3914 [1,0,0,0,0,0|2,0,1]=4 46 B8R1.2 N#C[C@H]1CCCOC1 94853 [1,0,0,0,0,0|2,0,1]=4 47 B8R1.2 NN[C@H]1CCCOC1 C93323 [1,0,0,0,0,0|3,0,0]=4 48 B8R1.2 NOC1CCOCC1 97662 [1,0,0,0,0,0|3,0,0]=4 49 B8R1.2 NO[C@H]1CCCOC1 97661 [1,0,0,0,0,0|3,0,0]=4 50 B8R1.2 O=CC1CCNCC1 62056 [1,0,0,0,0,0|1,0,0]=2 51 B8R1.2 OC[C@H]1CNCCN1 I11797 [1,0,0,0,0,0|2,0,1]=4 52 B8R1.2 OC[C@H]1COCCO1 D82528 [1,0,0,0,0,0|2,0,1]=4 53 B8R1.2 SCC1CCOCC1 P16932 [1,0,0,0,0,0|1,1,1]=4 54 B10R1.13 CC(=O)C1CCC(=O)CC1 F53160 [0,1,0,0,0,0|1,0,1]=3 55 B10R1.13 CC(C)[C@H]1CC[C@@H](N)CC1 D78627 [0,1,0,0,0,0|2,0,1]=4 56 B10R1.13 C[C@@H]1CC[C@H](C(=O)O)CN1 C90710 [0,1,0,0,0,0|1,0,0]=2 57 B10R1.13 C[C@H]1CC[C@H](C(=O)O)CN1 F18655 [0,1,0,0,0,0|1,0,0]=2 58 B10R1.13 N=C(N)N1CCC(O)CC1 AT21976 [0,1,0,0,0,0|3,0,0]=4 59 B10R1.13 NC(=O)C1CCC(O)CC1 P18990 [0,1,0,0,0,0|1,0,0]=2 60 B10R1.13 NC(=O)N1CCC(N)CC1 AT22994 [0,1,0,0,0,0|2,0,0]=3 61 B10R1.13 NC(=O)N1CCC(O)CC1 AT22996 [0,1,0,0,0,0|2,0,0]=3 62 B10R1.13 N[C@H]1CC[C@H](C(F)F)CC1 D97105 [0,1,0,0,0,0|2,0,1]=4 63 B10R1.13 O=C1CC[C@@H](C(=O)O)NC1 P10634 [0,1,0,0,0,0|1,0,1]=3 64 B10R1.13 O=C1CN[C@H](C(=O)O)CN1 74997 [0,1,0,0,0,0|2,0,1]=4 65 B10R1.13 O=C1CN[C@H](C(=O)O)CN1 C73109 [0,1,0,0,0,0|2,0,1]=4 66 B10R1.13 OC1CCC(C(F)F)CC1 AT12694 [0,1,0,0,0,0|2,0,1]=4 67 B10R1.15 CC[C@H](O)C1CCOCC1 AC9165 [0,1,0,0,0,0|2,0,1]=4 68 B10R1.15 CNC(=O)N1CCNCC1 AT22986 [0,1,0,0,0,0|3,0,0]=4 69 B10R1.15 CNC(=O)[C@@H]1CCCCN1 C77819 [0,1,0,0,0,0|2,0,0]=3 70 B10R1.15 CNC(=O)[C@@H]1CCCCN1 C78037 [0,1,0,0,0,0|2,0,0]=3 71 B10R1.15 CNC(=O)[C@@H]1CCCCN1 C78113 [0,1,0,0,0,0|2,0,0]=3 72 B10R1.15 CNC(=O)[C@H]1CCCNC1 AC6269 [0,1,0,0,0,0|2,0,0]=3 73 B10R1.15 COC(=O)C1=CCCCO1 S11698 [0,1,0,0,0,0|1,0,2]=4 74 B10R1.15 COC(=O)[C@@H]1CNCCN1 64289 [0,1,0,0,0,0|2,0,0]=3 75 B10R1.15 COC(=O)[C@@H]1CNCCN1 F16118 [0,1,0,0,0,0|2,0,0]=3 76 B10R1.15 COC(=O)[C@@H]1CNCCO1 F19021 [0,1,0,0,0,0|2,0,0]=3 77 B10R1.15 COC(=O)[C@@H]1CNCCO1 F19022 [0,1,0,0,0,0|2,0,0]=3 78 B10R1.15 COC(=O)[C@@H]1COCCN1 D76308 [0,1,0,0,0,0|2,0,0]=3 79 B10R1.15 N=C(NO)C1CCCCC1 91925 [0,1,0,0,0,0|1,0,0]=2 80 B10R1.15 NCC(=O)C1CCCCC1 P14033 [0,1,0,0,0,0|1,0,0]=2 81 B10R1.15 NCC(=O)N1CCOCC1 C78088 [0,1,0,0,0,0|3,0,0]=4 82 B10R1.15 N[C@@H](CO)C1CCCCC1 N11205 [0,1,0,0,0,0|1,0,1]=3 83 B10R1.15 O=C(CO)N1CCNCC1 AT23104 [0,1,0,0,0,0|2,0,0]=3 84 B10R1.15 O=C[C@@H](F)C1CCOCC1 C93349 [0,1,0,0,0,0|2,0,1]=4 85 B10R1.15 OC[C@H](F)C1CCOCC1 C93350 [0,1,0,0,0,0|2,0,1]=4 86 B10R1.28 CS(=O)(=O)[C@H]1CCCNC1 P19944 [0,1,0,0,0,0|2,0,1]=4 87 B10R1.28 C[Si](C)(Cl)C1CCCCC1 C16276 [0,1,0,0,0,0|2,1,0]=4 88 B10R1.28 C[Si](O)(O)C1CCCCC1 A11363 [0,1,0,0,0,0|0,1,1]=3 89 B10R1.28 NS(=O)(=O)C1CCCCC1 C74252 [0,1,0,0,0,0|1,0,1]=3 90 B10R1.28 NS(=O)(=O)N1CCCCC1 C91630 [0,1,0,0,0,0|2,0,1]=4 91 B10R1.28 O=S(=O)(F)C1CCCCC1 AT20708 [0,1,0,0,0,0|1,0,1]=3 92 B10R1.28 O=S(=O)(F)C1CCOCC1 AT20716 [0,1,0,0,0,0|2,0,1]=4 93 B10R1.61 CC1=C(C(=O)O)CCCO1 H11485 [0,1,0,0,0,0|1,0,2]=4 94 B10R1.61 CC1CCCCC1B(O)O D96319 [0,1,0,0,0,0|1,0,1]=3 95 B10R1.61 CC1CNCCC1C(=O)O 33568 [0,1,0,0,0,0|1,0,0]=2 96 B10R1.61 CN(C)C1CCCCC1N W19216 [0,1,0,0,0,0|3,0,0]=4 97 B10R1.61 CN(C)[C@H]1CCCC[C@@H]1O AT22768 [0,1,0,0,0,0|3,0,0]=4 98 B10R1.61 CN1CCNC[C@H]1C(=O)O C14452 [0,1,0,0,0,0|2,0,0]=3 99 B10R1.61 CN1CCNC[C@H]1C(=O)O F13276 [0,1,0,0,0,0|2,0,0]=3 100 B10R1.61 C[C@@H]1CCCN[C@@H]1C(=O)O 92901 [0,1,0,0,0,0|1,0,0]=2 101 B10R1.61 C[C@@H]1CCCN[C@@H]1C(=O)O AT11559 [0,1,0,0,0,0|1,0,0]=2 102 B10R1.61 C[C@@H]1NCCC[C@@H]1C(=O)O AT23064 [0,1,0,0,0,0|1,0,0]=2 103 B10R1.61 C[C@H]1CCCC=C1C(=O)O AT26703 [0,1,0,0,0,0|0,0,2]=3 104 B10R1.61 NC(=O)C1CC=CCC1N 74724 [0,1,0,0,0,0|1,0,2]=4 105 B10R1.61 NC(=O)C1CCCCC1N AT21040 [0,1,0,0,0,0|1,0,0]=2 106 B10R1.61 NC1CCCCC1C(=O)O 71292 [0,1,0,0,0,0|0,0,0]=1 107 B10R1.61 N[C@H]1COCC[C@H]1C(=O)O AT19404 [0,1,0,0,0,0|1,0,0]=2 108 B10R1.113 CC(=O)N1CCC[C@H](N)C1 C14349 [0,1,0,0,0,0|2,0,0]=3 109 B10R1.113 CC(=O)N1CCC[C@H](O)C1 AB7340 [0,1,0,0,0,0|2,0,0]=3 110 B10R1.113 CC(=O)N1CCC[C@H](O)C1 C16296 [0,1,0,0,0,0|2,0,0]=3 111 B10R1.113 CC(=O)N1CCC[C@H](O)C1 F17732 [0,1,0,0,0,0|2,0,0]=3 112 B10R1.113 CC1CC(C(=O)O)CCN1 88368 [0,1,0,0,0,0|1,0,0]=2 113 B10R1.113 CN1CCN[C@H](C(=O)O)C1 AB2925 [0,1,0,0,0,0|2,0,0]=3 114 B10R1.113 CN1CCO[C@H](C(=O)O)C1 F17615 [0,1,0,0,0,0|2,0,0]=3 115 B10R1.113 C[C@H]1CNC[C@@H](C(=O)O)O1 F18898 [0,1,0,0,0,0|2,0,0]=3 116 B10R1.113 C[C@H]1CNC[C@@H](C(=O)O)O1 F18902 [0,1,0,0,0,0|2,0,0]=3 117 B10R1.113 N[C@H]1CCC[C@H](C(=O)O)C1 P11798 [0,1,0,0,0,0|0,0,0]=1 118 B10R1.113 O=C1CCN[C@H](C(=O)O)C1 70893 [0,1,0,0,0,0|1,0,1]=3 119 B10R1.113 O=C1CCN[C@H](C(=O)O)C1 C14251 [0,1,0,0,0,0|1,0,1]=3 120 B10R1.113 O=C1CNC[C@@H](C(=O)O)N1 76385 [0,1,0,0,0,0|2,0,1]=4 121 B10R1.113 O=C1CSC[C@@H](C(=O)O)N1 AT25443 [0,1,0,0,0,0|2,0,1]=4 122 B10R1.363 CC(=O)C1(C)CCNCC1 E71837 [0,1,0,0,0,0|2,0,0]=3 123 B10R1.363 CC1(C(N)=O)CCNCC1 F13744 [0,1,0,0,0,0|2,0,0]=3 124 B10R1.363 C[C@@]1(C(=O)O)CCCCN1 29585 [0,1,0,0,0,0|1,0,0]=2 125 B10R1.363 NC1(C(=O)O)CCCCC1 I11975 [0,1,0,0,0,0|0,0,0]=1 126 B10R1.363 NC1(C(=O)O)CCSCC1 F30382 [0,1,0,0,0,0|1,0,0]=2 127 B10R1.363 O=C(O)C1(F)CCNCC1 D75180 [0,1,0,0,0,0|1,0,0]=2 128 B10R1.363 O=C(O)C1(O)CCNCC1 C80061 [0,1,0,0,0,0|1,0,0]=2 129 B10R1.363 O=C(O)[C@]1(F)CCCNC1 AT26792 [0,1,0,0,0,0|1,0,0]=2 130 B10R1.363 O=C(O)[C@]1(O)CCCNC1 F53431 [0,1,0,0,0,0|1,0,0]=2 131 B10R1.363 O=C(O)[C@]1(O)CCCNC1 F53597 [0,1,0,0,0,0|1,0,0]=2 132 B10R1.363 [2H]C1(C(=O)O)CCCCC1 D99315 [0,1,0,0,0,0|0,0,0]=1 133 B8R0.7 CC(=O)NCCCCN S12336 [0,0,1,0,0,0|3,0,0]=4 134 B8R0.7 CCCCC#CC(=O)O T71801 [0,0,1,0,0,0|0,0,2]=3 135 B8R0.7 CCCCNCC(=O)O D87235 [0,0,1,0,0,0|1,0,0]=2 136 B8R0.7 CNCCCNC(C)=O C78307 [0,0,1,0,0,0|3,0,0]=4 137 B8R0.7 NC(=O)CCCCCO AC6170 [0,0,1,0,0,0|2,0,0]=3 138 B8R0.7 O=C(O)CCOCCBr C70446 [0,0,1,0,0,0|2,0,0]=3 139 B8R0.7 O=C(O)CCOCCO C70447 [0,0,1,0,0,0|2,0,0]=3 140 B8R0.7 O=CNCCCC(=O)O AB3831 [0,0,1,0,0,0|2,0,1]=4 141 B8R0.7 [2H][C@H](Br)CCCCCC D99523 [0,0,1,0,0,0|2,0,1]=4 142 B8R0.7 [2H][C@H](O)CCCCCC D99646 [0,0,1,0,0,0|1,0,1]=3 143 B8R0.8 C=CCC[C@H](N)C(=O)O AT23573 [0,0,1,0,0,0|1,0,2]=4 144 B8R0.8 C=CCC[C@H](N)C(=O)O AT23574 [0,0,1,0,0,0|1,0,2]=4 145 B8R0.8 CC#CC[C@H](N)C(=O)O C15512 [0,0,1,0,0,0|1,0,2]=4 146 B8R0.8 CC(=O)N(C)CCCN C78500 [0,0,1,0,0,0|3,0,0]=4 147 B8R0.8 CCCC[C@H](C)C(C)C T70746 [0,0,1,0,0,0|2,0,1]=4 148 B8R0.8 CCCC[C@H](N)C(N)=O S11604 [0,0,1,0,0,0|2,0,0]=3 149 B8R0.8 CCOC[C@H](N)C(=O)O AT12801 [0,0,1,0,0,0|2,0,0]=3 150 B8R0.15 CCC[C@H](NC)C(=O)O AT16735 [0,0,1,0,0,0|1,0,0]=2 151 B8R0.15 CCC[C@H](NC)C(=O)O C15224 [0,0,1,0,0,0|1,0,0]=2 152 B8R0.15 CCC[C@H](OC)C(=O)O AC8429 [0,0,1,0,0,0|1,0,0]=2 153 B8R0.15 CCO[C@@H](CC)C(=O)O AC6373 [0,0,1,0,0,0|1,0,0]=2 154 B8R0.15 CN[C@@H](COC)C(=O)O AT12797 [0,0,1,0,0,0|2,0,0]=3 155 B10R2.61 O[C@@H]1C[C@H]2CCC[C@@H]1N2 P15058 [0,0,0,1,0,0|2,0,1]=4 156 B10R2.61 O[C@H]1C[C@H]2CCC[C@@H]1N2 P15059 [0,0,0,1,0,0|2,0,1]=4 157 B10R2.320 O=C1NC2CC=CCC12 W18792 [0,0,0,1,0,0|1,0,2]=4 158 B10R2.320 O=C1NC2CCCCC12 F18199 [0,0,0,1,0,0|1,0,0]=2 159 B10R2.351 NC(=O)[C@@H]1[C@H]2CNC[C@H]21 P16706 [0,0,0,1,0,0|2,0,0]=3 160 B10R2.351 O=C(O)C1C2C=CSC21 W18282 [0,0,0,1,0,0|1,0,2]=4 161 B10R2.351 O=C(O)[C@@H]1[C@H]2CNC[C@H]21 P11053 [0,0,0,1,0,0|1,0,0]=2 162 B10R2.351 O=C(O)[C@H]1[C@H]2CNC[C@H]21 P14891 [0,0,0,1,0,0|1,0,0]=2 163 B10R2.357 O=C(O)[C@@H]1C[C@@H]2C[C@@H]2N1 P10629 [0,0,0,1,0,0|1,0,0]=2 164 B8R1.7 CC(=O)C1=NCCC1 H10253 [0,0,0,0,1,0|2,0,1]=4 165 B8R1.7 CC(=O)[C@@H]1CCCN1 F13089 [0,0,0,0,1,0|2,0,0]=3 166 B8R1.7 CC(=O)[C@@H]1CCCO1 74204 [0,0,0,0,1,0|2,0,0]=3 167 B8R1.7 CC(=O)[C@H]1CCNC1 78818 [0,0,0,0,1,0|2,0,0]=3 168 B8R1.7 CC(C)C1CCCC1 T72412 [0,0,0,0,1,0|2,0,1]=4 169 B8R1.7 CC(O)C1CCNC1 72765 [0,0,0,0,1,0|2,0,1]=4 170 B8R1.7 CC(O)C1CCNC1 W10547 [0,0,0,0,1,0|2,0,1]=4 171 B8R1.7 CC(O)[C@@H]1CCCN1 AT26535 [0,0,0,0,1,0|2,0,1]=4 172 B8R1.7 C[C@H](N)C1CCCC1 79900 [0,0,0,0,1,0|2,0,1]=4 173 B8R1.7 C[C@H](N)C1CCCC1 79901 [0,0,0,0,1,0|2,0,1]=4 174 B8R1.7 N=C(N)C1CCCC1 71790 [0,0,0,0,1,0|2,0,0]=3 175 B8R1.7 NC(=O)[C@H]1CCNC1 P11232 [0,0,0,0,1,0|2,0,0]=3 176 B8R1.7 NC(=S)C1CCCC1 N13298 [0,0,0,0,1,0|1,1,0]=3 177 B8R1.7 NC(=S)[C@@H]1CCCO1 W10328 [0,0,0,0,1,0|2,1,0]=4 178 B8R1.7 O=C(Cl)[C@H]1CCOC1 A12769 [0,0,0,0,1,0|2,0,0]=3 179 B8R1.7 O=C(O)[C@@H]1C=CCN1 F10849 [0,0,0,0,1,0|1,0,2]=4 180 B8R1.7 O=C(O)[C@@H]1CCCS1 98590 [0,0,0,0,1,0|1,0,0]=2 181 B8R1.7 O=C(O)[C@@H]1CCCS1 98591 [0,0,0,0,1,0|1,0,0]=2 182 B8R1.7 O=C(O)[C@@H]1CCNO1 AT14856 [0,0,0,0,1,0|2,0,0]=3 183 B10R1.18 CC(=O)CN1CCOCC1 F30141 [0,0,0,0,0,1|3,0,0]=4 184 B10R1.18 CC(=O)OC1CCNCC1 95803 [0,0,0,0,0,1|2,0,0]=3 185 B10R1.18 C[C@H](N)CC1CCCCC1 N13140 [0,0,0,0,0,1|2,0,1]=4 186 B10R1.18 NC(=O)CC1CCNCC1 AC9776 [0,0,0,0,0,1|2,0,0]=3 187 B10R1.18 NC(=O)CC1CCOCC1 C14576 [0,0,0,0,0,1|2,0,0]=3 188 B10R1.18 NC(=O)CN1CCNCC1 O10537 [0,0,0,0,0,1|3,0,0]=4 189 B10R1.18 NC(=O)NC1CCNCC1 AT22990 [0,0,0,0,0,1|2,0,0]=3 190 B10R1.18 O=C(Cl)OC1CCOCC1 C77597 [0,0,0,0,0,1|2,0,0]=3 191 B10R1.18 O=C(O)CN1CCSCC1 AT25287 [0,0,0,0,0,1|2,0,0]=3 192 B10R1.18 O=C(O)CN1CCSCC1 W18219 [0,0,0,0,0,1|2,0,0]=3 193 B10R1.18 O=C(O)C[C@H]1CCCCN1 AC1465 [0,0,0,0,0,1|1,0,0]=2 194 B10R1.18 O=C(O)C[C@H]1CCCNC1 AC3441 [0,0,0,0,0,1|1,0,0]=2 195 B10R1.18 O=C(O)C[C@H]1CNCCN1 S11349 [0,0,0,0,0,1|2,0,0]=3 196 B10R1.18 O=C(O)C[C@H]1COCCN1 77662 [0,0,0,0,0,1|2,0,0]=3 197 B10R1.18 O=C(O)C[C@H]1COCCN1 77663 [0,0,0,0,0,1|2,0,0]=3 198 B10R1.18 O=C(O)C[C@H]1COCCN1 77664 [0,0,0,0,0,1|2,0,0]=3 199 B10R1.18 O=C(O)C[C@H]1COCCO1 39095 [0,0,0,0,0,1|2,0,0]=3 200 B10R1.348 O=C(O)[C@@H]1CCCCCN1 98384 [0,0,0,0,0,1|0,0,0]=1 201 B10R1.348 O=C(O)[C@H]1CCCNCC1 98343 [0,0,0,0,0,1|0,0,0]=1 202 B10R1.348 OB(O)C1=CCCCCC1 AT23172 [0,0,0,0,0,1|1,0,2]=4 203 B7R0.1 C=CCCCCCCl I11994 [1,0,1,0,0,0|2,0,0]=4 204 B7R0.1 C=CCCCCCO F14745 [1,0,1,0,0,0|2,0,0]=4 205 B7R0.1 CNCCCCCO AT11157 [1,0,1,0,0,0|1,0,1]=4 206 B7R0.1 CNCCCCCO AT11158 [1,0,1,0,0,0|1,0,1]=4 207 B7R0.1 C\C=C/CCCCC T72919 [1,0,1,0,0,0|1,0,1]=4 208 B7R0.1 O=CCCCCCCl 24359 [1,0,1,0,0,0|1,0,0]=3 209 B7R0.1 OCCCCCCI AT14272 [1,0,1,0,0,0|1,0,1]=4 210 B7R0.4 CCCCCC(N)=S W19000 [1,0,1,0,0,0|1,1,0]=4 211 B7R0.4 CCNCCC(N)=O A11725 [1,0,1,0,0,0|2,0,0]=4 212 B7R0.4 CC\C=C/CC(=O)O F18341 [1,0,1,0,0,0|0,0,2]=4 213 B7R0.4 CNCCCC(N)=O AB11605 [1,0,1,0,0,0|2,0,0]=4 214 B7R0.4 NC(=O)CCCCBr AC9465 [1,0,1,0,0,0|2,0,0]=4 215 B7R0.4 NC(=O)CCCCCl AC5718 [1,0,1,0,0,0|2,0,0]=4 216 B7R0.4 NCCCCC(N)=O AC3685 [1,0,1,0,0,0|2,0,0]=4 217 B7R0.4 NCCSCC(=O)O AT25571 [1,0,1,0,0,0|2,0,0]=4 218 B7R0.3 CCCC[C@H](N)CO D75114 [1,0,1,0,0,0|1,0,1]=4 219 B7R0.3 CCCC[C@H](N)CO H10583 [1,0,1,0,0,0|1,0,1]=4 220 B7R0.5 CC(=O)[C@@H](C)CCBr AC2947 [1,0,1,0,0,0|2,0,0]=4 221 B7R0.5 CCC[C@H](O)C(N)=O AC9726 [1,0,1,0,0,0|2,0,0]=4 222 B7R0.5 CNC[C@H](N)C(=O)O 88602 [1,0,1,0,0,0|2,0,0]=4 223 B7R0.5 C[Se]C[C@H](N)C(=O)O C16524 [1,0,1,0,0,0|2,0,0]=4 224 B7R0.5 NCC[C@H](F)C(=O)O F19724 [1,0,1,0,0,0|2,0,0]=4 225 B7R0.5 NCC[C@H](N)C(=O)O F10323 [1,0,1,0,0,0|2,0,0]=4 226 B7R0.15 CCC(CC)C(N)=O AC2944 [1,0,1,0,0,0|1,0,0]=3 227 B7R0.15 CC[C@@H](CN)C(=O)O 97589 [1,0,1,0,0,0|1,0,0]=3 228 B7R0.15 COC(OC)C(=O)O AT19758 [1,0,1,0,0,0|2,0,0]=4 229 B7R0.15 NC[C@@H](CO)C(=O)O FD10273 [1,0,1,0,0,0|2,0,0]=4 230 B7R1.3 Br[C@H]1CCCNC1 C14028 [2,0,0,0,0,0|2,0,0]=4 231 B7R1.3 C=C1CCCNC1 W15931 [2,0,0,0,0,0|1,0,1]=4 232 B7R1.3 C=C1CCNCC1 33821 [2,0,0,0,0,0|1,0,1]=4 233 B7R1.3 C[C@H]1CCCCN1 N14212 [2,0,0,0,0,0|1,0,1]=4 234 B7R1.3 C[C@H]1CCCNC1 F14484 [2,0,0,0,0,0|1,0,1]=4 235 B7R1.3 N[C@H]1CCCOC1 F31015 [2,0,0,0,0,0|2,0,0]=4 236 B7R1.3 N[C@H]1CCCOC1 P11042 [2,0,0,0,0,0|2,0,0]=4 237 B7R1.3 O=S1CCOCC1 A51207 [2,0,0,0,0,0|2,0,0]=4 238 B7R1.3 S=C1CCCCC1 N16924 [2,0,0,0,0,0|0,1,1]=4 239 B9R0.1 CC[C@H](C)OCCC(C)=O T71083 [0,1,1,0,0,0|2,0,0]=4 240 B9R0.2 CNCCCCCC(=O)O AT21580 [0,1,1,0,0,0|0,0,0]=2 241 B9R0.2 NCCCCCCC(N)=O AC7480 [0,1,1,0,0,0|1,0,0]=3 242 B9R0.2 [N-]=[N+]=NCCCCC(=O)O D88530 [0,1,1,0,0,0|2,0,0]=4 243 B9R0.4 CCCC[C@H](N)CC(=O)O N14199 [0,1,1,0,0,0|0,0,0]=2 244 B9R0.4 CCCC[C@H](N)CC(=O)O N14200 [0,1,1,0,0,0|0,0,0]=2 245 B9R0.46 CCCCCC[C@H](O)CO C16570 [0,1,1,0,0,0|0,0,2]=4 246 B9R0.46 COC(=O)COCCCO 56926 [0,1,1,0,0,0|2,0,0]=4 247 B9R0.46 COCCCCC(=O)OC AC9127 [0,1,1,0,0,0|1,0,0]=3 248 B9R0.47 CCCCCC(=O)C(=O)O A11260 [0,1,1,0,0,0|0,0,1]=3 249 B9R0.47 NCCCC[C@H]([15NH2])C(=O)O D98677 [0,1,1,0,0,0|1,0,0]=3 250 B9R0.55 O=C(O)CCCC[13C](=O)O D98793 [0,1,1,0,0,0|1,0,1]=4 251 B9R0.6 CCC[C@H](N)C(O)C(=O)O 81432 [0,1,1,0,0,0|1,0,0]=3 252 B9R0.13 CCCC[C@@H](CO)C(=O)O 62404 [0,1,1,0,0,0|0,0,0]=2 253 B9R0.13 CCCC[C@H](NC)C(=O)O AT16731 [0,1,1,0,0,0|0,0,0]=2 254 B9R0.13 CCCC[C@H](NC)C(=O)O C15089 [0,1,1,0,0,0|0,0,0]=2 255 B9R0.13 CCCC[C@H](OC)C(=O)O AC6557 [0,1,1,0,0,0|0,0,0]=2 256 B9R0.42 COC(=O)C[C@H](C)C(=O)O FD10315 [0,1,1,0,0,0|1,0,1]=4 257 B9R0.51 CCCC[C@](C)(O)C(=O)O D86692 [0,1,1,0,0,0|0,0,0]=2 258 B9R0.51 [2H]C([2H])(CCCC)C(=O)O D97875 [0,1,1,0,0,0|1,0,0]=3 259 B9R0.51 [2H][C@](N)(CCSC)C(=O)O D97873 [0,1,1,0,0,0|2,0,0]=4 260 B9R0.15 CCC[C@H](OCC)C(=O)O AC7206 [0,1,1,0,0,0|0,0,0]=2 261 B9R0.15 CCOC(OCC)C(=O)O AT19756 [0,1,1,0,0,0|1,0,0]=3 262 B9R0.15 COCC(COC)C(=O)O C16755 [0,1,1,0,0,0|1,0,0]=3 263 B9R0.33 CCC[C@H](C(=O)O)C(C)C F19287 [0,1,1,0,0,0|0,0,0]=2 264 B9R0.33 CCO[C@H](C(=O)O)C(C)C AC6941 [0,1,1,0,0,0|1,0,0]=3 265 B9R0.39 CC(C)C[C@@H](CN)C(=O)O 28116 [0,1,1,0,0,0|1,0,0]=3 266 B9R0.39 CN[C@@H](CC(C)C)C(=O)O AT23631 [0,1,1,0,0,0|1,0,0]=3 267 B9R0.74 CN[C@@](C)(COC)C(=O)O AT12804 [0,1,1,0,0,0|2,0,0]=4 268 B9R1.1 CC1CCC(CBr)CC1 72498 [1,1,0,0,0,0|1,0,1]=4 269 B9R1.1 CC1CCC(CCl)CC1 AC2846 [1,1,0,0,0,0|1,0,1]=4 270 B9R1.1 CC[C@H]1CC[C@H](N)CC1 AT14260 [1,1,0,0,0,0|1,0,1]=4 271 B9R1.1 C[C@H]1CCC(CO)CN1 93005 [1,1,0,0,0,0|1,0,1]=4 272 B9R1.1 N#CC1CCC(N)CC1 F18888 [1,1,0,0,0,0|1,0,1]=4 273 B9R1.1 NCC1CCC(F)CC1 66265 [1,1,0,0,0,0|1,0,1]=4 274 B9R1.1 NCC1CCC(O)CC1 C77951 [1,1,0,0,0,0|1,0,1]=4 275 B9R1.2 CC1CCCC(CO)N1 P11618 [1,1,0,0,0,0|1,0,1]=4 276 B9R1.2 CC1CNCC(CO)C1 P19048 [1,1,0,0,0,0|1,0,1]=4 277 B9R1.2 CN1CCC[C@H](C=O)C1 I11140 [1,1,0,0,0,0|1,0,0]=3 278 B9R1.2 CN[C@@H]1CCC[C@H](O)C1 H11103 [1,1,0,0,0,0|2,0,0]=4 279 B9R1.8 C=CC[C@H]1CCCCN1 A51152 [1,1,0,0,0,0|2,0,0]=4 280 B9R1.8 CNCC1CCCCC1 P19116 [1,1,0,0,0,0|1,0,1]=4 281 B9R1.8 COC[C@H]1CCCCN1 31181 [1,1,0,0,0,0|1,0,1]=4 282 B9R1.8 COC[C@H]1CCCCN1 Y11003 [1,1,0,0,0,0|1,0,1]=4 283 B9R1.8 COC[C@H]1CCCNC1 C78400 [1,1,0,0,0,0|1,0,1]=4 284 B9R1.8 N#CC=C1CCCCC1 F51913 [1,1,0,0,0,0|1,0,1]=4 285 B9R1.8 NNCC1CCCCC1 P11239 [1,1,0,0,0,0|1,0,1]=4 286 B9R1.8 O=CCN1CCOCC1 F17543 [1,1,0,0,0,0|2,0,0]=4 287 B9R1.8 OCC[C@H]1CCCOC1 AT23679 [1,1,0,0,0,0|1,0,1]=4 288 B9R1.15 CCC1CCCCC1C T72380 [1,1,0,0,0,0|1,0,1]=4 289 B9R1.15 CCC1CCCCC1O D90497 [1,1,0,0,0,0|1,0,1]=4 290 B9R1.15 COC1CCCCC1N C77572 [1,1,0,0,0,0|2,0,0]=4 291 B9R1.15 CO[C@H]1CCCC[C@@H]1N 89668 [1,1,0,0,0,0|2,0,0]=4 292 B9R1.15 CO[C@H]1CCCC[C@@H]1O A12017 [1,1,0,0,0,0|2,0,0]=4 293 B9R1.15 N#CC1CCCCC1N AT21039 [1,1,0,0,0,0|1,0,1]=4 294 B9R1.15 NCC1CCCCC1O C77667 [1,1,0,0,0,0|1,0,1]=4 295 B9R1.15 N[C@H]1CCCC[C@@H]1CO C80022 [1,1,0,0,0,0|0,0,1]=3 296 B9R1.15 O=C1CCCC[C@@H]1CO F18113 [1,1,0,0,0,0|0,0,2]=4 297 B9R1.15 O=C[C@@H]1CCCCC1=O AT23975 [1,1,0,0,0,0|0,0,1]=3 298 B9R1.15 OCC1CCNCC1O 33470 [1,1,0,0,0,0|1,0,1]=4 299 B9R1.15 OCC1CNCCC1O 33707 [1,1,0,0,0,0|1,0,1]=4 300 B9R1.15 OC[C@@H]1CCNC[C@@H]1O P17708 [1,1,0,0,0,0|1,0,1]=4 301 B9R1.15 OC[C@H]1CCNC[C@@H]1O P12895 [1,1,0,0,0,0|1,0,1]=4 302 B9R1.118 CC1(C=O)CCSCC1 AT10702 [1,1,0,0,0,0|1,0,0]=3 303 B9R1.118 CC1(CN)CCCCC1 71856 [1,1,0,0,0,0|1,0,1]=4 304 B9R1.118 CC1(CO)CCNCC1 53326 [1,1,0,0,0,0|1,0,1]=4 305 B9R1.118 C[C@]1(CO)CCCNC1 55565 [1,1,0,0,0,0|1,0,1]=4 306 B9R1.118 C[C@]1(CO)CCCNC1 55575 [1,1,0,0,0,0|1,0,1]=4 307 B9R1.118 FC1(CBr)CCCCC1 C93351 [1,1,0,0,0,0|1,0,1]=4 308 B9R1.118 NC1(CO)CCCCC1 AT12680 [1,1,0,0,0,0|0,0,1]=3 309 B9R1.118 NC1(CO)CCCCC1 AT12681 [1,1,0,0,0,0|0,0,1]=3 310 B9R1.118 NC1(CO)CCCCC1 D74962 [1,1,0,0,0,0|0,0,1]=3 311 B9R1.118 NC1(CO)CCNCC1 D75162 [1,1,0,0,0,0|1,0,1]=4 312 B9R1.118 NCC1(N)CCCCC1 D73325 [1,1,0,0,0,0|1,0,1]=4 313 B9R1.118 NCC1(O)CCCCC1 C78197 [1,1,0,0,0,0|1,0,1]=4 314 B9R1.118 OCC1(F)CCCCC1 26699 [1,1,0,0,0,0|0,0,1]=3 315 B9R1.118 OCC1(F)CCNCC1 P17075 [1,1,0,0,0,0|1,0,1]=4 316 B9R1.11 C#CC(=O)C1CCCC1 88682 [0,1,0,0,1,0|1,0,0]=3 317 B9R1.11 C=C[C@@H](O)C1CCCC1 F52271 [0,1,0,0,1,0|1,0,1]=4 318 B9R1.11 CCC(=O)C1CCCC1 F53464 [0,1,0,0,1,0|1,0,0]=3 319 B9R1.11 CNC(=O)[C@@H]1CCCN1 C78390 [0,1,0,0,1,0|2,0,0]=4 320 B9R1.11 CNC(=O)[C@@H]1CCCN1 C78509 [0,1,0,0,1,0|2,0,0]=4 321 B9R1.11 CNC(=O)[C@H]1CCNC1 AT18760 [0,1,0,0,1,0|2,0,0]=4 322 B9R1.11 CNC(=O)[C@H]1CCNC1 AT18761 [0,1,0,0,1,0|2,0,0]=4 323 B9R1.11 COC(=O)[C@@H]1CSCN1 D74074 [0,1,0,0,1,0|2,0,0]=4 324 B9R1.11 COC(=O)[C@H]1CCNC1 C15796 [0,1,0,0,1,0|1,0,0]=3 325 B9R1.11 NC[C@H](O)C1CCCC1 W15961 [0,1,0,0,1,0|1,0,1]=4 326 B9R1.11 N[C@@H](CO)C1CCCC1 N11290 [0,1,0,0,1,0|1,0,1]=4 327 B9R1.11 N[C@@H](CO)C1CCCC1 N11334 [0,1,0,0,1,0|1,0,1]=4 328 B9R1.11 O=C(CBr)N1CCCC1 T71443 [0,1,0,0,1,0|2,0,0]=4 329 B9R1.19 NS(=O)(=O)C1CCCC1 C77560 [0,1,0,0,1,0|1,0,1]=4 330 B9R1.19 O=S(=O)([O-])C1CCCC1 AC6957 [0,1,0,0,1,0|1,0,1]=4 331 B9R1.35 CC(=O)N1CC[C@H](N)C1 C72166 [0,1,0,0,1,0|2,0,0]=4 332 B9R1.35 CC(=O)[C@H]1CCC(=O)C1 F53665 [0,1,0,0,1,0|1,0,1]=4 333 B9R1.35 CN1CC[C@H](C(=O)O)C1 P14492 [0,1,0,0,1,0|1,0,0]=3 334 B9R1.35 C[C@H]1CC[C@@H](C(=O)O)N1 AT11433 [0,1,0,0,1,0|1,0,0]=3 335 B9R1.35 NC1CNC(C(=O)O)C1 F19644 [0,1,0,0,1,0|1,0,0]=3 336 B9R1.35 N[C@@H]1C=C[C@H](C(=O)O)C1 86111 [0,1,0,0,1,0|0,0,2]=4 337 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 AC1030 [0,1,0,0,1,0|0,0,0]=2 338 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 S11069 [0,1,0,0,1,0|0,0,0]=2 339 B9R1.35 N[C@H]1CN[C@H](C(=O)O)C1 C15010 [0,1,0,0,1,0|1,0,0]=3 340 B9R1.35 N[C@H]1CN[C@H](C(=O)O)C1 C74364 [0,1,0,0,1,0|1,0,0]=3 341 B9R1.35 O=C(O)C1CC(F)CN1 39473 [0,1,0,0,1,0|1,0,0]=3 342 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 P13403 [0,1,0,0,1,0|1,0,0]=3 343 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 P14546 [0,1,0,0,1,0|1,0,0]=3 344 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 P10236 [0,1,0,0,1,0|1,0,0]=3 345 B9R1.35 O=C(O)[C@@H]1C[C@H](S)CN1 P11252 [0,1,0,0,1,0|1,0,0]=3 346 B9R1.35 O=C1C[C@H](C(=O)O)CN1 P15832 [0,1,0,0,1,0|1,0,1]=4 347 B9R1.41 CC(=O)[C@@H]1CCCC1=O F17111 [0,1,0,0,1,0|1,0,1]=4 348 B9R1.41 C[C@@H]1OCC[C@@H]1C(=O)O W10213 [0,1,0,0,1,0|1,0,0]=3 349 B9R1.41 C[C@H]1CNC[C@@H]1C(=O)O AT17205 [0,1,0,0,1,0|1,0,0]=3 350 B9R1.41 NC(=O)[C@H]1NCC[C@@H]1O E71624 [0,1,0,0,1,0|2,0,0]=4 351 B9R1.41 NC(=O)[C@H]1NCC[C@@H]1O W15326 [0,1,0,0,1,0|2,0,0]=4 352 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O AT13997 [0,1,0,0,1,0|0,0,0]=2 353 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O AT13975 [0,1,0,0,1,0|0,0,0]=2 354 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F D97117 [0,1,0,0,1,0|1,0,0]=3 355 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O P14778 [0,1,0,0,1,0|1,0,0]=3 356 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O P16430 [0,1,0,0,1,0|1,0,0]=3 357 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O P14685 [0,1,0,0,1,0|1,0,0]=3 358 B9R1.163 CC1(C(=O)O)CSSC1 C15279 [0,1,0,0,1,0|2,0,0]=4 359 B9R1.163 C[C@]1(C(=O)O)CCNC1 D72045 [0,1,0,0,1,0|1,0,0]=3 360 B9R1.163 N[C@@]1(C(=O)O)CCNC1 F19622 [0,1,0,0,1,0|1,0,0]=3 361 B9R1.163 O=C(O)[C@]1(F)CCNC1 P12597 [0,1,0,0,1,0|1,0,0]=3 362 B9R1.163 O=C(O)[C@]1(O)CCNC1 32143 [0,1,0,0,1,0|1,0,0]=3 363 B9R1.163 O=C(O)[C@]1(O)CCOC1 F53622 [0,1,0,0,1,0|1,0,0]=3 364 B9R1.163 [2H][C@@]1(C(=O)O)CCCN1 D98940 [0,1,0,0,1,0|1,0,0]=3 365 B11R1.20 CN1CCC(CC(=O)O)CC1 C78395 [0,1,0,0,0,1|1,0,0]=3 366 B11R1.20 NC1CCC(CC(=O)O)CC1 D76125 [0,1,0,0,0,1|0,0,0]=2 367 B11R1.20 O=C(O)CN1CCC(O)CC1 C80012 [0,1,0,0,0,1|1,0,0]=3 368 B11R1.20 O=C(O)C[C@H]1CC[C@@H](O)CC1 A11165 [0,1,0,0,0,1|0,0,0]=2 369 B11R1.36 CC(=O)N(C)[C@H]1CCCNC1 P10898 [0,1,0,0,0,1|2,0,0]=4 370 B11R1.36 CC(=O)N(C)[C@H]1CCCNC1 P12901 [0,1,0,0,0,1|2,0,0]=4 371 B11R1.36 C[C@@H](C(=O)O)N1CCSCC1 AT25282 [0,1,0,0,0,1|2,0,0]=4 372 B11R1.40 CNC(=O)NC1CCNCC1 AT22991 [0,1,0,0,0,1|2,0,0]=4 373 B11R1.40 CNC(=O)OC1CCNCC1 AT22998 [0,1,0,0,0,1|2,0,0]=4 374 B11R1.40 COC(=O)C[C@H]1CCCNC1 AB9802 [0,1,0,0,0,1|1,0,0]=3 375 B11R1.40 COC(=O)C[C@H]1CNCCN1 D79031 [0,1,0,0,0,1|2,0,0]=4 376 B11R1.40 COC(=O)C[C@H]1CNCCN1 S11350 [0,1,0,0,0,1|2,0,0]=4 377 B11R1.40 COC(=O)C[C@H]1CNCCO1 F17624 [0,1,0,0,0,1|2,0,0]=4 378 B11R1.40 COC(=O)C[C@H]1CNCCO1 F18995 [0,1,0,0,0,1|2,0,0]=4 379 B11R1.40 COC(=O)C[C@H]1CNCCO1 F18996 [0,1,0,0,0,1|2,0,0]=4 380 B11R1.40 COC(=O)C[C@H]1CNCCO1 F18999 [0,1,0,0,0,1|2,0,0]=4 381 B11R1.40 COC(=O)C[C@H]1COCCN1 73924 [0,1,0,0,0,1|2,0,0]=4 382 B11R1.40 COC(=O)C[C@H]1COCCN1 F14597 [0,1,0,0,0,1|2,0,0]=4 383 B11R1.40 COC(=O)C[C@H]1COCCO1 AT10081 [0,1,0,0,0,1|2,0,0]=4 384 B11R1.40 N[C@H](CO)CC1CCCCC1 C15270 [0,1,0,0,0,1|1,0,1]=4 385 B11R1.40 N[C@H](CO)CC1CCCCC1 C72250 [0,1,0,0,0,1|1,0,1]=4 386 B11R1.40 N[C@H](CO)CC1CCCCC1 C77724 [0,1,0,0,0,1|1,0,1]=4 387 B11R1.86 C[C@H]1CNCCN1CC(=O)O AC2825 [0,1,0,0,0,1|2,0,0]=4 388 B11R1.157 O=C(O)C[C@H]1CCCC(=O)C1 97098 [0,1,0,0,0,1|0,0,1]=3 389 B11R1.157 O=C(O)C[C@H]1CCCC(=O)C1 97101 [0,1,0,0,0,1|0,0,1]=3 390 B11R1.928 NC1(CC(=O)O)CCNCC1 W15976 [0,1,0,0,0,1|1,0,0]=3 391 B11R1.737 O=C(O)C1(O)CCCCCC1 D87048 [0,1,0,0,0,1|0,0,0]=2 392 B11R1.852 COC(=O)[C@@H]1CCCCCN1 I11326 [0,1,0,0,0,1|0,0,0]=2 393 B11R1.852 COC(=O)[C@@H]1CNCCCO1 AC5424 [0,1,0,0,0,1|1,0,0]=3 394 B11R1.852 COC(=O)[C@H]1CCCNCC1 P11164 [0,1,0,0,0,1|0,0,0]=2 395 B11R1.3 CC(=O)N1CCC(CN)CC1 C77972 [0,2,0,0,0,0|2,0,0]=4 396 B11R1.3 N#CC1CCC(C(=O)O)CC1 D78745 [0,2,0,0,0,0|0,0,0]=2 397 B11R1.3 NC[C@@H]1CC=C(C(=O)O)CC1 D84118 [0,2,0,0,0,0|0,0,2]=4 398 B11R1.3 NC[C@@H]1CC=C(C(=O)O)CC1 F20727 [0,2,0,0,0,0|0,0,2]=4 399 B11R1.3 NC[C@H]1CC[C@H](C(=O)O)CC1 A11785 [0,2,0,0,0,0|0,0,0]=2 400 B11R1.19 CC(C)(O)C1CCC(O)CC1 AC7150 [0,2,0,0,0,0|1,0,1]=4 401 B11R1.19 CC1CCC(S(N)(=O)=O)CC1 AT20824 [0,2,0,0,0,0|1,0,1]=4 402 B11R1.21 CC1CC(C(=O)O)CCC1=O 33373 [0,2,0,0,0,0|0,0,1]=3 403 B11R1.22 C=C1CCC(C(=O)OC)CC1 AT23745 [0,2,0,0,0,0|0,0,1]=3 404 B11R1.22 CN1CCC(C(=O)NN)CC1 AC4733 [0,2,0,0,0,0|2,0,0]=4 405 B11R1.22 CNC(=O)N1CCC(N)CC1 AT22995 [0,2,0,0,0,0|2,0,0]=4 406 B11R1.22 CNC(=O)[C@H]1CC[C@H](N)CC1 D96644 [0,2,0,0,0,0|1,0,0]=3 407 B11R1.22 COC(=O)C1CCC(O)CN1 F30865 [0,2,0,0,0,0|1,0,0]=3 408 B11R1.22 COC(=O)N1CCC(N)CC1 AT23027 [0,2,0,0,0,0|1,0,0]=3 409 B11R1.22 COC(=O)[C@H]1CC[C@@H](C)NC1 70015 [0,2,0,0,0,0|1,0,0]=3 410 B11R1.22 COC(=O)[C@H]1CC[C@@H](C)NC1 P14642 [0,2,0,0,0,0|1,0,0]=3 411 B11R1.22 COC(=O)[C@H]1CC[C@@H](C)NC1 P19193 [0,2,0,0,0,0|1,0,0]=3 412 B11R1.22 COC(=O)[C@H]1CC[C@H](C)NC1 W19558 [0,2,0,0,0,0|1,0,0]=3 413 B11R1.22 NC1CCN(C(=O)CO)CC1 F50460 [0,2,0,0,0,0|1,0,0]=3 414 B11R1.166 CC1CC(=O)CCC1C(=O)O AT19934 [0,2,0,0,0,0|0,0,1]=3 415 B11R1.220 CC1CCC(N)(C(=O)O)CC1 AC8412 [0,2,0,0,0,0|0,0,0]=2 416 B11R1.220 CN1CCC(C)(C(=O)O)CC1 51163 [0,2,0,0,0,0|1,0,0]=3 417 B11R1.220 CN1CCC(N)(C(N)=O)CC1 AB10354 [0,2,0,0,0,0|2,0,0]=4 418 B11R1.220 C[C@]1(C(N)=O)CC[C@@H](N)CC1 E71711 [0,2,0,0,0,0|1,0,0]=3 419 B11R1.727 CC1(C)CN[C@H](C(=O)O)CO1 60617 [0,2,0,0,0,0|2,0,0]=4 420 B11R1.727 CC1(C)CN[C@H](C(=O)O)CO1 F12508 [0,2,0,0,0,0|2,0,0]=4 421 B11R1.727 O=C(Cl)C1CCC(F)(F)CC1 AC8973 [0,2,0,0,0,0|1,0,0]=3 422 B11R1.16 CCCC(=O)C1CCNCC1 F16039 [0,2,0,0,0,0|2,0,0]=4 423 B11R1.16 CCOC(=O)[C@@H]1CNCCS1 H11960 [0,2,0,0,0,0|2,0,0]=4 424 B11R1.16 CCOC(=O)[C@@H]1COCCN1 77675 [0,2,0,0,0,0|2,0,0]=4 425 B11R1.16 CCOC(=O)[C@H]1CCCNC1 56329 [0,2,0,0,0,0|1,0,0]=3 426 B11R1.16 COCC(=O)N1CCNCC1 P10687 [0,2,0,0,0,0|2,0,0]=4 427 B11R1.23 COC(=O)C1CC(O)CCN1 F30520 [0,2,0,0,0,0|1,0,0]=3 428 B11R1.23 COC(=O)C1CCNC(C)C1 92946 [0,2,0,0,0,0|1,0,0]=3 429 B11R1.23 COC(=O)C1CCNC(C)C1 F20889 [0,2,0,0,0,0|1,0,0]=3 430 B11R1.23 COC(=O)C1CNCC(F)C1 92537 [0,2,0,0,0,0|1,0,0]=3 431 B11R1.23 COC(=O)[C@@H]1CCCC(=O)N1 C92643 [0,2,0,0,0,0|1,0,1]=4 432 B11R1.23 COC(=O)[C@@H]1CCCC(=O)N1 C92649 [0,2,0,0,0,0|1,0,1]=4 433 B11R1.23 COC(=O)[C@@H]1CCC[C@H](N)C1 55807 [0,2,0,0,0,0|0,0,0]=2 434 B11R1.23 COC(=O)[C@@H]1CCC[C@H](N)C1 D96778 [0,2,0,0,0,0|0,0,0]=2 435 B11R1.23 COC(=O)[C@@H]1CN(C)CCO1 F14193 [0,2,0,0,0,0|2,0,0]=4 436 B11R1.23 COC(=O)[C@@H]1C[C@@H](O)CCN1 AT22151 [0,2,0,0,0,0|1,0,0]=3 437 B11R1.23 COC(=O)[C@@H]1C[C@H](O)CCN1 E72332 [0,2,0,0,0,0|1,0,0]=3 438 B11R1.23 COC(=O)[C@H]1CCC[C@H](N)C1 P17832 [0,2,0,0,0,0|0,0,0]=2 439 B11R1.222 COC(=O)C1CCCCC1N F52864 [0,2,0,0,0,0|0,0,0]=2 440 B11R1.222 COC(=O)C1CCCCC1O D76886 [0,2,0,0,0,0|0,0,0]=2 441 B11R1.222 COC(=O)C1CCCNC1C F30030 [0,2,0,0,0,0|1,0,0]=3 442 B11R1.222 COC(=O)C1COCCC1N D87017 [0,2,0,0,0,0|1,0,0]=3 443 B11R1.222 COC(=O)C1NCCCC1O AC4816 [0,2,0,0,0,0|1,0,0]=3 444 B11R1.222 COC(=O)N1CCNC[C@@H]1C AT22989 [0,2,0,0,0,0|2,0,0]=4 445 B11R1.222 COC(=O)[C@@H]1CNCCC1=O F11806 [0,2,0,0,0,0|1,0,1]=4 446 B11R1.222 COC(=O)[C@H]1CCCC[C@@H]1N 20978 [0,2,0,0,0,0|0,0,0]=2 447 B11R1.222 COC(=O)[C@H]1CCCN[C@H]1C AC4979 [0,2,0,0,0,0|1,0,0]=3 448 B11R1.878 COC(=O)C1(N)CCNCC1 AC4598 [0,2,0,0,0,0|1,0,0]=3 449 B11R1.878 COC(=O)[C@@]1(C)CCCOC1 P19960 [0,2,0,0,0,0|1,0,0]=3 450 B11R1.878 COC(=O)[C@]1(C)COCCN1 83622 [0,2,0,0,0,0|2,0,0]=4 451 B11R1.878 COC(=O)[C@]1(F)CCCNC1 AT26769 [0,2,0,0,0,0|1,0,0]=3 452 B11R1.159 NC(=O)C1CCCC(Br)C1=O F16543 [0,2,0,0,0,0|1,0,1]=4 453 B11R1.167 CN1CC[C@H](O)[C@@H](C(=O)O)C1 AT24337 [0,2,0,0,0,0|1,0,0]=3 454 B11R1.167 CN1CC[C@H](O)[C@@H](C(=O)O)C1 AT24773 [0,2,0,0,0,0|1,0,0]=3 455 B11R1.167 CN1CC[C@H](O)[C@H](C(=O)O)C1 AT24336 [0,2,0,0,0,0|1,0,0]=3 456 B11R1.520 O=C(O)[C@@]1(F)CCCC=C1F 73055 [0,2,0,0,0,0|0,0,2]=4 457 B11R1.74 CC1CC(C)CC(C(=O)O)C1 P19153 [0,2,0,0,0,0|0,0,0]=2 458 B11R1.74 C[C@H]1CN(C)C[C@@H](C(=O)O)O1 AT13250 [0,2,0,0,0,0|2,0,0]=4 459 B11R1.266 CN[C@H]1CCCN(C(C)=O)C1 AC6997 [0,2,0,0,0,0|2,0,0]=4 460 B11R1.730 CC1(C)C[C@@H](C(=O)O)CCO1 65005 [0,2,0,0,0,0|1,0,0]=3 461 B11R1.730 CC1(C)C[C@@H](C(=O)O)CCS1 C93276 [0,2,0,0,0,0|1,0,0]=3 462 B11R1.730 O=C(O)[C@@H]1CC(F)(F)CCN1 D79490 [0,2,0,0,0,0|1,0,0]=3 463 B11R1.730 O=C(O)[C@H]1CCCS(=O)(=O)C1 D77940 [0,2,0,0,0,0|1,0,0]=3 464 B11R1.1074 CCC1(C(=O)O)SCCCS1 E71656 [0,2,0,0,0,0|2,0,0]=4 465 B11R1.1074 NCC1(C(N)=O)CCOCC1 72095 [0,2,0,0,0,0|2,0,0]=4 466 B9R1.7 CNC[C@H]1CCC(=O)N1 AT13580 [0,0,1,1,0,0|2,0,0]=4 467 B9R1.7 O=C1CC[C@H](CCO)N1 AT10892 [0,0,1,1,0,0|2,0,0]=4 468 B9R1.13 CC(=O)CC1CCCC1 N12760 [0,0,1,1,0,0|1,0,0]=3 469 B9R1.13 CC(=O)CN1CCCC1 F50500 [0,0,1,1,0,0|2,0,0]=4 470 B9R1.13 O=C(O)CC1SCCS1 AT15646 [0,0,1,1,0,0|2,0,0]=4 471 B9R1.13 O=C(O)C[C@H]1CCNC1 P11648 [0,0,1,1,0,0|1,0,0]=3 472 B9R1.13 OB(O)CC1CCCC1 A51283 [0,0,1,1,0,0|1,0,1]=4 473 B9R1.84 O=[N+]([O-])CCC1CCC1 FD10612 [0,0,1,1,0,0|1,0,1]=4 474 B9R1.85 O=C(O)CCNC1CC1 AC5323 [0,0,1,1,0,0|1,0,0]=3 475 B9R1.85 O=C(O)COCC1CC1 12497 [0,0,1,1,0,0|1,0,0]=3 476 B9R1.96 CCC1CN[C@@H]1C(=O)O P15219 [0,0,1,1,0,0|1,0,0]=3 477 B9R1.5 C[C@@H]1OCCCNC1=O 73063 [0,0,1,1,0,0|2,0,0]=4 478 B9R1.5 O=C1CCCCC[C@@H]1Br AT20921 [0,0,1,1,0,0|2,0,0]=4 479 B9R1.5 O=C1CCCCC[C@@H]1Cl T71318 [0,0,1,1,0,0|2,0,0]=4 480 B9R1.5 O=C1NCCCC[C@@H]1Br F50955 [0,0,1,1,0,0|2,0,0]=4 481 B9R1.23 CN1C[C@H](CBr)OC1=O W13271 [0,0,1,1,0,0|2,0,0]=4 482 B9R1.23 CN1C[C@H](CBr)OC1=O W13272 [0,0,1,1,0,0|2,0,0]=4 483 B9R1.110 C[C@@H](C(=O)O)N1CCC1 AT24076 [0,0,1,1,0,0|1,0,0]=3 484 B9R1.110 N[C@H](C(=O)O)C1CCC1 F51887 [0,0,1,1,0,0|1,0,0]=3 485 B9R1.110 O=C(O)[C@@H](Br)C1CCC1 D79277 [0,0,1,1,0,0|1,0,0]=3 486 B9R1.33 COC[C@H]1CCNC1=O AT19084 [0,0,1,1,0,0|2,0,0]=4 487 B9R1.33 O=C1NCC[C@@H]1CCO AT19068 [0,0,1,1,0,0|2,0,0]=4 488 B9R1.33 O=C1OCCN1CCBr AT18747 [0,0,1,1,0,0|2,0,0]=4 489 B9R1.119 O=C(O)C1(CBr)CCC1 F31329 [0,0,1,1,0,0|1,0,0]=3 490 B9R1.119 O=C(O)C1(CO)COC1 AC1691 [0,0,1,1,0,0|2,0,0]=4 491 B9R1.179 C#CCC1(C(=O)O)CC1 AT12379 [0,0,1,1,0,0|0,0,2]=4 492 B9R1.179 O=C(O)C1(CCO)CC1 33437 [0,0,1,1,0,0|1,0,0]=3 493 B9R2.49 C1CC2CCC1CN2 P11101 [1,0,0,1,0,0|1,0,1]=4 494 B9R2.50 C1CCC2NCC2C1 P11106 [1,0,0,1,0,0|1,0,1]=4 495 B9R2.56 OCC12CCNC1C2 91927 [1,0,0,1,0,0|1,0,1]=4 496 B9R2.56 OC[C@]12CNC[C@H]1C2 C90730 [1,0,0,1,0,0|1,0,1]=4 497 B9R2.65 O=CC1C2COCC12 69810 [1,0,0,1,0,0|1,0,0]=3 498 B9R2.65 OCC1C2CNCC12 D87850 [1,0,0,1,0,0|1,0,1]=4 499 B9R2.7 O=C1N[C@H]2CCC[C@@H]12 F12974 [0,0,0,1,1,0|1,0,0]=3 500 B9R2.39 CC1=CC2CCC1C2 75573 [0,0,0,1,1,0|2,0,0]=4 501 B9R2.39 O=C1OC2CCC1C2 P17974 [0,0,0,1,1,0|0,0,0]=2 502 B11R2.10 O=C1C[C@@H]2CCCC[C@@H]2N1 AT25973 [0,0,0,1,0,1|1,0,0]=3 503 B11R2.703 O=C1CC2(CCOCC2)N1 AT19047 [0,0,0,1,0,1|2,0,0]=4 504 B11R2.48 O=C1N[C@H]2CC[C@@H]1CNC2 AT25021 [0,0,0,1,0,1|1,0,0]=3 505 B11R2.1 O=C1NCC2CNCCC12 P13958 [0,1,0,1,0,0|2,0,0]=4 506 B11R2.1 O=C1OC[C@H]2CCCCN12 D87354 [0,1,0,1,0,0|1,0,0]=3 507 B11R2.1 O=C1OC[C@H]2CNCCN12 W10095 [0,1,0,1,0,0|2,0,0]=4 508 B11R2.12 O=C1CCC12CCOCC2 84581 [0,1,0,1,0,0|2,0,0]=4 509 B11R2.357 O=C1CCN2CCCC1C2 AT13094 [0,1,0,1,0,0|2,0,0]=4 510 B11R2.367 C=C1C(=O)C2CCN1CC2 F50825 [0,1,0,1,0,0|2,0,0]=4 511 B11R2.905 COC(=O)[C@@H]1[C@H]2CNC[C@H]21 P11054 [0,1,0,1,0,0|1,0,0]=3 512 B11R2.905 COC(=O)[C@H]1[C@H]2CNC[C@H]21 AT16122 [0,1,0,1,0,0|1,0,0]=3 513 B11R2.914 COC(=O)[C@@H]1C[C@@H]2O[C@@H]2C1 F16318 [0,1,0,1,0,0|1,0,0]=3 514 B11R2.845 CC(=O)C1CC2CCC1O2 F50487 [0,1,0,1,0,0|1,0,0]=3 515 B11R2.845 O=C(O)C1CC2CCC1O2 F51361 [0,1,0,1,0,0|0,0,0]=2 516 B11R2.845 O=C(O)C1NC2CCC1C2 W14573 [0,1,0,1,0,0|1,0,0]=3 517 B11R2.845 O=C(O)N1CC2CCC1C2 F52740 [0,1,0,1,0,0|1,0,0]=3 518 B11R2.845 O=C(O)[C@H]1N[C@@H]2CC[C@H]1C2 AT22442 [0,1,0,1,0,0|1,0,0]=3 519 B7R1.1 CCC1CCCC1 T71889 [1,0,0,0,1,0|1,0,1]=4 520 B7R1.1 NOC1CCCC1 97656 [1,0,0,0,1,0|2,0,0]=4 521 B7R1.1 OC[C@H]1CCCN1 11147 [1,0,0,0,1,0|1,0,1]=4 522 B7R1.1 ONC1CCCC1 33366 [1,0,0,0,1,0|1,0,0]=3 523 B7R1.1 ONC1CCCC1 33756 [1,0,0,0,1,0|1,0,0]=3 524 B7R1.18 NC(=O)C1CNC1 E73179 [0,0,0,0,2,0|2,0,0]=4 525 B7R1.18 NC(=O)C1COC1 D86258 [0,0,0,0,2,0|2,0,0]=4 526 B7R1.18 NC(=S)C1CCC1 N12939 [0,0,0,0,2,0|1,1,0]=4 527 B9R1.89 CN[C@H]1CCCCNC1 97599 [1,0,0,0,0,1|2,0,0]=4 528 B9R1.89 CN[C@H]1CCCCNC1 97600 [1,0,0,0,0,1|2,0,0]=4 529 B9R1.89 O=CC1CCCCCC1 AT13628 [1,0,0,0,0,1|0,0,0]=2 530 B9R1.89 OC[C@H]1CCCNCC1 73020 [1,0,0,0,0,1|0,0,1]=3 531 B11R1.91 NC(=O)COC1CCNCC1 77435 [0,0,0,0,0,2|2,0,0]=4 532 B11R1.91 O=C(O)CC[C@H]1CCCCN1 70380 [0,0,0,0,0,2|1,0,0]=3 533 B11R1.91 O=C(O)CNC1CCCCC1 W15240 [0,0,0,0,0,2|0,0,0]=2 534 B11R1.91 O=C(O)\C=N\N1CCCCC1 E72490 [0,0,0,0,0,2|1,0,0]=3 535 B11R1.742 NC(=O)CN1CCCNCC1 D87056 [0,0,0,0,0,2|2,0,0]=4 536 B11R1.742 O=C(O)C[C@H]1CCCNCC1 AT11731 [0,0,0,0,0,2|0,0,0]=2