0 B8R0.1 C#CCCC(=O)CCO N11427 [0,0,0,0,0,0|2,0,2]=4 1 B8R0.1 CCCC(=O)OCCO D81566 [0,0,0,0,0,0|3,0,0]=3 2 B8R0.1 CCCC[C@H](C)CCO D93301 [0,0,0,0,0,0|3,0,1]=4 3 B8R0.1 CCC[C@H](C)CCCO A12859 [0,0,0,0,0,0|3,0,1]=4 4 B8R0.1 CCNC(=O)NCCN AR2426 [0,0,0,0,0,0|3,0,0]=3 5 B8R0.1 CCOC(=O)CCC#N 82565 [0,0,0,0,0,0|1,0,1]=2 6 B8R0.1 CCOC(=O)CCC=O AB9300 [0,0,0,0,0,0|1,0,1]=2 7 B8R0.1 CCOC(=O)CCCO C91677 [0,0,0,0,0,0|1,0,0]=1 8 B7R0.1 CCCNCCCO AB4057 [1,0,0,0,0,0|3,0,0]=4 9 B7R0.3 C#CCCC(=O)OC AT21755 [1,0,0,0,0,0|0,0,2]=3 10 B7R0.3 C=CC(=O)NCCC AB9941 [1,0,0,0,0,0|1,0,2]=4 11 B7R0.3 C=CCCC(=O)OC AT23749 [1,0,0,0,0,0|0,0,2]=3 12 B7R0.3 CCC(=O)OCCO A11774 [1,0,0,0,0,0|2,0,0]=3 13 B7R0.3 CNCCC(=O)OC AB11809 [1,0,0,0,0,0|1,0,0]=2 14 B7R0.3 COC(=O)C#CCO AB7534 [1,0,0,0,0,0|1,0,2]=4 15 B7R0.3 COC(=O)CCCI F19766 [1,0,0,0,0,0|1,0,0]=2 16 B7R0.3 COC(=O)\C=C\CCl AT12623 [1,0,0,0,0,0|1,0,2]=4 17 B7R0.3 COC(=O)\C=C\CN AT20770 [1,0,0,0,0,0|1,0,2]=4 18 B7R0.7 C=C=CC(=O)OCC T71774 [1,0,0,0,0,0|0,0,3]=4 19 B7R0.7 CCNC(=O)CCCl Y14703 [1,0,0,0,0,0|2,0,0]=3 20 B7R0.7 CCNC(=O)CNC A12930 [1,0,0,0,0,0|2,0,0]=3 21 B7R0.7 CCOC(=O)C#CBr C15771 [1,0,0,0,0,0|1,0,2]=4 22 B7R0.7 CCOP(C)OCC 28742 [1,0,0,0,0,0|3,0,0]=4 23 B7R0.7 COCC(=O)COC 36699 [1,0,0,0,0,0|3,0,0]=4 24 B9R0.4 CC(C)NC(=O)NCCN AR2165 [0,1,0,0,0,0|3,0,0]=4 25 B9R0.5 CCOC(=O)CCCC#N 84960 [0,1,0,0,0,0|0,0,1]=2 26 B9R0.5 CCOC(=O)CCCC=O N10598 [0,1,0,0,0,0|0,0,1]=2 27 B9R0.5 CCOC(=O)CCCCN 23836 [0,1,0,0,0,0|0,0,0]=1 28 B9R0.5 CCOC(=O)\C=C\CCBr I11241 [0,1,0,0,0,0|0,0,2]=3 29 B9R0.5 CCOC(=O)\C=C\CCO W16297 [0,1,0,0,0,0|0,0,2]=3 30 B9R0.18 CCCOC(C)OCCC D93053 [0,1,0,0,0,0|2,0,1]=4 31 B9R0.18 O=C(NCCCl)NCCCl W10366 [0,1,0,0,0,0|3,0,0]=4 32 B9R0.34 CCOC(=O)CC(=N)NO Y14772 [0,1,0,0,0,0|2,0,1]=4 33 B9R0.34 CCOC(=O)C[C@@H](C)CC D78451 [0,1,0,0,0,0|0,0,0]=1 34 B9R0.34 CCOC(=O)C[C@H](C)NC AC6615 [0,1,0,0,0,0|1,0,0]=2 35 B9R0.34 CCOC(=O)C[C@H](O)CCl 32733 [0,1,0,0,0,0|1,0,0]=2 36 B9R0.34 CCOC(=O)NC(=O)CCl D75421 [0,1,0,0,0,0|2,0,1]=4 37 B9R0.35 CCCN(N)C(=O)OCC W11062 [0,1,0,0,0,0|1,0,0]=2 38 B9R0.35 CCNC(=O)C(=O)OCC W18547 [0,1,0,0,0,0|1,0,1]=3 39 B9R0.35 CCOC(=O)C(=O)CC#N C75508 [0,1,0,0,0,0|1,0,2]=4 40 B9R0.48 C=C(C)CCC(=O)OCC A11234 [0,1,0,0,0,0|0,0,1]=2 41 B9R0.48 CC(C)CNC(=O)CCN D86301 [0,1,0,0,0,0|3,0,0]=4 42 B9R0.48 CCOC(=O)CC[C@H](C)Br C77584 [0,1,0,0,0,0|0,0,0]=1 43 B9R0.48 CCOC(=O)CC[N+](=O)[O-] F11926 [0,1,0,0,0,0|2,0,0]=3 44 B9R0.48 CCOC(=O)NCC(=O)O D76651 [0,1,0,0,0,0|2,0,1]=4 45 B9R0.48 CCOC(=O)OCC(C)C A12452 [0,1,0,0,0,0|1,0,0]=2 46 B9R0.48 CCOC(=O)\C=C\C(C)=O 71109 [0,1,0,0,0,0|0,0,3]=4 47 B9R0.66 CCOS(=O)(=O)CCCCl AB22521 [0,1,0,0,0,0|2,0,0]=3 48 B9R1.2 CCC1=CC(=O)CCC1 A10067 [0,0,0,1,0,0|1,0,2]=4 49 B9R1.2 CCN1CCNC(=O)C1 C76051 [0,0,0,1,0,0|2,0,0]=3 50 B9R1.2 CCN1CCNC(=O)C1 F52612 [0,0,0,1,0,0|2,0,0]=3 51 B9R1.2 CC[C@H]1CC(=O)CCO1 73975 [0,0,0,1,0,0|2,0,0]=3 52 B9R1.2 CC[C@H]1CNCC(=O)N1 D97274 [0,0,0,1,0,0|3,0,0]=4 53 B9R1.2 N#C[C@H]1CCCC(=O)C1 C73416 [0,0,0,1,0,0|2,0,1]=4 54 B9R1.2 N#C[C@H]1CCNC(=O)C1 W16380 [0,0,0,1,0,0|2,0,1]=4 55 B9R1.2 NC[C@H]1CCNC(=O)C1 37084 [0,0,0,1,0,0|2,0,0]=3 56 B9R1.2 NC[C@H]1CCNC(=O)C1 72532 [0,0,0,1,0,0|2,0,0]=3 57 B9R1.2 O=C1CCC[C@H](CO)C1 Y10198 [0,0,0,1,0,0|2,0,0]=3 58 B9R1.2 O=C1CCC[C@H](CO)N1 Y14667 [0,0,0,1,0,0|3,0,0]=4 59 B9R1.2 O=C1C[C@@H](CO)CCN1 37567 [0,0,0,1,0,0|2,0,0]=3 60 B9R1.7 CCOC1=CC(=O)CC1 W16153 [0,0,0,1,0,0|2,0,1]=4 61 B9R1.8 CCO[C@@H]1CNCCO1 Y10945 [0,0,0,1,0,0|1,0,2]=4 62 B9R1.15 CCN1CCNCC1=O W18927 [0,0,0,1,0,0|2,0,0]=3 63 B9R1.15 CC[C@@H]1NCCCC1=O 63470 [0,0,0,1,0,0|2,0,0]=3 64 B9R1.15 CO[C@H]1CCCNC1=O O11031 [0,0,0,1,0,0|3,0,0]=4 65 B9R1.15 CO[C@H]1COCCC1=O 37648 [0,0,0,1,0,0|3,0,0]=4 66 B9R1.15 OCC1=C(Br)CCCC1 AC8357 [0,0,0,1,0,0|3,0,0]=4 67 B9R1.33 NCCN1CCOC1=O C13660 [0,0,0,1,0,0|2,0,0]=3 68 B9R1.33 O=C1CCCN1CCBr C77640 [0,0,0,1,0,0|3,0,0]=4 69 B9R1.33 O=C1NCCN1CCCl 57428 [0,0,0,1,0,0|3,0,0]=4 70 B9R1.48 C[C@H]1CC(=O)NCCN1 38322 [0,0,0,1,0,0|3,0,0]=4 71 B9R1.48 C[C@H]1CCCCC(=O)N1 W19298 [0,0,0,1,0,0|1,0,0]=2 72 B9R1.49 CN1CCNC(=O)CC1 Y10078 [0,0,0,1,0,0|2,0,0]=3 73 B9R1.49 O=C1CCC[C@H](O)CN1 N10631 [0,0,0,1,0,0|3,0,0]=4 74 B9R1.50 O=C1CNCCCNC1 77720 [0,0,0,1,0,0|3,0,0]=4 75 B9R1.50 O=C1NCCCCCN1 W17640 [0,0,0,1,0,0|2,0,0]=3 76 B9R1.69 CC1CC(=O)CCC1O Y10041 [0,0,0,1,0,0|2,0,0]=3 77 B9R1.69 C[C@H]1CCC(=O)NC1=O W17200 [0,0,0,1,0,0|2,0,1]=4 78 B9R1.73 CCOC(=N)C1CCC1 C13282 [0,0,0,1,0,0|1,0,0]=2 79 B9R1.73 O=C(CCCl)N1CCC1 72124 [0,0,0,1,0,0|3,0,0]=4 80 B9R1.134 CCC[N+]1(C)CCCC1 56141 [0,0,0,1,0,0|3,0,0]=4 81 B6R0.6 CCOCCCBr A11082 [2,0,0,0,0,0|1,0,0]=3 82 B6R0.6 CCOCCON W15834 [2,0,0,0,0,0|2,0,0]=4 83 B6R0.6 CC\C=C/CCI 98107 [2,0,0,0,0,0|1,0,1]=4 84 B6R0.1 CCC[C@@H](Br)CC D78429 [2,0,0,0,0,0|1,0,1]=4 85 B6R0.1 CCNC(=O)CO 79517 [2,0,0,0,0,0|2,0,0]=4 86 B6R0.1 CNC(=O)CCN C75423 [2,0,0,0,0,0|2,0,0]=4 87 B6R0.1 CNC(=O)CCO AC6610 [2,0,0,0,0,0|2,0,0]=4 88 B6R0.1 CNC(=O)CCS A11187 [2,0,0,0,0,0|2,0,0]=4 89 B6R0.1 COC(=O)OCCl R10013 [2,0,0,0,0,0|2,0,0]=4 90 B6R0.4 C=C(C)CCCBr 71968 [2,0,0,0,0,0|2,0,0]=4 91 B6R0.4 CC(=O)CCC=O P17049 [2,0,0,0,0,0|1,0,1]=4 92 B6R0.4 CC(=O)CCCBr 25631 [2,0,0,0,0,0|1,0,0]=3 93 B6R0.4 CC(=O)OCCN W11955 [2,0,0,0,0,0|2,0,0]=4 94 B6R0.4 CCOCC(=O)O D73862 [2,0,0,0,0,0|1,0,0]=3 95 B6R0.4 NCCCC(N)=O C72206 [2,0,0,0,0,0|2,0,0]=4 96 B8R0.3 C=CC[C@H](N)C(=O)OC 50494 [1,1,0,0,0,0|0,0,2]=4 97 B8R0.3 C=CC[C@H](N)C(=O)OC 78270 [1,1,0,0,0,0|0,0,2]=4 98 B8R0.3 CCCC(=O)C(=O)OC T72754 [1,1,0,0,0,0|0,0,1]=3 99 B8R0.3 COC(=O)[C@@H](N)CCBr 52036 [1,1,0,0,0,0|1,0,0]=3 100 B8R0.3 COC[C@H](N)C(=O)OC C73433 [1,1,0,0,0,0|1,0,0]=3 101 B8R0.8 CCCCC(=O)[C@H](C)N C72970 [1,1,0,0,0,0|0,0,0]=2 102 B8R0.8 CN(C)C(=O)CCCCl S12226 [1,1,0,0,0,0|2,0,0]=4 103 B8R0.19 CC[C@H](N)CC(=O)OC N12944 [1,1,0,0,0,0|0,0,0]=2 104 B8R0.19 CC[C@H](O)CC(=O)OC C15791 [1,1,0,0,0,0|0,0,0]=2 105 B8R0.19 COC(=O)C[C@H](O)CCl A11858 [1,1,0,0,0,0|1,0,0]=3 106 B8R0.19 COC(=O)N[C@@H](C)CN D95526 [1,1,0,0,0,0|2,0,0]=4 107 B8R0.5 CCCC(=O)CC(C)=O 79568 [1,1,0,0,0,0|1,0,1]=4 108 B8R0.5 CCOC(=O)CC(=O)[O-] C15698 [1,1,0,0,0,0|1,0,1]=4 109 B8R0.5 CCOC(=O)C[C@H](C)N H10190 [1,1,0,0,0,0|0,0,0]=2 110 B8R0.5 COCC(=O)OC(C)C C11794 [1,1,0,0,0,0|1,0,0]=3 111 B10R0.6 CC(C)NC(=O)NCCCN AR2456 [0,2,0,0,0,0|2,0,0]=4 112 B10R0.28 CC(C)(C)OC(=O)CCCCl D83903 [0,2,0,0,0,0|1,0,0]=3 113 B10R0.28 CC(C)(C)OC(=O)CCCN C13415 [0,2,0,0,0,0|1,0,0]=3 114 B10R0.28 CC(C)(C)OC(=O)NCCI A50737 [0,2,0,0,0,0|2,0,0]=4 115 B10R0.28 CCCNC(=O)OC(C)(C)C AB22355 [0,2,0,0,0,0|1,0,0]=3 116 B10R0.28 CCNCC(=O)OC(C)(C)C C10118 [0,2,0,0,0,0|1,0,0]=3 117 B10R0.1 CCCC(=O)OCCCSC 73858 [0,2,0,0,0,0|1,0,0]=3 118 B10R0.1 CCCCNCC(=O)OCC AB3730 [0,2,0,0,0,0|0,0,0]=2 119 B10R0.1 CCOC(=O)CNCCC#N AB7171 [0,2,0,0,0,0|0,0,1]=3 120 B10R0.1 CCOC(=O)CNCCC#N Y10514 [0,2,0,0,0,0|0,0,1]=3 121 B10R0.1 CCOC(=O)\C=C\CCCCl 58166 [0,2,0,0,0,0|0,0,1]=3 122 B10R0.2 CCOC(=O)\C=C(/C)OCC AC2253 [0,2,0,0,0,0|0,0,2]=4 123 B10R0.3 C=C(C)CCCC(=O)OCC C75004 [0,2,0,0,0,0|0,0,0]=2 124 B10R0.3 CCOC(=O)CCC[N+](=O)[O-] Y14690 [0,2,0,0,0,0|1,0,0]=3 125 B10R0.3 CCOC(=O)\C=C\CN(C)C D80188 [0,2,0,0,0,0|0,0,2]=4 126 B10R0.19 C=CCC[C@H](N)C(=O)OCC W17088 [0,2,0,0,0,0|0,0,1]=3 127 B10R0.83 CCCCCC(=O)[C@@H](C)CC D84197 [0,2,0,0,0,0|1,0,0]=3 128 B10R0.83 C\C=C(/C)C(=O)OCCCC A12842 [0,2,0,0,0,0|1,0,1]=4 129 B10R0.91 CCCCNC(=O)OCCO D93331 [0,2,0,0,0,0|0,0,0]=2 130 B10R0.108 CCCC(=O)OC[C@@H](O)CO A10828 [0,2,0,0,0,0|2,0,0]=4 131 B10R0.108 CCOC(=O)CCC(=O)CBr 79134 [0,2,0,0,0,0|0,0,1]=3 132 B10R0.108 CCOC(=O)CNC(=O)OC 74367 [0,2,0,0,0,0|1,0,1]=4 133 B10R0.108 CCOC(=O)NCC(=O)OC AB7223 [0,2,0,0,0,0|1,0,1]=4 134 B10R0.35 CCOC(=O)[C@@H](C)C(=O)CC AB10080 [0,2,0,0,0,0|0,0,1]=3 135 B10R0.35 CCOC(=O)[C@@H](N)[C@H](C)CC AC2330 [0,2,0,0,0,0|0,0,0]=2 136 B10R0.78 CCCCC(=O)NCC(=O)O 81427 [0,2,0,0,0,0|1,0,1]=4 137 B10R0.129 CCOC(=O)C(F)(F)CNC AC2283 [0,2,0,0,0,0|1,0,0]=3 138 B10R0.129 CCOC(C)(C)C(=O)OCCl W17136 [0,2,0,0,0,0|2,0,0]=4 139 B8R1.2 BrCC1=CCCCC1 37274 [1,0,0,1,0,0|2,0,0]=4 140 B8R1.2 CCC1CCNCC1 W10090 [1,0,0,1,0,0|1,0,1]=4 141 B8R1.2 CC[C@H]1CCCCN1 Y10457 [1,0,0,1,0,0|2,0,0]=4 142 B8R1.2 ClCC1CCOCC1 C77585 [1,0,0,1,0,0|1,0,1]=4 143 B8R1.5 CC1NCCOC1C F12405 [1,0,0,1,0,0|1,0,1]=4 144 B8R1.5 C[C@H]1CCCN[C@H]1C P18680 [1,0,0,1,0,0|1,0,1]=4 145 B8R1.8 CCN[C@H]1CCOC1 F14260 [1,0,0,1,0,0|1,0,1]=4 146 B8R1.8 CCO[C@H]1CCNC1 P10149 [1,0,0,1,0,0|1,0,1]=4 147 B8R1.10 CCOCC1CNC1 D84845 [1,0,0,1,0,0|1,0,1]=4 148 B8R1.22 C[C@H]1CCCCCN1 D79537 [1,0,0,1,0,0|1,0,1]=4 149 B8R1.22 C[C@H]1CCCCCN1 D79538 [1,0,0,1,0,0|1,0,1]=4 150 B8R1.22 C[C@H]1CCCCCN1 W10101 [1,0,0,1,0,0|1,0,1]=4 151 B8R1.22 C[C@H]1CCCCNC1 72971 [1,0,0,1,0,0|2,0,0]=4 152 B8R1.22 C[C@H]1CNCCCO1 72856 [1,0,0,1,0,0|1,0,1]=4 153 B8R1.1 C=C[C@@H]1COC(=O)C1 88423 [1,0,0,1,0,0|0,0,2]=4 154 B8R1.1 N#C[C@H]1CCC(=O)C1 D96674 [1,0,0,1,0,0|1,0,1]=4 155 B8R1.1 NC[C@@H]1CNC(=O)C1 37317 [1,0,0,1,0,0|2,0,0]=4 156 B8R1.1 NC[C@@H]1CNC(=O)C1 37318 [1,0,0,1,0,0|2,0,0]=4 157 B8R1.1 NC[C@@H]1CNC(=O)C1 P15063 [1,0,0,1,0,0|2,0,0]=4 158 B8R1.1 NC[C@H]1CCC(=O)N1 D76501 [1,0,0,1,0,0|2,0,0]=4 159 B8R1.1 NC[C@H]1CCC(=O)N1 P10403 [1,0,0,1,0,0|2,0,0]=4 160 B8R1.1 NC[C@H]1CCC(=O)N1 P15844 [1,0,0,1,0,0|2,0,0]=4 161 B8R1.1 NC[C@H]1CCC(=O)N1 P18547 [1,0,0,1,0,0|2,0,0]=4 162 B8R1.1 NC[C@H]1CCC(=O)N1 P19760 [1,0,0,1,0,0|2,0,0]=4 163 B8R1.1 O=C1CC[C@H](CI)O1 AB22632 [1,0,0,1,0,0|2,0,0]=4 164 B8R1.1 O=C1CC[C@H](CO)C1 D79584 [1,0,0,1,0,0|1,0,0]=3 165 B8R1.1 O=C1CC[C@H](CO)O1 80970 [1,0,0,1,0,0|2,0,0]=4 166 B8R1.1 O=C1C[C@H](CO)CN1 P11209 [1,0,0,1,0,0|2,0,0]=4 167 B8R1.1 O=C1N[C@@H](CI)CO1 C72732 [1,0,0,1,0,0|2,0,0]=4 168 B8R1.1 O=C1N[C@@H](CO)CO1 AC1845 [1,0,0,1,0,0|2,0,0]=4 169 B8R1.1 O=C1N[C@@H](CO)CO1 F50277 [1,0,0,1,0,0|2,0,0]=4 170 B8R1.1 O=C1N[C@@H](CO)CO1 F50345 [1,0,0,1,0,0|2,0,0]=4 171 B8R1.3 CC1CCC(O)CC1 D73186 [1,0,0,1,0,0|0,0,2]=4 172 B8R1.3 C[C@@H]1C=CC(=O)CC1 P17313 [1,0,0,1,0,0|0,0,2]=4 173 B8R1.3 C[C@H]1CCC(=O)NC1 P11593 [1,0,0,1,0,0|1,0,0]=3 174 B8R1.3 C[C@H]1CC[C@H](O)CC1 A12839 [1,0,0,1,0,0|0,0,2]=4 175 B8R1.3 C[C@H]1CNC(=O)CN1 P15845 [1,0,0,1,0,0|2,0,0]=4 176 B8R1.3 C[C@H]1CNC(=O)CN1 P17730 [1,0,0,1,0,0|2,0,0]=4 177 B8R1.3 C[C@H]1CNC(=O)CN1 P18573 [1,0,0,1,0,0|2,0,0]=4 178 B8R1.3 C[C@H]1CNC(=O)CO1 AC2156 [1,0,0,1,0,0|2,0,0]=4 179 B8R1.3 N[C@H]1CCC(=O)NC1 37582 [1,0,0,1,0,0|2,0,0]=4 180 B8R1.3 N[C@H]1CCC(=O)NC1 D95207 [1,0,0,1,0,0|2,0,0]=4 181 B8R1.3 N[C@H]1CCC(=O)NC1 P10248 [1,0,0,1,0,0|2,0,0]=4 182 B8R1.3 O=C1CCC(=O)OC1 P20160 [1,0,0,1,0,0|1,0,1]=4 183 B8R1.3 O=C1CCC(F)CC1 23163 [1,0,0,1,0,0|1,0,0]=3 184 B8R1.3 O=C1CC[C@H](F)CN1 P20230 [1,0,0,1,0,0|2,0,0]=4 185 B8R1.3 O=C1CC[C@H](O)CN1 62219 [1,0,0,1,0,0|2,0,0]=4 186 B8R1.3 O=C1CC[C@H](O)CO1 F13840 [1,0,0,1,0,0|1,0,0]=3 187 B8R1.38 CCC(=O)C1COC1 D79147 [1,0,0,1,0,0|1,0,0]=3 188 B8R1.38 CNC(=O)C1CNC1 P20515 [1,0,0,1,0,0|2,0,0]=4 189 B8R1.38 COC(=O)C1COC1 81275 [1,0,0,1,0,0|1,0,0]=3 190 B8R1.38 COC(=O)[C@@H]1CCN1 38788 [1,0,0,1,0,0|1,0,0]=3 191 B8R1.38 O=C(CBr)N1CCC1 P20407 [1,0,0,1,0,0|2,0,0]=4 192 B8R1.40 COC(=O)CC1CC1 28012 [1,0,0,1,0,0|0,0,0]=2 193 B8R1.4 C=C1CCCC(=O)O1 D93802 [1,0,0,1,0,0|0,0,2]=4 194 B8R1.4 CC1=CC(=O)OCC1 D93039 [1,0,0,1,0,0|0,0,2]=4 195 B8R1.4 CN1CCCC(=O)C1 S10664 [1,0,0,1,0,0|2,0,0]=4 196 B8R1.4 C[C@H]1CC(=O)CCN1 37834 [1,0,0,1,0,0|2,0,0]=4 197 B8R1.4 C[C@H]1CC(=O)CCN1 37835 [1,0,0,1,0,0|2,0,0]=4 198 B8R1.4 C[C@H]1CC(=O)CCN1 37846 [1,0,0,1,0,0|2,0,0]=4 199 B8R1.4 C[C@H]1CC(=O)CCO1 P11761 [1,0,0,1,0,0|2,0,0]=4 200 B8R1.4 C[C@H]1CCNC(=O)C1 P11592 [1,0,0,1,0,0|1,0,0]=3 201 B8R1.4 C[C@H]1CCOC(=O)O1 W17381 [1,0,0,1,0,0|1,0,0]=3 202 B8R1.4 C[C@H]1CNCC(=O)N1 38273 [1,0,0,1,0,0|2,0,0]=4 203 B8R1.4 C[C@H]1CNCC(=O)N1 71648 [1,0,0,1,0,0|2,0,0]=4 204 B8R1.4 C[C@H]1CNCC(=O)N1 P10459 [1,0,0,1,0,0|2,0,0]=4 205 B8R1.4 N[C@H]1CCCC(=O)C1 20374 [1,0,0,1,0,0|2,0,0]=4 206 B8R1.4 N[C@H]1CCNC(=O)C1 27397 [1,0,0,1,0,0|2,0,0]=4 207 B8R1.4 O=C1C[C@@H](O)CCN1 68727 [1,0,0,1,0,0|2,0,0]=4 208 B8R1.4 O=C1C[C@@H](O)CCN1 68728 [1,0,0,1,0,0|2,0,0]=4 209 B8R1.18 CC1=CC(=O)C[C@@H]1C C74561 [1,0,0,1,0,0|1,0,1]=4 210 B8R1.18 C[C@@H]1NC(=O)C[C@@H]1O C90245 [1,0,0,1,0,0|2,0,0]=4 211 B8R1.37 CCCC(=O)C1CC1 P18081 [1,0,0,1,0,0|1,0,0]=3 212 B8R1.37 CCOC(=O)[C@@H]1CO1 20558 [1,0,0,1,0,0|1,0,0]=3 213 B10R1.16 CCCCC1OCC(C)O1 D93006 [0,1,0,1,0,0|0,0,2]=4 214 B10R1.61 CC(=O)N1CCCCC1=O 50302 [0,1,0,1,0,0|1,0,1]=4 215 B10R1.61 CC(C)N1CCNCC1=O 29960 [0,1,0,1,0,0|2,0,0]=4 216 B10R1.61 CC(C)[C@@H]1CNCCC1=O 20254 [0,1,0,1,0,0|2,0,0]=4 217 B10R1.11 CCOC(=O)C1=CCCC1 71128 [0,1,0,1,0,0|0,0,1]=3 218 B10R1.11 CCOC(=O)[C@H]1CCNC1 AC2254 [0,1,0,1,0,0|0,0,0]=2 219 B10R1.78 O=C1CCCCCCCC1 AC8766 [0,1,0,1,0,0|1,0,0]=3 220 B10R1.78 O=C1CCCCCCCN1 D74918 [0,1,0,1,0,0|1,0,0]=3 221 B10R1.135 CCOC(=O)C1CC1C#N A12647 [0,1,0,1,0,0|0,0,1]=3 222 B10R1.135 CCOC(=O)C1CC1CO F13437 [0,1,0,1,0,0|0,0,0]=2 223 B10R1.135 CCOC(=O)[C@@H]1C[C@@H]1C#N P16190 [0,1,0,1,0,0|0,0,1]=3 224 B10R1.135 CCOC(=O)[C@H]1C[C@@H]1C#N P16387 [0,1,0,1,0,0|0,0,1]=3 225 B10R1.135 CCOC(=O)[C@H]1C[C@H]1CO F50050 [0,1,0,1,0,0|0,0,0]=2 226 B10R1.137 CCOC(=O)CC1CNC1 D80644 [0,1,0,1,0,0|0,0,0]=2 227 B10R1.137 CCOC(=O)CC1COC1 82536 [0,1,0,1,0,0|0,0,0]=2 228 B10R1.138 CCOC(=O)\C=C\C1CC1 W10675 [0,1,0,1,0,0|0,0,1]=3 229 B10R1.30 CCN1C[C@H](C)NCC1=O W17551 [0,1,0,1,0,0|2,0,0]=4 230 B10R1.30 CCN1C[C@H](C)NCC1=O W17552 [0,1,0,1,0,0|2,0,0]=4 231 B10R1.176 CN1CC[C@H](CN)CC1=O P14228 [0,1,0,1,0,0|2,0,0]=4 232 B10R1.176 CN1CC[C@H](CO)CC1=O 37254 [0,1,0,1,0,0|2,0,0]=4 233 B10R1.182 CON(C)C(=O)C1CCC1 P15528 [0,1,0,1,0,0|2,0,0]=4 234 B10R1.4 N#CC[C@H]1CCCCC1=O W15284 [0,1,0,1,0,0|1,0,1]=4 235 B10R1.4 O=C1CNCCN1CCO F50422 [0,1,0,1,0,0|2,0,0]=4 236 B10R1.17 BrCCOC1CCCCC1 C77571 [0,1,0,1,0,0|1,0,1]=4 237 B10R1.71 O=C1CCC(=O)OCCO1 D93050 [0,1,0,1,0,0|1,0,1]=4 238 B10R1.149 COC(=O)[C@@H]1CCOC1=O F31228 [0,1,0,1,0,0|1,0,1]=4 239 B10R1.181 CCOC(=O)CC1(N)CC1 P12553 [0,1,0,1,0,0|0,0,0]=2 240 B10R1.140 CCOC(=O)C1CC(Br)C1 P17727 [0,1,0,1,0,0|0,0,0]=2 241 B10R1.140 CCOC(=O)C1CC(N)C1 87719 [0,1,0,1,0,0|0,0,0]=2 242 B10R1.140 CCOC(=O)[C@H]1C[C@@H](N)C1 C77307 [0,1,0,1,0,0|0,0,0]=2 243 B10R1.140 CCOC(=O)[C@H]1C[C@@H](O)C1 P11948 [0,1,0,1,0,0|0,0,0]=2 244 B10R1.212 CCOC(=O)C(=O)C1CC1 D85551 [0,1,0,1,0,0|0,0,1]=3 245 B10R1.212 CCOC(=O)[C@@H](Br)C1CC1 38125 [0,1,0,1,0,0|0,0,0]=2 246 B10R1.401 CCOC(=O)C1(C)CCC1 F16289 [0,1,0,1,0,0|0,0,0]=2 247 B10R1.401 CCOC(=O)C1(F)CCC1 W16480 [0,1,0,1,0,0|0,0,0]=2 248 B10R1.1 CCOC1CCC(N)CC1 AB9186 [0,1,0,1,0,0|1,0,1]=4 249 B10R1.161 O=CC1CCCCCCC1 59424 [0,1,0,1,0,0|1,0,1]=4 250 B10R1.302 CC1(C)CCNC(=O)CC1 W16051 [0,1,0,1,0,0|1,0,0]=3 251 B10R2.61 O=C1OC2C=CCC1C2 N13104 [0,0,0,2,0,0|0,0,2]=4 252 B10R2.62 O=C1CC2CCC1CC2 91055 [0,0,0,2,0,0|1,0,0]=3 253 B10R2.62 O=C1CC2CCC1CN2 P14923 [0,0,0,2,0,0|2,0,0]=4 254 B10R2.62 O=C1NC2CCC1CC2 38593 [0,0,0,2,0,0|2,0,0]=4 255 B10R2.71 O=C1CC2CCC(C1)C2 37889 [0,0,0,2,0,0|1,0,0]=3 256 B10R2.534 O=C1CCCC2(CC2)N1 82072 [0,0,0,2,0,0|2,0,0]=4 257 B10R2.534 O=C1CCNC2(CC2)C1 D78858 [0,0,0,2,0,0|2,0,0]=4 258 B10R2.2 O=C1CC2CSCC2C1 38018 [0,0,0,2,0,0|2,0,0]=4 259 B10R2.2 O=C1C[C@H]2CSC[C@@H]2C1 AT14674 [0,0,0,2,0,0|2,0,0]=4 260 B10R2.2 O=C1NC2CCCC2O1 N10687 [0,0,0,2,0,0|1,0,0]=3 261 B10R2.32 O=C1CCC2CNCC12 P10378 [0,0,0,2,0,0|2,0,0]=4 262 B10R2.41 O=C1C2CCC1CNC2 P13354 [0,0,0,2,0,0|2,0,0]=4 263 B10R2.42 O=C1OC(=O)C2CCC12 59945 [0,0,0,2,0,0|1,0,1]=4 264 B10R2.190 O=C1NCCC12CCC2 33677 [0,0,0,2,0,0|1,0,0]=3