0 B8R0.1 CCOC(=O)CCC#N E63052 [0,0,0,0,0,0|2,0,2]=4 1 B8R0.1 CCOC(=O)CCCBr B69333 [0,0,0,0,0,0|2,0,2]=4 2 B8R0.1 CCOC(=O)CCCI E31893 [0,0,0,0,0,0|2,0,2]=4 3 B8R0.1 CCOC(=O)CCCN E43487 [0,0,0,0,0,0|2,0,2]=4 4 B8R0.1 CCOC(=O)CCNC E41584 [0,0,0,0,0,0|1,0,2]=3 5 B8R0.1 CCOC(=O)CCSC E39202 [0,0,0,0,0,0|0,0,2]=2 6 B8R0.1 CCOC(=O)\C=C\C=O E69342 [0,0,0,0,0,0|2,0,0]=2 7 B8R0.1 CCOC(=O)\C=C\CBr E43399 [0,0,0,0,0,0|2,0,0]=2 8 B8R0.1 CCOCC(=O)OCC E41554 [0,0,0,0,0,0|2,0,1]=3 9 B7R0.3 CCCOC(=O)OC M40388 [1,0,0,0,0,0|2,0,1]=4 10 B7R0.3 CNCCC(=O)OC M40412 [1,0,0,0,0,0|1,0,2]=4 11 B7R0.3 COC(=O)C=CCBr M37461 [1,0,0,0,0,0|2,0,0]=3 12 B7R0.3 COC(=O)\C=C\CBr M41176 [1,0,0,0,0,0|2,0,0]=3 13 B7R0.3 COC=CC(=O)OC M39186 [1,0,0,0,0,0|0,1,0]=2 14 B7R0.3 CO\C=C\C(=O)OC M41228 [1,0,0,0,0,0|0,1,0]=2 15 B7R0.7 CC#CC(=O)OCC E36835 [1,0,0,0,0,0|0,0,2]=3 16 B7R0.7 CCNC(=O)NCC D40424 [1,0,0,0,0,0|2,0,1]=4 17 B7R0.7 CCOC(=O)CCBr E39188 [1,0,0,0,0,0|1,0,2]=4 18 B7R0.7 CCOC(=O)CCI E41273 [1,0,0,0,0,0|1,0,2]=4 19 B7R0.7 CCOC(=O)CCO E36682 [1,0,0,0,0,0|0,1,2]=4 20 B7R0.7 CCOC(=O)CNC S69399 [1,0,0,0,0,0|1,0,1]=3 21 B7R0.7 CCOC(=O)CNN E67459 [1,0,0,0,0,0|2,0,1]=4 22 B7R0.7 CCOC(=O)CSC E40386 [1,0,0,0,0,0|0,0,1]=2 23 B7R0.7 CCOC(=O)OCCl C38646 [1,0,0,0,0,0|2,0,1]=4 24 B7R0.7 CCOC(=O)[CH-]C=O E29890 [1,0,0,0,0,0|0,1,1]=3 25 B7R0.7 CCOC(=O)\C=C\I E41181 [1,0,0,0,0,0|1,0,0]=2 26 B9R0.5 CCC=CCC(=O)OCC E47083 [0,1,0,0,0,0|1,0,0]=2 27 B9R0.5 CCCC=CC(=O)OCC E47082 [0,1,0,0,0,0|1,0,0]=2 28 B9R0.5 CCOC(=O)CCCCBr E39295 [0,1,0,0,0,0|1,0,2]=4 29 B9R0.5 CCOC(=O)CCCCN E46517 [0,1,0,0,0,0|1,0,2]=4 30 B9R0.5 CCOC(=O)COCCCl E41531 [0,1,0,0,0,0|2,0,1]=4 31 B9R0.5 CCOC=CC(=O)OCC E43814 [0,1,0,0,0,0|0,1,0]=2 32 B9R0.5 CCO\C=C\C(=O)OCC E43813 [0,1,0,0,0,0|0,1,0]=2 33 B9R0.34 CCCC(=O)CC(=O)OC M39290 [0,1,0,0,0,0|1,1,1]=4 34 B9R0.34 CCOC(=O)CC(=O)CC E43812 [0,1,0,0,0,0|1,0,1]=3 35 B9R0.34 CCOC(=O)CC(=O)CCl E64939 [0,1,0,0,0,0|2,0,1]=4 36 B9R0.34 CCOC(=O)CC(=O)NN E40373 [0,1,0,0,0,0|2,0,1]=4 37 B9R0.34 CCOC(=O)NC(=O)CCl E62948 [0,1,0,0,0,0|3,0,0]=4 38 B9R0.35 CCCC(=O)C(=O)OCC E43810 [0,1,0,0,0,0|1,0,1]=3 39 B9R0.35 CCC[C@H](C)C(=O)OCC E39445 [0,1,0,0,0,0|1,0,2]=4 40 B9R0.35 CCC[C@H](N)C(=O)OCC N65311 [0,1,0,0,0,0|1,0,2]=4 41 B9R0.35 CCOC(=N)C(=O)OCC E32050 [0,1,0,0,0,0|2,0,0]=3 42 B9R0.35 CCOC(=O)C(=O)[CH-]C#N P41417 [0,1,0,0,0,0|2,0,1]=4 43 B9R0.35 CCOC(=O)C(=O)[CH-]C#N S43425 [0,1,0,0,0,0|2,0,1]=4 44 B9R0.48 C=C(C)CCC(=O)OCC E69099 [0,1,0,0,0,0|1,0,2]=4 45 B9R0.48 CCOC(=O)CCC(C)=O E36601 [0,1,0,0,0,0|1,0,2]=4 46 B9R0.48 CCOC(=O)CNC(C)=O E68877 [0,1,0,0,0,0|2,0,1]=4 47 B9R0.48 CCOC(=O)\C=C\N(C)C E16630 [0,1,0,0,0,0|1,0,0]=2 48 B9R0.48 CCOC(=O)\C=C\N(C)C E68121 [0,1,0,0,0,0|1,0,0]=2 49 B9R1.8 CCOC1=NC=CC=C1 E46369 [0,0,0,1,0,0|2,0,1]=4 50 B9R1.73 CCOC(=O)C1CNC1 E0677 [0,0,0,1,0,0|1,0,2]=4 51 B9R1.75 CCOC(=O)CC1CC1 E29877 [0,0,0,1,0,0|1,0,2]=4 52 B6R0.6 C\C=C\C=C\CO H69109 [2,0,0,0,0,0|2,0,0]=4 53 B6R0.1 CC#CC(=O)OC M62298 [2,0,0,0,0,0|0,0,2]=4 54 B6R0.1 CC=CC(=O)CC H41457 [2,0,0,0,0,0|0,0,0]=2 55 B6R0.1 CCOC(=O)C#N E15572 [2,0,0,0,0,0|1,0,1]=4 56 B6R0.1 CCOC(=O)CN G69291 [2,0,0,0,0,0|1,0,1]=4 57 B6R0.1 CCOC(=O)CO E37817 [2,0,0,0,0,0|0,1,1]=4 58 B6R0.1 CCOC(=O)NN E39139 [2,0,0,0,0,0|2,0,0]=4 59 B6R0.1 CCOC(=O)OC E40254 [2,0,0,0,0,0|0,1,0]=3 60 B6R0.1 COC(=O)OCCl C62332 [2,0,0,0,0,0|1,1,0]=4 61 B6R0.1 COC(=O)\C=C/Br B3417 [2,0,0,0,0,0|1,0,0]=3 62 B6R0.1 COC(=O)\C=C/I I2748 [2,0,0,0,0,0|1,0,0]=3 63 B6R0.1 COC(=O)\C=C\I M40173 [2,0,0,0,0,0|1,0,0]=3 64 B6R0.4 C=C\C=C/C(=O)O P41118 [2,0,0,0,0,0|1,0,1]=4 65 B6R0.4 COC=CC(C)=O M41222 [2,0,0,0,0,0|0,1,0]=3 66 B6R0.4 O=C(O)\C=C\CBr B37272 [2,0,0,0,0,0|2,0,0]=4 67 B8R0.6 CCCC=CC(=O)OC M43802 [1,1,0,0,0,0|1,1,0]=4 68 B8R0.3 CCOC(=O)C(=O)CC E67705 [1,1,0,0,0,0|2,0,0]=4 69 B8R0.9 COC(=O)\C=C\C(=O)O M60916 [1,1,0,0,0,0|2,0,0]=4 70 B8R0.19 CCC(=O)CC(=O)CC H43801 [1,1,0,0,0,0|1,0,1]=4 71 B8R0.19 CCC(=O)CC(=O)OC M39036 [1,1,0,0,0,0|0,1,1]=4 72 B8R0.19 CNC(C)=CC(=O)OC M41506 [1,1,0,0,0,0|1,0,0]=3 73 B8R0.19 COC(=O)CC(=O)OC D60836 [1,1,0,0,0,0|0,1,1]=4 74 B8R0.19 COC(=O)\C=C(/C)OC M5601 [1,1,0,0,0,0|0,1,0]=3 75 B8R0.5 CC(C)OC(=O)\C=C/I P67231 [1,1,0,0,0,0|1,0,0]=3 76 B8R0.5 CCOC(=O)CC(=O)[O-] P39163 [1,1,0,0,0,0|0,1,1]=4 77 B8R0.5 CCOC(=O)CC(N)=O E38643 [1,1,0,0,0,0|0,1,1]=4 78 B8R0.5 CCOC(=O)CC(N)=S E6802 [1,1,0,0,0,0|0,0,2]=4 79 B8R0.5 CCOC(=O)C[C@@H](C)O E64944 [1,1,0,0,0,0|0,0,2]=4 80 B8R0.5 CCOC(=O)C[C@H](C)N E43492 [1,1,0,0,0,0|0,0,2]=4 81 B8R0.5 CCOC(=O)C[C@H](C)N E61042 [1,1,0,0,0,0|0,0,2]=4 82 B8R0.5 COCC(=O)OC(C)C P65707 [1,1,0,0,0,0|0,1,1]=4 83 B10R0.2 CCCC(=O)CC(=O)OCC E47091 [0,2,0,0,0,0|1,0,1]=4 84 B10R0.2 CCOC(=N)CC(=O)OCC E37761 [0,2,0,0,0,0|0,1,1]=4 85 B10R0.2 CCOC(=O)CC(=O)COC E69590 [0,2,0,0,0,0|0,1,1]=4 86 B10R0.19 CCCCC(=O)C(=O)OCC E12153 [0,2,0,0,0,0|1,0,1]=4 87 B10R0.19 CCOC=C(C)C(=O)OCC E47098 [0,2,0,0,0,0|0,1,0]=3 88 B10R0.108 CCOC(=O)CNC(=O)OC E41521 [0,2,0,0,0,0|0,1,1]=4 89 B10R0.35 CCOC(=O)C(=O)[C@@H](Br)CC E37425 [0,2,0,0,0,0|1,0,1]=4 90 B10R0.26 CCOC(=O)CC(=O)C(C)C E47096 [0,2,0,0,0,0|1,0,1]=4 91 B8R1.2 COC1=CCOCC1 M5825 [1,0,0,1,0,0|0,1,1]=4 92 B8R1.11 CSC1=C(C)OC=C1 M43319 [1,0,0,1,0,0|0,0,1]=3 93 B8R1.1 CCC1=CC=C(C)S1 E43745 [1,0,0,1,0,0|1,1,0]=4 94 B8R1.1 COC1=CC(=O)CC1 M61379 [1,0,0,1,0,0|0,1,0]=3 95 B8R1.1 COC1=CC(=O)NC1 M41169 [1,0,0,1,0,0|1,1,0]=4 96 B8R1.1 O=C1C=C(CBr)CO1 B31582 [1,0,0,1,0,0|2,0,0]=4 97 B8R1.1 O=C1C=C(CI)CO1 I6261 [1,0,0,1,0,0|2,0,0]=4 98 B8R1.1 O=C1C=C(CO)CO1 H1535 [1,0,0,1,0,0|2,0,0]=4 99 B8R1.4 CN1CCOC(=O)C1 M41260 [1,0,0,1,0,0|1,0,1]=4 100 B8R1.4 NC1=CC(=O)CCC1 A9456 [1,0,0,1,0,0|2,0,0]=4 101 B8R1.18 CC1=C(C)OC(=O)O1 D39178 [1,0,0,1,0,0|1,0,1]=4 102 B8R1.18 CC1=CC(=O)C[C@@H]1C D43712 [1,0,0,1,0,0|1,0,0]=3 103 B8R1.18 CC1=CC(=O)OC1=O C60582 [1,0,0,1,0,0|1,0,1]=4 104 B8R1.18 CC1=CC(=O)O[C@@H]1O H32216 [1,0,0,1,0,0|1,0,0]=3 105 B8R1.18 CC1=CC(=O)[C@H](C)O1 D43303 [1,0,0,1,0,0|1,1,0]=4 106 B8R1.18 O=C1C=C(Cl)[C@@H](O)O1 C40066 [1,0,0,1,0,0|2,0,0]=4 107 B8R1.37 CCOC(=O)C1CC1 E41463 [1,0,0,1,0,0|0,0,2]=4 108 B8R1.37 CCOC(=O)[C@@H]1CO1 E29853 [1,0,0,1,0,0|0,1,1]=4 109 B10R1.130 CCCC1=CC(=O)O[C@@H]1O H43725 [0,1,0,1,0,0|2,0,0]=4 110 B10R1.10 CCOC1=NC(C)=CN=C1 E43628 [0,1,0,1,0,0|2,0,0]=4 111 B10R1.11 CCOC(=O)C1=CC=CN1 E22399 [0,1,0,1,0,0|1,0,1]=4 112 B10R1.11 CCOC(=O)C1=CC=NO1 E43160 [0,1,0,1,0,0|2,0,0]=4 113 B10R1.11 CCOC(=O)C1=CN=CN1 E22557 [0,1,0,1,0,0|1,0,1]=4 114 B10R1.11 CCOC(=O)C1=CN=CO1 E10769 [0,1,0,1,0,0|1,0,1]=4 115 B10R1.11 CCOC(=O)C1=CN=CS1 E9760 [0,1,0,1,0,0|1,0,1]=4 116 B10R1.11 CCOC(=O)C1=CN=NS1 E41038 [0,1,0,1,0,0|2,0,0]=4 117 B10R1.11 CCOC(=O)C1=CNC=C1 E46399 [0,1,0,1,0,0|1,0,1]=4 118 B10R1.11 CCOC(=O)C1=CNN=C1 E8068 [0,1,0,1,0,0|1,0,1]=4 119 B10R1.11 CCOC(=O)C1=COC=C1 E69380 [0,1,0,1,0,0|0,1,1]=4 120 B10R1.11 CCOC(=O)C1=COC=N1 E2170 [0,1,0,1,0,0|0,1,1]=4 121 B10R1.11 CCOC(=O)C1=CON=C1 E8088 [0,1,0,1,0,0|0,1,1]=4 122 B10R1.11 CCOC(=O)C1=CSC=C1 E46245 [0,1,0,1,0,0|0,0,1]=3 123 B10R1.11 CCOC(=O)C1=CSC=N1 E2134 [0,1,0,1,0,0|0,0,1]=3 124 B10R1.11 CCOC(=O)C1=NC=CN1 E23112 [0,1,0,1,0,0|2,0,0]=4 125 B10R1.11 CCOC(=O)C1=NC=CO1 E23077 [0,1,0,1,0,0|2,0,0]=4 126 B10R1.11 CCOC(=O)C1=NC=CS1 E43151 [0,1,0,1,0,0|2,0,0]=4 127 B10R1.11 CCOC(=O)C1=NN=CS1 T67360 [0,1,0,1,0,0|2,0,0]=4 128 B10R1.11 CCOC(=O)C1=NNC=C1 E0715 [0,1,0,1,0,0|2,0,0]=4 129 B10R1.11 CCOC(=O)C1=NOC=C1 E7434 [0,1,0,1,0,0|1,1,0]=4 130 B10R1.11 CCOC(=O)N1C=CN=C1 E43219 [0,1,0,1,0,0|1,0,1]=4 131 B10R1.11 CCOC(=O)[C@@H]1CSCN1 E61537 [0,1,0,1,0,0|0,0,2]=4 132 B10R1.137 CCOC(=O)C=C1CCC1 E47017 [0,1,0,1,0,0|1,0,0]=3 133 B10R1.137 CCOC(=O)C=C1COC1 E1599 [0,1,0,1,0,0|0,1,0]=3 134 B10R1.4 CCOC1=CC=CNC1=O E46398 [0,1,0,1,0,0|2,0,0]=4 135 B10R1.22 CC1=C(C)C(O)=CC(=O)O1 H46256 [0,1,0,1,0,0|1,0,1]=4 136 B10R1.149 COC(=O)[C@@H]1CCOC1=O M43315 [0,1,0,1,0,0|0,1,1]=4