0 B9R0.5 CCOC(=O)CCCC=O N10598 [0,0,0,0,0,0|1,0,3]=4 1 B9R0.5 CCOC(=O)\C=C\CCBr I11241 [0,0,0,0,0,0|1,0,2]=3 2 B9R0.5 CCOC(=O)\C=C\CCO W16297 [0,0,0,0,0,0|1,0,2]=3 3 B8R0.1 CCOC(=O)CCC=O AB9300 [1,0,0,0,0,0|1,0,2]=4 4 B8R0.6 COC\C=C\C(=O)OC P17071 [1,0,0,0,0,0|1,0,1]=3 5 B10R0.1 CCOC(=O)\C=C\CCCCl 58166 [0,1,0,0,0,0|0,0,2]=3 6 B10R0.2 CCOC(=O)\C=C(/C)OCC AC2253 [0,1,0,0,0,0|1,0,1]=3 7 B10R0.3 C=C(C)CCCC(=O)OCC C75004 [0,1,0,0,0,0|0,0,3]=4 8 B10R0.3 CCOC(=O)\C=C\CN(C)C D80188 [0,1,0,0,0,0|1,0,1]=3 9 B10R0.108 CCOC(=O)CNC(=O)OC 74367 [0,1,0,0,0,0|2,0,1]=4 10 B10R0.108 CCOC(=O)NCC(=O)OC AB7223 [0,1,0,0,0,0|2,0,1]=4 11 B10R1.10 CC1=CC=CC(CCCl)=C1 C74996 [0,0,0,1,0,0|3,0,0]=4 12 B10R1.10 CCCC1=CC=CC(Br)=C1 W17019 [0,0,0,1,0,0|3,0,0]=4 13 B10R1.10 CCCC1=CC=CC(N)=C1 S11405 [0,0,0,1,0,0|3,0,0]=4 14 B10R1.10 CCNC1=CC=CC(F)=C1 AB11320 [0,0,0,1,0,0|3,0,0]=4 15 B10R1.10 CCNC1=CC=CC(O)=C1 T71675 [0,0,0,1,0,0|3,0,0]=4 16 B10R1.10 CCOC1=CC(Br)=NC=C1 C73290 [0,0,0,1,0,0|3,0,0]=4 17 B10R1.10 CCOC1=CC(Cl)=NC=C1 AC1568 [0,0,0,1,0,0|3,0,0]=4 18 B10R1.10 CCOC1=CC=NC(Cl)=N1 A11250 [0,0,0,1,0,0|3,0,0]=4 19 B10R1.10 CCOC1=NC(C)=CN=C1 C75488 [0,0,0,1,0,0|2,0,0]=3 20 B10R1.10 CCOC1=NC(N)=CC=C1 78558 [0,0,0,1,0,0|2,0,0]=3 21 B10R1.10 CCOC1=NC(N)=CC=N1 70347 [0,0,0,1,0,0|3,0,0]=4 22 B10R1.10 CCOC1=NC=CC(Cl)=C1 26911 [0,0,0,1,0,0|3,0,0]=4 23 B10R1.10 CNCC1=CC(C)=CC=C1 C78188 [0,0,0,1,0,0|3,0,0]=4 24 B10R1.11 CCOC(=O)C1=CCCC1 71128 [0,0,0,1,0,0|0,0,2]=3 25 B10R1.11 CCOC(=O)C1=CNN=N1 25805 [0,0,0,1,0,0|3,0,0]=4 26 B10R1.11 CCOC(=O)C1=CSN=N1 71070 [0,0,0,1,0,0|3,0,0]=4 27 B10R1.11 CCOC(=O)C1=NC=CS1 24386 [0,0,0,1,0,0|2,0,0]=3 28 B10R1.11 CCOC(=O)C1=NN=CN1 AT21347 [0,0,0,1,0,0|3,0,0]=4 29 B10R1.11 CCOC(=O)C1=NN=CS1 F31215 [0,0,0,1,0,0|3,0,0]=4 30 B10R1.11 CCOC(=O)C1=NOC=N1 71558 [0,0,0,1,0,0|3,0,0]=4 31 B10R1.138 CCOC(=O)\C=C\C1CC1 W10675 [0,0,0,1,0,0|0,0,2]=3 32 B10R1.245 CC1=CC=CC(Cl)=C1CN Y12256 [0,0,0,1,0,0|3,0,0]=4 33 B10R1.245 CC1=CC=CC(F)=C1CO W16613 [0,0,0,1,0,0|3,0,0]=4 34 B10R1.245 CC1=CC=CC(O)=C1CO C74535 [0,0,0,1,0,0|2,0,1]=4 35 B10R1.245 CCC1=C(Br)C=CC=C1Br 86463 [0,0,0,1,0,0|3,0,0]=4 36 B10R1.245 COC1=C(Br)C=CC=C1C F52555 [0,0,0,1,0,0|3,0,0]=4 37 B7R0.3 C=CCCC(=O)OC AT23749 [2,0,0,0,0,0|0,0,2]=4 38 B7R0.3 COC(=O)\C=C\CCl AT12623 [2,0,0,0,0,0|1,0,1]=4 39 B7R0.3 COC(=O)\C=C\CN AT20770 [2,0,0,0,0,0|1,0,1]=4 40 B7R0.7 C=C=CC(=O)OCC T71774 [2,0,0,0,0,0|0,0,1]=3 41 B7R0.4 C\C=C/C=C/C(=O)O D86563 [2,0,0,0,0,0|0,0,0]=2 42 B9R0.35 CCNC(=O)C(=O)OCC W18547 [1,1,0,0,0,0|1,0,1]=4 43 B9R0.48 C=C(C)CCC(=O)OCC A11234 [1,1,0,0,0,0|0,0,2]=4 44 B9R0.48 CCOC(=O)\C=C\B(O)O A51290 [1,1,0,0,0,0|2,0,0]=4 45 B9R0.48 CCOC(=O)\C=C\C(C)=O 71109 [1,1,0,0,0,0|0,0,0]=2 46 B9R0.1 COC(=O)\C=C\CN(C)C D70009 [1,1,0,0,0,0|1,0,1]=4 47 B11R0.4 CCOC(=O)\C=C\CCCCCl 56157 [0,2,0,0,0,0|0,0,2]=4 48 B11R0.1 CCOC(=O)\C=C(/C)NC(C)=O O10151 [0,2,0,0,0,0|1,0,0]=3 49 B11R0.177 C=C(C(=O)OCC)C(=O)OCC 73875 [0,2,0,0,0,0|1,0,1]=4 50 B11R0.43 CCOC(=O)C(=O)CC(=O)CC C10562 [0,2,0,0,0,0|0,0,2]=4 51 B9R1.2 CCC1=CC(=O)CCC1 A10067 [1,0,0,1,0,0|1,0,1]=4 52 B9R1.15 CCC1=C(F)C=CC=C1 F20938 [1,0,0,1,0,0|2,0,0]=4 53 B9R1.3 CN1C(=O)C=CC=C1Br C76858 [1,0,0,1,0,0|2,0,0]=4 54 B9R1.11 CCC(=O)C1=CNC=N1 D93407 [1,0,0,1,0,0|2,0,0]=4 55 B9R1.11 CCC(=O)C1=COC=C1 N14291 [1,0,0,1,0,0|1,0,1]=4 56 B9R1.11 CCC(=O)C1=NC=CS1 F53520 [1,0,0,1,0,0|2,0,0]=4 57 B9R1.11 COC(=O)C1=CC=NS1 62854 [1,0,0,1,0,0|2,0,0]=4 58 B9R1.11 COC(=O)C1=CCSC1 T71209 [1,0,0,1,0,0|1,0,1]=4 59 B9R1.11 COC(=O)C1=COC=N1 22956 [1,0,0,1,0,0|2,0,0]=4 60 B9R1.11 COC(=O)C1=NC=CO1 C74629 [1,0,0,1,0,0|2,0,0]=4 61 B9R1.11 O=C(CBr)C1=CC=CO1 D79351 [1,0,0,1,0,0|2,0,0]=4 62 B9R1.11 O=C(CO)C1=CC=CO1 AC4738 [1,0,0,1,0,0|2,0,0]=4 63 B9R1.80 COC(=O)\C=C\C1CC1 89072 [1,0,0,1,0,0|0,0,2]=4 64 B11R1.16 CCCC(=O)C1=CN=CC=C1 N12405 [0,1,0,1,0,0|1,0,1]=4 65 B11R1.16 CCCC(=O)C1=NC=CC=C1 55420 [0,1,0,1,0,0|1,0,1]=4 66 B11R1.16 CCOC(=O)C1=CCNCC1 W10892 [0,1,0,1,0,0|0,0,2]=4 67 B11R1.16 CCOC(=O)C1=CNCCS1 D85953 [0,1,0,1,0,0|1,0,1]=4 68 B11R1.16 CCOC(=O)C1=NN=CC=N1 67096 [0,1,0,1,0,0|2,0,0]=4 69 B11R1.24 CC1=CC=CC(OCCBr)=C1 D86494 [0,1,0,1,0,0|1,0,0]=3 70 B11R1.24 CC1=CC=CC(OCCN)=C1 30931 [0,1,0,1,0,0|1,0,0]=3 71 B11R1.24 CCCOC1=NC(C)=CN=C1 C76147 [0,1,0,1,0,0|2,0,0]=4 72 B11R1.24 FC1=CC=CC(OCCBr)=C1 71908 [0,1,0,1,0,0|2,0,0]=4 73 B11R1.30 CCOC(=O)C=C1CCCC1 95468 [0,1,0,1,0,0|0,0,2]=4 74 B11R1.30 CCOC(=O)CC1=CSC=N1 31608 [0,1,0,1,0,0|1,0,1]=4 75 B11R1.30 CCOC(=O)CC1=NNC=C1 F12966 [0,1,0,1,0,0|1,0,1]=4 76 B11R1.30 CCOC(=O)CN1C=CC=N1 W10260 [0,1,0,1,0,0|1,0,1]=4 77 B11R1.199 CCOC(=O)C1=C(Br)C=CO1 F14070 [0,1,0,1,0,0|1,0,0]=3 78 B11R1.199 CCOC(=O)C1=C(Br)N=CO1 27033 [0,1,0,1,0,0|2,0,0]=4 79 B11R1.199 CCOC(=O)C1=C(Br)N=CS1 88254 [0,1,0,1,0,0|2,0,0]=4 80 B11R1.199 CCOC(=O)C1=C(Br)NC=N1 F30600 [0,1,0,1,0,0|2,0,0]=4 81 B11R1.199 CCOC(=O)C1=C(C)OC=N1 68172 [0,1,0,1,0,0|1,0,0]=3 82 B11R1.199 CCOC(=O)C1=C(C)SC=N1 68023 [0,1,0,1,0,0|1,0,0]=3 83 B11R1.199 CCOC(=O)C1=C(Cl)NC=N1 F30573 [0,1,0,1,0,0|2,0,0]=4 84 B11R1.199 CCOC(=O)C1=C(Cl)SC=N1 36496 [0,1,0,1,0,0|2,0,0]=4 85 B11R1.199 CCOC(=O)C1=C(F)C=NN1 D96476 [0,1,0,1,0,0|2,0,0]=4 86 B11R1.199 CCOC(=O)C1=C(I)SC=N1 72637 [0,1,0,1,0,0|2,0,0]=4 87 B11R1.199 CCOC(=O)C1=C(N)C=CO1 67501 [0,1,0,1,0,0|1,0,0]=3 88 B11R1.199 CCOC(=O)C1=CC=CN1N 61488 [0,1,0,1,0,0|1,0,0]=3 89 B11R1.199 CCOC(=O)C1=CNN=C1Br Y10110 [0,1,0,1,0,0|2,0,0]=4 90 B11R1.199 CCOC(=O)C1=CNN=C1Cl Y10509 [0,1,0,1,0,0|2,0,0]=4 91 B11R1.199 CCOC(=O)C1=CNN=C1I 26404 [0,1,0,1,0,0|2,0,0]=4 92 B11R1.199 CCOC(=O)C1=CNOC1=O A11101 [0,1,0,1,0,0|2,0,0]=4 93 B11R1.199 CCOC(=O)C1=NC=CN1N F51446 [0,1,0,1,0,0|2,0,0]=4 94 B11R1.199 CCOC(=O)C1=NNC=C1Cl 72892 [0,1,0,1,0,0|2,0,0]=4 95 B11R1.199 CCOC(=O)C1=NOC=C1C 95083 [0,1,0,1,0,0|1,0,0]=3 96 B11R1.289 CCOC(=O)\C=C\C1CCC1 86249 [0,1,0,1,0,0|0,0,2]=4 97 B11R1.34 CCOC1=NC(C)=CC(N)=C1 C73752 [0,1,0,1,0,0|1,0,0]=3 98 B11R1.15 CCOC(=O)C1=CC(=O)NN1 FD10514 [0,1,0,1,0,0|2,0,0]=4 99 B11R1.15 CCOC(=O)C1=CC(Br)=NN1 P17345 [0,1,0,1,0,0|2,0,0]=4 100 B11R1.15 CCOC(=O)C1=CC(C)=CN1 83098 [0,1,0,1,0,0|1,0,0]=3 101 B11R1.15 CCOC(=O)C1=CC(C)=CS1 H11525 [0,1,0,1,0,0|1,0,0]=3 102 B11R1.15 CCOC(=O)C1=CC(Cl)=NN1 P15481 [0,1,0,1,0,0|2,0,0]=4 103 B11R1.15 CCOC(=O)C1=CC(N)=CN1 70768 [0,1,0,1,0,0|1,0,0]=3 104 B11R1.15 CCOC(=O)C1=CC=C(Br)N1 78881 [0,1,0,1,0,0|1,0,0]=3 105 B11R1.15 CCOC(=O)C1=CN=C(N)N1 26231 [0,1,0,1,0,0|2,0,0]=4 106 B11R1.15 CCOC(=O)C1=CN=C(S)S1 SC1360 [0,1,0,1,0,0|2,0,0]=4 107 B11R1.15 CCOC(=O)C1=CNC(Br)=N1 P18322 [0,1,0,1,0,0|2,0,0]=4 108 B11R1.15 CCOC(=O)C1=CNC(C)=C1 D76379 [0,1,0,1,0,0|1,0,0]=3 109 B11R1.15 CCOC(=O)C1=CNC(C)=N1 D95741 [0,1,0,1,0,0|1,0,0]=3 110 B11R1.15 CCOC(=O)C1=CNC(Cl)=C1 P20595 [0,1,0,1,0,0|1,0,1]=4 111 B11R1.15 CCOC(=O)C1=CSC(Cl)=C1 Y11383 [0,1,0,1,0,0|1,0,1]=4 112 B11R1.15 CCOC(=O)C1=CSC(F)=N1 AC2296 [0,1,0,1,0,0|2,0,0]=4 113 B11R1.15 CCOC(=O)C1=NC(C)=CO1 F13742 [0,1,0,1,0,0|1,0,0]=3 114 B11R1.15 CCOC(=O)C1=NC(C)=NS1 A12831 [0,1,0,1,0,0|2,0,0]=4 115 B11R1.15 CCOC(=O)C1=NC(N)=CN1 C90550 [0,1,0,1,0,0|2,0,0]=4 116 B11R1.15 CCOC(=O)C1=NC=C(Br)S1 F52709 [0,1,0,1,0,0|2,0,0]=4 117 B11R1.15 CCOC(=O)C1=NC=C(C)N1 96258 [0,1,0,1,0,0|1,0,0]=3 118 B11R1.15 CCOC(=O)C1=NC=C(C)O1 F14099 [0,1,0,1,0,0|1,0,0]=3 119 B11R1.15 CCOC(=O)C1=NN(C)C=C1 O11735 [0,1,0,1,0,0|1,0,0]=3 120 B11R1.15 CCOC(=O)C1=NN=C(C)O1 61980 [0,1,0,1,0,0|2,0,0]=4 121 B11R1.15 CCOC(=O)C1=NN=C(C)S1 31771 [0,1,0,1,0,0|2,0,0]=4 122 B11R1.15 CCOC(=O)C1=NNC(I)=C1 78224 [0,1,0,1,0,0|2,0,0]=4 123 B11R1.15 CCOC(=O)C1=NOC(Br)=C1 D84090 [0,1,0,1,0,0|2,0,0]=4 124 B11R1.15 CCOC(=O)C1=NOC(C)=N1 67364 [0,1,0,1,0,0|2,0,0]=4 125 B11R1.15 CCOC(=O)C1=NOC(N)=C1 88480 [0,1,0,1,0,0|2,0,0]=4 126 B11R1.15 CCOC(=O)N1C=CC(N)=N1 W12315 [0,1,0,1,0,0|2,0,0]=4 127 B11R1.157 CC(C)OC1=CC(O)=CC=C1 C13518 [0,1,0,1,0,0|2,0,0]=4 128 B11R1.156 CC1=CC=CC(C)=C1[C@H](C)N 20079 [0,1,0,1,0,0|2,0,0]=4 129 B11R1.156 CC1=CC=CC(C)=C1[C@H](C)N 20081 [0,1,0,1,0,0|2,0,0]=4 130 B11R1.156 CC1=CC=CC(C)=C1[C@H](C)N D80841 [0,1,0,1,0,0|2,0,0]=4 131 B11R1.156 CC1=CC=CC(C)=C1[C@H](C)N F16983 [0,1,0,1,0,0|2,0,0]=4 132 B11R1.156 CC1=CC=CC(C)=C1[C@H](C)N Y11055 [0,1,0,1,0,0|2,0,0]=4 133 B11R1.13 CCOC1=C(N)C(N)=CC=C1 79683 [0,1,0,1,0,0|2,0,0]=4 134 B11R1.13 CCOC1=CC=CC(F)=C1N D84510 [0,1,0,1,0,0|2,0,0]=4 135 B11R1.29 CNCCC(=O)C1=CC=CS1 C76025 [0,1,0,1,0,0|2,0,0]=4 136 B11R1.182 CCOC1=C(Br)C=CC(Cl)=N1 D83089 [0,1,0,1,0,0|2,0,0]=4 137 B11R1.349 CCOC(=O)C(C)=C1COC1 D78855 [0,1,0,1,0,0|1,0,1]=4 138 B11R1.23 CC[C@H](N)C1=CC(C)=CC=C1 N11059 [0,1,0,1,0,0|2,0,0]=4 139 B11R1.23 CC[C@H](N)C1=CC(C)=CC=C1 N11060 [0,1,0,1,0,0|2,0,0]=4 140 B11R1.23 CC[C@H](N)C1=CC(C)=CC=C1 N13204 [0,1,0,1,0,0|2,0,0]=4 141 B11R1.23 CC[C@H](N)C1=CC(C)=CC=C1 N14300 [0,1,0,1,0,0|2,0,0]=4 142 B11R1.23 CC[C@H](N)C1=CC(C)=CC=C1 Y12439 [0,1,0,1,0,0|2,0,0]=4 143 B11R1.23 CC[C@H](N)C1=CC(C)=CC=C1 Y13349 [0,1,0,1,0,0|2,0,0]=4 144 B11R1.192 CCOC1=CC(F)=C(N)C=C1 A12546 [0,1,0,1,0,0|2,0,0]=4 145 B11R1.214 CCOCC1=CC=C(C=O)O1 N16960 [0,1,0,1,0,0|1,0,1]=4 146 B11R2.36 CC1=CC2=C(C=C1)CCC2 Y11729 [0,0,0,2,0,0|2,0,0]=4 147 B11R2.36 ClC1=NC2=C(C=C1)CCO2 D78959 [0,0,0,2,0,0|2,0,0]=4 148 B11R2.36 FC1=CC2=C(C=C1)CCO2 Y13232 [0,0,0,2,0,0|2,0,0]=4 149 B11R2.36 NC1=CC2=C(C=C1)CCO2 F12399 [0,0,0,2,0,0|2,0,0]=4 150 B11R2.36 OC1=CC2=C(C=C1)CCO2 27138 [0,0,0,2,0,0|2,0,0]=4 151 B11R2.106 BrC1=C2CCCC2=CC=C1 38090 [0,0,0,2,0,0|2,0,0]=4 152 B11R2.106 CC1=C2CCCC2=CC=C1 Y11654 [0,0,0,2,0,0|2,0,0]=4 153 B11R2.106 ClC1=C2CCOC2=CC=C1 52389 [0,0,0,2,0,0|2,0,0]=4 154 B11R2.106 FC1=C2CCCC2=CC=C1 Y12594 [0,0,0,2,0,0|2,0,0]=4 155 B11R2.106 IC1=C2CCCC2=CC=C1 N13267 [0,0,0,2,0,0|2,0,0]=4 156 B11R2.106 O=C1C=CC=C2NCCN12 O10575 [0,0,0,2,0,0|2,0,0]=4 157 B11R2.106 O=C1CCCC2=C1OC=C2 W11588 [0,0,0,2,0,0|2,0,0]=4 158 B11R2.106 O=C1NCCC2=C1SC=C2 78515 [0,0,0,2,0,0|2,0,0]=4 159 B11R2.106 O=C1NCCN2C=CC=C12 C90500 [0,0,0,2,0,0|2,0,0]=4 160 B11R2.106 O=C1OCCC2=C1SC=C2 W19518 [0,0,0,2,0,0|1,0,0]=3