0 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 15265 [0,0,0,0,0,0|1,0,0]=1 1 B12R1.21 O=C(O)\C=C\C1=CC=C(Cl)C=C1 17096 [0,0,0,0,0,0|2,0,2]=4 2 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 15283 [0,0,0,0,0,0|1,0,2]=3 3 B11R1.1 CCCCC1=CC=C(O)C=C1 17214 [1,0,0,0,0,0|0,0,1]=2 4 B11R1.1 CCCOC1=CC=C(O)C=C1 17213 [1,0,0,0,0,0|1,0,1]=3 5 B11R1.1 COCOC1=CC=C(Cl)C=C1 102904 [1,0,0,0,0,0|3,0,0]=4 6 B11R1.1 COCOC1=CC=C(F)C=C1 100828 [1,0,0,0,0,0|3,0,0]=4 7 B11R1.91 C=C(C)\C=C/C1=CC=CC=C1 100560 [1,0,0,0,0,0|1,0,2]=4 8 B11R1.91 C=C(C)\C=C\C1=CC=CC=C1 100556 [1,0,0,0,0,0|1,0,2]=4 9 B11R1.91 O=C(O)CCC1=CC=CC=C1 19283 [1,0,0,0,0,0|1,0,0]=2 10 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 12253 [1,0,0,0,0,0|1,0,2]=4 11 B11R1.91 O=S([O-])NCC1=CC=CC=C1 102536 [1,0,0,0,0,0|3,0,0]=4 12 B13R1.3 COC1=CC=C(C=CC(=O)O)C=C1 13413 [0,1,0,0,0,0|1,0,2]=4 13 B13R1.3 COC1=CC=C(\C=C\C(=O)O)C=C1 17095 [0,1,0,0,0,0|1,0,2]=4 14 B13R1.14 CCC(=O)CCC1=CC=C(O)C=C1 102151 [0,1,0,0,0,0|0,0,0]=1 15 B13R1.14 COC(=O)\C=C\C1=CC=C(C)C=C1 20344 [0,1,0,0,0,0|1,0,2]=4 16 B13R1.132 CC1=CC=C(C(C)CC(=O)[O-])C=C1 12768 [0,1,0,0,0,0|2,0,0]=3 17 B13R1.133 CC(=O)C(=O)NC1=CC=C(Br)C=C1 545 [0,1,0,0,0,0|2,0,1]=4 18 B13R1.133 CC(=O)C(=O)NC1=CC=C(C)C=C1 1364 [0,1,0,0,0,0|2,0,1]=4 19 B13R1.133 CC(=O)C(=O)NC1=CC=C(Cl)C=C1 1362 [0,1,0,0,0,0|2,0,1]=4 20 B13R1.133 CC(=O)C(=O)NC1=CC=C(I)C=C1 1363 [0,1,0,0,0,0|2,0,1]=4 21 B13R1.133 CC(=O)C(=S)NC1=CC=C(Br)C=C1 1367 [0,1,0,0,0,0|2,0,1]=4 22 B13R1.133 CC(=O)C(=S)NC1=CC=C(C)C=C1 1369 [0,1,0,0,0,0|2,0,1]=4 23 B13R1.133 CC(=O)C(=S)NC1=CC=C(Cl)C=C1 1366 [0,1,0,0,0,0|2,0,1]=4 24 B13R1.133 CC(=O)C(=S)NC1=CC=C(I)C=C1 1368 [0,1,0,0,0,0|2,0,1]=4 25 B13R1.511 CC(=O)CCC1=CC=C(O)C(F)=C1 102130 [0,1,0,0,0,0|0,0,0]=1 26 B13R1.511 CN(C)CCC1=CC=C(O)C(O)=C1 21330 [0,1,0,0,0,0|2,0,0]=3 27 B11R1.20 CC(=O)NC1=CC=C(Br)C=C1 15704 [0,0,0,0,1,0|2,0,0]=3 28 B11R1.20 CC(C)CC1=CC=C(O)C=C1 17197 [0,0,0,0,1,0|1,0,1]=3 29 B11R1.20 N(C(C)=O)C1=NC=C(Cl)C=C1 20662 [0,0,0,0,1,0|3,0,0]=4 30 B11R1.20 NC(=O)NC1=CC=C(Cl)C=C1 532 [0,0,0,0,1,0|3,0,0]=4 31 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 102171 [0,0,0,0,1,0|2,0,0]=3 32 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 20773 [0,0,0,0,1,0|1,0,0]=2 33 B10R1.1 CCOC1=CC=C(Br)C=C1 100870 [2,0,0,0,0,0|2,0,0]=4 34 B10R1.1 NCCC1=CC=C(O)C=C1 15431 [2,0,0,0,0,0|1,0,0]=3 35 B10R1.1 NCCC1=CC=C(O)C=C1 17135 [2,0,0,0,0,0|1,0,0]=3 36 B10R1.17 O=CNNC1=CC=CC=C1 16370 [2,0,0,0,0,0|2,0,0]=4 37 B12R1.1 COCOCC1=CC=C(F)C=C1 102897 [1,1,0,0,0,0|2,0,0]=4 38 B12R1.16 CCCC(=O)C1=CC=C(O)C=C1 523 [1,1,0,0,0,0|0,0,2]=4 39 B12R1.27 COC(=O)CCC1=CC=CC=C1 19761 [1,1,0,0,0,0|0,0,0]=2 40 B12R1.27 COC(=O)\C=C\C1=CC=CC=C1 103161 [1,1,0,0,0,0|0,0,2]=4 41 B12R1.27 O=C(NCl)OCC1=CC=CC=C1 19804 [1,1,0,0,0,0|2,0,0]=4 42 B12R1.43 CC(=O)C(=O)NC1=CC=CC=C1 544 [1,1,0,0,0,0|1,0,1]=4 43 B12R1.43 CC(CC1=CC=CC=C1)C(=O)O 17187 [1,1,0,0,0,0|1,0,0]=3 44 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 15432 [1,1,0,0,0,0|1,0,1]=4 45 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 20898 [1,1,0,0,0,0|0,0,1]=3 46 B12R1.125 CC(=O)NCC1=C(C)C=CN=C1 15651 [1,1,0,0,0,0|2,0,0]=4 47 B12R1.125 CC(=O)OCC1=CC=CC=C1C 16781 [1,1,0,0,0,0|1,0,0]=3 48 B12R1.4 C=CC1=CC=C(NC(C)=O)C=C1 13490 [0,1,0,0,1,0|2,0,0]=4 49 B12R1.4 COC1=CC=C(NC(C)=O)C=C1 17114 [0,1,0,0,1,0|1,0,0]=3 50 B12R1.4 N(C(C)=O)C1=CC=C(OC)N=C1 20381 [0,1,0,0,1,0|2,0,0]=4 51 B12R1.19 CC(=O)NC1=CC(Cl)=C(C)C=C1 17118 [0,1,0,0,1,0|2,0,0]=4 52 B12R1.19 CC(=O)NC1=CC(Cl)=C(Cl)C=C1 17125 [0,1,0,0,1,0|2,0,0]=4 53 B12R1.20 CC1=CC=C(C(C)C(=O)O)C=C1 12756 [0,1,0,0,1,0|2,0,0]=4 54 B12R1.233 CC(=O)NC1=CC=C(C)C=C1C 17105 [0,1,0,0,1,0|2,0,0]=4 55 B12R1.233 CC(=O)NC1=CC=C(C)C=C1O 20859 [0,1,0,0,1,0|2,0,0]=4 56 B12R1.233 CC(=O)NC1=CC=C(Cl)C=C1C 17120 [0,1,0,0,1,0|2,0,0]=4 57 B12R1.233 CC(=O)NC1=CC=C(Cl)C=C1O 20863 [0,1,0,0,1,0|2,0,0]=4 58 B12R1.233 N(C(C)=O)C1=C(Cl)C=C(Br)C=C1 20543 [0,1,0,0,1,0|2,0,0]=4 59 B14R1.4 COC1=CC=C(CCCC(=O)O)C=C1 18171 [0,1,0,0,0,1|1,0,0]=3 60 B14R1.13 O=C(CCl)NCCC1=CC=C(Cl)C=C1 102159 [0,1,0,0,0,1|1,0,0]=3 61 B14R1.678 CC1=CC=C(C(=O)CCC(=O)O)C=C1 14928 [0,1,0,0,0,1|2,0,0]=4 62 B14R1.678 CC1=CC=C(C(=O)CCC(=O)O)C=C1 17074 [0,1,0,0,0,1|2,0,0]=4 63 B14R1.678 CC1=CC=C(C(C)CCC(=O)O)C=C1 12760 [0,1,0,0,0,1|2,0,0]=4 64 B14R1.678 CC1=CC=C(C(C)CCC(=O)[O-])C=C1 12477 [0,1,0,0,0,1|2,0,0]=4 65 B14R1.678 CC1=CC=C(C(C)CCC(=O)[O-])C=C1 12761 [0,1,0,0,0,1|2,0,0]=4 66 B14R1.678 CC1=CC=C(C(C)CCC(=O)[O-])C=C1 12762 [0,1,0,0,0,1|2,0,0]=4 67 B14R1.678 O=C(O)CCC(=O)C1=CC=C(Cl)C=C1 17077 [0,1,0,0,0,1|2,0,0]=4 68 B14R1.2 COC1=CC=C(\C(C)=C\C(C)=O)C=C1 16733 [0,2,0,0,0,0|0,0,2]=4 69 B14R1.3 COC1=CC=C(CC(=O)C(=O)O)C=C1 15423 [0,2,0,0,0,0|1,0,1]=4 70 B14R1.3 COC1=CC=C(NC(=O)C(C)=O)C=C1 546 [0,2,0,0,0,0|1,0,1]=4 71 B14R1.3 COC1=CC=C(NC(=S)C(C)=O)C=C1 1370 [0,2,0,0,0,0|1,0,1]=4 72 B14R1.5 COC1=CC=C(CCC(=O)CF)C=C1 102154 [0,2,0,0,0,0|0,0,0]=2 73 B14R1.3653 COC1=C(O)C=C(CCC(=O)O)C=C1 15268 [0,2,0,0,0,0|1,0,0]=3 74 B14R1.134 COC(=O)C(C)CC1=CC=C(C)C=C1 17190 [0,2,0,0,0,0|1,0,0]=3 75 B14R1.727 COC(=O)COC1=C(Cl)C=C(Cl)C=C1 20914 [0,2,0,0,0,0|2,0,0]=4 76 B14R1.1600 COC1=C(CCC(=O)O)C=CC(O)=C1 19538 [0,2,0,0,0,0|1,0,0]=3 77 B14R1.42 COC1=C(O)C=CC(\C=C\C(C)=O)=C1 19391 [0,2,0,0,0,0|0,0,2]=4 78 B12R2.24 OC1=CC=C2CCNCC2=C1 15601 [1,0,0,1,0,0|1,0,0]=3 79 B12R2.24 OC1=CC=C2CNCCC2=C1 15599 [1,0,0,1,0,0|1,0,1]=4 80 B12R2.3190 O=C(O)C1CC2=CC=CC=C21 16604 [1,0,0,1,0,0|1,0,0]=3 81 B14R2.1295 COC1=CC=C2CC(C(=O)O)C2=C1 16602 [0,1,0,1,0,0|1,0,0]=3 82 B10R1.18 CC(=O)CC1=CC=CC=C1 12126 [1,0,0,0,1,0|0,0,0]=2 83 B10R1.18 CC(=O)NC1=CC=CC=C1 20132 [1,0,0,0,1,0|1,0,0]=3 84 B10R1.18 N=C(N)CC1=CC=CC=C1 745 [1,0,0,0,1,0|2,0,0]=4 85 B10R1.18 O=C(O)CC1=CC=CC=C1 12288 [1,0,0,0,1,0|1,0,0]=3 86 B10R1.18 O=C(O)CC1=CC=CC=C1 15735 [1,0,0,0,1,0|1,0,0]=3 87 B10R1.13 CC1=CC=C(C(=O)O)C=C1 15778 [0,0,0,0,2,0|2,0,0]=4 88 B10R1.13 O=C(O)C1=CC=C(F)C=C1 101191 [0,0,0,0,2,0|2,0,0]=4 89 B10R1.13 O=C(O)C1=CC=C(O)C=C1 15302 [0,0,0,0,2,0|1,0,0]=3 90 B10R1.13 O=[N+]([O-])C1=CC=C(O)C=C1 20068 [0,0,0,0,2,0|2,0,0]=4 91 B12R1.252 CC(=O)NCCC1=CC=CC=C1 13725 [1,0,0,0,0,1|0,0,0]=2 92 B12R1.252 CC(C)=CCCC1=CC=CC=C1 12062 [1,0,0,0,0,1|1,0,0]=3 93 B12R1.252 O=C(O)CCCC1=CC=CC=C1 18169 [1,0,0,0,0,1|1,0,0]=3 94 B12R1.252 O=C(O)CSCC1=CC=CC=C1 10410 [1,0,0,0,0,1|1,0,0]=3