0 B10R0.71 CCCCCC=CC=CC=O PI-48529 [0,0,0,0,0,0|0,0,0]=0 1 B10R0.71 CCCCCC=CCCC=O PI-20940 [0,0,0,0,0,0|0,0,2]=2 2 B9R0.45 CCCCCCC=CCO PI-46869 [1,0,0,0,0,0|0,0,3]=4 3 B9R0.45 CCCC\C=C\C=C\C=O PI-48531 [1,0,0,0,0,0|0,0,0]=1 4 B11R0.140 CCCCOC(=O)C=CC=CC PI-15820 [0,1,0,0,0,0|2,0,0]=3 5 B11R0.148 CCCCCCCC=CC(=O)O PI-40909 [0,1,0,0,0,0|0,0,2]=3 6 B11R0.148 CCCCCCC\C=C\C(O)=O PI-37211 [0,1,0,0,0,0|0,0,2]=3 7 B11R0.148 CCCCCC\C=C\CC(O)=O PI-37094 [0,1,0,0,0,0|0,0,2]=3 8 B11R1.4 CCCCCCc1cccs1 PI-36455 [0,0,0,1,0,0|0,1,1]=3 9 B11R1.4 CCCCCCc1cscc1 PI-32940 [0,0,0,1,0,0|2,0,1]=4 10 B11R1.28 C1=CC=C(C=C1)CCCCBr PI-13248 [0,0,0,1,0,0|2,0,0]=3 11 B11R1.28 C1=CC=C(C=C1)CCCCO PI-12011 [0,0,0,1,0,0|2,0,0]=3 12 B11R1.28 C1=CC=C(C=C1)COCCCl PI-19195 [0,0,0,1,0,0|3,0,0]=4 13 B11R1.28 C1=CC=C(C=C1)NCCCO PI-46938 [0,0,0,1,0,0|3,0,0]=4 14 B11R1.28 C1=CC=C(C=C1)OCCCBr PI-32239 [0,0,0,1,0,0|3,0,0]=4 15 B11R1.28 C1=CC=NC(=C1)CNCCO PI-34035 [0,0,0,1,0,0|3,0,0]=4 16 B11R1.28 C1=CN=CC=C1CCCCCl PI-33973 [0,0,0,1,0,0|3,0,0]=4 17 B11R1.28 CCCCCC1=CC=CC=C1 PI-12353 [0,0,0,1,0,0|1,0,0]=2 18 B11R1.28 CCCCCC1=CC=CC=N1 PI-13331 [0,0,0,1,0,0|1,0,0]=2 19 B11R1.28 CCOCCC1=CC=CC=N1 PI-19391 [0,0,0,1,0,0|2,0,0]=3 20 B11R1.28 NCCOCc1ccccc1 PI-36880 [0,0,0,1,0,0|3,0,0]=4 21 B11R1.28 OCCOCc1ccccc1 PI-24526 [0,0,0,1,0,0|3,0,0]=4 22 B11R1.28 OCCSCc1ccccc1 PI-20759 [0,0,0,1,0,0|3,0,0]=4 23 B11R1.41 C1=CC=C(C(=C1)CCBr)C=O PI-32624 [0,0,0,1,0,0|1,0,2]=4 24 B8R0.4 CCCCCC=CCO PI-26231 [2,0,0,0,0,0|0,0,2]=4 25 B8R0.4 CCCCC\C=C\C=O PI-38486 [2,0,0,0,0,0|0,0,0]=2 26 B12R0.234 C(CCCC=CC(=O)O)CCCO PI-39050 [0,2,0,0,0,0|0,0,2]=4 27 B10R1.17 CCCCC1=CC=CC=N1 PI-13327 [1,0,0,1,0,0|1,0,0]=3 28 B10R1.17 CCCC[N+]1=CC=CC=C1 PI-13343 [1,0,0,1,0,0|1,0,0]=3 29 B10R1.17 CCCC[N+]1=CC=CC=C1 PI-13349 [1,0,0,1,0,0|1,0,0]=3 30 B10R1.17 CCCC[N+]1=CC=CC=C1 PI-45700 [1,0,0,1,0,0|1,0,0]=3 31 B10R1.17 CCCC[N+]1=CC=CC=C1 PI-45703 [1,0,0,1,0,0|1,0,0]=3 32 B10R1.17 CCCSC1=CC=CC=C1 PI-19961 [1,0,0,1,0,0|1,0,1]=4 33 B10R1.17 CNCCC1=CC=CC=N1 PI-13780 [1,0,0,1,0,0|2,0,0]=4 34 B10R1.17 CNCCC1=CC=CC=N1 PI-13781 [1,0,0,1,0,0|2,0,0]=4 35 B10R1.17 ClCCCc1ccccc1 PI-33374 [1,0,0,1,0,0|1,0,1]=4 36 B10R1.17 NCCCc1ccccc1 PI-11351 [1,0,0,1,0,0|1,0,1]=4 37 B10R1.17 OCCCc1ccccn1 PI-33813 [1,0,0,1,0,0|2,0,0]=4 38 B10R1.20 CCC1=CC=CC=C1C=O PI-35265 [1,0,0,1,0,0|0,0,2]=4 39 B10R1.21 CCCCCC1=CC=CS1 PI-29622 [1,0,0,1,0,0|0,1,0]=3 40 B10R1.21 CCCCCC1=CSC=C1 PI-29036 [1,0,0,1,0,0|1,0,0]=3 41 B10R1.29 CCCCc1ccsc1Br PI-36457 [1,0,0,1,0,0|2,0,0]=4 42 B12R1.8 C1=CC=C(C=C1)CCCCCBr PI-14508 [0,1,0,1,0,0|1,0,0]=3 43 B12R1.8 C1=CC=C(C=C1)COCCCBr PI-19703 [0,1,0,1,0,0|2,0,0]=4 44 B12R1.8 C1=CC=C(C=C1)COCCCO PI-32367 [0,1,0,1,0,0|2,0,0]=4 45 B12R1.8 CCCCCCC1=CC=CC=N1 PI-13332 [0,1,0,1,0,0|1,0,0]=3 46 B12R1.8 CCCCCC[N+]1=CC=CC=C1 PI-17157 [0,1,0,1,0,0|1,0,1]=4 47 B12R1.8 CCCCNCC1=CC=CC=C1 PI-28306 [0,1,0,1,0,0|1,0,0]=3 48 B12R1.8 OCCCNCc1ccccc1 PI-28560 [0,1,0,1,0,0|2,0,0]=4 49 B12R1.37 CCCCCCCC1=CC=CO1 PI-17362 [0,1,0,1,0,0|0,0,2]=4 50 B12R1.372 CCCCCCC1=C(SC=C1)Br PI-33575 [0,1,0,1,0,0|1,0,1]=4 51 B12R1.372 CCCCCCc1ccsc1Cl PI-39129 [0,1,0,1,0,0|1,0,1]=4 52 B12R1.32 CCCC(CC1=CC=CC=C1)=O PI-19824 [0,1,0,1,0,0|1,0,1]=4 53 B12R1.32 COCC(CC1=CC=CC=C1)N PI-19806 [0,1,0,1,0,0|2,0,0]=4 54 B12R1.1 CCCCCC1=CC=C(C=C1)Br PI-16233 [0,1,0,1,0,0|1,0,0]=3 55 B12R1.1 CCCCCc1ccc(O)cc1 PI-16210 [0,1,0,1,0,0|1,0,0]=3 56 B12R1.1 CCCCOC1=CC=C(C=C1)N PI-22654 [0,1,0,1,0,0|2,0,0]=4 57 B12R1.1 CCCCOc1ccc(cc1)Br PI-36885 [0,1,0,1,0,0|2,0,0]=4 58 B12R1.1 CCCCOc1ccc(cc1)O PI-13016 [0,1,0,1,0,0|2,0,0]=4 59 B12R1.7 CCCCCCC1=CC(=CS1)Br PI-35021 [0,1,0,1,0,0|0,1,1]=4 60 B12R1.7 CCCCCCC1=CC=C(S1)Br PI-45452 [0,1,0,1,0,0|0,1,1]=4 61 B12R1.27 CCC(=O)CCC1=CC=CC=C1 PI-33801 [0,1,0,1,0,0|1,0,1]=4 62 B12R1.30 CCCCC(=O)C1=CC=CC=C1 PI-40215 [0,1,0,1,0,0|1,0,1]=4 63 B12R1.30 CCCCN(C1=CC=CC=C1)N PI-29775 [0,1,0,1,0,0|2,0,0]=4 64 B12R1.30 CNCCC(C1=CC=CC=C1)Cl PI-22762 [0,1,0,1,0,0|2,0,0]=4 65 B12R1.30 CNCCC(c1ccccc1)O PI-31193 [0,1,0,1,0,0|2,0,0]=4 66 B12R1.252 C[C@@H](O)COCC1=CC=CC=C1 PI-42639 [0,1,0,1,0,0|2,0,0]=4 67 B12R2.2 C1CNC(C1)C2=NC=CC=C2 PI-41461 [0,0,0,2,0,0|2,0,0]=4 68 B12R2.2 C1CNC(C1)c2ccccc2 PI-27036 [0,0,0,2,0,0|2,0,0]=4 69 B12R2.24 CC1CCC2=CC=CC=C2N1 PI-33332 [0,0,0,2,0,0|1,0,1]=4 70 B12R2.1081 C1CC(C2=CC=CC=C2C1)N PI-25359 [0,0,0,2,0,0|2,0,0]=4 71 B12R2.1081 C1CC(C2=CC=CC=C2C1)O PI-18634 [0,0,0,2,0,0|2,0,0]=4 72 B12R2.1081 C1CC2=CC=CC=C2C(=O)C1 PI-32512 [0,0,0,2,0,0|0,0,2]=4 73 B12R2.1081 CN1CCCc2c1cccc2 PI-37581 [0,0,0,2,0,0|2,0,0]=4 74 B12R2.1081 Nc1cccc2c1CCCC2 PI-25360 [0,0,0,2,0,0|1,0,1]=4 75 B12R2.1081 O=C1CCCc2ncccc12 PI-36251 [0,0,0,2,0,0|1,0,1]=4 76 B12R2.1081 O[C@@H]1CCCc2ccccc12 PI-18372 [0,0,0,2,0,0|2,0,0]=4 77 B12R2.1081 O[C@H]1CCCc2ccccc12 PI-18655 [0,0,0,2,0,0|2,0,0]=4 78 B12R2.1081 Oc1cccc2c1CCCC2 PI-18635 [0,0,0,2,0,0|0,0,2]=4 79 B12R2.2057 C1(NCC2=CC=CC=C2)CC1 PI-19108 [0,0,0,2,0,0|2,0,0]=4