0 B12R1.891 CC(C)(O)C#CC1=CC=CC=C1 MC443724 [0,0,0,0,0,0|0,0,2]=2 1 B12R1.891 FC(F)(F)CNC1=CC=CC=C1 MC431070 [0,0,0,0,0,0|4,0,0]=4 2 B12R1.891 O=S(=O)(Cl)CCC1=CC=CC=C1 CS21739 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.91 CC(=O)COC1=CC=CC=C1 MC433248 [1,0,0,0,0,0|1,0,2]=4 4 B11R1.91 CN(C)CCC1=CC=CC=C1 MC446671 [1,0,0,0,0,0|1,0,0]=2 5 B11R1.91 O=C(O)CNc1ccccc1 MC439073 [1,0,0,0,0,0|2,0,1]=4 6 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 CS20444 [1,0,0,0,0,0|2,0,1]=4 7 B13R1.352 NC(CC(F)(F)F)C1=CC=CC=C1 MC431668 [0,1,0,0,0,0|3,0,0]=4 8 B13R1.838 CC(C)(O)C#CC1=CC(N)=CC=C1 MC442731 [0,1,0,0,0,0|0,0,2]=3 9 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 CS11014 [0,0,0,0,1,0|2,0,0]=3 10 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 MC20424 [0,0,0,0,1,0|2,0,0]=3 11 B13R1.3523 CC(C)(O)CNCC1=CC=CC=C1 MC103302 [0,0,0,0,0,1|0,0,0]=1 12 B13R1.3523 C[Si](C)(C)CNCC1=CC=CC=C1 CS11721 [0,0,0,0,0,1|1,1,0]=3 13 B10R1.17 BrCCOC1=CC=CC=C1 MC20150 [2,0,0,0,0,0|2,0,0]=4 14 B10R1.17 Br[Zn]CCc1ccccc1 MC121341 [2,0,0,0,0,0|2,0,0]=4 15 B10R1.17 CNCCC1=CC=CC=C1 MC446670 [2,0,0,0,0,0|1,0,0]=3 16 B10R1.17 ClCCOC1=CC=CC=C1 MC33174 [2,0,0,0,0,0|2,0,0]=4 17 B10R1.17 NCCCC1=CC=NC=C1 MC425564 [2,0,0,0,0,0|2,0,0]=4 18 B10R1.17 NCCOC1=CC=CC=C1 CS20484 [2,0,0,0,0,0|2,0,0]=4 19 B10R1.17 OCCCC1=CC=NC=C1 CS22019 [2,0,0,0,0,0|1,0,0]=3 20 B10R1.17 OCCOC1=CC=CC=C1 MC41398 [2,0,0,0,0,0|1,0,0]=3 21 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 CS14964 [1,1,0,0,0,0|0,0,2]=4 22 B12R1.21 CC(C)CNC1=CC=C(Br)C=C1 MC106746 [1,1,0,0,0,0|1,0,0]=3 23 B12R1.21 CC(O)\C=C\C1=CC=C(Br)C=C1 MC106116 [1,1,0,0,0,0|0,0,2]=4 24 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 CS21832 [1,1,0,0,0,0|1,0,1]=4 25 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 CS21674 [1,1,0,0,0,0|1,0,1]=4 26 B12R1.21 O=C(O)CCC1=CC=C(I)C=C1 CS19854 [1,1,0,0,0,0|1,0,1]=4 27 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 CS21107 [1,1,0,0,0,0|1,0,1]=4 28 B12R1.27 CC(CO)NCC1=CC=CC=C1 CS11754 [1,1,0,0,0,0|1,0,0]=3 29 B12R1.27 CC(CO)OCC1=CC=CC=C1 MC106974 [1,1,0,0,0,0|1,0,0]=3 30 B12R1.27 COC(=O)CCC1=CC=CC=C1 MC433965 [1,1,0,0,0,0|0,0,2]=4 31 B12R1.43 NC(CC1=CC=CC=C1)B(O)O MC442654 [1,1,0,0,0,0|2,0,0]=4 32 B12R1.43 NC(CC1=CC=CC=C1)B(O)O MC442683 [1,1,0,0,0,0|2,0,0]=4 33 B12R1.43 NC(CC1=CC=CC=C1)B(O)O MC442684 [1,1,0,0,0,0|2,0,0]=4 34 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O CS15443 [1,1,0,0,0,0|1,0,1]=4 35 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O CS18748 [1,1,0,0,0,0|1,0,1]=4 36 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O CS21178 [1,1,0,0,0,0|1,0,1]=4 37 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 CS15800 [1,1,0,0,0,0|1,0,1]=4 38 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 CS21095 [1,1,0,0,0,0|1,0,1]=4 39 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 MC438099 [1,1,0,0,0,0|1,0,1]=4 40 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 MC42229 [1,1,0,0,0,0|1,0,1]=4 41 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 MC428246 [1,1,0,0,0,0|1,0,1]=4 42 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 CS22312 [1,1,0,0,0,0|1,0,1]=4 43 B12R1.125 O=C(O)CCC1=C(Br)C=CC=C1 CS21656 [1,1,0,0,0,0|1,0,1]=4 44 B12R1.226 CC(C)COC1=CC=CC(O)=C1 MC112276 [1,1,0,0,0,0|1,0,0]=3 45 B12R1.226 O=C(O)CCC1=CC(Br)=CC=C1 CS21658 [1,1,0,0,0,0|1,0,1]=4 46 B12R1.226 O=C(O)CCC1=CC(Cl)=CC=C1 CS13948 [1,1,0,0,0,0|1,0,1]=4 47 B12R1.226 O=C(O)CCc1cccc(F)c1 MC40203 [1,1,0,0,0,0|1,0,1]=4 48 B12R1.106 CC(C)(C)OC1=CC=C(Br)C=C1 MC425493 [0,1,0,0,1,0|2,0,0]=4 49 B12R1.106 CC(C)(C)OC1=CC=C(Cl)C=C1 MC33068 [0,1,0,0,1,0|2,0,0]=4 50 B12R1.106 CC(C)(N)CC1=CC=C(F)C=C1 MC40988 [0,1,0,0,1,0|1,0,0]=3 51 B12R1.106 CC(C)(O)CC1=CC=C(Cl)C=C1 MC33349 [0,1,0,0,1,0|0,0,0]=2 52 B12R1.151 CC(C)(N)CC1=C(Br)C=CC=C1 MC443554 [0,1,0,0,1,0|1,0,0]=3 53 B12R1.194 CNC(C)(C)CC1=CC=CC=C1 MC34003 [0,1,0,0,1,0|1,0,0]=3 54 B12R1.194 CNC(C)(C)CC1=CC=CC=C1 MC34004 [0,1,0,0,1,0|1,0,0]=3 55 B12R1.564 CC(C)(C)C(N)C1=CC=CC=C1 CS11465 [0,1,0,0,1,0|1,0,0]=3 56 B12R1.564 CC(C)(O)C(=O)C1=CC=CC=C1 CS15837 [0,1,0,0,1,0|0,0,1]=3 57 B14R1.3099 CC(C)(N)C(=O)OCC1=CC=CC=C1 MC436137 [0,1,0,0,0,1|1,0,1]=4 58 B12R2.22 NC1CC(C2=CC=CC=C2)C1 MC103854 [1,0,0,1,0,0|1,0,0]=3 59 B12R2.22 NC1CC(C2=CC=CC=C2)C1 MC103855 [1,0,0,1,0,0|1,0,0]=3 60 B12R2.22 NC1CC(C2=CC=CC=C2)C1 MC105059 [1,0,0,1,0,0|1,0,0]=3 61 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 MC105058 [1,0,0,1,0,0|0,0,2]=4 62 B12R2.24 CC1CNC2=CC=CC=C2C1 MC33343 [1,0,0,1,0,0|1,0,0]=3 63 B12R2.24 CN1CCC2=CC=CC=C2C1 CS16157 [1,0,0,1,0,0|1,0,0]=3 64 B12R2.24 NC1CCC2=CC=CC=C2C1 CS18799 [1,0,0,1,0,0|1,0,0]=3 65 B12R2.24 NC1CCC2=CC=CC=C2C1 MC106682 [1,0,0,1,0,0|1,0,0]=3 66 B12R2.24 NC1CCC2=CC=CC=C2C1 MC106683 [1,0,0,1,0,0|1,0,0]=3 67 B12R2.24 NN1CCC2=CC=CC=C2C1 MC442441 [1,0,0,1,0,0|2,0,0]=4 68 B12R2.24 O=C1CCC2=C(C=CC=C2)C1 MC440135 [1,0,0,1,0,0|0,0,2]=4 69 B12R2.24 O=C1CCc2ccccc2O1 MC41795 [1,0,0,1,0,0|1,0,1]=4 70 B12R2.2403 CC1(C)NCC2=CC=CC=C21 MC101956 [1,0,0,1,0,0|1,0,0]=3 71 B12R2.94 ClC1(SC2=CC=CC=C2)CC1 MC121263 [0,0,0,1,1,0|2,0,0]=4 72 B12R2.95 CC1(C)OC2=C(C=CC=C2)O1 CS17049 [0,0,0,1,1,0|1,0,0]=3 73 B14R2.4874 CC1(C)CC1(Cl)SC2=CC=CC=C2 MC115709 [0,1,0,1,0,0|2,0,0]=4 74 B10R1.18 CC(Br)CC1=CC=CC=C1 MC41813 [1,0,0,0,1,0|1,0,0]=3 75 B10R1.18 CC(C)NC1=CC=CC=C1 CS11787 [1,0,0,0,1,0|1,0,0]=3 76 B10R1.18 CC(C)OC1=CC=CC=C1 MC41360 [1,0,0,0,1,0|1,0,0]=3 77 B10R1.66 CC(C)CCN1C=CC=N1 MC107613 [1,0,0,0,1,0|2,0,0]=4 78 B10R1.66 CC(C)NCC1=CSC=C1 MC112514 [1,0,0,0,1,0|2,0,0]=4 79 B10R1.28 CC(C)(C)C1=CC=CC=C1 MC41559 [0,0,0,0,2,0|1,0,0]=3 80 B10R1.28 CC(C)(C)C1=CC=CN=C1 MC430933 [0,0,0,0,2,0|2,0,0]=4 81 B10R1.28 CC(C)(C)C1=CC=NC=C1 CS10123 [0,0,0,0,2,0|2,0,0]=4 82 B10R1.28 CC(C)(N)C1=NC=CC=C1 MC430649 [0,0,0,0,2,0|2,0,0]=4 83 B10R1.28 CC(C)(O)C1=NC=CC=C1 MC443311 [0,0,0,0,2,0|1,0,0]=3 84 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 CS12052 [0,0,0,0,2,0|2,0,0]=4 85 B10R1.28 C[Si](C)(Cl)C1=CC=CC=C1 CS11135 [0,0,0,0,2,0|1,1,0]=4 86 B12R1.252 CC(=O)OCCC1=CC=CC=C1 MC40009 [1,0,0,0,0,1|0,0,2]=4 87 B12R1.252 CC(C)=CCSC1=CC=CC=C1 MC41831 [1,0,0,0,0,1|0,0,2]=4 88 B12R1.252 CC(O)COCC1=CC=CC=C1 CS20248 [1,0,0,0,0,1|0,0,0]=2 89 B12R1.252 CN(C)CCOC1=CC=CC=C1 CS11261 [1,0,0,0,0,1|1,0,0]=3 90 B12R1.252 O=C(O)CCOC1=CC=CC=C1 MC40204 [1,0,0,0,0,1|1,0,1]=4 91 B12R1.252 O=C(O)CNCC1=CC=CC=C1 CS21182 [1,0,0,0,0,1|1,0,1]=4 92 B12R1.252 O=C(O)COCC1=CC=CC=C1 CS14115 [1,0,0,0,0,1|1,0,1]=4