0 B12R1.125 O=C(O)CCC1=C(Br)C=CC=C1 CS21656 [0,0,0,0,0,0|3,1,0]=4 1 B12R1.125 O=C(O)CNc1ccccc1Cl MC439220 [0,0,0,0,0,0|4,0,0]=4 2 B11R1.17 CCCOC1=C(O)C=CC=C1 MC20673 [1,0,0,0,0,0|3,0,0]=4 3 B11R1.17 O=CCCC1=C(Cl)C=CC=C1 MC106741 [1,0,0,0,0,0|2,0,0]=3 4 B11R1.91 CC(=O)COC1=CC=CC=C1 MC433248 [1,0,0,0,0,0|3,0,0]=4 5 B11R1.91 CN(C)CCC1=CC=CC=C1 MC446671 [1,0,0,0,0,0|0,0,0]=1 6 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 CS20444 [1,0,0,0,0,0|2,0,1]=4 7 B13R1.157 O=S(=O)(Cl)CCC1=C(Cl)C=CC=C1 MC430223 [0,1,0,0,0,0|3,0,0]=4 8 B13R1.164 O=C(O)CCC1=C(Cl)C=C(O)C=C1 MC40198 [0,1,0,0,0,0|3,0,0]=4 9 B13R1.202 NC(CC1=C(Cl)C=CC=C1)C(=O)O CS13435 [0,1,0,0,0,0|3,0,0]=4 10 B13R1.202 NC(CC1=C(Cl)C=CC=C1)C(=O)O CS18722 [0,1,0,0,0,0|3,0,0]=4 11 B13R1.202 NC(Cc1ccccc1Cl)C(=O)O MC439094 [0,1,0,0,0,0|3,0,0]=4 12 B13R1.528 COC(=O)CCC1=C(Br)C=CC=C1 MC433966 [0,1,0,0,0,0|2,1,0]=4 13 B13R1.893 CC(C)COC1=C(N)C=CC(Br)=C1 MC112124 [0,1,0,0,0,0|3,0,0]=4 14 B13R2.33 O=C1CCC2=C(C=CC=C2)CC1 MC442202 [0,0,0,1,0,0|3,0,0]=4 15 B13R2.435 CC(=O)C1CC2=CC=CC=C2C1 MC41739 [0,0,0,1,0,0|3,0,0]=4 16 B13R2.3587 ClC1=C(OCC2CO2)C=CC=C1 MC111644 [0,0,0,1,0,0|3,0,0]=4 17 B13R2.3587 OC1=C(OCC2CC2)C=CC=C1 MC112317 [0,0,0,1,0,0|3,0,0]=4 18 B13R2.5179 O=C1CCC2=C(Br)C=CC=C2C1 MC20821 [0,0,0,1,0,0|2,1,0]=4 19 B11R1.86 CC(=O)CC1=C(Cl)C=CC=C1 MC10294 [0,0,0,0,1,0|2,0,0]=3 20 B11R1.86 CC(=O)CC1=C(F)C=CC=C1 MC10318 [0,0,0,0,1,0|2,1,0]=4 21 B11R1.86 CC(C)OC1=C(N)C=CC=C1 CS13469 [0,0,0,0,1,0|3,0,0]=4 22 B11R1.86 CC(C)OC1=NC=CC=C1Cl MC103348 [0,0,0,0,1,0|3,0,0]=4 23 B11R1.86 O=C(O)CC1=C(Cl)C=CC=C1 CS20826 [0,0,0,0,1,0|3,0,0]=4 24 B10R1.4 CC1=CC=CN=C1CCN MC33439 [2,0,0,0,0,0|2,0,0]=4 25 B10R1.4 CCOC1=C(Br)C=CC=C1 MC20149 [2,0,0,0,0,0|1,1,0]=4 26 B10R1.4 CCOC1=C(N)C=CC=C1 CS11823 [2,0,0,0,0,0|2,0,0]=4 27 B10R1.4 CCOC1=C(O)C=CC=C1 MC41194 [2,0,0,0,0,0|2,0,0]=4 28 B10R1.4 CNCC1=C(F)C=CC=C1 MC40828 [2,0,0,0,0,0|0,1,0]=3 29 B10R1.4 COCC1=C(Br)C=CC=C1 MC41399 [2,0,0,0,0,0|1,1,0]=4 30 B10R1.4 N#CCC1=C(Cl)C=CC=C1 CS21495 [2,0,0,0,0,0|0,0,2]=4 31 B10R1.4 NCCC1=C(Br)C=CC=C1 CS15138 [2,0,0,0,0,0|0,1,0]=3 32 B10R1.4 NCCC1=C(F)C=CC=C1 CS14793 [2,0,0,0,0,0|0,1,0]=3 33 B10R1.4 NCCC1=C(N)C=CC=C1 CS15970 [2,0,0,0,0,0|1,0,0]=3 34 B10R1.4 NCCC1=NC=CC=C1Br MC104547 [2,0,0,0,0,0|1,1,0]=4 35 B10R1.4 NCCN1C=CC=CC1=O MC431465 [2,0,0,0,0,0|2,0,0]=4 36 B10R1.4 NNCC1=C(F)C=CC=C1 CS20134 [2,0,0,0,0,0|1,1,0]=4 37 B10R1.4 NNCc1ccccc1F MC443842 [2,0,0,0,0,0|1,1,0]=4 38 B10R1.4 OC1=C(CCI)C=CC=C1 MC430321 [2,0,0,0,0,0|2,0,0]=4 39 B10R1.4 OCCC1=C(Br)C=CC=C1 CS21407 [2,0,0,0,0,0|1,1,0]=4 40 B10R1.4 OCCC1=C(Cl)C=CC=C1 MC40737 [2,0,0,0,0,0|1,0,0]=3 41 B10R1.4 OCCC1=C(F)C=CC=C1 MC33149 [2,0,0,0,0,0|1,1,0]=4 42 B10R1.17 Br[Zn]CCc1ccccc1 MC121341 [2,0,0,0,0,0|2,0,0]=4 43 B10R1.17 CNCCC1=CC=CC=C1 MC446670 [2,0,0,0,0,0|0,0,0]=2 44 B12R1.69 CCCCC1=C(O)C=C(O)C=C1 MC443141 [1,1,0,0,0,0|2,0,0]=4 45 B12R1.371 COC(=O)CC1=C(Cl)C=CC=C1 CS21677 [1,1,0,0,0,0|1,0,1]=4 46 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 CS14964 [1,1,0,0,0,0|2,0,0]=4 47 B12R1.21 CC(C)CNC1=CC=C(Br)C=C1 MC106746 [1,1,0,0,0,0|2,0,0]=4 48 B12R1.27 CC(CO)NCC1=CC=CC=C1 CS11754 [1,1,0,0,0,0|2,0,0]=4 49 B12R1.27 CC(CO)OCC1=CC=CC=C1 MC106974 [1,1,0,0,0,0|2,0,0]=4 50 B12R1.27 COC(=O)CCC1=CC=CC=C1 MC433965 [1,1,0,0,0,0|2,0,0]=4 51 B12R1.226 CC(C)COC1=CC=CC(O)=C1 MC112276 [1,1,0,0,0,0|2,0,0]=4 52 B12R1.151 CC(C)(N)CC1=C(Br)C=CC=C1 MC443554 [0,1,0,0,1,0|1,1,0]=4 53 B12R1.233 CC(C)OC1=C(Cl)C=C(Br)C=C1 MC443492 [0,1,0,0,1,0|2,0,0]=4 54 B14R1.160 CC(C)NCC(O)C1=C(Cl)C=CC=C1 CS11162 [0,1,0,0,0,1|1,0,0]=3 55 B12R1.252 CN(C)CCOC1=CC=CC=C1 CS11261 [0,0,1,1,0,0|2,0,0]=4 56 B12R2.24 CN1CCC2=CC=CC=C2C1 CS16157 [1,0,0,1,0,0|1,0,0]=3 57 B12R2.24 NN1CCC2=CC=CC=C2C1 MC442441 [1,0,0,1,0,0|2,0,0]=4 58 B12R2.41 C1=CC2=C(C=C1)CCNCC2 MC434053 [1,0,0,1,0,0|1,0,0]=3 59 B12R2.41 C1=CC2=C(C=C1)NCCCC2 CS18041 [1,0,0,1,0,0|2,0,0]=4 60 B12R2.196 O=C1CCC2=C(Cl)C=CC=C12 CS18751 [1,0,0,1,0,0|2,0,0]=4 61 B12R2.1081 BrC1=C2CCNCC2=CC=C1 CS19342 [1,0,0,1,0,0|0,1,0]=3 62 B12R2.1081 ClC1=C2CCCNC2=CC=C1 CS19411 [1,0,0,1,0,0|2,0,0]=4 63 B12R2.1081 ClC1=C2CNCCC2=CC=C1 CS17691 [1,0,0,1,0,0|2,0,0]=4 64 B12R2.1081 ClC1=C2NCCCC2=CC=C1 MC441108 [1,0,0,1,0,0|2,0,0]=4 65 B12R2.1081 ClC1=CC=NC2=C1CCCC2 CS16900 [1,0,0,1,0,0|2,0,0]=4 66 B12R2.1081 FC1=C2CCNCC2=CC=C1 CS19337 [1,0,0,1,0,0|0,1,0]=3 67 B12R2.1081 FC1=C2CCNCC2=CC=C1 MC431444 [1,0,0,1,0,0|0,1,0]=3 68 B12R2.1081 O=C1NC=CC2=C1CCNC2 MC100148 [1,0,0,1,0,0|2,0,0]=4 69 B12R2.1081 OC1=CC=CC2=C1CCNC2 MC425651 [1,0,0,1,0,0|1,0,0]=3 70 B12R2.22 NC1CC(C2=CC=CC=C2)C1 MC103854 [1,0,0,1,0,0|2,0,0]=4 71 B12R2.22 NC1CC(C2=CC=CC=C2)C1 MC103855 [1,0,0,1,0,0|2,0,0]=4 72 B12R2.22 NC1CC(C2=CC=CC=C2)C1 MC105059 [1,0,0,1,0,0|2,0,0]=4 73 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 MC105058 [1,0,0,1,0,0|2,0,0]=4 74 B12R2.2403 CC1(C)NCC2=CC=CC=C21 MC101956 [1,0,0,1,0,0|2,0,0]=4 75 B12R2.202 O=C1CC2=CC=CC(Cl)=C2C1 CS22741 [0,0,0,1,1,0|2,0,0]=4 76 B14R2.8052 CC1CC(C)(C)C2=C1C(N)=CC=C2 MC431072 [0,1,0,1,0,0|2,0,0]=4 77 B10R1.18 CC(Br)CC1=CC=CC=C1 MC41813 [1,0,0,0,1,0|2,0,0]=4 78 B10R1.18 CC(C)NC1=CC=CC=C1 CS11787 [1,0,0,0,1,0|2,0,0]=4 79 B10R1.18 CC(C)OC1=CC=CC=C1 MC41360 [1,0,0,0,1,0|2,0,0]=4 80 B10R1.61 CC(=O)C1=C(Cl)C=CC=C1 MC41234 [0,0,0,0,2,0|2,0,0]=4 81 B10R1.61 CC(C)C1=C(Br)C=CC=C1 CS19988 [0,0,0,0,2,0|1,1,0]=4 82 B10R1.61 CC(O)C1=C(Cl)C=CC=C1 CS13547 [0,0,0,0,2,0|2,0,0]=4 83 B10R1.61 CN(C)C1=C(Br)C=CC=C1 MC20183 [0,0,0,0,2,0|0,1,0]=3 84 B10R1.61 CN(C)C1=C(Cl)C=CC=C1 MC20288 [0,0,0,0,2,0|0,0,0]=2 85 B10R1.61 CN(C)C1=C(F)C=CC=C1 MC20285 [0,0,0,0,2,0|0,1,0]=3 86 B10R1.61 CN(C)C1=C(O)C=CC=C1 CS14782 [0,0,0,0,2,0|1,0,0]=3 87 B10R1.61 CN(C)C1=CC=CC=C1N CS14204 [0,0,0,0,2,0|1,0,0]=3