0 B11R1.40 C#CC(O)CC1=CC=CC=C1 MC425691 [1,0,0,0,0,0|1,0,1]=3 1 B11R1.40 CC(C#N)NC1=CC=CC=C1 MC428132 [1,0,0,0,0,0|3,0,0]=4 2 B11R1.40 CCC(=O)CC1=CC=CC=C1 MC41289 [1,0,0,0,0,0|1,0,2]=4 3 B11R1.40 NC(CO)CC1=CC=CC=C1 CS21216 [1,0,0,0,0,0|3,0,0]=4 4 B11R1.40 NC(CO)CC1=CC=CC=C1 MC425862 [1,0,0,0,0,0|3,0,0]=4 5 B13R1.145 CCN(CC)CC1=CC=C(N)C=C1 MC443196 [0,1,0,0,0,0|3,0,0]=4 6 B13R1.418 CNC(CC1=CC=CC=C1)C(=O)O CS17818 [0,1,0,0,0,0|3,0,0]=4 7 B13R1.418 CNC(Cc1ccccc1)C(=O)O MC437926 [0,1,0,0,0,0|3,0,0]=4 8 B13R2.57 NCC1CC2=CC=CC=C2CN1 MC431478 [0,0,0,1,0,0|3,0,0]=4 9 B13R2.57 OCC1CC2=CC=CC=C2CN1 CS10025 [0,0,0,1,0,0|3,0,0]=4 10 B13R2.64 C1=CC=C(CN2CCCC2)C=C1 MC33310 [0,0,0,1,0,0|3,0,0]=4 11 B11R1.12 CCP(CC)c1ccccc1 MC444851 [0,0,0,0,1,0|3,0,0]=4 12 B11R1.12 CNC(CO)C1=CC=CC=C1 CS17955 [0,0,0,0,1,0|3,0,0]=4 13 B11R1.12 COC(OC)C1=NC=NC=C1 CS18195 [0,0,0,0,1,0|2,0,0]=3 14 B11R1.12 COC(OC)c1ccccc1 CS10959 [0,0,0,0,1,0|0,0,0]=1 15 B11R1.12 COP(OC)C1=CC=CC=C1 MC444856 [0,0,0,0,1,0|1,0,0]=2 16 B10R1.17 Br[Zn]CCc1ccccc1 MC121341 [2,0,0,0,0,0|2,0,0]=4 17 B10R1.17 CNCCC1=CC=CC=C1 MC446670 [2,0,0,0,0,0|1,0,0]=3 18 B10R1.17 NOCCC1=CC=NC=C1 MC427573 [2,0,0,0,0,0|2,0,0]=4 19 B10R1.18 CC(Br)CC1=CC=CC=C1 MC41813 [2,0,0,0,0,0|1,0,0]=3 20 B10R1.18 CC(C)NC1=CC=CC=C1 CS11787 [2,0,0,0,0,0|1,0,0]=3 21 B10R1.18 CC(C)OC1=CC=CC=C1 MC41360 [2,0,0,0,0,0|1,0,0]=3 22 B12R1.32 CN(CCO)CC1=CC=CC=C1 CS11755 [1,1,0,0,0,0|2,0,0]=4 23 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 CS13901 [1,1,0,0,0,0|0,0,2]=4 24 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 CS21181 [1,1,0,0,0,0|0,0,2]=4 25 B12R1.34 COC(=O)C(O)C1=CC=CC=C1 CS18861 [1,1,0,0,0,0|0,0,2]=4 26 B12R1.34 COC(=O)C(O)C1=CC=CC=C1 CS21098 [1,1,0,0,0,0|0,0,2]=4 27 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 CS15800 [1,1,0,0,0,0|2,0,0]=4 28 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 CS21095 [1,1,0,0,0,0|2,0,0]=4 29 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 MC438099 [1,1,0,0,0,0|2,0,0]=4 30 B12R1.49 COC(=O)CC1=CC=C(Br)C=C1 MC33263 [1,1,0,0,0,0|0,0,2]=4 31 B12R1.49 COC(=O)CC1=CC=C(C)C=C1 MC40116 [1,1,0,0,0,0|0,0,2]=4 32 B12R1.49 COC(=O)CC1=CC=C(Cl)C=C1 MC40088 [1,1,0,0,0,0|0,0,2]=4 33 B12R1.49 COC(=O)CC1=CC=C(O)C=C1 CS21113 [1,1,0,0,0,0|0,0,2]=4 34 B12R1.50 CCC(C)OC1=CC=CC(O)=C1 MC112599 [1,1,0,0,0,0|2,0,0]=4 35 B12R1.50 COC(=O)CC1=CC(Br)=CC=C1 CS20169 [1,1,0,0,0,0|0,0,2]=4 36 B12R1.50 COC(=O)CC1=CC(F)=CC=C1 MC433952 [1,1,0,0,0,0|0,0,2]=4 37 B12R1.50 COC(=O)CC1=CC(N)=CC=C1 CS15979 [1,1,0,0,0,0|0,0,2]=4 38 B12R1.50 COC(=O)CC1=CC(N)=CC=C1 MC40063 [1,1,0,0,0,0|0,0,2]=4 39 B12R1.50 COC(=O)CC1=CC(O)=CC=C1 CS22324 [1,1,0,0,0,0|0,0,2]=4 40 B12R1.194 CNC(C)(C)CC1=CC=CC=C1 MC34003 [1,1,0,0,0,0|1,0,0]=3 41 B12R1.194 CNC(C)(C)CC1=CC=CC=C1 MC34004 [1,1,0,0,0,0|1,0,0]=3 42 B12R1.371 COC(=O)CC1=C(Br)C=CC=C1 CS11591 [1,1,0,0,0,0|0,0,2]=4 43 B12R1.371 COC(=O)CC1=C(Cl)C=CC=C1 CS21677 [1,1,0,0,0,0|0,0,2]=4 44 B12R1.371 COC(=O)CC1=C(N)C=CC=C1 CS11582 [1,1,0,0,0,0|0,0,2]=4 45 B12R1.371 COC(=O)CC1=C(O)C=CC=C1 CS20138 [1,1,0,0,0,0|0,0,2]=4 46 B12R1.13 COC(OC)C1=CN=CC(Br)=C1 MC425379 [0,1,0,0,1,0|1,0,0]=3 47 B12R1.13 COC(OC)C1=NC(C)=NC=C1 MC442163 [0,1,0,0,1,0|2,0,0]=4 48 B12R1.13 COC(OC)C1=NC(N)=NC=C1 CS18033 [0,1,0,0,1,0|2,0,0]=4 49 B12R1.243 COC(OC)C1=C(I)C=CC=C1 MC20293 [0,1,0,0,1,0|0,0,0]=2 50 B12R1.243 COC(OC)C1=NC=CN=C1Cl MC104765 [0,1,0,0,1,0|2,0,0]=4 51 B12R1.478 COC(C(=O)O)c1ccccc1 MC428059 [0,1,0,0,1,0|2,0,0]=4 52 B14R1.1031 CNC(Cc1ccccc1)C(=O)OC MC437933 [0,2,0,0,0,0|1,0,0]=3 53 B14R1.1031 CNC(Cc1ccccc1)C(=O)OC MC437934 [0,2,0,0,0,0|1,0,0]=3 54 B12R2.18 CC1CC2=CC=CC=C2C1=O MC446688 [1,0,0,1,0,0|2,0,0]=4 55 B12R2.18 NC1C2=CC=CC=C2CC1O CS13576 [1,0,0,1,0,0|2,0,0]=4 56 B12R2.18 NC1C2=CC=CC=C2CC1O MC20312 [1,0,0,1,0,0|2,0,0]=4 57 B12R2.24 CC1CNC2=CC=CC=C2C1 MC33343 [1,0,0,1,0,0|2,0,0]=4 58 B12R2.24 CN1CCC2=CC=CC=C2C1 CS16157 [1,0,0,1,0,0|2,0,0]=4 59 B12R2.24 NC1CCC2=CC=CC=C2C1 CS18799 [1,0,0,1,0,0|2,0,0]=4 60 B12R2.24 NC1CCC2=CC=CC=C2C1 MC106682 [1,0,0,1,0,0|2,0,0]=4 61 B12R2.24 NC1CCC2=CC=CC=C2C1 MC106683 [1,0,0,1,0,0|2,0,0]=4 62 B12R2.32 OCC1CC2=C(C=CC=C2)O1 CS21037 [1,0,0,1,0,0|2,0,0]=4 63 B12R2.1 CNC1CCC2=CC=CC=C21 MC431440 [0,0,0,1,1,0|2,0,0]=4 64 B12R2.2 C1=CC=C(C2CCCN2)C=C1 CS11140 [0,0,0,1,1,0|2,0,0]=4 65 B12R2.2 C1=CC=C(C2CCCN2)C=C1 CS17953 [0,0,0,1,1,0|2,0,0]=4 66 B12R2.2 C1=CC=C(C2CCCN2)C=C1 MC105777 [0,0,0,1,1,0|2,0,0]=4 67 B12R2.48 CNC1(C2=CC=CC=C2)CC1 MC431934 [0,0,0,1,1,0|2,0,0]=4 68 B14R2.6 C1=CC=C(CC2CCCCN2)C=C1 MC20704 [0,1,0,1,0,0|2,0,0]=4 69 B14R2.6 C1=CC=C(CC2CNCCN2)C=C1 MC431479 [0,1,0,1,0,0|2,0,0]=4 70 B14R2.6 C1=CC=C(CC2CNCCO2)C=C1 MC20836 [0,1,0,1,0,0|1,0,0]=3 71 B14R2.6 C1=CC=C(CC2CNCCO2)C=C1 MC20837 [0,1,0,1,0,0|1,0,0]=3 72 B14R2.6 C1=CC=C(CC2CNCCO2)C=C1 MC431313 [0,1,0,1,0,0|1,0,0]=3 73 B14R2.6 C1=CC=C(CC2CNCCO2)C=C1 MC431427 [0,1,0,1,0,0|1,0,0]=3 74 B10R1.15 CC(CN)C1=CC=CC=C1 CS10909 [1,0,0,0,1,0|2,0,0]=4 75 B10R1.15 CC(CN)c1ccccc1 MC110750 [1,0,0,0,1,0|2,0,0]=4 76 B10R1.15 CC(NO)c1ccccc1 MC103844 [1,0,0,0,1,0|2,0,0]=4 77 B10R1.15 CC(NO)c1ccccc1 MC103845 [1,0,0,0,1,0|2,0,0]=4 78 B10R1.15 CCC(C)C1=CC=CC=C1 CS11947 [1,0,0,0,1,0|1,0,0]=3 79 B10R1.15 CCC(C)C1=CC=CC=C1 MC433489 [1,0,0,0,1,0|1,0,0]=3 80 B10R1.15 CCC(N)C1=CC=CC=C1 MC20337 [1,0,0,0,1,0|2,0,0]=4 81 B10R1.15 COC(=O)C1=CC=CC=C1 MC40065 [1,0,0,0,1,0|0,0,2]=4 82 B10R1.15 NCC(O)C1=CC=CC=C1 CS20485 [1,0,0,0,1,0|2,0,0]=4 83 B10R1.15 NCC(O)C1=CC=CC=C1 MC444625 [1,0,0,0,1,0|2,0,0]=4 84 B10R1.15 OC(CBr)C1=CC=CC=C1 CS18840 [1,0,0,0,1,0|2,0,0]=4 85 B12R1.27 CC(CO)NCC1=CC=CC=C1 CS11754 [1,0,0,0,0,1|2,0,0]=4 86 B12R1.27 CC(CO)OCC1=CC=CC=C1 MC106974 [1,0,0,0,0,1|2,0,0]=4 87 B12R1.27 COC(=O)CCC1=CC=CC=C1 MC433965 [1,0,0,0,0,1|0,0,2]=4