0 B11R1.166 CC(N)C1=CC=C(F)C=C1F 4031175 [0,0,0,0,0,0|3,0,0]=3 1 B11R1.166 CC1=C(N(C)C)C=CC(N)=C1 4036059 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.166 CC1=CC(N)=C(N(C)C)C=C1 4027551 [0,0,0,0,0,0|2,0,0]=2 3 B11R1.166 CC1=CC(N)=C(N(C)C)C=C1 4091007 [0,0,0,0,0,0|2,0,0]=2 4 B11R1.166 CN(C)C1=C(Cl)C=C(N)C=C1 4028308 [0,0,0,0,0,0|3,0,0]=3 5 B11R1.166 CN(C)C1=C(F)C=C(N)C=C1 4034820 [0,0,0,0,0,0|3,0,0]=3 6 B11R1.166 CN(C)C1=C(F)C=C(N)C=C1 4090735 [0,0,0,0,0,0|3,0,0]=3 7 B11R1.166 CN(C)C1=C(N)C=C(Br)C=C1 4029249 [0,0,0,0,0,0|3,0,0]=3 8 B11R1.166 CN(C)C1=C(N)C=C(Cl)C=C1 4030523 [0,0,0,0,0,0|3,0,0]=3 9 B11R1.166 CN(C)C1=C(N)C=C(Cl)C=C1 4087916 [0,0,0,0,0,0|3,0,0]=3 10 B11R1.166 C[C@@H](N)C1=C(F)C=C(F)C=C1 4103619 [0,0,0,0,0,0|3,0,0]=3 11 B11R1.166 C[C@H](N)C1=C(F)C=C(F)C=C1 4107521 [0,0,0,0,0,0|3,0,0]=3 12 B10R1.13 CC(=O)C1=NC=C(C)C=C1 4032792 [1,0,0,0,0,0|2,0,1]=4 13 B10R1.13 CC(C)C1=CN=C(Cl)N=C1 4043859 [1,0,0,0,0,0|3,0,0]=4 14 B10R1.13 CC(C)C1=CNC(=O)N=C1 4044144 [1,0,0,0,0,0|3,0,0]=4 15 B10R1.13 CC(N)C1=CC=C(O)C=C1 4026855 [1,0,0,0,0,0|2,0,0]=3 16 B10R1.13 CC(N)C1=CC=C(O)C=C1 4088847 [1,0,0,0,0,0|2,0,0]=3 17 B10R1.13 CC1=CC=C(B(O)O)C=C1 4200596 [1,0,0,0,0,0|3,0,0]=4 18 B10R1.13 CC1=CN=C(C(C)N)C=C1 4032650 [1,0,0,0,0,0|2,0,0]=3 19 B10R1.13 CN(C)C1=NC=C(N)C=C1 4108176 [1,0,0,0,0,0|3,0,0]=4 20 B10R1.25 CC1=CC=C(C=O)C(O)=C1 4002351 [1,0,0,0,0,0|1,0,1]=3 21 B10R1.25 CCC1=C(Cl)N=C(C)N=C1 4026638 [1,0,0,0,0,0|3,0,0]=4 22 B10R1.25 CCC1=C(O)N=C(N)N=C1 4026648 [1,0,0,0,0,0|3,0,0]=4 23 B10R1.25 CCC1=CC=C(C)C=C1O 4024388 [1,0,0,0,0,0|0,0,0]=1 24 B10R1.25 COC1=C(Br)C=C(C)N=C1 4056264 [1,0,0,0,0,0|3,0,0]=4 25 B10R1.25 COC1=C(Br)N=C(C)C=C1 4030251 [1,0,0,0,0,0|3,0,0]=4 26 B10R1.25 NCC1=C(O)C=C(O)C=C1 4026995 [1,0,0,0,0,0|2,0,0]=3 27 B10R1.61 CC(N)C1=C(Cl)C=CC=C1 4102676 [1,0,0,0,0,0|2,0,0]=3 28 B10R1.61 CC(N)C1=C(O)C=CC=C1 4027030 [1,0,0,0,0,0|1,0,0]=2 29 B10R1.61 CC1=CC=CN=C1C(C)N 4027822 [1,0,0,0,0,0|3,0,0]=4 30 B10R1.61 CN(C)C1=C(N)C=CC=C1 5657224 [1,0,0,0,0,0|2,0,0]=3 31 B10R1.61 CN(C)C1=NC=CC=C1N 4036131 [1,0,0,0,0,0|3,0,0]=4 32 B10R1.61 C[C@@H](N)C1=C(Cl)C=CC=C1 4107864 [1,0,0,0,0,0|2,0,0]=3 33 B10R1.61 C[C@H](N)C1=C(Cl)C=CC=C1 4096051 [1,0,0,0,0,0|2,0,0]=3 34 B12R1.452 CN(C)C1=C(Br)C=C(C=O)C=C1 6052841 [0,1,0,0,0,0|2,0,1]=4 35 B12R1.1703 CCC(=O)C1=CC=C(C)C=C1C 4303057 [0,1,0,0,0,0|2,0,1]=4 36 B12R1.1703 CCC(N)C1=C(C)C=C(C)C=C1 4019831 [0,1,0,0,0,0|2,0,0]=3 37 B12R1.1703 CCC(N)C1=C(C)C=C(C)C=C1 4088582 [0,1,0,0,0,0|2,0,0]=3 38 B12R1.1703 CC[C@@H](N)C1=CC=C(C)C=C1C 4103962 [0,1,0,0,0,0|2,0,0]=3 39 B12R1.1703 CC[C@H](N)C1=CC=C(C)C=C1C 4092139 [0,1,0,0,0,0|2,0,0]=3 40 B12R2.612 CC1=NOC2=CC(O)=CC=C21 4043535 [0,0,0,1,0,0|2,0,1]=4 41 B10R1.59 CC1=NN(C(C)C)C(N)=C1 4013082 [0,0,0,0,1,0|3,0,0]=4 42 B10R1.194 CC1=C(N)N(C(C)C)N=C1 4035128 [0,0,0,0,1,0|3,0,0]=4 43 B12R1.233 CC(=O)NC1=C(O)C=C(C)C=C1 4032446 [0,0,0,0,0,1|1,0,1]=3 44 B12R1.233 CC(=O)NC1=CC=C(C)C=C1N 4028039 [0,0,0,0,0,1|2,0,1]=4 45 B12R1.233 CC(C)OC1=C(Cl)C=C(N)C=C1 4026782 [0,0,0,0,0,1|2,0,0]=3 46 B9R1.15 NCC1=CC=CC=C1Br 4108297 [2,0,0,0,0,0|2,0,0]=4 47 B9R1.69 CC1=CN=C(C)C=C1Cl 4055511 [2,0,0,0,0,0|2,0,0]=4 48 B11R1.3 CCC1=CC=C(C(C)N)C=C1 4003786 [1,1,0,0,0,0|1,0,0]=3 49 B11R1.3 CCC1=CC=C(C(C)N)C=C1 4087794 [1,1,0,0,0,0|1,0,0]=3 50 B11R1.3 CCC1=CC=C([C@@H](C)N)C=C1 4106468 [1,1,0,0,0,0|1,0,0]=3 51 B11R1.3 CCC1=CC=C([C@H](C)N)C=C1 4092777 [1,1,0,0,0,0|1,0,0]=3 52 B11R1.3 CN(C)C1=NC=C(CO)C=C1 4036033 [1,1,0,0,0,0|2,0,0]=4 53 B11R1.21 CC(=O)C1=CC(N)=C(C)C=C1 4033239 [1,1,0,0,0,0|1,0,1]=4 54 B11R1.21 CC(=O)C1=CC(N)=C(C)C=C1 4091214 [1,1,0,0,0,0|1,0,1]=4 55 B11R1.21 CC(C)C1=CC(N)=C(O)C=C1 4030757 [1,1,0,0,0,0|1,0,0]=3 56 B11R1.21 CC1=C(C)C=C(C(C)N)C=C1 4003760 [1,1,0,0,0,0|1,0,0]=3 57 B11R1.21 CC1=C(N)C=C(N(C)C)C=C1 4033478 [1,1,0,0,0,0|1,0,0]=3 58 B11R1.21 CC1=C(N)C=C(N(C)C)C=C1 4087931 [1,1,0,0,0,0|1,0,0]=3 59 B11R1.21 CC1=CC=C([C@@H](C)N)C=C1C 4099868 [1,1,0,0,0,0|1,0,0]=3 60 B11R1.21 CC1=CC=C([C@H](C)N)C=C1C 4091453 [1,1,0,0,0,0|1,0,0]=3 61 B11R1.22 CCC(N)C1=CC=C(C)C=C1 4006321 [1,1,0,0,0,0|1,0,0]=3 62 B11R1.22 CCC(N)C1=CC=C(C)C=C1 4089191 [1,1,0,0,0,0|1,0,0]=3 63 B11R1.22 CCC(N)C1=CC=C(F)C=C1 4110680 [1,1,0,0,0,0|2,0,0]=4 64 B11R1.22 CCC(N)C1=CC=C(O)C=C1 4028779 [1,1,0,0,0,0|2,0,0]=4 65 B11R1.22 CCC(N)C1=NC=C(C)C=C1 4034627 [1,1,0,0,0,0|2,0,0]=4 66 B11R1.22 CCC(N)C1=NC=C(C)C=C1 4089751 [1,1,0,0,0,0|2,0,0]=4 67 B11R1.22 CCC(O)C1=CC=C(Br)C=C1 5101702 [1,1,0,0,0,0|2,0,0]=4 68 B11R1.22 CC[C@@H](N)C1=CC=C(Cl)C=C1 4105606 [1,1,0,0,0,0|2,0,0]=4 69 B11R1.22 CC[C@@H](N)C1=CC=C(F)C=C1 4104518 [1,1,0,0,0,0|2,0,0]=4 70 B11R1.22 CC[C@H](N)C1=CC=C(Cl)C=C1 4095607 [1,1,0,0,0,0|2,0,0]=4 71 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 4107200 [1,1,0,0,0,0|2,0,0]=4 72 B11R1.22 CNC(C)C1=CC=C(Cl)C=C1 5588069 [1,1,0,0,0,0|1,0,0]=3 73 B11R1.22 CNC(C)C1=CC=C(F)C=C1 4027169 [1,1,0,0,0,0|1,0,0]=3 74 B11R1.22 CNC(C)C1=CC=C(F)C=C1 4090293 [1,1,0,0,0,0|1,0,0]=3 75 B11R1.22 NC(CO)C1=CC=C(F)C=C1 4039922 [1,1,0,0,0,0|2,0,0]=4 76 B11R1.37 COC1=CC(C)=CC=C1C=O 4004828 [1,1,0,0,0,0|1,0,1]=4 77 B11R1.81 CCOC1=C(Cl)C=C(N)C=C1 4027242 [1,1,0,0,0,0|2,0,0]=4 78 B11R1.279 COC1=C(O)C=C(CO)N=C1 4037173 [1,1,0,0,0,0|2,0,0]=4 79 B11R1.53 CN(C)C1=NC=CC=C1CO 4036027 [1,1,0,0,0,0|2,0,0]=4 80 B11R1.87 CC(C)(O)C1=C(N)C=CC=C1 4043465 [1,1,0,0,0,0|1,0,0]=3 81 B11R1.159 CC(O)C1=CC=CC(Br)=C1F 4108266 [1,1,0,0,0,0|2,0,0]=4 82 B11R1.167 CC1=CC=C(C)C(C(C)N)=C1 4003778 [1,1,0,0,0,0|2,0,0]=4 83 B11R1.167 CC1=CC=C(C)C([C@@H](C)N)=C1 4107485 [1,1,0,0,0,0|2,0,0]=4 84 B11R1.167 CC1=CC=C(C)C([C@H](C)N)=C1 4101576 [1,1,0,0,0,0|2,0,0]=4 85 B11R1.167 CC1=CC=C(N)C=C1N(C)C 4031464 [1,1,0,0,0,0|2,0,0]=4 86 B13R1.51 CC(C)OC1=C(CN)C=C(Cl)C=C1 4027006 [0,1,0,0,0,1|2,0,0]=4 87 B13R1.51 CC(C)OC1=C(CN)C=C(Cl)C=C1 4090995 [0,1,0,0,0,1|2,0,0]=4 88 B13R1.51 CC(C)OC1=CC=C(Cl)C=C1C=O 3014157 [0,1,0,0,0,1|1,0,1]=4 89 B13R1.961 CCN(CC)C1=C(N)C=C(C)C=C1 4027004 [0,2,0,0,0,0|2,0,0]=4 90 B11R2.34 BrC1=CC=C(C2CC2)C=C1 4022408 [1,0,0,1,0,0|1,0,0]=3 91 B11R2.36 BrC1=CC2=C(C=C1)CCO2 4070587 [1,0,0,1,0,0|1,0,0]=3 92 B11R2.1 NC1COC2=CC=CC=C21 4018205 [1,0,0,1,0,0|1,0,0]=3 93 B13R2.3051 CC1(C)CC2=CC(Br)=CC=C2N1 4037329 [0,0,0,1,0,1|2,0,0]=4 94 B9R1.35 CC1=NNC(C(C)C)=C1 4035799 [1,0,0,0,1,0|2,0,0]=4 95 B9R1.35 CC1=NNC(C(C)C)=C1 4091031 [1,0,0,0,1,0|2,0,0]=4 96 B11R1.20 CC(C)NC1=CC=C(Br)C=C1 4089951 [1,0,0,0,0,1|1,0,0]=3 97 B11R1.20 CC(C)NC1=CC=C(Br)C=C1 5940253 [1,0,0,0,0,1|1,0,0]=3 98 B11R1.86 CC(C)OC1=CC=CC=C1N 4003147 [1,0,0,0,0,1|1,0,0]=3 99 B11R1.86 CC(C)OC1=CC=CC=C1N 4089404 [1,0,0,0,0,1|1,0,0]=3 100 B11R1.86 CC(C)SC1=CC=CC=C1N 9071574 [1,0,0,0,0,1|1,0,0]=3 101 B11R1.86 CN(C)CC1=CC=CC=C1N 4016941 [1,0,0,0,0,1|2,0,0]=4 102 B11R1.86 CN(C)CC1=CC=CC=C1N 4089185 [1,0,0,0,0,1|2,0,0]=4 103 B11R1.74 CC1=CC(Cl)=NC(C(C)C)=N1 4017566 [0,0,0,0,1,1|2,0,0]=4