0 B11R1.21 CC(=O)C1=CC(N)=C(C)C=C1 4033239 [0,0,0,0,0,0|2,0,1]=3 1 B11R1.21 CC(=O)C1=CC(N)=C(C)C=C1 4091214 [0,0,0,0,0,0|2,0,1]=3 2 B11R1.21 CC(C)C1=CC(N)=C(O)C=C1 4030757 [0,0,0,0,0,0|2,0,0]=2 3 B11R1.21 CC1=C(C)C=C(C(C)N)C=C1 4003760 [0,0,0,0,0,0|2,0,0]=2 4 B11R1.21 CC1=C(F)C=C(B(O)O)C=C1 4003301 [0,0,0,0,0,0|4,0,0]=4 5 B11R1.21 CC1=C(N)C=C(N(C)C)C=C1 4033478 [0,0,0,0,0,0|2,0,0]=2 6 B11R1.21 CC1=C(N)C=C(N(C)C)C=C1 4087931 [0,0,0,0,0,0|2,0,0]=2 7 B11R1.21 CC1=CC=C(C(N)=O)C=C1Br 7056783 [0,0,0,0,0,0|3,0,1]=4 8 B11R1.21 CC1=CC=C([C@@H](C)N)C=C1C 4099868 [0,0,0,0,0,0|2,0,0]=2 9 B11R1.21 CC1=CC=C([C@H](C)N)C=C1C 4091453 [0,0,0,0,0,0|2,0,0]=2 10 B10R1.13 CC(=O)C1=NC=C(C)C=C1 4032792 [1,0,0,0,0,0|2,0,1]=4 11 B10R1.13 CC(C)C1=CN=C(Cl)N=C1 4043859 [1,0,0,0,0,0|3,0,0]=4 12 B10R1.13 CC(C)C1=CNC(=O)N=C1 4044144 [1,0,0,0,0,0|3,0,0]=4 13 B10R1.13 CC(N)C1=CC=C(O)C=C1 4026855 [1,0,0,0,0,0|2,0,0]=3 14 B10R1.13 CC(N)C1=CC=C(O)C=C1 4088847 [1,0,0,0,0,0|2,0,0]=3 15 B10R1.13 CC1=CC=C(B(O)O)C=C1 4200596 [1,0,0,0,0,0|3,0,0]=4 16 B10R1.13 CC1=CN=C(C(C)N)C=C1 4032650 [1,0,0,0,0,0|2,0,0]=3 17 B10R1.13 CN(C)C1=NC=C(N)C=C1 4108176 [1,0,0,0,0,0|3,0,0]=4 18 B10R1.113 CC(C)C1=CC(N)=NC=N1 4038828 [1,0,0,0,0,0|3,0,0]=4 19 B10R1.113 CC(C)C1=CC(O)=NC=N1 4039408 [1,0,0,0,0,0|2,0,0]=3 20 B10R1.113 CC(C)C1=CC=CC(Br)=C1 4045144 [1,0,0,0,0,0|1,0,0]=2 21 B10R1.113 CC(C)C1=CC=CC(Br)=N1 4037569 [1,0,0,0,0,0|2,0,0]=3 22 B10R1.113 CC(C)C1=CC=CC(O)=N1 4039550 [1,0,0,0,0,0|1,0,0]=2 23 B10R1.113 CC(C)C1=CC=NC(N)=N1 4038131 [1,0,0,0,0,0|3,0,0]=4 24 B10R1.113 CC(C)C1=CC=NC(O)=N1 4038178 [1,0,0,0,0,0|2,0,0]=3 25 B10R1.113 CC(O)C1=NC(Br)=CC=C1 4032641 [1,0,0,0,0,0|3,0,0]=4 26 B10R1.113 CC1=CC(C(C)N)=NC=C1 4033261 [1,0,0,0,0,0|3,0,0]=4 27 B10R1.113 CC1=CC=CC(C(C)N)=N1 4034468 [1,0,0,0,0,0|3,0,0]=4 28 B10R1.113 C[C@@H](N)C1=CC=CC(Cl)=C1 4098754 [1,0,0,0,0,0|2,0,0]=3 29 B10R1.176 C(=O)C1=CC(Br)=C(C)C=C1 4017458 [1,0,0,0,0,0|2,0,1]=4 30 B10R1.176 CC1=C(C)N=CC(CN)=C1 4035699 [1,0,0,0,0,0|3,0,0]=4 31 B10R1.176 CCC1=CC(N)=C(O)C=C1 4034479 [1,0,0,0,0,0|2,0,0]=3 32 B10R1.176 COC1=CC(N)=C(O)C=C1 4032274 [1,0,0,0,0,0|3,0,0]=4 33 B10R1.176 COC1=CC(N)=C(O)C=C1 4088485 [1,0,0,0,0,0|3,0,0]=4 34 B10R1.176 COC1=CC=C(N)C(F)=C1 4030309 [1,0,0,0,0,0|3,0,0]=4 35 B10R1.176 COC1=CC=C(N)C(F)=C1 4088880 [1,0,0,0,0,0|3,0,0]=4 36 B10R1.176 OCC1=NC=C(O)C(O)=C1 4001621 [1,0,0,0,0,0|3,0,0]=4 37 B12R1.23 CC1=C(N)C=C(S(C)(=O)=O)C=C1 4043521 [0,1,0,0,0,0|3,0,0]=4 38 B12R1.48 COC1=C(C)C=C(C(C)N)C=C1 4043208 [0,1,0,0,0,0|2,0,0]=3 39 B12R1.48 COC1=C(C)C=C(C(C)N)C=C1 4088080 [0,1,0,0,0,0|2,0,0]=3 40 B12R1.48 COC1=C(F)C=C(C(C)N)C=C1 4004113 [0,1,0,0,0,0|2,0,0]=3 41 B12R1.48 COC1=C(N)C=C(C(C)=O)C=C1 4032179 [0,1,0,0,0,0|2,0,1]=4 42 B12R1.367 CC1=CC=C(C(=O)CCl)C=C1C 4032725 [0,1,0,0,0,0|2,0,1]=4 43 B12R1.367 CCC(=O)C1=CC=C(C)C(C)=C1 4303058 [0,1,0,0,0,0|2,0,1]=4 44 B12R1.367 CCC(N)C1=CC(C)=C(C)C=C1 4032465 [0,1,0,0,0,0|2,0,0]=3 45 B12R1.367 CCC(N)C1=CC(C)=C(C)C=C1 4088468 [0,1,0,0,0,0|2,0,0]=3 46 B12R1.367 CC[C@@H](N)C1=CC=C(C)C(C)=C1 4093962 [0,1,0,0,0,0|2,0,0]=3 47 B12R1.367 CC[C@H](N)C1=CC=C(C)C(C)=C1 4092259 [0,1,0,0,0,0|2,0,0]=3 48 B12R1.367 CNC(=O)C1=CC(N)=C(C)C=C1 4027660 [0,1,0,0,0,0|2,0,1]=4 49 B10R1.58 CC1=NN(C(C)C)C=C1Br 4041486 [0,0,0,0,1,0|3,0,0]=4 50 B10R1.58 CC1=NN(C(C)C)C=C1I 4040312 [0,0,0,0,1,0|3,0,0]=4 51 B10R1.194 CC1=C(N)N(C(C)C)N=C1 4035128 [0,0,0,0,1,0|3,0,0]=4 52 B12R1.19 CC(=O)NC1=CC=C(C)C(N)=C1 4027038 [0,0,0,0,0,1|2,0,1]=4 53 B9R1.2 C=CC1=CC=CC(O)=C1 4081750 [2,0,0,0,0,0|0,0,2]=4 54 B9R1.2 CCC1=CC(O)=NC=N1 4038765 [2,0,0,0,0,0|2,0,0]=4 55 B9R1.69 CC1=CN=C(C)C=C1Cl 4055511 [2,0,0,0,0,0|2,0,0]=4 56 B11R1.3 CCC1=CC=C(C(C)N)C=C1 4003786 [1,1,0,0,0,0|1,0,0]=3 57 B11R1.3 CCC1=CC=C(C(C)N)C=C1 4087794 [1,1,0,0,0,0|1,0,0]=3 58 B11R1.3 CCC1=CC=C([C@@H](C)N)C=C1 4106468 [1,1,0,0,0,0|1,0,0]=3 59 B11R1.3 CCC1=CC=C([C@H](C)N)C=C1 4092777 [1,1,0,0,0,0|1,0,0]=3 60 B11R1.3 CN(C)C1=NC=C(CO)C=C1 4036033 [1,1,0,0,0,0|2,0,0]=4 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 B11R1.166 CC(N)C1=CC=C(F)C=C1F 4031175 [1,1,0,0,0,0|2,0,0]=4 77 B11R1.166 CC1=C(N(C)C)C=CC(N)=C1 4036059 [1,1,0,0,0,0|2,0,0]=4 78 B11R1.166 CC1=CC(N)=C(N(C)C)C=C1 4027551 [1,1,0,0,0,0|1,0,0]=3 79 B11R1.166 CC1=CC(N)=C(N(C)C)C=C1 4091007 [1,1,0,0,0,0|1,0,0]=3 80 B11R1.166 CN(C)C1=C(Cl)C=C(N)C=C1 4028308 [1,1,0,0,0,0|2,0,0]=4 81 B11R1.166 CN(C)C1=C(F)C=C(N)C=C1 4034820 [1,1,0,0,0,0|2,0,0]=4 82 B11R1.166 CN(C)C1=C(F)C=C(N)C=C1 4090735 [1,1,0,0,0,0|2,0,0]=4 83 B11R1.166 CN(C)C1=C(N)C=C(Br)C=C1 4029249 [1,1,0,0,0,0|2,0,0]=4 84 B11R1.166 CN(C)C1=C(N)C=C(Cl)C=C1 4030523 [1,1,0,0,0,0|2,0,0]=4 85 B11R1.166 CN(C)C1=C(N)C=C(Cl)C=C1 4087916 [1,1,0,0,0,0|2,0,0]=4 86 B11R1.166 C[C@@H](N)C1=C(F)C=C(F)C=C1 4103619 [1,1,0,0,0,0|2,0,0]=4 87 B11R1.166 C[C@H](N)C1=C(F)C=C(F)C=C1 4107521 [1,1,0,0,0,0|2,0,0]=4 88 B11R1.155 CC(C)(O)C1=CC(Br)=CN=C1 4047486 [1,1,0,0,0,0|2,0,0]=4 89 B11R1.159 CC(O)C1=CC=CC(Br)=C1F 4108266 [1,1,0,0,0,0|2,0,0]=4 90 B11R1.167 CC1=CC=C(C)C(C(C)N)=C1 4003778 [1,1,0,0,0,0|2,0,0]=4 91 B11R1.167 CC1=CC=C(C)C([C@@H](C)N)=C1 4107485 [1,1,0,0,0,0|2,0,0]=4 92 B11R1.167 CC1=CC=C(C)C([C@H](C)N)=C1 4101576 [1,1,0,0,0,0|2,0,0]=4 93 B11R1.167 CC1=CC=C(N)C=C1N(C)C 4031464 [1,1,0,0,0,0|2,0,0]=4 94 B11R1.266 CN(C)C1=NC=CC(CO)=C1 4034971 [1,1,0,0,0,0|2,0,0]=4 95 B11R1.192 CCNC1=CC=C(Br)C(C)=C1 4029408 [1,1,0,0,0,0|2,0,0]=4 96 B11R1.192 CCOC1=CC=C(N)C(F)=C1 4030157 [1,1,0,0,0,0|2,0,0]=4 97 B11R1.279 COC1=C(O)C=C(CO)N=C1 4037173 [1,1,0,0,0,0|2,0,0]=4 98 B13R1.144 CCOC1=C(F)C=C(C(C)N)C=C1 4028976 [0,2,0,0,0,0|2,0,0]=4 99 B11R2.34 BrC1=CC=C(C2CC2)C=C1 4022408 [1,0,0,1,0,0|1,0,0]=3 100 B11R2.35 OC1=NC=NC(C2CC2)=C1 4037502 [1,0,0,1,0,0|2,0,0]=4 101 B9R1.35 CC1=NNC(C(C)C)=C1 4035799 [1,0,0,0,1,0|2,0,0]=4 102 B9R1.35 CC1=NNC(C(C)C)=C1 4091031 [1,0,0,0,1,0|2,0,0]=4 103 B11R1.20 CC(C)NC1=CC=C(Br)C=C1 4089951 [1,0,0,0,0,1|1,0,0]=3 104 B11R1.20 CC(C)NC1=CC=C(Br)C=C1 5940253 [1,0,0,0,0,1|1,0,0]=3