0 B8R1.3 BrC1=CN=C(I)C=C1 4045186 [0,0,0,0,0,0|3,0,0]=3 1 B8R1.3 CC1=CN=C(N)N=C1 5264664 [0,0,0,0,0,0|4,0,0]=4 2 B8R1.3 CC1=CN=C(O)N=C1 4044366 [0,0,0,0,0,0|3,0,0]=3 3 B8R1.3 CC1=NC=C(Br)C=N1 4044350 [0,0,0,0,0,0|4,0,0]=4 4 B8R1.3 FC1=CN=C(Br)N=C1 4092756 [0,0,0,0,0,0|4,0,0]=4 5 B8R1.3 NC1=CC=C(I)C=N1 3001813 [0,0,0,0,0,0|3,0,0]=3 6 B8R1.3 OC1=CC=C(O)N=C1 4030644 [0,0,0,0,0,0|1,0,0]=1 7 B8R1.3 OC1=NN=C(Br)C=C1 4035405 [0,0,0,0,0,0|3,0,0]=3 8 B7R1.3 NC1=NN=CC=C1 4030375 [1,0,0,0,0,0|3,0,0]=4 9 B9R1.1 C#CC1=CC=C(C)C=N1 4035578 [0,1,0,0,0,0|3,0,0]=4 10 B9R1.1 C#CC1=CC=C(C)N=C1 4035058 [0,1,0,0,0,0|3,0,0]=4 11 B9R1.1 C#CC1=CN=C(N)C=C1 4042859 [0,1,0,0,0,0|3,0,0]=4 12 B9R1.1 CC1=CN=C(CO)C=N1 4037601 [0,1,0,0,0,0|3,0,0]=4 13 B9R1.1 CCC1=CN=C(O)N=C1 4044733 [0,1,0,0,0,0|3,0,0]=4 14 B9R1.1 CNC1=NC=C(Br)C=C1 4031713 [0,1,0,0,0,0|3,0,0]=4 15 B9R1.1 CNC1=NC=C(I)C=C1 4087606 [0,1,0,0,0,0|3,0,0]=4 16 B9R1.1 COC1=NN=C(Br)C=C1 4040879 [0,1,0,0,0,0|3,0,0]=4 17 B9R1.1 CSC1=CN=C(Br)C=C1 4028893 [0,1,0,0,0,0|2,1,0]=4 18 B9R1.1 N#CC1=COC(=O)C=C1 4076346 [0,1,0,0,0,0|2,0,1]=4 19 B9R1.69 CC1=C(Br)C=CC(Cl)=N1 4108304 [0,1,0,0,0,0|3,0,0]=4 20 B9R1.69 CC1=C(C)N=C(Br)C=C1 4036062 [0,1,0,0,0,0|3,0,0]=4 21 B9R1.69 CC1=C(C)N=C(Cl)C=C1 4031009 [0,1,0,0,0,0|3,0,0]=4 22 B9R1.69 CC1=C(C)N=CC(O)=C1 4042425 [0,1,0,0,0,0|2,0,0]=3 23 B9R1.69 CC1=C(C)NC(=O)C=C1 4034896 [0,1,0,0,0,0|2,0,1]=4 24 B9R1.69 CC1=CN=C(C)C=C1Cl 4055511 [0,1,0,0,0,0|3,0,0]=4 25 B9R1.69 CC1=CN=C(N)C(C)=C1 4043653 [0,1,0,0,0,0|3,0,0]=4 26 B9R1.69 CC1=CN=C(O)C=C1C 4051285 [0,1,0,0,0,0|2,0,0]=3 27 B9R1.69 CC1=CN=C(O)N=C1C 4038318 [0,1,0,0,0,0|3,0,0]=4 28 B9R1.69 CC1=NC(Cl)=CC=C1Cl 4050886 [0,1,0,0,0,0|3,0,0]=4 29 B9R1.69 CC1=NC(N)=CC=C1I 4029456 [0,1,0,0,0,0|3,0,0]=4 30 B9R1.69 NC1=C(F)N=CC(Cl)=C1 4041624 [0,1,0,0,0,0|3,0,0]=4 31 B9R1.69 NC1=CC(Br)=CN=C1Cl 4108308 [0,1,0,0,0,0|3,0,0]=4 32 B9R1.69 NC1=CC=C(Br)C(N)=N1 4029327 [0,1,0,0,0,0|3,0,0]=4 33 B7R1.2 NC1=CC(O)=NO1 4085320 [0,0,0,0,1,0|3,0,0]=4 34 B8R1.2 BrCC1=CN=CC=C1 4034752 [1,1,0,0,0,0|2,0,0]=4 35 B8R1.2 NNC1=CC=CN=C1 4019584 [1,1,0,0,0,0|2,0,0]=4 36 B8R1.2 NNC1=CC=NC=C1 4100548 [1,1,0,0,0,0|2,0,0]=4 37 B8R1.4 CC1=CC(O)=NN=C1 4108288 [1,1,0,0,0,0|2,0,0]=4 38 B8R1.4 CC1=CC=NC(O)=N1 4040424 [1,1,0,0,0,0|2,0,0]=4 39 B8R1.4 CC1=CC=NC(O)=N1 4089730 [1,1,0,0,0,0|2,0,0]=4 40 B8R1.4 CC1=NC=CC(Br)=C1 4014101 [1,1,0,0,0,0|2,0,0]=4 41 B8R1.4 NC1=CC(Br)=CC=N1 4029341 [1,1,0,0,0,0|2,0,0]=4 42 B8R1.4 NC1=CC(Br)=CN=C1 4006048 [1,1,0,0,0,0|2,0,0]=4 43 B8R1.4 OC1=NC(Cl)=CN=C1 4042614 [1,1,0,0,0,0|2,0,0]=4 44 B8R1.5 CC1=C(Br)C=CN=C1 4014100 [1,1,0,0,0,0|2,0,0]=4 45 B8R1.5 CC1=C(Br)C=CN=C1 4090923 [1,1,0,0,0,0|2,0,0]=4 46 B8R1.5 CC1=C(O)N=CN=C1 4043028 [1,1,0,0,0,0|2,0,0]=4 47 B8R1.5 NC1=CC=CN=C1O 4034758 [1,1,0,0,0,0|1,0,0]=3 48 B10R1.1 CC1=CC=C(CNN)C=C1 4015023 [0,2,0,0,0,0|2,0,0]=4 49 B10R1.1 CC1=CC=C(CNN)C=C1 4088792 [0,2,0,0,0,0|2,0,0]=4 50 B10R1.1 CCSC1=CC=C(N)C=C1 4027323 [0,2,0,0,0,0|1,1,0]=4 51 B10R1.1 CCSC1=CC=C(N)C=C1 4088201 [0,2,0,0,0,0|1,1,0]=4 52 B10R1.1 CNCC1=CC=C(C)C=C1 4004536 [0,2,0,0,0,0|2,0,0]=4 53 B10R1.1 NNCC1=CC=C(Cl)C=C1 4014992 [0,2,0,0,0,0|2,0,0]=4 54 B10R1.1 NNCC1=CC=C(Cl)C=C1 4108287 [0,2,0,0,0,0|2,0,0]=4 55 B10R1.1 NNCC1=CC=C(F)C=C1 4014991 [0,2,0,0,0,0|2,0,0]=4 56 B10R1.1 NOCC1=CC=C(Cl)C=C1 4004196 [0,2,0,0,0,0|1,0,0]=3 57 B10R1.1 OCCC1=CC=C(Br)C=C1 4108291 [0,2,0,0,0,0|1,0,0]=3 58 B10R1.3 C#CC1=CC=C(C=O)C=C1 4003406 [0,2,0,0,0,0|1,0,1]=4 59 B10R1.3 CCC1=CN=C(CO)C=C1 4011741 [0,2,0,0,0,0|2,0,0]=4 60 B10R1.13 CC(N)C1=CC=C(O)C=C1 4026855 [0,2,0,0,0,0|1,0,0]=3 61 B10R1.13 CC(N)C1=CC=C(O)C=C1 4088847 [0,2,0,0,0,0|1,0,0]=3 62 B10R1.13 CC1=CC=C(B(O)O)C=C1 4200596 [0,2,0,0,0,0|1,0,0]=3 63 B10R1.13 N=C(N)C1=CC=C(Br)C=C1 4012620 [0,2,0,0,0,0|2,0,0]=4 64 B10R1.13 N=C(N)C1=CC=C(F)C=C1 4031955 [0,2,0,0,0,0|2,0,0]=4 65 B10R1.13 OB(O)C1=CC=C(Cl)C=C1 4089129 [0,2,0,0,0,0|1,0,0]=3 66 B10R1.13 OB(O)C1=CC=C(Cl)C=C1 4201816 [0,2,0,0,0,0|1,0,0]=3 67 B10R1.25 CC1=CC=C(C=O)C(O)=C1 4002351 [0,2,0,0,0,0|1,0,1]=4 68 B10R1.25 CCC1=CC=C(C)C=C1O 4024388 [0,2,0,0,0,0|2,0,0]=4 69 B10R1.25 COC1=C(Br)C=C(C)N=C1 4056264 [0,2,0,0,0,0|2,0,0]=4 70 B10R1.25 COC1=C(Br)N=C(C)C=C1 4030251 [0,2,0,0,0,0|2,0,0]=4 71 B10R1.25 NCC1=C(O)C=C(O)C=C1 4026995 [0,2,0,0,0,0|1,0,0]=3 72 B10R1.176 C(=O)C1=CC(Br)=C(C)C=C1 4017458 [0,2,0,0,0,0|1,0,1]=4 73 B10R1.176 CCC1=CC(N)=C(O)C=C1 4034479 [0,2,0,0,0,0|1,0,0]=3 74 B10R1.176 COC1=CC(N)=C(O)C=C1 4032274 [0,2,0,0,0,0|0,0,0]=2 75 B10R1.176 COC1=CC(N)=C(O)C=C1 4088485 [0,2,0,0,0,0|0,0,0]=2 76 B10R1.176 COC1=CC=C(N)C(F)=C1 4030309 [0,2,0,0,0,0|1,0,0]=3 77 B10R1.176 COC1=CC=C(N)C(F)=C1 4088880 [0,2,0,0,0,0|1,0,0]=3 78 B10R1.176 N#CC1=CC=C(O)C(N)=C1 4030547 [0,2,0,0,0,0|1,0,0]=3 79 B10R1.176 O=CC1=CC=C(O)C(F)=C1 4303011 [0,2,0,0,0,0|0,0,1]=3 80 B10R1.176 OCC1=NC=C(O)C(O)=C1 4001621 [0,2,0,0,0,0|1,0,0]=3 81 B10R1.22 CC1=CC(Cl)=CC(N)=C1N 4030835 [0,2,0,0,0,0|2,0,0]=4 82 B10R1.22 CC1=CC(Cl)=CC(N)=C1N 4087918 [0,2,0,0,0,0|2,0,0]=4 83 B10R1.22 CC1=CC(N)=C(N)C(C)=C1 4031189 [0,2,0,0,0,0|2,0,0]=4 84 B10R1.22 CC1=CC(N)=CC(C)=C1O 4035123 [0,2,0,0,0,0|1,0,0]=3 85 B10R1.22 NC1=C(N)C(Cl)=CC(Cl)=C1 5366312 [0,2,0,0,0,0|2,0,0]=4 86 B10R1.30 CC1=CC=C(O)C(C=O)=N1 4034766 [0,2,0,0,0,0|2,0,0]=4 87 B10R1.30 CCC1=C(Br)C=CC(O)=C1 4054989 [0,2,0,0,0,0|1,0,0]=3 88 B10R1.30 CCC1=C(N)C=CC(I)=C1 9071544 [0,2,0,0,0,0|2,0,0]=4 89 B10R1.30 CCC1=CC(Cl)=CC=C1N 4040870 [0,2,0,0,0,0|2,0,0]=4 90 B10R1.30 CCC1=CC(F)=CC=C1O 4031684 [0,2,0,0,0,0|1,0,0]=3 91 B10R1.30 CCC1=NC(C)=CC=C1O 5170366 [0,2,0,0,0,0|2,0,0]=4 92 B10R1.30 COC1=C(C)C=CC(N)=C1 4030541 [0,2,0,0,0,0|2,0,0]=4 93 B10R1.30 COC1=CC(N)=CC=C1O 4030053 [0,2,0,0,0,0|1,0,0]=3 94 B10R1.30 N#CC1=C(O)C=CC(N)=C1 4044158 [0,2,0,0,0,0|1,0,0]=3 95 B10R1.30 N#CC1=CC(N)=CC=C1Br 4030306 [0,2,0,0,0,0|2,0,0]=4 96 B10R1.118 CC1=C(C)C=C(O)C(N)=C1 4030316 [0,2,0,0,0,0|1,0,0]=3 97 B10R1.118 CC1=C(Cl)C=C(N)C(N)=C1 4043707 [0,2,0,0,0,0|2,0,0]=4 98 B10R1.118 CC1=C(F)C=C(N)C(N)=C1 4086897 [0,2,0,0,0,0|2,0,0]=4 99 B10R1.118 CC1=C(O)C=C(F)C(Br)=C1 4064018 [0,2,0,0,0,0|1,0,0]=3 100 B10R1.118 CC1=CC(=O)C(O)=CN1C 4045527 [0,2,0,0,0,0|2,0,0]=4 101 B10R1.119 CC1=C(Cl)C(N)=CC=C1Cl 4028034 [0,2,0,0,0,0|2,0,0]=4 102 B10R1.119 CC1=C(O)C(Br)=CC=C1F 4061539 [0,2,0,0,0,0|2,0,0]=4 103 B10R1.119 CC1=C(O)C=CC(Br)=C1C 4085475 [0,2,0,0,0,0|1,0,0]=3 104 B10R1.119 CC1=C(O)C=CC(Br)=C1F 4051121 [0,2,0,0,0,0|1,0,0]=3 105 B10R1.119 CC1=CC=C(N)C(O)=C1C 4033632 [0,2,0,0,0,0|2,0,0]=4 106 B10R1.119 NC1=CC=C(Br)C(Cl)=C1Cl 4031844 [0,2,0,0,0,0|2,0,0]=4 107 B10R1.119 OC1=C(Cl)C(Cl)=C(Br)C=C1 4078114 [0,2,0,0,0,0|1,0,0]=3 108 B6R1.2 OC1=CNN=C1 4037184 [1,0,0,0,1,0|2,0,0]=4