0 B9R1.8 CNCC1=CC=NC=C1 3002392 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.8 NCCC1=NC=CC=C1 3020070 [0,0,0,0,0,0|2,0,1]=3 2 B8R1.2 BrCC1=CN=CC=C1 4090400 [1,0,0,0,0,0|2,0,0]=3 3 B8R1.2 NCC1=NC=NC=C1 4102725 [1,0,0,0,0,0|3,0,0]=4 4 B8R1.2 NNC1=CC=CN=C1 4090882 [1,0,0,0,0,0|3,0,0]=4 5 B8R1.2 NNC1=CC=NC=C1 4089280 [1,0,0,0,0,0|3,0,0]=4 6 B8R1.2 O=CC1=CC=NN=C1 4015481 [1,0,0,0,0,0|2,0,0]=3 7 B10R1.1 CNCC1=CC=C(C)C=C1 4089741 [0,1,0,0,0,0|2,0,0]=3 8 B10R1.1 CNCC1=CC=C(Cl)N=C1 4088428 [0,1,0,0,0,0|3,0,0]=4 9 B10R1.1 NNCC1=CC=C(Cl)C=C1 4088846 [0,1,0,0,0,0|2,0,0]=3 10 B10R1.1 NNCC1=CC=C(F)C=C1 4088591 [0,1,0,0,0,0|2,0,0]=3 11 B10R1.4 CC1=C(CNN)C=CC=C1 4089820 [0,1,0,0,0,0|2,0,0]=3 12 B10R1.4 CC1=CC=CN=C1CCN 4002940 [0,1,0,0,0,0|2,0,1]=4 13 B10R1.4 CNCC1=CC=CC=C1C 4090872 [0,1,0,0,0,0|2,0,0]=3 14 B10R1.4 NNCC1=C(Cl)C=CC=C1 4090851 [0,1,0,0,0,0|2,0,0]=3 15 B10R1.4 O=C=NC1=CC=CC=C1Br 3020265 [0,1,0,0,0,0|1,0,1]=3 16 B10R1.10 CC1=NC(CCBr)=CC=C1 4088742 [0,1,0,0,0,0|2,0,1]=4 17 B10R1.10 CNCC1=CC(C)=NC=C1 4019510 [0,1,0,0,0,0|3,0,0]=4 18 B10R1.10 NCCC1=CC=CC(=O)N1 4063034 [0,1,0,0,0,0|2,0,1]=4 19 B10R1.10 NNCC1=CC=CC(Cl)=C1 4088727 [0,1,0,0,0,0|2,0,0]=3 20 B10R1.15 CCC(N)C1=NC=CC=C1 4088626 [0,1,0,0,0,0|2,0,1]=4 21 B10R1.15 NC[C@@H](O)C1=CC=CN=C1 4107744 [0,1,0,0,0,0|2,0,1]=4 22 B10R1.15 NC[C@H](O)C1=CN=CC=C1 4092063 [0,1,0,0,0,0|2,0,1]=4 23 B10R1.15 O[C@@H](CBr)C1=CC=CC=C1 4053875 [0,1,0,0,0,0|1,0,1]=3 24 B10R1.15 O[C@H](CBr)C1=CC=CC=C1 4068902 [0,1,0,0,0,0|1,0,1]=3 25 B10R1.17 BrCCCC1=CC=CN=C1 4090397 [0,1,0,0,0,0|2,0,1]=4 26 B10R1.17 CCNCC1=CC=CN=C1 9070410 [0,1,0,0,0,0|2,0,1]=4 27 B10R1.17 NCCSC1=CC=CC=C1 4002675 [0,1,0,0,0,0|1,0,1]=3 28 B10R1.17 NCCSC1=NC=CC=C1 4090640 [0,1,0,0,0,0|2,0,1]=4 29 B10R1.17 NC\C=C\C1=CC=CC=C1 4090564 [0,1,0,0,0,0|1,0,1]=3 30 B10R1.18 CC(=O)CC1=CC=CN=C1 4090943 [0,1,0,0,0,0|1,0,0]=2 31 B10R1.18 CC(N)CC1=CC=CC=N1 4000001 [0,1,0,0,0,0|2,0,1]=4 32 B10R1.18 CC(N)CC1=CC=NC=C1 4002036 [0,1,0,0,0,0|2,0,1]=4 33 B10R1.18 N=C(N)CC1=CC=CN=C1 4089686 [0,1,0,0,0,0|2,0,0]=3 34 B10R1.18 N=C(N)CC1=NC=CC=C1 4088302 [0,1,0,0,0,0|2,0,0]=3 35 B8R1.8 CNCC1=CC=CS1 4087952 [0,0,0,0,1,0|3,0,0]=4 36 B8R1.8 NCCC1=CC=CO1 4087953 [0,0,0,0,1,0|2,0,1]=4 37 B8R1.8 NCCC1=CC=CS1 3020071 [0,0,0,0,1,0|2,0,1]=4 38 B8R1.8 NNCC1=CC=CS1 4088418 [0,0,0,0,1,0|3,0,0]=4 39 B8R1.8 OCCC1=CC=CO1 4039978 [0,0,0,0,1,0|1,0,2]=4 40 B9R1.1 CC1=CN=C(CN)C=C1 4010338 [1,1,0,0,0,0|2,0,0]=4 41 B9R1.1 CC1=CN=C(CN)C=C1 4089721 [1,1,0,0,0,0|2,0,0]=4 42 B9R1.2 CC1=CC(CN)=NC=C1 4088971 [1,1,0,0,0,0|2,0,0]=4 43 B9R1.2 CC1=NC=CC(CCl)=C1 4089416 [1,1,0,0,0,0|2,0,0]=4 44 B9R1.2 CNC1=CC(Cl)=CC=C1 3020438 [1,1,0,0,0,0|1,0,1]=4 45 B9R1.2 NCC1=CC(Cl)=NC=C1 4088253 [1,1,0,0,0,0|2,0,0]=4 46 B9R1.2 NCC1=NC=CC(O)=C1 4014665 [1,1,0,0,0,0|2,0,0]=4 47 B9R1.2 O=CC1=CC(O)=NC=N1 4110682 [1,1,0,0,0,0|2,0,0]=4 48 B9R1.2 OCC1=NC=CC(Cl)=C1 4088987 [1,1,0,0,0,0|1,0,1]=4 49 B9R1.6 CC(=O)C1=NC=CN=C1 3020083 [1,1,0,0,0,0|2,0,0]=4 50 B9R1.6 CC(N)C1=CC=NC=C1 3002627 [1,1,0,0,0,0|1,0,1]=4 51 B9R1.6 CC(N)C1=CN=CC=C1 3002415 [1,1,0,0,0,0|1,0,1]=4 52 B9R1.6 CC(N)C1=NC=CC=C1 3001612 [1,1,0,0,0,0|1,0,1]=4 53 B9R1.15 CC1=C(CCl)C=CN=C1 4010334 [1,1,0,0,0,0|2,0,0]=4 54 B9R1.15 CC1=C(CCl)N=CC=C1 4088897 [1,1,0,0,0,0|2,0,0]=4 55 B9R1.15 CC1=C(CN)C=CN=C1 4088420 [1,1,0,0,0,0|2,0,0]=4 56 B9R1.15 CC1=NC=CC=C1CCl 4088270 [1,1,0,0,0,0|2,0,0]=4 57 B9R1.15 CC1=NC=CN=C1C=O 4030187 [1,1,0,0,0,0|2,0,0]=4 58 B9R1.15 CCC1=CC=CN=C1Cl 4037222 [1,1,0,0,0,0|1,0,1]=4 59 B11R1.1 C#CCOC1=CC=C(N)C=C1 4089055 [0,2,0,0,0,0|1,0,1]=4 60 B11R1.1 CCCSC1=CC=C(N)C=C1 4090004 [0,2,0,0,0,0|1,0,1]=4 61 B11R1.1 NCCOC1=CC=C(Br)C=C1 4090090 [0,2,0,0,0,0|1,0,1]=4 62 B11R1.1 NCCOC1=CC=C(Cl)C=C1 4088197 [0,2,0,0,0,0|1,0,1]=4 63 B11R1.22 CCC(N)C1=CC=C(Cl)C=C1 3002119 [0,2,0,0,0,0|1,0,1]=4 64 B11R1.22 CCC(N)C1=CC=C(O)C=C1 4088665 [0,2,0,0,0,0|1,0,1]=4 65 B11R1.22 CNC(C)C1=CC=C(Cl)C=C1 4088802 [0,2,0,0,0,0|2,0,0]=4 66 B11R1.81 CC1=CC(Cl)=C(N=C=O)C=C1 3001940 [0,2,0,0,0,0|1,0,1]=4 67 B11R1.83 CCC1=CC=C(CNN)C=C1 4090815 [0,2,0,0,0,0|2,0,0]=4 68 B11R1.83 COC1=CC=C(CNN)C=C1 4085299 [0,2,0,0,0,0|2,0,0]=4 69 B11R1.192 O=C=NC1=CC(Cl)=C(F)C=C1 3002706 [0,2,0,0,0,0|1,0,1]=4 70 B11R1.17 C=CCOC1=CC=CC=C1N 4090105 [0,2,0,0,0,0|1,0,0]=3 71 B11R1.17 NCCCC1=C(F)C=CC=C1 4090517 [0,2,0,0,0,0|1,0,1]=4 72 B11R1.17 NCCCC1=CC=CC=C1Cl 4019783 [0,2,0,0,0,0|1,0,1]=4 73 B11R1.41 COC1=CC=CC=C1N=C=O 3020271 [0,2,0,0,0,0|1,0,1]=4 74 B11R1.86 O=C(O)CC1=CN=CNC1=O 4036148 [0,2,0,0,0,0|2,0,0]=4 75 B11R1.222 NCC(O)C1=C(Br)C=CC=C1 4031261 [0,2,0,0,0,0|1,0,1]=4 76 B11R1.222 NCC(O)C1=C(Br)C=CC=C1 4090928 [0,2,0,0,0,0|1,0,1]=4 77 B11R1.24 CC1=CC(OCCN)=CC=C1 3001621 [0,2,0,0,0,0|1,0,1]=4 78 B11R1.24 NC1=CC=CC(C\C=N\O)=N1 3002347 [0,2,0,0,0,0|1,0,1]=4 79 B11R1.24 NCCCC1=CC(F)=CC=C1 4089959 [0,2,0,0,0,0|1,0,1]=4 80 B11R1.24 NCCOC1=CC(Cl)=CC=C1 3002038 [0,2,0,0,0,0|1,0,1]=4 81 B11R1.157 CC1=CC(CC(=O)O)=NC=C1 4079088 [0,2,0,0,0,0|1,0,0]=3 82 B11R1.157 N=C(N)CC1=CC(Cl)=CC=C1 4027438 [0,2,0,0,0,0|1,0,0]=3 83 B11R1.189 CCC1=CC(N=C=O)=CC=C1 3002291 [0,2,0,0,0,0|1,0,1]=4 84 B11R1.189 COC1=CC(CNN)=CC=C1 4089831 [0,2,0,0,0,0|2,0,0]=4 85 B11R1.16 CC(CCN)C1=CC=CC=C1 4091158 [0,2,0,0,0,0|1,0,1]=4 86 B11R1.16 CCCC(N)C1=CC=CC=C1 4088376 [0,2,0,0,0,0|1,0,1]=4 87 B11R1.16 CN(CCN)C1=CC=CC=C1 4088780 [0,2,0,0,0,0|1,0,1]=4 88 B11R1.36 CC(C)[C@@H](N)C1=CC=CC=C1 4029051 [0,2,0,0,0,0|1,0,1]=4 89 B11R1.36 CC(C)[C@@H](N)C1=CC=CC=C1 4088960 [0,2,0,0,0,0|1,0,1]=4 90 B11R1.36 N=C(N)[C@@H](O)C1=CC=CC=C1 4079011 [0,2,0,0,0,0|1,0,0]=3 91 B11R1.36 N=C(N)[C@H](O)C1=CC=CC=C1 4052271 [0,2,0,0,0,0|1,0,0]=3 92 B11R1.28 C#CCNCC1=CC=CC=C1 4089987 [0,2,0,0,0,0|1,0,1]=4 93 B11R1.28 CNC\C=C\C1=CC=CC=C1 9070687 [0,2,0,0,0,0|1,0,1]=4 94 B11R1.28 NCCCOC1=CC=CC=C1 4087883 [0,2,0,0,0,0|1,0,1]=4 95 B11R1.91 N=C(N)CCC1=CC=CC=C1 4091002 [0,2,0,0,0,0|1,0,0]=3 96 B11R1.91 N=C(N)NCC1=CC=CC=C1 4087928 [0,2,0,0,0,0|1,0,0]=3 97 B11R1.91 N=C(N)NCC1=CC=CC=C1 4089197 [0,2,0,0,0,0|1,0,0]=3 98 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 3020214 [0,2,0,0,0,0|1,0,1]=4 99 B11R2.36 BrC1=CC2=C(C=C1)OC=N2 4002139 [0,1,0,1,0,0|1,0,1]=4 100 B11R2.36 ClC1=CC2=C(C=C1)NC=C2 3020104 [0,1,0,1,0,0|1,0,1]=4 101 B11R2.36 ClC1=CC2=C(C=CN2)C=C1 3020088 [0,1,0,1,0,0|1,0,1]=4 102 B11R2.36 NC1=CC2=C(C=C1)NCC2 3020471 [0,1,0,1,0,0|1,0,1]=4 103 B11R2.36 NC1=CC2=C(C=C1)SC=N2 4087784 [0,1,0,1,0,0|1,1,0]=4 104 B11R2.36 NC1=CC2=C(C=C1)SC=N2 4087785 [0,1,0,1,0,0|1,1,0]=4 105 B11R2.36 OC1=CC=C2NC=NC2=C1 4088281 [0,1,0,1,0,0|2,0,0]=4 106 B11R2.55 NC1=C(C2CC2)C=CC=C1 4005989 [0,1,0,1,0,0|1,0,1]=4 107 B11R2.106 BrC1=C2C=COC2=CC=C1 4018336 [0,1,0,1,0,0|0,0,2]=4 108 B11R2.106 ClC1=CC=CC2=C1C=CN2 3020086 [0,1,0,1,0,0|1,0,1]=4 109 B11R2.1 CC1=NNC2=CC=CC=C21 4088223 [0,1,0,1,0,0|2,0,0]=4 110 B11R2.1 NC1=NOC2=CC=CC=C21 3020311 [0,1,0,1,0,0|2,0,0]=4 111 B11R2.1 NC1COC2=CC=CC=C21 4088614 [0,1,0,1,0,0|0,0,2]=4 112 B11R2.239 C1=CC=C(C2CCN2)C=C1 4019047 [0,1,0,1,0,0|1,0,1]=4 113 B11R2.239 C1=CC=C(C2CNC2)C=C1 4021486 [0,1,0,1,0,0|1,0,1]=4 114 B7R1.1 O=CC1=CC=NS1 4030495 [1,0,0,0,1,0|2,0,0]=4 115 B7R1.1 O=CC1=CSN=C1 4030020 [1,0,0,0,1,0|2,0,0]=4