0 B10R1.17 BrCCCC1=CC=CN=C1 4090397 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.17 CCNCC1=CC=CN=C1 9070410 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.17 NCCSC1=CC=CC=C1 4002675 [0,0,0,0,0,0|1,1,0]=2 3 B10R1.17 NCCSC1=NC=CC=C1 4090640 [0,0,0,0,0,0|2,1,0]=3 4 B10R1.17 NC\C=C\C1=CC=CC=C1 4090564 [0,0,0,0,0,0|2,0,1]=3 5 B9R1.8 CNCC1=CC=NC=C1 3002392 [1,0,0,0,0,0|3,0,0]=4 6 B9R1.8 NCCC1=NC=CC=C1 3020070 [1,0,0,0,0,0|2,0,0]=3 7 B11R1.1 C#CCOC1=CC=C(N)C=C1 4089055 [0,1,0,0,0,0|1,0,1]=3 8 B11R1.1 CCCSC1=CC=C(N)C=C1 4090004 [0,1,0,0,0,0|1,1,0]=3 9 B11R1.1 NCCOC1=CC=C(Br)C=C1 4090090 [0,1,0,0,0,0|1,0,0]=2 10 B11R1.1 NCCOC1=CC=C(Cl)C=C1 4088197 [0,1,0,0,0,0|1,0,0]=2 11 B11R1.16 CC(CCN)C1=CC=CC=C1 4091158 [0,1,0,0,0,0|2,0,0]=3 12 B11R1.16 CCCC(N)C1=CC=CC=C1 4088376 [0,1,0,0,0,0|2,0,0]=3 13 B11R1.16 CN(CCN)C1=CC=CC=C1 4088780 [0,1,0,0,0,0|2,0,0]=3 14 B11R1.17 C=CCOC1=CC=CC=C1N 4090105 [0,1,0,0,0,0|1,0,1]=3 15 B11R1.17 NCCCC1=C(F)C=CC=C1 4090517 [0,1,0,0,0,0|2,0,0]=3 16 B11R1.17 NCCCC1=CC=CC=C1Cl 4019783 [0,1,0,0,0,0|2,0,0]=3 17 B11R1.17 NCCCN1C=CC=CC1=O 4090788 [0,1,0,0,0,0|3,0,0]=4 18 B11R1.24 CC1=CC(OCCN)=CC=C1 3001621 [0,1,0,0,0,0|1,0,0]=2 19 B11R1.24 NCCCC1=CC(F)=CC=C1 4089959 [0,1,0,0,0,0|2,0,0]=3 20 B11R1.24 NCCOC1=CC(Cl)=CC=C1 3002038 [0,1,0,0,0,0|1,0,0]=2 21 B11R1.28 C#CCNCC1=CC=CC=C1 4089987 [0,1,0,0,0,0|2,0,1]=4 22 B11R1.28 CNC\C=C\C1=CC=CC=C1 9070687 [0,1,0,0,0,0|2,0,1]=4 23 B11R1.28 NCCCCC1=NC=CC=C1 4014928 [0,1,0,0,0,0|3,0,0]=4 24 B11R1.28 NCCCOC1=CC=CC=C1 4087883 [0,1,0,0,0,0|1,0,0]=2 25 B11R1.91 N=C(N)CCC1=CC=CC=C1 4091002 [0,1,0,0,0,0|2,0,1]=4 26 B11R2.1 NC1=NOC2=CC=CC=C21 3020311 [0,0,0,1,0,0|2,0,1]=4 27 B11R2.1 NC1COC2=CC=CC=C21 4088614 [0,0,0,1,0,0|1,0,0]=2 28 B11R2.239 C1=CC=C(C2CCN2)C=C1 4019047 [0,0,0,1,0,0|2,0,0]=3 29 B11R2.239 C1=CC=C(C2CNC2)C=C1 4021486 [0,0,0,1,0,0|3,0,0]=4 30 B8R1.2 BrCC1=CN=CC=C1 4090400 [2,0,0,0,0,0|2,0,0]=4 31 B10R1.1 CNCC1=CC=C(C)C=C1 4089741 [1,1,0,0,0,0|2,0,0]=4 32 B10R1.1 NNCC1=CC=C(Cl)C=C1 4088846 [1,1,0,0,0,0|2,0,0]=4 33 B10R1.1 NNCC1=CC=C(F)C=C1 4088591 [1,1,0,0,0,0|2,0,0]=4 34 B10R1.4 CC1=C(CNN)C=CC=C1 4089820 [1,1,0,0,0,0|2,0,0]=4 35 B10R1.4 CC1=CC=CN=C1CCN 4002940 [1,1,0,0,0,0|2,0,0]=4 36 B10R1.4 CNCC1=CC=CC=C1C 4090872 [1,1,0,0,0,0|2,0,0]=4 37 B10R1.4 NNCC1=C(Cl)C=CC=C1 4090851 [1,1,0,0,0,0|2,0,0]=4 38 B10R1.10 CC1=NC(CCBr)=CC=C1 4088742 [1,1,0,0,0,0|2,0,0]=4 39 B10R1.10 NCCC1=CC=CC(=O)N1 4063034 [1,1,0,0,0,0|2,0,0]=4 40 B10R1.10 NNCC1=CC=CC(Cl)=C1 4088727 [1,1,0,0,0,0|2,0,0]=4 41 B10R1.15 CCC(N)C1=NC=CC=C1 4088626 [1,1,0,0,0,0|2,0,0]=4 42 B10R1.15 NC[C@@H](O)C1=CC=CN=C1 4107744 [1,1,0,0,0,0|2,0,0]=4 43 B10R1.15 NC[C@H](O)C1=CN=CC=C1 4092063 [1,1,0,0,0,0|2,0,0]=4 44 B10R1.15 O[C@@H](CBr)C1=CC=CC=C1 4053875 [1,1,0,0,0,0|1,0,0]=3 45 B10R1.15 O[C@H](CBr)C1=CC=CC=C1 4068902 [1,1,0,0,0,0|1,0,0]=3 46 B10R1.18 CC(N)CC1=CC=CC=N1 4000001 [1,1,0,0,0,0|2,0,0]=4 47 B10R1.18 CC(N)CC1=CC=NC=C1 4002036 [1,1,0,0,0,0|2,0,0]=4 48 B12R1.1 COCCOC1=CC=C(N)C=C1 4087798 [0,2,0,0,0,0|0,0,0]=2 49 B12R1.1 NCCOCC1=CC=C(Cl)C=C1 4090731 [0,2,0,0,0,0|1,0,0]=3 50 B12R1.69 CC1=CC(C)=C(OCCN)C=C1 3001898 [0,2,0,0,0,0|1,0,0]=3 51 B12R1.71 CCC1=CC=C(OCCN)C=C1 3002940 [0,2,0,0,0,0|1,0,0]=3 52 B12R1.385 NCCOC1=CC(Cl)=C(Cl)C=C1 3005342 [0,2,0,0,0,0|1,0,0]=3 53 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 4089836 [0,2,0,0,0,0|1,0,1]=4 54 B12R1.267 NCCOCC1=CC=CC=C1Cl 3001701 [0,2,0,0,0,0|1,0,0]=3 55 B12R1.374 CC1=CC(OCCN)=C(Cl)C=C1 3002010 [0,2,0,0,0,0|1,0,0]=3 56 B12R1.374 CC1=CC=C(Cl)C(OCCN)=C1 4015041 [0,2,0,0,0,0|1,0,0]=3 57 B12R1.1631 CC1=C(OCCN)C(Cl)=CC=C1 4090280 [0,2,0,0,0,0|1,0,0]=3 58 B12R1.1631 CC1=CC=CC(C)=C1OCCN 4089990 [0,2,0,0,0,0|1,0,0]=3 59 B12R1.28 COCCOC1=CC(N)=CC=C1 4090460 [0,2,0,0,0,0|0,0,0]=2 60 B12R1.100 CC1=CC(C)=CC(OCCN)=C1 3003088 [0,2,0,0,0,0|1,0,0]=3 61 B12R1.100 CC1=CC(C)=CC(OCCN)=C1 4015011 [0,2,0,0,0,0|1,0,0]=3 62 B12R1.226 C=C(C)COC1=CC=CC(N)=C1 4091020 [0,2,0,0,0,0|1,0,1]=4 63 B12R1.8 CCNCCCC1=CC=CC=C1 4090411 [0,2,0,0,0,0|2,0,0]=4 64 B12R1.8 OCCCNCC1=CC=CC=C1 4090615 [0,2,0,0,0,0|1,0,0]=3 65 B12R1.8 OCCCNCC1=CC=CN=C1 4088440 [0,2,0,0,0,0|2,0,0]=4 66 B12R1.8 OCCCNCC1=CC=NC=C1 4090835 [0,2,0,0,0,0|2,0,0]=4 67 B12R1.32 NCCC(=O)NC1=CC=CC=C1 4089528 [0,2,0,0,0,0|2,0,0]=4 68 B12R2.24 NC1CCC2=C(C=CC=C2)C1 4087906 [0,1,0,1,0,0|2,0,0]=4 69 B12R2.24 NC1COC2=CC=CC=C2C1 4089584 [0,1,0,1,0,0|1,0,0]=3 70 B12R2.24 N[C@@H]1COC2=C(C=CC=C2)C1 4093276 [0,1,0,1,0,0|1,0,0]=3 71 B12R2.24 N[C@H]1COC2=CC=CC=C2C1 4092002 [0,1,0,1,0,0|1,0,0]=3 72 B12R2.32 NCC1=NC2=CC=CC=C2O1 4090316 [0,1,0,1,0,0|1,0,1]=4 73 B12R2.2058 C1=CC=C(OC2CNC2)C=C1 4089156 [0,1,0,1,0,0|1,0,0]=3 74 B12R2.94 NC1(CC2=CC=CC=C2)CC1 4088247 [0,1,0,1,0,0|2,0,0]=4 75 B8R1.8 NCCC1=CC=CO1 4087953 [1,0,0,0,1,0|2,0,0]=4 76 B8R1.8 NCCC1=CC=CS1 3020071 [1,0,0,0,1,0|2,0,0]=4 77 B8R1.8 OCCC1=CC=CO1 4039978 [1,0,0,0,1,0|1,0,0]=3