0 B8R1.8 CNCC1=CC=NS1 AT21224 [0,0,0,0,0,0|2,1,0]=3 1 B8R1.8 N#CCC1=CN=CO1 AC7425 [0,0,0,0,0,0|3,0,0]=3 2 B8R1.8 NCCC1=CC=NO1 E73131 [0,0,0,0,0,0|3,0,0]=3 3 B8R1.8 NCCC1=CN=CO1 AT18734 [0,0,0,0,0,0|3,0,0]=3 4 B8R1.8 NCCC1=NC=CN1 AT24211 [0,0,0,0,0,0|4,0,0]=4 5 B7R1.1 C#CC1=CC=CO1 AC9158 [1,0,0,0,0,0|0,0,2]=3 6 B7R1.1 CCC1=NNC=C1 D77034 [1,0,0,0,0,0|2,0,0]=3 7 B7R1.1 CNC1=CN=CN1 57325 [1,0,0,0,0,0|3,0,0]=4 8 B7R1.1 COC1=CNC=N1 AT24767 [1,0,0,0,0,0|2,1,0]=4 9 B7R1.1 CSC1=NNC=C1 W10957 [1,0,0,0,0,0|2,0,0]=3 10 B7R1.1 NCC1=CC=NS1 C77431 [1,0,0,0,0,0|2,1,0]=4 11 B7R1.1 NCC1=CN=CO1 P10824 [1,0,0,0,0,0|2,0,0]=3 12 B7R1.1 O=CC1=CC=NO1 C73163 [1,0,0,0,0,0|1,1,1]=4 13 B9R1.7 CC1=NC=C(CCN)O1 AT18732 [0,1,0,0,0,0|3,0,0]=4 14 B9R1.7 COCC1=CC(N)=NO1 AT19791 [0,1,0,0,0,0|1,1,0]=3 15 B9R1.7 N#CCC1=CC=C(Cl)O1 AC9281 [0,1,0,0,0,0|2,0,0]=3 16 B9R1.7 NCCC1=CC(O)=NO1 AT21056 [0,1,0,0,0,0|3,0,0]=4 17 B9R1.7 [C-]#[N+]CC1=CC=C(C)O1 AC9057 [0,1,0,0,0,0|1,0,1]=3 18 B9R1.11 CC[C@H](N)C1=CNC=N1 F13131 [0,1,0,0,0,0|3,0,0]=4 19 B9R1.12 C#CCNC1=NC=CO1 D75635 [0,1,0,0,0,0|2,0,1]=4 20 B9R1.12 NCCCC1=CN=CN1 97527 [0,1,0,0,0,0|3,0,0]=4 21 B9R1.12 NCCCC1=CN=CN1 P16679 [0,1,0,0,0,0|3,0,0]=4 22 B9R1.13 CN(C)CC1=CNC=N1 AC8576 [0,1,0,0,0,0|3,0,0]=4 23 B9R1.33 CC1=C(CC#N)OC=N1 AC7475 [0,1,0,0,0,0|3,0,0]=4 24 B9R1.33 COCC1=C(Br)C=NS1 AT21095 [0,1,0,0,0,0|1,2,0]=4 25 B9R1.33 [C-]#[N+]CC1=CC=CN1C AT23899 [0,1,0,0,0,0|2,0,1]=4 26 B9R2.3 C1=CC2=C(CNC2)S1 84336 [0,0,0,1,0,0|1,1,0]=3 27 B9R2.3 C1=CC2=C(CSC2)S1 AC6782 [0,0,0,1,0,0|0,1,0]=2 28 B9R1.8 CCOC1=CN=CC=C1 F31361 [0,0,0,0,0,1|3,0,0]=4 29 B9R1.8 CNCC1=CN=NC=C1 P12145 [0,0,0,0,0,1|3,0,0]=4 30 B9R1.8 ClCCC1=CN=CC=C1 D87792 [0,0,0,0,0,1|3,0,0]=4 31 B9R1.8 NNCC1=CC=CN=N1 P13290 [0,0,0,0,0,1|3,0,0]=4 32 B9R1.8 NNCC1=NC=CC=N1 P11941 [0,0,0,0,0,1|3,0,0]=4 33 B9R1.8 OCCC1=NC=NC=C1 20262 [0,0,0,0,0,1|3,0,0]=4 34 B9R1.8 SCCC1=CN=CC=C1 F18092 [0,0,0,0,0,1|3,0,0]=4 35 B9R1.8 [C-]#[N+]CC1=NC=CC=N1 AT23894 [0,0,0,0,0,1|2,0,1]=4 36 B9R1.8 [C-]#[N+]CC1=NC=NC=C1 AT23891 [0,0,0,0,0,1|2,0,1]=4 37 B6R1.2 BrC1=CN=CO1 AT11056 [2,0,0,0,0,0|2,0,0]=4 38 B6R1.2 O=C1NC=CO1 C74434 [2,0,0,0,0,0|1,1,0]=4 39 B6R1.2 OC1=CC=CS1 AC4704 [2,0,0,0,0,0|0,2,0]=4 40 B6R1.2 SC1=NN=CO1 AT18825 [2,0,0,0,0,0|2,0,0]=4 41 B8R1.1 BrCC1=NC=C(Br)O1 87116 [1,1,0,0,0,0|2,0,0]=4 42 B8R1.1 CC1=COC(C=O)=C1 P11782 [1,1,0,0,0,0|0,1,1]=4 43 B8R1.1 CC1=COC(CN)=C1 P11789 [1,1,0,0,0,0|1,0,0]=3 44 B8R1.1 CC1=COC(CN)=N1 72853 [1,1,0,0,0,0|2,0,0]=4 45 B8R1.1 CCC1=CC=C(N)S1 AT14665 [1,1,0,0,0,0|0,1,0]=3 46 B8R1.1 CCC1=NC=C(Br)O1 AT18672 [1,1,0,0,0,0|1,0,0]=3 47 B8R1.1 CCC1=NOC(Br)=C1 AT19746 [1,1,0,0,0,0|2,0,0]=4 48 B8R1.1 CCC1=NOC(O)=C1 AT19691 [1,1,0,0,0,0|2,0,0]=4 49 B8R1.1 COC1=CC(Br)=CS1 P19567 [1,1,0,0,0,0|0,2,0]=4 50 B8R1.1 CSC1=NC=C(Br)S1 AT14712 [1,1,0,0,0,0|1,1,0]=4 51 B8R1.1 ClC1=CSC(CBr)=C1 AT16713 [1,1,0,0,0,0|1,1,0]=4 52 B8R1.1 FC1=CC=C(CBr)O1 55271 [1,1,0,0,0,0|1,0,0]=3 53 B8R1.1 NC1=NC=C(CO)O1 AT18684 [1,1,0,0,0,0|1,1,0]=4 54 B8R1.1 NCC1=CC(O)=NO1 D86836 [1,1,0,0,0,0|2,0,0]=4 55 B8R1.1 NCC1=CC=C(Cl)O1 AT17313 [1,1,0,0,0,0|1,0,0]=3 56 B8R1.1 NCC1=NC=C(Br)O1 86227 [1,1,0,0,0,0|2,0,0]=4 57 B8R1.1 O=C1C=C(CBr)ON1 D73595 [1,1,0,0,0,0|2,0,0]=4 58 B8R1.1 O=C1C=C[C@H](CBr)O1 AC6821 [1,1,0,0,0,0|1,0,1]=4 59 B8R1.1 OCC1=CC(F)=CS1 D74661 [1,1,0,0,0,0|0,2,0]=4 60 B8R1.1 OCC1=CC=C(Cl)O1 AC8965 [1,1,0,0,0,0|0,1,0]=3 61 B8R1.1 OCC1=CC=C(F)O1 55270 [1,1,0,0,0,0|0,1,0]=3 62 B8R1.1 SCC1=CC=C(Cl)O1 AT17318 [1,1,0,0,0,0|0,0,0]=2 63 B8R1.7 C[C@H](N)C1=CC=NS1 AT21225 [1,1,0,0,0,0|1,1,0]=4 64 B8R1.7 C[C@H](N)C1=CN=CN1 F13260 [1,1,0,0,0,0|2,0,0]=4 65 B8R1.7 C[C@H](N)C1=CN=CO1 AT18689 [1,1,0,0,0,0|1,0,0]=3 66 B8R1.7 C[C@H](N)C1=CN=CO1 AT18691 [1,1,0,0,0,0|1,0,0]=3 67 B8R1.7 C[C@H](N)C1=CNC=N1 C91192 [1,1,0,0,0,0|2,0,0]=4 68 B8R1.7 C[C@H](N)C1=CNC=N1 C91193 [1,1,0,0,0,0|2,0,0]=4 69 B8R1.7 C[C@H](N)C1=COC=C1 N16719 [1,1,0,0,0,0|2,0,0]=4 70 B8R1.7 C[C@H](N)C1=COC=N1 AT12536 [1,1,0,0,0,0|2,0,0]=4 71 B8R1.7 C[C@H](N)C1=CSC=C1 AT23262 [1,1,0,0,0,0|2,0,0]=4 72 B8R1.7 C[C@H](N)C1=CSC=C1 AT23264 [1,1,0,0,0,0|2,0,0]=4 73 B8R1.7 C[C@H](N)C1=NNC=C1 32103 [1,1,0,0,0,0|2,0,0]=4 74 B8R1.7 C[C@H](N)C1=NOC=C1 33764 [1,1,0,0,0,0|2,0,0]=4 75 B8R1.7 C[C@H](O)C1=CC=NS1 AT21152 [1,1,0,0,0,0|1,1,0]=4 76 B8R1.7 C[C@H](O)C1=NOC=C1 AT21815 [1,1,0,0,0,0|2,0,0]=4 77 B8R1.11 CCC1=NOC=C1N AT19803 [1,1,0,0,0,0|2,0,0]=4 78 B8R1.11 COC1=C(Br)C=NO1 AT19729 [1,1,0,0,0,0|1,1,0]=4 79 B8R1.11 NC1=C(C=O)OC=C1 D74825 [1,1,0,0,0,0|0,1,1]=4 80 B8R1.11 O=CC1=C(Cl)C=CO1 AC2692 [1,1,0,0,0,0|0,1,1]=4 81 B8R1.11 OCC1=C(F)C=CS1 AT22758 [1,1,0,0,0,0|0,2,0]=4 82 B10R1.4 CNCC1=C(Br)C=NC=C1 AT26684 [0,1,0,0,0,1|2,0,0]=4 83 B10R1.4 COCC1=NC=CN=C1Cl N13228 [0,1,0,0,0,1|1,1,0]=4 84 B10R1.10 CNCC1=NC(C)=CC=N1 P12312 [0,1,0,0,0,1|2,0,0]=4 85 B10R1.10 COCC1=NC=CC(N)=C1 P20443 [0,1,0,0,0,1|1,1,0]=4 86 B10R1.15 CC[C@H](N)C1=NC=CC=N1 C90664 [0,1,0,0,0,1|2,0,0]=4 87 B10R1.15 CN[C@@H](C)C1=CC=NC=C1 AT18142 [0,1,0,0,0,1|2,0,0]=4 88 B10R1.17 ICCCC1=CN=CC=C1 E70092 [0,1,0,0,0,1|2,0,0]=4 89 B10R1.18 CC(=O)CC1=NC=CC=N1 P10714 [0,1,0,0,0,1|2,0,0]=4 90 B10R1.96 CNCC1=CC(OC)=NO1 AT19588 [0,2,0,0,0,0|2,0,0]=4 91 B10R1.11 N[C@@H](CCO)C1=CC=CO1 D96373 [0,2,0,0,0,0|1,0,0]=3 92 B10R1.149 COC(=O)C1=C(F)C=CO1 AC5536 [0,2,0,0,0,0|0,1,1]=4 93 B10R1.64 O=C(O)CC1=C(Cl)C=CO1 AC1393 [0,2,0,0,0,0|2,0,0]=4 94 B10R2.6 C1=CC=C(C2CC2)C=C1 W16080 [0,0,0,1,0,1|2,0,0]=4 95 B10R2.6 C1=CC=C([C@@H]2CN2)C=C1 89380 [0,0,0,1,0,1|2,0,0]=4 96 B10R2.6 C1=CC=C([C@@H]2CN2)C=C1 89381 [0,0,0,1,0,1|2,0,0]=4 97 B10R2.7 C1=CN=C2CNCC2=N1 C16552 [0,0,0,1,0,1|2,0,0]=4 98 B10R2.2 CC1=NC2=C(CNC2)O1 AT11085 [0,1,0,1,0,0|2,0,0]=4 99 B10R2.14 BrC1=CN=C(C2CC2)O1 AT18548 [0,1,0,1,0,0|2,0,0]=4 100 B10R2.14 BrC1=NC=C(C2CC2)O1 AT18458 [0,1,0,1,0,0|2,0,0]=4 101 B10R2.14 BrC1=NOC(C2CC2)=C1 AT19697 [0,1,0,1,0,0|2,0,0]=4 102 B10R2.14 NC1=CC=C(C2CC2)S1 AT14668 [0,1,0,1,0,0|1,1,0]=4 103 B10R2.32 N[C@H]1CCC2=C1N=CO2 AT24637 [0,1,0,1,0,0|2,0,0]=4 104 B10R2.32 N[C@H]1CCC2=C1OC=N2 AT24609 [0,1,0,1,0,0|2,0,0]=4 105 B10R2.32 O=C1CCC2=C1OC=C2 D74775 [0,1,0,1,0,0|1,0,1]=4 106 B10R2.32 O[C@H]1CCC2=C1N=CO2 AT24636 [0,1,0,1,0,0|2,0,0]=4 107 B10R2.32 O[C@H]1CCC2=C1OC=N2 AT24608 [0,1,0,1,0,0|2,0,0]=4 108 B10R2.21 BrC1=C(C2CC2)OC=N1 AT18590 [0,1,0,1,0,0|2,0,0]=4