0 B9R1.8 CCNC1=CC=CN=N1 79166 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.8 CSCC1=NC=CC=C1 W19655 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.8 N#CCC1=CN=CN=C1 P10849 [0,0,0,0,0,0|3,0,1]=4 3 B9R1.8 N#CCC1=NN=CC=C1 88651 [0,0,0,0,0,0|3,0,1]=4 4 B9R1.8 [C-]#[N+]CC1=NC=CC=C1 78723 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.1 OC1=CC=C(CCF)C=C1 W16630 [0,1,0,0,0,0|3,0,0]=4 6 B10R1.10 NCCC1=CC(F)=CN=C1 P21102 [0,1,0,0,0,0|2,0,0]=3 7 B10R1.10 OCCC1=CC(F)=CN=C1 P21101 [0,1,0,0,0,0|1,1,0]=3 8 B10R1.15 N[C@@H](CF)C1=CC=CC=C1 72624 [0,1,0,0,0,0|3,0,0]=4 9 B10R1.17 NNCCC1=CC=CC=C1 74134 [0,1,0,0,0,0|3,0,0]=4 10 B10R2.6 C1=CC=C([C@@H]2CN2)C=C1 86778 [0,0,0,1,0,0|3,0,0]=4 11 B8R1.8 CNCC1=NC=CO1 66406 [0,0,0,0,1,0|3,0,0]=4 12 B8R1.8 COCC1=NNC=C1 AC8210 [0,0,0,0,1,0|3,0,0]=4 13 B8R1.8 NCCC1=CN=CS1 S10751 [0,0,0,0,1,0|2,0,0]=3 14 B9R1.1 C#CC1=CN=C(N)C=N1 78951 [1,1,0,0,0,0|0,0,2]=4 15 B9R1.2 ClC1=CC(CBr)=NC=C1 78953 [1,1,0,0,0,0|2,0,0]=4 16 B9R1.2 ClCC1=NC=CC(Br)=C1 D74784 [1,1,0,0,0,0|2,0,0]=4 17 B9R1.2 FC1=CC(CBr)=CN=C1 89068 [1,1,0,0,0,0|2,0,0]=4 18 B9R1.2 N#CC1=CN=CC(F)=N1 AT18572 [1,1,0,0,0,0|1,0,1]=4 19 B9R1.2 NC1=CC(CO)=NC=C1 P19020 [1,1,0,0,0,0|1,1,0]=4 20 B9R1.2 OCC1=NC=CC(F)=C1 79250 [1,1,0,0,0,0|1,1,0]=4 21 B9R1.6 C[C@H](N)C1=CC=CN=N1 P20592 [1,1,0,0,0,0|2,0,0]=4 22 B9R1.6 C[C@H](N)C1=CN=CN=C1 AT25776 [1,1,0,0,0,0|2,0,0]=4 23 B9R1.6 C[C@H](N)C1=NC=CC=N1 AT18259 [1,1,0,0,0,0|2,0,0]=4 24 B9R1.6 C[C@H](N)C1=NC=NC=C1 F15538 [1,1,0,0,0,0|2,0,0]=4 25 B9R1.6 OB(O)C1=NC=CN=C1 A51297 [1,1,0,0,0,0|1,1,0]=4 26 B9R1.15 CSC1=C(N)N=CC=C1 D83379 [1,1,0,0,0,0|2,0,0]=4 27 B9R1.15 NCC1=C(Cl)C=CN=C1 D72882 [1,1,0,0,0,0|2,0,0]=4 28 B9R1.7 CC1=NC=C(CCO)S1 D96356 [0,1,0,0,1,0|1,1,0]=4 29 B9R1.11 CC[C@H](N)C1=CSC=N1 Y11505 [0,1,0,0,1,0|2,0,0]=4 30 B9R1.11 N[C@@H](CO)C1=CC=CO1 Y13914 [0,1,0,0,1,0|1,1,0]=4 31 B9R1.11 N[C@@H](CO)C1=CC=CO1 Y13915 [0,1,0,0,1,0|1,1,0]=4 32 B9R1.13 C[C@H](N)CC1=CSC=C1 89731 [0,1,0,0,1,0|2,0,0]=4 33 B11R1.22 N[C@@H](CO)C1=CN=C(Br)C=C1 D85262 [0,2,0,0,0,0|1,1,0]=4 34 B11R1.192 OCCC1=CC(Br)=C(Cl)N=C1 P15946 [0,2,0,0,0,0|1,1,0]=4 35 B11R1.23 N[C@@H](CO)C1=CC=CC(F)=N1 C73755 [0,2,0,0,0,0|1,1,0]=4 36 B11R1.24 CCNCC1=CC(Br)=CN=C1 78915 [0,2,0,0,0,0|2,0,0]=4 37 B11R1.24 FCCOC1=NC=CC(Br)=C1 D96604 [0,2,0,0,0,0|2,0,0]=4 38 B11R1.189 N#CC1=CC(CCO)=CN=C1 AC4675 [0,2,0,0,0,0|1,1,0]=4 39 B11R1.189 N#CC1=CC(CCO)=NC=C1 70905 [0,2,0,0,0,0|1,1,0]=4 40 B11R1.28 CCOCCC1=NC=CC=C1 D72160 [0,2,0,0,0,0|1,1,0]=4 41 B9R2.2 C1=NNC=C1C2CC2 C77055 [0,0,0,1,1,0|2,0,0]=4 42 B11R2.34 NC1=NC=C(C2CC2)N=C1 C10520 [0,1,0,1,0,0|1,0,0]=3 43 B11R2.36 BrC1=CN=C2CCNC2=C1 P19003 [0,1,0,1,0,0|2,0,0]=4 44 B11R2.36 BrC1=NC2=C(N=CS2)N=C1 D74766 [0,1,0,1,0,0|1,0,1]=4 45 B11R2.36 NC1=CC=C2CCOC2=N1 AT22072 [0,1,0,1,0,0|1,1,0]=4 46 B11R2.10 C[C@H]1CC2=CC=CN=C2N1 93643 [0,1,0,1,0,0|2,0,0]=4 47 B11R2.20 C1=CC2=C(C=N1)CCNC2 C75219 [0,1,0,1,0,0|2,0,0]=4 48 B11R2.55 ClC1=C(C2CC2)C=NC=C1 N13247 [0,1,0,1,0,0|2,0,0]=4 49 B11R2.55 NC1=NC=CN=C1C2CC2 60029 [0,1,0,1,0,0|1,0,0]=3 50 B11R2.106 BrC1=C2CCNC2=NC=C1 P12726 [0,1,0,1,0,0|2,0,0]=4 51 B11R2.35 ClC1=NC(C2CC2)=CN=C1 AT10664 [0,1,0,1,0,0|1,0,0]=3 52 B11R2.1 N[C@H]1COC2=NC=CC=C21 C16545 [0,1,0,1,0,0|1,1,0]=4 53 B7R1.1 ClCN1N=CC=N1 79276 [1,0,0,0,1,0|2,0,0]=4 54 B7R1.1 NCC1=CON=C1 H10991 [1,0,0,0,1,0|2,0,0]=4 55 B7R1.1 OCC1=NSC=C1 AT21123 [1,0,0,0,1,0|1,1,0]=4