0 B8R1.18 CC1=C(Br)N=C(Br)N1 78766 [0,0,0,0,0,0|3,0,0]=3 1 B8R1.18 CC1=C(Br)SC(N)=N1 AT14730 [0,0,0,0,0,0|2,0,0]=2 2 B8R1.18 CC1=C(I)NC(I)=N1 35007 [0,0,0,0,0,0|3,0,0]=3 3 B8R1.18 CC1=CC(=O)N(C)N1 O10614 [0,0,0,0,0,0|3,0,1]=4 4 B8R1.18 CC1=CC(C)=C(Br)S1 AT16349 [0,0,0,0,0,0|2,0,0]=2 5 B8R1.18 CC1=CC(N)=NN1C C14787 [0,0,0,0,0,0|3,0,0]=3 6 B8R1.18 CC1=NC(Br)=NN1C 98646 [0,0,0,0,0,0|3,0,0]=3 7 B8R1.18 CC1=NN(C)C(Br)=C1 P17487 [0,0,0,0,0,0|3,0,0]=3 8 B8R1.18 CN1C=C(I)C(N)=N1 AT14080 [0,0,0,0,0,0|4,0,0]=4 9 B7R1.2 CC1=CC(Cl)=NN1 37270 [1,0,0,0,0,0|3,0,0]=4 10 B7R1.2 CC1=CC(N)=NN1 SC1107 [1,0,0,0,0,0|3,0,0]=4 11 B7R1.2 CC1=CC=C(C)O1 F16580 [1,0,0,0,0,0|1,1,0]=3 12 B7R1.2 CC1=CCC(=O)O1 D88375 [1,0,0,0,0,0|2,1,0]=4 13 B7R1.2 CC1=CNC(=S)N1 D73306 [1,0,0,0,0,0|2,0,1]=4 14 B7R1.2 CC1=CSC(N)=N1 AT13365 [1,0,0,0,0,0|1,0,0]=2 15 B7R1.2 CC1=NC(N)=NN1 S10284 [1,0,0,0,0,0|3,0,0]=4 16 B7R1.2 CC1=NNC(I)=C1 O11450 [1,0,0,0,0,0|3,0,0]=4 17 B7R1.2 CC1=NOC(O)=C1 AC8816 [1,0,0,0,0,0|3,0,0]=4 18 B7R1.2 CC1=NSC(N)=N1 80288 [1,0,0,0,0,0|2,0,0]=3 19 B7R1.2 CC1=N[C@@H](C)CO1 81835 [1,0,0,0,0,0|0,1,2]=4 20 B7R1.2 CN1C=C(O)C=N1 AT16001 [1,0,0,0,0,0|3,0,0]=4 21 B7R1.2 CN1C=NC(N)=C1 AT15331 [1,0,0,0,0,0|3,0,0]=4 22 B7R1.2 NC1=CSC(N)=N1 23528 [1,0,0,0,0,0|2,0,0]=3 23 B7R1.4 CC1=C(Br)NC=N1 23642 [1,0,0,0,0,0|2,0,0]=3 24 B7R1.4 CC1=C(C)SC=C1 C16125 [1,0,0,0,0,0|1,0,0]=2 25 B7R1.4 CN1N=CC=C1O AT12748 [1,0,0,0,0,0|3,0,0]=4 26 B7R1.4 CN1SC=CC1=O F21330 [1,0,0,0,0,0|3,0,0]=4 27 B9R1.22 CC1=CC(C)=NN1CO D90013 [0,1,0,0,0,0|2,0,0]=3 28 B9R1.22 CC1=CC(C=O)=C(C)N1 AT16327 [0,1,0,0,0,0|1,0,2]=4 29 B9R1.22 CC1=CC(CO)=C(C)O1 H10999 [0,1,0,0,0,0|1,1,0]=3 30 B9R1.22 CC1=NC(C)=C(CCl)S1 AT15039 [0,1,0,0,0,0|0,0,0]=1 31 B9R1.22 CC1=NC(C)=C(CO)O1 33335 [0,1,0,0,0,0|0,1,0]=2 32 B9R1.22 CC1=NN(C)C=C1C#N C91538 [0,1,0,0,0,0|2,0,1]=4 33 B9R1.22 CC1=NN(C)C=C1CN AT13898 [0,1,0,0,0,0|2,0,0]=3 34 B9R1.22 CCC1=NC(N)=NN1C AT12116 [0,1,0,0,0,0|3,0,0]=4 35 B9R1.22 CCN1N=C(C)C=C1C C15108 [0,1,0,0,0,0|2,0,0]=3 36 B9R1.23 CC1=C(Br)SC(C=O)=C1 P10375 [0,1,0,0,0,0|2,0,1]=4 37 B9R1.23 CC1=C(C)SC(C=O)=C1 AT16723 [0,1,0,0,0,0|1,0,1]=3 38 B9R1.23 CCC1=NC(C)=C(C)S1 D90557 [0,1,0,0,0,0|0,0,0]=1 39 B9R1.37 CC1=C(C)C(C)=C(C)N1 11517 [0,1,0,0,0,0|1,0,1]=3 40 B9R1.34 CC1=CC(C)=CC(O)=C1 D89931 [0,0,0,0,0,1|3,0,0]=4 41 B9R1.34 CC1=CC(C)=NC([S-])=N1 75986 [0,0,0,0,0,1|2,0,0]=3 42 B9R1.34 CC1=NC(N)=CC(=O)N1 D88439 [0,0,0,0,0,1|3,0,0]=4 43 B9R1.34 CC1=NC(O)=CC(Cl)=N1 W18545 [0,0,0,0,0,1|3,0,0]=4 44 B9R1.69 CC1=C(Br)C=C(Cl)C=N1 P11506 [0,0,0,0,0,1|3,0,0]=4 45 B9R1.69 CC1=C(C)C=C([S-])C=C1 D90179 [0,0,0,0,0,1|3,0,0]=4 46 B9R1.69 CC1=C(Cl)C=NC(F)=C1 N12163 [0,0,0,0,0,1|3,0,0]=4 47 B9R1.69 CC1=C(I)C=CC(Br)=N1 I11230 [0,0,0,0,0,1|3,0,0]=4 48 B9R1.69 CC1=C(O)N=CC(Br)=N1 F13810 [0,0,0,0,0,1|3,0,0]=4 49 B9R1.69 CC1=CC=C(F)C(F)=N1 22779 [0,0,0,0,0,1|3,0,0]=4 50 B9R1.69 CC1=CC=C(N)C(F)=N1 F14968 [0,0,0,0,0,1|3,0,0]=4 51 B9R1.69 CC1=CC=C(N)C(N)=N1 E71848 [0,0,0,0,0,1|3,0,0]=4 52 B9R1.69 CC1=CN=C(Br)C(C)=N1 D94813 [0,0,0,0,0,1|2,0,0]=3 53 B9R1.69 CC1=CN=C(F)C(C)=C1 D84290 [0,0,0,0,0,1|2,0,0]=3 54 B9R1.69 CC1=CN=C(O)C(N)=C1 29625 [0,0,0,0,0,1|3,0,0]=4 55 B9R1.69 CC1=NC(Cl)=C(I)C=C1 D87031 [0,0,0,0,0,1|3,0,0]=4 56 B6R0.3 CS[C@@H](C)C(C)=O D91444 [1,0,1,0,0,0|1,0,1]=4 57 B6R0.3 C\C=C(/C)C(C)C T70959 [1,0,1,0,0,0|1,0,1]=4 58 B6R0.3 C\C=C(\C)C(C)=O D91447 [1,0,1,0,0,0|0,1,0]=3 59 B6R1.2 CC1=CON=C1 I11485 [2,0,0,0,0,0|2,0,0]=4 60 B6R1.2 CN1C=CN=C1 D91624 [2,0,0,0,0,0|2,0,0]=4 61 B8R1.1 CC1=CSC(C#N)=C1 F19686 [1,1,0,0,0,0|1,0,1]=4 62 B8R1.1 CC1=NC(CN)=CS1 AT14767 [1,1,0,0,0,0|0,0,0]=2 63 B8R1.1 CC1=NC(CN)=CS1 F16719 [1,1,0,0,0,0|0,0,0]=2 64 B8R1.1 CC1=NC(CN)=NO1 C15963 [1,1,0,0,0,0|1,1,0]=4 65 B8R1.1 CC1=NC=C(C=O)N1 W10346 [1,1,0,0,0,0|1,0,1]=4 66 B8R1.1 CC1=NN=C(CN)O1 AT18773 [1,1,0,0,0,0|1,1,0]=4 67 B8R1.1 CC1=NN=C(CN)O1 C14456 [1,1,0,0,0,0|1,1,0]=4 68 B8R1.1 CC[C@H]1CSC(C)=N1 D91374 [1,1,0,0,0,0|0,0,2]=4 69 B8R1.1 COC1=NC(N)=NS1 AT11906 [1,1,0,0,0,0|2,0,0]=4 70 B8R1.50 CC1=C(N)N(C)N=C1 C15652 [1,1,0,0,0,0|2,0,0]=4 71 B8R1.50 CC1=CN=C(Br)N1C AT22512 [1,1,0,0,0,0|2,0,0]=4 72 B8R1.50 CC1=NNC(C)=C1N AT13383 [1,1,0,0,0,0|2,0,0]=4 73 B8R1.11 CC1=C(C=O)SN=N1 F12232 [1,1,0,0,0,0|1,0,1]=4 74 B8R1.11 CC1=C(CCl)N=CN1 AT15568 [1,1,0,0,0,0|1,0,0]=3 75 B8R1.11 CC1=C(CO)OC=N1 76823 [1,1,0,0,0,0|0,1,0]=3 76 B8R1.11 NCC1=C(Br)SC=C1 AT16368 [1,1,0,0,0,0|2,0,0]=4 77 B10R1.8 CC1=CC(C)=CC(CN)=C1 A10199 [0,1,0,0,0,1|2,0,0]=4 78 B10R1.22 CC1=CC(C)=C(C)C(C)=C1 F21292 [0,1,0,0,0,1|2,0,0]=4 79 B10R1.25 CCC1=C(C)C=C(C)C=C1 T73021 [0,1,0,0,0,1|2,0,0]=4 80 B10R1.25 CNC1=NC=C(Br)C=C1C 72014 [0,1,0,0,0,1|2,0,0]=4 81 B10R1.30 CC1=CC(CO)=C(C)C=C1 A11027 [0,1,0,0,0,1|2,0,0]=4 82 B10R1.118 CC1=CC(Br)=C(C)N=C1Cl D81185 [0,1,0,0,0,1|2,0,0]=4 83 B10R1.119 CC1=CN=C(C)C(C)=C1Cl P11079 [0,1,0,0,0,1|1,0,0]=3 84 B10R1.32 CSC1=C(SC)SC(=O)S1 T71125 [0,2,0,0,0,0|2,0,0]=4 85 B10R1.34 CCN1N=C(C)C(N)=C1C AC7966 [0,2,0,0,0,0|2,0,0]=4 86 B10R1.35 CSC1=NC(SC)=C(Cl)S1 W12425 [0,2,0,0,0,0|1,0,0]=3 87 B10R1.59 CC1=CC(C(=O)O)=C(C)S1 AT16778 [0,2,0,0,0,0|1,0,1]=4 88 B10R1.130 CC1=NN(C)C(CCN)=C1 C16817 [0,2,0,0,0,0|2,0,0]=4 89 B10R1.256 CC1=C(C)C(C=O)=C(C)N1 AT16337 [0,2,0,0,0,0|1,0,1]=4 90 B8R1.3 CC1=NN=C(O)C=C1 P10046 [1,0,0,0,0,1|2,0,0]=4