0 B9R1.13 CN(C)CC1=CNC=N1 AC8576 [0,0,0,0,0,0|4,0,0]=4 1 B8R1.8 CNCC1=CC=NS1 AT21224 [1,0,0,0,0,0|2,1,0]=4 2 B8R1.8 N#CCC1=CN=CO1 AC7425 [1,0,0,0,0,0|2,0,1]=4 3 B8R1.8 NCCC1=CC=NO1 E73131 [1,0,0,0,0,0|2,0,1]=4 4 B8R1.8 NCCC1=CN=CO1 AT18734 [1,0,0,0,0,0|2,0,1]=4 5 B10R1.23 CC(=O)C(=O)C1=CSC=C1 AC9698 [0,1,0,0,0,0|2,0,1]=4 6 B10R1.23 O=C(O)[C@H](F)C1=CC=CS1 D76404 [0,1,0,0,0,0|1,1,0]=3 7 B10R1.23 O=C(O)[C@H](F)C1=CSC=C1 AC8456 [0,1,0,0,0,0|3,0,0]=4 8 B10R1.54 CC(=O)CN1N=CC(Br)=N1 AT15937 [0,1,0,0,0,0|3,0,0]=4 9 B10R1.54 CC1=CN=C(CC(=O)[O-])O1 AT23460 [0,1,0,0,0,0|2,0,0]=3 10 B10R1.54 CC1=CN=C(CC(=O)[O-])O1 AT23461 [0,1,0,0,0,0|2,0,0]=3 11 B10R1.54 NC1=CN(CC(=O)O)N=C1 D77107 [0,1,0,0,0,0|3,0,0]=4 12 B10R1.54 O=C(O)CC1=NC=C(Cl)S1 P12957 [0,1,0,0,0,0|2,1,0]=4 13 B10R1.64 CC1=C(CC(=O)O)N=CO1 AC1437 [0,1,0,0,0,0|3,0,0]=4 14 B10R1.64 CC1=C(CC(=O)O)OC=N1 AC1424 [0,1,0,0,0,0|2,0,0]=3 15 B10R1.64 O=C(O)CC1=C(Cl)C=CO1 AC1393 [0,1,0,0,0,0|1,0,0]=2 16 B10R2.2 O=C1CC2=CC=NN2C1 D73592 [0,0,0,1,0,0|2,0,0]=3 17 B10R2.2 O=C1CC2=NC=CN2C1 AT24595 [0,0,0,1,0,0|2,0,0]=3 18 B8R1.7 CC(=O)C1=NC=NO1 A10624 [0,0,0,0,1,0|2,0,0]=3 19 B8R1.7 CC(=O)C1=NSC=C1 AT21125 [0,0,0,0,1,0|2,0,0]=3 20 B8R1.7 C[C@H](N)C1=CN=CO1 AT18689 [0,0,0,0,1,0|2,0,1]=4 21 B8R1.7 C[C@H](N)C1=CN=CO1 AT18691 [0,0,0,0,1,0|2,0,1]=4 22 B8R1.7 O=C(O)C1=NN=CO1 D74898 [0,0,0,0,1,0|3,0,0]=4 23 B10R1.18 CC(=O)CC1=NC=CC=N1 P10714 [0,0,0,0,0,1|1,0,0]=2 24 B10R1.18 O=C(Cl)NC1=CC=CC=C1 D86031 [0,0,0,0,0,1|3,0,0]=4 25 B10R1.18 O=C(O)CC1=CC=CC=C1 AT24078 [0,0,0,0,0,1|2,0,0]=3 26 B10R1.18 O=C(O)CC1=CN=NC=C1 P19188 [0,0,0,0,0,1|3,0,0]=4 27 B10R1.18 O=C(O)CC1=NC=NC=C1 P10413 [0,0,0,0,0,1|2,0,0]=3 28 B10R1.18 O=C(O)CC1=NN=CC=C1 P10994 [0,0,0,0,0,1|2,0,0]=3 29 B10R1.66 O=C(O)CCC1=NNC=C1 AT25833 [0,0,0,0,0,1|3,0,0]=4 30 B10R1.66 O=C(O)CCC1=NOC=C1 E72890 [0,0,0,0,0,1|3,0,0]=4 31 B10R1.66 O=C([O-])COC1=NOC=C1 AT21059 [0,0,0,0,0,1|3,0,0]=4 32 B7R1.1 C#CC1=CC=CO1 AC9158 [2,0,0,0,0,0|0,0,2]=4 33 B7R1.1 CCC1=NNC=C1 D77034 [2,0,0,0,0,0|2,0,0]=4 34 B7R1.1 NCC1=CN=CO1 P10824 [2,0,0,0,0,0|2,0,0]=4 35 B7R1.1 O=CC1=CC=NO1 C73163 [2,0,0,0,0,0|1,0,0]=3 36 B9R1.7 COCC1=CC(N)=NO1 AT19791 [1,1,0,0,0,0|2,0,0]=4 37 B9R1.7 N#CCC1=CC=C(Cl)O1 AC9281 [1,1,0,0,0,0|1,0,1]=4 38 B9R1.7 [C-]#[N+]CC1=CC=C(C)O1 AC9057 [1,1,0,0,0,0|1,0,1]=4 39 B9R1.19 NS(=O)(=O)C1=CC=CO1 AT22943 [0,1,0,0,1,0|2,0,0]=4 40 B9R1.35 CC(=O)C1=CC(Br)=CO1 AT15600 [0,1,0,0,1,0|0,0,0]=2 41 B9R1.35 CC(=O)C1=CC(N)=NN1 P14350 [0,1,0,0,1,0|2,0,0]=4 42 B9R1.35 CC(=O)C1=CNC(Br)=C1 AC9410 [0,1,0,0,1,0|2,0,0]=4 43 B9R1.35 CC1=CC=C([C@H](C)N)O1 D96335 [0,1,0,0,1,0|1,0,1]=4 44 B9R1.35 CC1=CC=C([C@H](C)N)O1 D96391 [0,1,0,0,1,0|1,0,1]=4 45 B9R1.35 CC1=CC=C([C@H](C)N)O1 Y12181 [0,1,0,0,1,0|1,0,1]=4 46 B9R1.35 CC1=COC(C(=O)O)=C1 P12603 [0,1,0,0,1,0|1,0,0]=3 47 B9R1.35 CC1=COC(C(=O)O)=N1 94252 [0,1,0,0,1,0|2,0,0]=4 48 B9R1.35 C[C@H](N)C1=CC=C(Br)O1 E72737 [0,1,0,0,1,0|1,0,1]=4 49 B9R1.35 C[C@H](N)C1=CC=C(Br)O1 Y11514 [0,1,0,0,1,0|1,0,1]=4 50 B9R1.35 C[C@H](N)C1=CC=C(Br)O1 Y11522 [0,1,0,0,1,0|1,0,1]=4 51 B11R1.20 CC(=O)NC1=CN=C(Br)C=N1 D76261 [0,1,0,0,0,1|2,0,0]=4 52 B11R1.20 CC1=CN=C(CC(=O)[O-])C=N1 C92933 [0,1,0,0,0,1|2,0,0]=4 53 B11R1.20 O=C(O)CC1=CN=C(F)C=C1 AT23306 [0,1,0,0,0,1|2,0,0]=4 54 B11R1.20 O=C(O)CC1=CNC(=O)C=C1 D86041 [0,1,0,0,0,1|2,0,0]=4 55 B11R1.36 C[C@@H](C(=O)O)C1=NC=CC=C1 W18289 [0,1,0,0,0,1|2,0,0]=4 56 B11R1.36 N[C@@H](C(=O)O)C1=CC=NC=C1 AT23446 [0,1,0,0,0,1|2,0,0]=4 57 B11R1.36 N[C@@H](C(=O)O)C1=CC=NC=C1 AT23447 [0,1,0,0,0,1|2,0,0]=4 58 B11R1.36 N[C@@H](C(=O)[O-])C1=CC=NC=C1 AT23529 [0,1,0,0,0,1|2,0,0]=4 59 B11R1.40 CNC(=O)NC1=CC=CC=C1 D77088 [0,1,0,0,0,1|2,0,0]=4 60 B11R1.40 COC(=N)CC1=CC=CC=C1 C10559 [0,1,0,0,0,1|2,0,0]=4 61 B11R1.40 COC(=O)CC1=NN=CC=C1 37155 [0,1,0,0,0,1|1,0,0]=3 62 B11R1.86 CC(=O)NC1=C(O)C=NC=C1 D74339 [0,1,0,0,0,1|2,0,0]=4 63 B11R1.86 CC(=O)NC1=CC=CNC1=O D74338 [0,1,0,0,0,1|2,0,0]=4 64 B11R1.86 O=C(O)CC1=C(Br)C=CN=C1 AT23274 [0,1,0,0,0,1|2,0,0]=4 65 B11R1.86 O=C(O)CC1=C(Br)C=NC=C1 AT23277 [0,1,0,0,0,1|2,0,0]=4 66 B11R1.86 O=C(O)CC1=C(Cl)C=CN=C1 AT23281 [0,1,0,0,0,1|2,0,0]=4 67 B11R1.86 O=C(O)CC1=C(Cl)C=NC=C1 AT23303 [0,1,0,0,0,1|2,0,0]=4 68 B11R1.86 O=C(O)CC1=C(F)C=NC=C1 AT23311 [0,1,0,0,0,1|2,0,0]=4 69 B11R1.86 O=C(O)CC1=CC=CN=C1F AT23305 [0,1,0,0,0,1|2,0,0]=4 70 B11R1.86 O=C(O)CC1=NC=CC=C1O 37888 [0,1,0,0,0,1|2,0,0]=4 71 B11R1.86 O=C([O-])CC1=C(Cl)C=NC=C1 AT23304 [0,1,0,0,0,1|2,0,0]=4 72 B11R1.86 O=C([O-])CC1=C(F)C=NC=C1 AT23312 [0,1,0,0,0,1|2,0,0]=4 73 B11R1.157 CC(=O)CC1=CC(N)=CC=C1 D75584 [0,1,0,0,0,1|1,0,0]=3 74 B11R1.157 CC(=O)NC1=NC=NC(N)=C1 CS1161 [0,1,0,0,0,1|2,0,0]=4 75 B11R1.157 O=C(O)CC1=CC(Cl)=CN=C1 AT23278 [0,1,0,0,0,1|2,0,0]=4 76 B11R1.157 O=C(O)CC1=CC(F)=NC=C1 AT23309 [0,1,0,0,0,1|2,0,0]=4 77 B11R1.157 O=C(O)CC1=NC=CC(Cl)=C1 C73248 [0,1,0,0,0,1|2,0,0]=4 78 B11R1.157 O=C(O)CC1=NC=CC(F)=C1 AT23307 [0,1,0,0,0,1|2,0,0]=4 79 B11R1.157 O=C([O-])CC1=CC(F)=NC=C1 AT23310 [0,1,0,0,0,1|2,0,0]=4 80 B11R1.25 COC(=O)CCC1=NNC=C1 AT26456 [0,1,0,0,0,1|2,0,0]=4 81 B11R1.35 N[C@@H](CC1=CC=CN1)C(=O)O 67419 [0,1,0,0,0,1|2,0,0]=4 82 B11R1.77 O=C(O)CC(=O)C1=CC=CO1 D74712 [0,1,0,0,0,1|1,0,0]=3 83 B11R1.173 CC(C)(C(=O)O)C1=CN=CO1 AT18700 [0,2,0,0,0,0|2,0,0]=4 84 B11R1.39 COC(=O)CC1=NC(Cl)=CS1 P13693 [0,2,0,0,0,0|1,1,0]=4 85 B11R1.39 COC(=O)CC1=NN=C(C)O1 D77016 [0,2,0,0,0,0|2,0,0]=4 86 B9R2.3 C1=CC2=C(CNC2)S1 84336 [1,0,0,1,0,0|1,1,0]=4 87 B9R2.3 C1=CC2=C(CSC2)S1 AC6782 [1,0,0,1,0,0|1,1,0]=4 88 B11R2.36 O=C1CCC2=C(C=CN2)C1 D96427 [0,0,0,1,0,1|1,0,0]=3 89 B11R2.36 O=C1CCC2=NC=CN2C1 AT24634 [0,0,0,1,0,1|2,0,0]=4 90 B11R1.91 O=C(O)CCC1=NN=CC=C1 P18641 [0,0,0,0,0,2|2,0,0]=4