0 B9R1.41 CC(=O)C1=NC=NN1C AT12450 [0,0,0,0,0,0|2,0,0]=2 1 B9R1.41 CC1=C(C(=O)O)C=NS1 AT21135 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.41 CN1N=NC=C1[N+](=O)[O-] I11500 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.41 C[C@H](N)C1=NC=CN1C AT22197 [0,0,0,0,0,0|2,0,1]=3 4 B9R1.41 C[C@H](N)C1=NC=CN1C AT22198 [0,0,0,0,0,0|2,0,1]=3 5 B9R1.41 C[C@H](N)C1=NC=NN1C AT21826 [0,0,0,0,0,0|3,0,1]=4 6 B9R1.41 C[C@H](N)C1=NC=NN1C AT21827 [0,0,0,0,0,0|3,0,1]=4 7 B9R1.41 C[C@H](O)C1=CN=NN1C 92412 [0,0,0,0,0,0|2,0,2]=4 8 B9R1.41 C[C@H](O)C1=NC=NN1C AT21813 [0,0,0,0,0,0|2,0,2]=4 9 B9R1.41 C[C@H](O)C1=NC=NN1C AT21825 [0,0,0,0,0,0|2,0,2]=4 10 B9R1.41 O=C(O)C1=CSC=C1F AT16774 [0,0,0,0,0,0|4,0,0]=4 11 B8R1.7 CC(=O)C1=NC=NO1 A10624 [1,0,0,0,0,0|2,0,1]=4 12 B8R1.7 CC(=O)C1=NSC=C1 AT21125 [1,0,0,0,0,0|1,0,1]=3 13 B8R1.7 C[C@H](N)C1=CN=CN1 F13260 [1,0,0,0,0,0|2,0,1]=4 14 B8R1.11 C#CC1=NC=CN1C D76704 [1,0,0,0,0,0|1,0,2]=4 15 B8R1.11 CC1=C(C=O)C=NO1 AT19886 [1,0,0,0,0,0|3,0,0]=4 16 B8R1.11 CC1=C(C=O)SN=C1 AT21137 [1,0,0,0,0,0|3,0,0]=4 17 B8R1.11 CC1=NOC=C1C=O C77412 [1,0,0,0,0,0|3,0,0]=4 18 B8R1.11 CN1C=NN=C1C=O D73389 [1,0,0,0,0,0|2,0,0]=3 19 B8R1.11 NC1=C(C=O)OC=C1 D74825 [1,0,0,0,0,0|3,0,0]=4 20 B8R1.11 O=CC1=C(Cl)C=CN1 P10927 [1,0,0,0,0,0|3,0,0]=4 21 B8R1.11 O=CC1=C(Cl)C=CO1 AC2692 [1,0,0,0,0,0|3,0,0]=4 22 B8R1.11 O=CC1=C(F)C=CS1 D74567 [1,0,0,0,0,0|3,0,0]=4 23 B8R1.11 O=CC1=CSC=C1F AT17070 [1,0,0,0,0,0|3,0,0]=4 24 B10R1.39 CCC1=C(C(=O)O)OC=C1 AT17161 [0,1,0,0,0,0|3,0,0]=4 25 B10R1.39 CCN1C=NN=C1C(=O)[O-] AT21350 [0,1,0,0,0,0|3,0,0]=4 26 B10R1.39 CCN1N=CN=C1C(=O)[O-] AT21348 [0,1,0,0,0,0|3,0,0]=4 27 B10R1.39 CCN1N=CN=C1C(C)=O AT12451 [0,1,0,0,0,0|2,0,0]=3 28 B10R1.39 COC1=NSC=C1C(C)=O AT11831 [0,1,0,0,0,0|3,0,0]=4 29 B10R1.59 CC1=CN(N)C(C(N)=O)=C1 P11521 [0,1,0,0,0,0|2,0,0]=3 30 B10R1.59 CC1=NN(C)C(C(=O)[O-])=N1 AT21352 [0,1,0,0,0,0|3,0,0]=4 31 B10R1.59 CN1NC(=O)C=C1C(=O)O D72123 [0,1,0,0,0,0|2,0,0]=3 32 B10R1.59 NC(=O)C1=CC(F)=CN1N P12552 [0,1,0,0,0,0|2,0,0]=3 33 B10R1.59 NC(=O)C1=CC(I)=CN1N P14721 [0,1,0,0,0,0|2,0,0]=3 34 B10R1.149 CN1C=CC=C1[C@@H](O)CN D86014 [0,1,0,0,0,0|0,0,2]=3 35 B10R1.149 CN1C=CN=C1[C@@H](N)CO AT24476 [0,1,0,0,0,0|2,0,1]=4 36 B10R1.149 CN1C=CN=C1[C@@H](N)CO AT24477 [0,1,0,0,0,0|2,0,1]=4 37 B10R1.149 CN1N=CC=C1[C@@H](N)CO AT24473 [0,1,0,0,0,0|2,0,1]=4 38 B10R1.149 CN1N=CC=C1[C@@H](N)CO AT24474 [0,1,0,0,0,0|2,0,1]=4 39 B10R1.149 CN1N=CC=C1[C@@H](N)CO AT24475 [0,1,0,0,0,0|2,0,1]=4 40 B10R1.149 COC(=O)C1=C(Cl)NC=C1 AT16177 [0,1,0,0,0,0|3,0,0]=4 41 B10R1.149 COC(=O)C1=C(F)C=CO1 AC5536 [0,1,0,0,0,0|3,0,0]=4 42 B10R1.149 COC(=O)C1=COC=C1Br D72254 [0,1,0,0,0,0|3,0,0]=4 43 B10R1.149 COC(=O)C1=CSC=C1Cl AT14982 [0,1,0,0,0,0|3,0,0]=4 44 B10R1.192 CN1C=NC(Br)=C1C(=O)O 93725 [0,1,0,0,0,0|2,0,0]=3 45 B10R1.192 CN1N=NC(Br)=C1C(=O)O AT21601 [0,1,0,0,0,0|3,0,0]=4 46 B10R1.192 NC(=O)C1=C(Br)C=CN1N P14719 [0,1,0,0,0,0|2,0,0]=3 47 B10R1.192 NC(=O)C1=C(F)C=CN1N P14720 [0,1,0,0,0,0|2,0,0]=3 48 B10R1.194 CC1=CN=C(C(=O)O)N1C AT22510 [0,1,0,0,0,0|2,0,0]=3 49 B10R1.194 CN1C(=O)NC=C1[N+](=O)[O-] AC6505 [0,1,0,0,0,0|3,0,0]=4 50 B10R1.194 CN1C(N)=CC=C1[N+](=O)[O-] F52186 [0,1,0,0,0,0|2,0,0]=3 51 B10R2.32 N[C@H]1CCN2C=CN=C12 AT24600 [0,0,0,1,0,0|2,0,1]=4 52 B10R2.32 N[C@H]1CCN2C=NC=C12 AT24598 [0,0,0,1,0,0|2,0,1]=4 53 B10R2.32 N[C@H]1CCN2N=CC=C12 AT24590 [0,0,0,1,0,0|2,0,1]=4 54 B10R2.32 O=C1CCC2=C1N=CO2 AT24635 [0,0,0,1,0,0|3,0,0]=4 55 B10R2.32 O=C1CCC2=C1N=CS2 AT24601 [0,0,0,1,0,0|3,0,0]=4 56 B10R2.32 O=C1CCC2=C1OC=C2 D74775 [0,0,0,1,0,0|2,0,0]=3 57 B10R2.32 O=C1CCC2=C1OC=N2 AT24607 [0,0,0,1,0,0|3,0,0]=4 58 B10R2.32 O=C1CCC2=C1SC=N2 AT24604 [0,0,0,1,0,0|3,0,0]=4 59 B10R2.32 O=C1CCN2N=CC=C12 D73593 [0,0,0,1,0,0|1,0,0]=2 60 B10R2.32 O[C@H]1CCN2C=CN=C12 AT24599 [0,0,0,1,0,0|1,0,2]=4 61 B10R2.32 O[C@H]1CCN2C=NC=C12 AT24597 [0,0,0,1,0,0|1,0,2]=4 62 B10R2.32 O[C@H]1CCN2N=CC=C12 AT24589 [0,0,0,1,0,0|1,0,2]=4 63 B10R1.61 O=C(O)C1=C(S)C=CN=C1 AT16203 [0,0,0,0,0,1|3,0,0]=4 64 B10R1.113 CC(=O)C1=NC(C)=CC=N1 P10715 [0,0,0,0,0,1|2,0,0]=3 65 B10R1.113 CC1=CC=CC([C@H](C)N)=N1 D75135 [0,0,0,0,0,1|2,0,1]=4 66 B10R1.113 CC1=CC=CC([S@](=O)[O-])=C1 C14953 [0,0,0,0,0,1|3,0,0]=4 67 B7R1.1 CNC1=CN=CN1 57325 [2,0,0,0,0,0|2,0,0]=4 68 B7R1.1 O=CC1=CC=NO1 C73163 [2,0,0,0,0,0|2,0,0]=4 69 B9R1.35 CC(=O)C1=CC(Br)=CO1 AT15600 [1,1,0,0,0,0|1,0,0]=3 70 B9R1.35 CC(=O)C1=CC(N)=NN1 P14350 [1,1,0,0,0,0|1,0,0]=3 71 B9R1.35 CC(=O)C1=CNC(Br)=C1 AC9410 [1,1,0,0,0,0|2,0,0]=4 72 B9R1.35 CC1=COC(C(=O)O)=C1 P12603 [1,1,0,0,0,0|2,0,0]=4 73 B9R1.35 O=C(O)C1=CC(F)=NN1 E72836 [1,1,0,0,0,0|2,0,0]=4 74 B9R1.35 O=C(O)C1=NC(Br)=CN1 AT15621 [1,1,0,0,0,0|2,0,0]=4 75 B9R1.22 CC1=NN(C)C(C=O)=N1 AT21381 [1,1,0,0,0,0|2,0,0]=4 76 B9R1.22 CN1N=C(Br)C=C1C=O 97705 [1,1,0,0,0,0|1,0,0]=3 77 B9R1.27 CN1N=NC(Br)=C1C=O C77440 [1,1,0,0,0,0|2,0,0]=4 78 B9R1.33 [C-]#[N+]CC1=CC=CN1C AT23899 [1,1,0,0,0,0|0,0,2]=4 79 B11R1.53 NCC1=C(C(=O)O)C=CC=N1 AT25913 [0,1,0,0,0,1|2,0,0]=4 80 B11R1.53 O=C(O)C1=C(CO)N=CC=C1 D77099 [0,1,0,0,0,1|2,0,0]=4 81 B11R1.156 CC(=O)C1=C(I)C=CN=C1F AT16505 [0,1,0,0,0,1|2,0,0]=4 82 B11R1.156 CC1=CN=CC(Cl)=C1C(=O)O AT24332 [0,1,0,0,0,1|2,0,0]=4 83 B11R1.159 CC1=CN=CC(C(=O)O)=C1C AT13149 [0,1,0,0,0,1|2,0,0]=4 84 B11R1.166 CC(=O)C1=C(F)C=C(N)C=C1 AT16600 [0,1,0,0,0,1|2,0,0]=4 85 B11R1.166 CC(=O)C1=C(O)N=C(Cl)C=C1 AT20297 [0,1,0,0,0,1|2,0,0]=4 86 B11R1.166 CC(=O)C1=CN=C(Cl)C=C1N AC9826 [0,1,0,0,0,1|2,0,0]=4 87 B11R1.166 CC(=O)C1=NC=C(Br)C=C1O AT21120 [0,1,0,0,0,1|2,0,0]=4 88 B11R1.167 CC(=O)C1=C(Br)C=CC(N)=C1 O10299 [0,1,0,0,0,1|2,0,0]=4 89 B11R1.167 CC(=O)C1=C(C)N=CC(N)=C1 O10300 [0,1,0,0,0,1|1,0,0]=3 90 B11R1.167 CC(=O)C1=CC(Br)=CN=C1O AT20305 [0,1,0,0,0,1|2,0,0]=4 91 B11R1.167 CC(=O)C1=CC(Cl)=CN=C1O AT20998 [0,1,0,0,0,1|2,0,0]=4 92 B11R1.167 CC(=O)C1=CC(F)=CN=C1O AT21104 [0,1,0,0,0,1|2,0,0]=4 93 B11R1.167 CC1=C(C(=O)O)C=C(N)N=C1 AT18131 [0,1,0,0,0,1|2,0,0]=4 94 B11R1.167 CC1=CN=C(Cl)C=C1C(=O)O AT21681 [0,1,0,0,0,1|2,0,0]=4 95 B11R1.222 COC(=O)C1=NN=CC=C1C F51619 [0,1,0,0,0,1|2,0,0]=4 96 B11R1.222 O=C(CCl)C1=NC=CC=C1F 78963 [0,1,0,0,0,1|2,0,0]=4 97 B11R1.23 CC1=CC=CC(C(=O)CBr)=N1 F53403 [0,1,0,0,0,1|1,0,0]=3 98 B11R1.59 CCN1N=CC=C1C(=O)OC 78776 [0,2,0,0,0,0|1,0,0]=3 99 B11R1.178 O=C(O)C1=CN=CN1C(F)F AT12598 [0,2,0,0,0,0|2,0,0]=4 100 B11R1.193 N#CCN1N=CC=C1C(=O)O AT18863 [0,2,0,0,0,0|2,0,0]=4 101 B11R1.50 CN1C=C(C=O)C=C1C(=O)O AT25484 [0,2,0,0,0,0|1,0,0]=3 102 B11R1.50 CN1N=C(C=O)C=C1C(=O)O AT14230 [0,2,0,0,0,0|2,0,0]=4 103 B11R1.673 CC1=CN(N)C(C(N)=O)=C1C P11739 [0,2,0,0,0,0|2,0,0]=4 104 B11R1.865 COC(=O)C1=CSC(N)=C1C 57783 [0,2,0,0,0,0|2,0,0]=4 105 B11R1.875 CC1=C(C(=O)NN)N(C)C=N1 AT14700 [0,2,0,0,0,0|2,0,0]=4 106 B11R1.875 COC(=O)C1=C(Br)N=NN1C AT21861 [0,2,0,0,0,0|2,0,0]=4 107 B11R2.468 O=C1CC2=CC=CC(Br)=C12 AT20401 [0,0,0,1,0,1|2,0,0]=4 108 B11R2.36 O=C1CCC2=C(C=CN2)C1 D96427 [0,0,0,1,0,1|2,0,0]=4 109 B11R2.106 O=C1CCCC2=C1SC=C2 AC9282 [0,1,0,1,0,0|2,0,0]=4 110 B11R2.106 O=C1NCCN2C=CN=C12 D76746 [0,1,0,1,0,0|1,0,0]=3 111 B11R1.86 CC(=O)NC1=C(O)C=NC=C1 D74339 [0,0,0,0,0,2|2,0,0]=4 112 B11R1.86 CC(=O)NC1=CC=CNC1=O D74338 [0,0,0,0,0,2|2,0,0]=4 113 B11R1.157 CC(=O)CC1=CC(N)=CC=C1 D75584 [0,0,0,0,0,2|2,0,0]=4