0 B10R1.66 N=C(N)CCC1=CC=CO1 F16867 [0,0,0,0,0,0|2,0,2]=4 1 B10R1.66 O=C(O)\C=C\C1=NC=CN1 I14893 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.25 COC(=O)\C=C\C1=CSC=C1 T15108 [0,1,0,0,0,0|2,0,0]=3 3 B11R1.75 O=C(O)\C=C\C1=CC(Br)=CS1 B10431 [0,1,0,0,0,0|1,1,0]=3 4 B11R1.77 NC(CC(=O)O)C1=CC=CO1 A0129 [0,1,0,0,0,0|1,0,2]=4 5 B11R1.90 CC1=C(\C=C\C(=O)O)NC=N1 M14959 [0,1,0,0,0,0|3,0,0]=4 6 B11R2.36 BrC1=CC2=C(C=C1)OC=C2 B12936 [0,0,0,1,0,0|1,0,1]=3 7 B11R2.36 BrC1=CC=C2NC=CC2=C1 C0379 [0,0,0,1,0,0|2,0,1]=4 8 B11R2.36 BrC1=CC=C2SC=CC2=C1 B18499 [0,0,0,1,0,0|1,1,1]=4 9 B11R2.36 CC1=CC=C2C=CNC2=C1 M11872 [0,0,0,1,0,0|3,0,0]=4 10 B11R2.36 CC1=CC=C2NC=CC2=C1 M17762 [0,0,0,1,0,0|2,0,0]=3 11 B11R2.36 ClC1=CC2=C(C=C1)NC=C2 C1861 [0,0,0,1,0,0|2,0,1]=4 12 B11R2.36 ClC1=CC2=C(C=C1)SC=C2 C7788 [0,0,0,1,0,0|1,1,1]=4 13 B11R2.36 FC1=CC2=C(C=C1)NC=C2 F0297 [0,0,0,1,0,0|2,0,1]=4 14 B11R2.36 NC1=CC=C2NC=CC2=C1 A7244 [0,0,0,1,0,0|2,0,1]=4 15 B11R2.36 NC1=CC=C2NC=CC2=C1 A7244 [0,0,0,1,0,0|2,0,1]=4 16 B11R2.36 NC1=CC=C2NC=CC2=N1 A18139 [0,0,0,1,0,0|3,0,0]=4 17 B11R2.36 NC1=CC=C2OC=NC2=C1 A18125 [0,0,0,1,0,0|2,0,1]=4 18 B11R2.36 OC1=CC2=C(C=C1)NC=C2 H0899 [0,0,0,1,0,0|1,0,2]=4 19 B9R1.13 O=C(Cl)CC1=CC=CS1 T0852 [0,0,0,0,1,0|1,1,1]=4 20 B9R1.13 O=C(O)CC1=CC=CS1 T0647 [0,0,0,0,1,0|1,1,1]=4 21 B11R1.91 O=C(Cl)\C=C\C1=CC=CN=C1 P4462 [0,0,0,0,0,1|2,0,0]=3 22 B11R1.91 O=C(O)\C=C\C1=CC=NC=C1 P14394 [0,0,0,0,0,1|2,0,0]=3 23 B11R1.91 O=C(O)\C=C\C1=NC=CC=C1 P14396 [0,0,0,0,0,1|2,0,0]=3 24 B11R1.91 O=C([O-])\C=C\C1=CC=CC=C1 S7823 [0,0,0,0,0,1|2,0,0]=3 25 B10R1.23 O=C(O)C(=O)C1=CC=CS1 T7418 [0,1,0,0,1,0|1,1,0]=4 26 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 M0221 [0,1,0,0,0,1|2,0,0]=4 27 B12R1.21 NC1=CC=C(\C=C\C(=O)O)C=C1 A7581 [0,1,0,0,0,1|2,0,0]=4 28 B12R1.21 O=C(O)\C=C\C1=CC=C(F)C=C1 F0226 [0,1,0,0,0,1|2,0,0]=4 29 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 H0216 [0,1,0,0,0,1|2,0,0]=4 30 B12R1.125 CC1=C(\C=C\C(=O)O)C=CC=C1 M7536 [0,1,0,0,0,1|2,0,0]=4 31 B12R1.125 NC1=C(\C=C\C(=O)O)C=CC=N1 A14657 [0,1,0,0,0,1|2,0,0]=4 32 B12R1.125 O=C(Cl)\C=C\C1=C(Cl)C=CC=C1 C9064 [0,1,0,0,0,1|2,0,0]=4 33 B12R1.125 O=C(O)\C=C\C1=C(O)C=CC=C1 H7620 [0,1,0,0,0,1|2,0,0]=4 34 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1Cl C1634 [0,1,0,0,0,1|2,0,0]=4 35 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1F F2690 [0,1,0,0,0,1|2,0,0]=4 36 B12R1.226 O=C(O)\C=C\C1=CC(Cl)=CC=C1 C8303 [0,1,0,0,0,1|2,0,0]=4 37 B12R1.226 O=C(O)\C=C\C1=CC=CC(Br)=C1 B3797 [0,1,0,0,0,1|2,0,0]=4 38 B12R1.226 O=C(O)\C=C\C1=CC=CC(F)=C1 F0985 [0,1,0,0,0,1|2,0,0]=4 39 B12R1.226 O=C(O)\C=C\C1=CC=CC(O)=C1 H4009 [0,1,0,0,0,1|2,0,0]=4 40 B12R1.15 COC(=O)CC(=O)C1=CC=CS1 O8368 [0,2,0,0,0,0|0,1,1]=4 41 B12R1.26 COC(=O)\C=C\C1=CC=C(Br)S1 B17816 [0,2,0,0,0,0|0,1,0]=3 42 B12R1.298 N#C\C(=C/C1=CC=CS1)C(=O)O C8173 [0,2,0,0,0,0|1,1,0]=4 43 B12R1.103 CC(=O)CC(=O)C1=CC=C(Br)S1 B16079 [0,2,0,0,0,0|0,1,1]=4 44 B10R1.18 CC(=O)NC1=NC=CC=C1 A14929 [0,0,1,1,0,0|2,0,0]=4 45 B10R1.61 CC(=O)C1=CC=CC=C1Br B8980 [0,0,1,1,0,0|1,0,0]=3 46 B10R1.61 CC(=O)C1=CC=CC=C1F F0912 [0,0,1,1,0,0|1,0,0]=3 47 B10R1.61 CC(=O)C1=CC=CC=C1N A0266 [0,0,1,1,0,0|1,0,0]=3 48 B10R1.61 CC(=O)C1=CC=CN=C1N A7312 [0,0,1,1,0,0|2,0,0]=4 49 B10R1.61 CC(=O)C1=NC=CC=C1N A12969 [0,0,1,1,0,0|2,0,0]=4 50 B10R1.61 CC1=CC=CC=C1C(=O)Cl M18896 [0,0,1,1,0,0|2,0,0]=4 51 B10R1.61 N=C(N)C1=C(O)C=CC=C1 H13821 [0,0,1,1,0,0|2,0,0]=4 52 B10R1.61 NC(=O)C1=C(Br)C=CC=C1 B9015 [0,0,1,1,0,0|2,0,0]=4 53 B10R1.61 NC(=O)C1=C(Cl)C=CC=C1 C18868 [0,0,1,1,0,0|2,0,0]=4 54 B10R1.61 NC(=O)C1=C(O)C=CC=C1 S1278 [0,0,1,1,0,0|1,0,0]=3 55 B10R1.61 NC(=O)C1=CC=CC=C1N A16466 [0,0,1,1,0,0|2,0,0]=4 56 B10R1.61 NC(=O)C1=NC=CC=C1O H17175 [0,0,1,1,0,0|2,0,0]=4 57 B10R1.61 O=C(Cl)C1=C(Br)C=CC=C1 B9882 [0,0,1,1,0,0|2,0,0]=4 58 B10R1.61 O=C(Cl)C1=C(F)C=CC=C1 F7469 [0,0,1,1,0,0|2,0,0]=4 59 B10R1.61 O=C(O)C1=C(O)C=CC=C1 S1290 [0,0,1,1,0,0|1,0,0]=3 60 B10R1.61 O=C(O)C1=CC=CC=C1F F1796 [0,0,1,1,0,0|2,0,0]=4 61 B10R1.61 O=C(O)C1=CC=CC=C1I I1314 [0,0,1,1,0,0|2,0,0]=4 62 B10R1.61 O=C(O)C1=CC=CN=C1O H2508 [0,0,1,1,0,0|2,0,0]=4 63 B10R1.61 O=C(O)C1=N(O)C=CC=C1 P17505 [0,0,1,1,0,0|2,0,0]=4 64 B10R1.61 O=C(O)C1=NC=CC=C1O H5458 [0,0,1,1,0,0|2,0,0]=4 65 B10R1.61 O=C([O-])C1=C(F)C=CC=C1 S7518 [0,0,1,1,0,0|2,0,0]=4 66 B10R1.113 CC(=O)C1=CC=CC(Br)=C1 B8981 [0,0,1,1,0,0|1,0,0]=3 67 B10R1.113 CC(=O)C1=CC=CC(Br)=N1 A11417 [0,0,1,1,0,0|2,0,0]=4 68 B10R1.113 CC(=O)C1=CC=CC(F)=C1 F0654 [0,0,1,1,0,0|1,0,0]=3 69 B10R1.113 CC(=O)C1=CC=CC(N)=C1 A0078 [0,0,1,1,0,0|1,0,0]=3 70 B10R1.113 CC(=O)C1=CN=CC(Br)=C1 A11415 [0,0,1,1,0,0|2,0,0]=4 71 B10R1.113 CC(=O)C1=NC=CC(C)=C1 A11428 [0,0,1,1,0,0|2,0,0]=4 72 B10R1.113 CC1=CC(C(=O)Cl)=CC=C1 M18897 [0,0,1,1,0,0|2,0,0]=4 73 B10R1.113 CN(C)C1=CC(O)=CC=C1 D1674 [0,0,1,1,0,0|2,0,0]=4 74 B10R1.113 C[C@@H](N)C1=CC=CC(O)=C1 A7283 [0,0,1,1,0,0|1,0,1]=4 75 B10R1.113 C[C@H](N)C1=CC(O)=CC=C1 A12640 [0,0,1,1,0,0|1,0,1]=4 76 B10R1.113 NC(=O)C1=CC(N)=CC=C1 A0175 [0,0,1,1,0,0|2,0,0]=4 77 B10R1.113 NC1=CC(C(=O)O)=CC=C1 A11244 [0,0,1,1,0,0|2,0,0]=4 78 B10R1.113 O=C(Cl)C1=CC(Br)=CC=C1 B9883 [0,0,1,1,0,0|2,0,0]=4 79 B10R1.113 O=C(Cl)C1=CC(Cl)=CC=C1 C18856 [0,0,1,1,0,0|2,0,0]=4 80 B10R1.113 O=C(Cl)C1=CC(F)=CC=C1 F7470 [0,0,1,1,0,0|2,0,0]=4 81 B10R1.113 O=C(O)C1=CC(Br)=CC=C1 B9063 [0,0,1,1,0,0|2,0,0]=4 82 B10R1.113 O=C(O)C1=CC(O)=CC=C1 H16582 [0,0,1,1,0,0|1,0,0]=3 83 B10R1.113 O=C(O)C1=CC(O)=NC=C1 H11542 [0,0,1,1,0,0|2,0,0]=4 84 B10R1.113 O=C(O)C1=CC=CC(F)=C1 F0060 [0,0,1,1,0,0|2,0,0]=4 85 B10R1.113 O=C(O)C1=CC=CC(I)=C1 I4018 [0,0,1,1,0,0|2,0,0]=4 86 B10R1.113 O=C(O)C1=CC=CC(S)=C1 M11264 [0,0,1,1,0,0|1,1,0]=4 87 B10R1.113 O=C(O)C1=CN=CC(O)=C1 H2614 [0,0,1,1,0,0|2,0,0]=4 88 B10R1.113 O=C(O)C1=CN=CC(O)=C1 H2614 [0,0,1,1,0,0|2,0,0]=4 89 B10R1.113 O=C(O)C1=NC(O)=CC=C1 H4016 [0,0,1,1,0,0|2,0,0]=4 90 B10R1.113 O=C(O)C1=NC=CC(O)=C1 H17493 [0,0,1,1,0,0|2,0,0]=4 91 B10R1.113 O=[N+]([O-])C1=CC(O)=CC=C1 N0309 [0,0,1,1,0,0|2,0,0]=4 92 B10R2.7 C1=CC=C2OC=CC2=C1 B1365 [1,0,0,1,0,0|0,0,1]=3 93 B10R2.7 C1=CC=C2OC=CC2=C1 B1365 [1,0,0,1,0,0|0,0,1]=3 94 B10R2.7 C1=CN=C2C=CNC2=C1 A12523 [1,0,0,1,0,0|2,0,0]=4 95 B12R2.24 CC1=CC=C2N=CC=CC2=N1 M19446 [0,0,0,1,0,1|2,0,0]=4 96 B12R2.24 CC1=NC2=CC=CC=C2C=C1 Q0957 [0,0,0,1,0,1|2,0,0]=4 97 B12R2.44 CCC1=CC2=C(C=C1)NC=C2 E19161 [0,1,0,1,0,0|2,0,0]=4 98 B12R2.44 COC1=CC=C2NC=CC2=C1 C0378 [0,1,0,1,0,0|2,0,0]=4 99 B12R2.44 COC1=CC=C2NC=CC2=N1 M12576 [0,1,0,1,0,0|2,0,0]=4 100 B12R2.44 NCC1=CC2=C(C=C1)NC=C2 I15669 [0,1,0,1,0,0|2,0,0]=4 101 B12R2.44 O=CC1=CC=C2NC=CC2=C1 I3243 [0,1,0,1,0,0|1,0,1]=4 102 B12R2.606 CC1=CC=C2OC(C)=NC2=C1 D11741 [0,1,0,1,0,0|2,0,0]=4 103 B8R1.7 CC(=O)C1=CC=CN1 A0582 [0,0,0,0,2,0|1,0,0]=3 104 B8R1.7 CC(=O)C1=CC=CO1 A1473 [0,0,0,0,2,0|0,0,0]=2 105 B8R1.7 CC(=O)C1=CC=CS1 A0583 [0,0,0,0,2,0|0,1,0]=3 106 B8R1.7 CC(=O)C1=CNC=C1 P7297 [0,0,0,0,2,0|2,0,0]=4 107 B8R1.7 CC(=O)C1=NC=CS1 A1214 [0,0,0,0,2,0|1,1,0]=4 108 B8R1.7 N=C(N)C1=CC=CO1 F13113 [0,0,0,0,2,0|2,0,0]=4 109 B8R1.7 O=C(O)C1=CC=CS1 T4980 [0,0,0,0,2,0|1,1,0]=4 110 B8R1.7 O=C(O)C1=CC=CS1 T4980 [0,0,0,0,2,0|1,1,0]=4