0 B15R3.3 C1=CC2=C(C=C1)C3=C(C=CN=C3)N2 51754 [0,0,0,0,0,0|0,0,4]=4 1 B15R3.3 C1=CC2=C(C=C1)C3=C(CCNC3)N2 78364 [0,0,0,0,0,0|0,0,0]=0 2 B15R3.3 C1=CC2=C(C=C1)C3CCCCC3N2 S10109 [0,0,0,0,0,0|1,0,2]=3 3 B15R3.3 C1=CN=C2C(=C1)NC3=C2C=CC=C3 C74260 [0,0,0,0,0,0|2,0,2]=4 4 B16R3.2583 BrC1=CC2=C(C=C1)NC3=C2CCCC3 D75751 [0,1,0,0,0,0|1,0,0]=2 5 B16R3.2583 BrC1=CC2=C(C=C1)NC3=C2CNCC3 O11669 [0,1,0,0,0,0|0,0,0]=1 6 B16R3.2583 CC1=CC2=C(C=C1)NC3=C2CNCC3 F51384 [0,1,0,0,0,0|0,0,0]=1 7 B16R3.2583 CN1CCC2=C(C1)C3=C(C=CC=C3)N2 F30192 [0,1,0,0,0,0|0,0,0]=1 8 B16R3.2583 FC1=CC2=C(C=C1)NC3=C2CCCC3 D72017 [0,1,0,0,0,0|1,0,0]=2 9 B16R3.2583 N[C@H]1CCC2=C(C1)C3=C(C=CC=C3)N2 C10998 [0,1,0,0,0,0|1,0,0]=2 10 B16R3.2583 N[C@H]1CCC2=C(C1)C3=C(C=CC=C3)N2 C71542 [0,1,0,0,0,0|1,0,0]=2 11 B16R3.2583 N[C@H]1CCC2=C(C1)C3=C(C=CC=C3)N2 CX1193 [0,1,0,0,0,0|1,0,0]=2 12 B16R3.2583 O[C@H]1CCC2=C(C1)C3=C(C=CC=C3)N2 C72714 [0,1,0,0,0,0|1,0,0]=2 13 B16R3.2637 BrC1=NC2=C(C=C1)C3=C(CCNC3)N2 AC4812 [0,1,0,0,0,0|1,0,0]=2 14 B16R3.3329 BrC1=C2NC3=C(CNCC3)C2=CC=C1 AC8720 [0,1,0,0,0,0|0,0,0]=1 15 B16R3.3329 BrC1=C2NC3CCNCC3C2=CC=C1 C71236 [0,1,0,0,0,0|0,0,2]=3 16 B16R3.3329 BrC1=C2N[C@H]3CCNC[C@H]3C2=CC=C1 C71235 [0,1,0,0,0,0|0,0,2]=3 17 B16R3.3329 BrC1=C2N[C@H]3CCNC[C@H]3C2=CC=C1 P15807 [0,1,0,0,0,0|0,0,2]=3 18 B16R3.3329 O=C1CCCC2=C1NC3=C2C=CC=C3 D79299 [0,1,0,0,0,0|1,0,1]=3 19 B16R3.3329 O=C1NCCC2=C1NC3=C2C=CC=C3 AC4806 [0,1,0,0,0,0|2,0,1]=4 20 B16R3.20606 CN1C2=C(C=CC=C2)C3=C1CNCC3 P16861 [0,1,0,0,0,0|2,0,0]=3 21 B16R3.27838 O=C1NC=CC2=C1C3=C(CCCC3)N2 D78948 [0,1,0,0,0,0|2,0,0]=3 22 B16R3.27838 O=C1NC=NC2=C1C3=C(C=CC=C3)N2 69816 [0,1,0,0,0,0|1,0,2]=4 23 B16R3.27838 OC1=NC=NC2=C1C3=C(CCCC3)N2 E72709 [0,1,0,0,0,0|3,0,0]=4 24 B14R2.3 OCCCC1=CNC2=C1C=CC=C2 78414 [0,0,1,0,0,0|2,0,0]=3 25 B14R2.6 C1=CC=C(SC2CCNCC2)C=C1 AR1838 [0,0,1,0,0,0|1,0,2]=4 26 B14R2.24 CC1=C(C2=CCNCC2)C=CC=C1 P19805 [0,0,1,0,0,0|3,0,0]=4 27 B14R2.24 ClC1=C([C@@H]2CNCCO2)C=CC=C1 AR1121 [0,0,1,0,0,0|2,0,1]=4 28 B14R2.24 ClC1=C([C@@H]2CNCCS2)C=CC=C1 AR1265 [0,0,1,0,0,0|2,0,1]=4 29 B14R2.24 O=C1CCCCN1C2=CC=CC=C2 C12699 [0,0,1,0,0,0|3,0,0]=4 30 B14R2.517 CC1=C(CCN)C2=C(C=CC=C2)N1 36557 [0,0,1,0,0,0|2,0,0]=3 31 B14R2.1129 CCC1=C(C=O)C2=C(C=CC=C2)S1 D76343 [0,0,1,0,0,0|2,0,1]=4 32 B14R3.49 C1=CC2=C(C=C1)N3CCNC3=N2 SC1079 [0,0,0,0,1,0|2,0,1]=4 33 B16R3.9 C1=CC2=C(C=C1)[C@@H]3CNCCN3CC2 C13003 [0,0,0,0,0,1|2,0,1]=4 34 B16R3.9 C1=CC2=C(C=C1)[C@@H]3CNCCN3CC2 C13014 [0,0,0,0,0,1|2,0,1]=4 35 B16R3.9 C1=CC2=C(C=C1)[C@@H]3CNCCN3CC2 I10535 [0,0,0,0,0,1|2,0,1]=4 36 B16R3.1722 C1=CC2=C(C=C1)C3=C(CCCCC3)N2 C73875 [0,0,0,0,0,1|1,0,0]=2 37 B16R3.1722 C1=CC2=C(C=C1)N3CCNCCC3=N2 C72438 [0,0,0,0,0,1|1,0,1]=3 38 B13R2.1 C=CCC1=CNC2=C1C=CC=C2 29424 [1,0,1,0,0,0|0,0,2]=4 39 B13R2.1 CNCC1=CN=C2C=CC=CN12 72807 [1,0,1,0,0,0|1,0,1]=4 40 B13R2.1 COCC1=CNC2=C1C=CC=C2 A12849 [1,0,1,0,0,0|1,0,0]=3 41 B13R2.1 NCCC1=CNC2=C1C=CN=C2 P18760 [1,0,1,0,0,0|2,0,0]=4 42 B13R2.1 NCCC1=CNC2=NC=CC=C12 F13298 [1,0,1,0,0,0|2,0,0]=4 43 B13R2.1 NCCC1=CNC2=NC=CC=C12 Y10080 [1,0,1,0,0,0|2,0,0]=4 44 B13R2.1 NCCC1=NNC2=C1C=CC=C2 27672 [1,0,1,0,0,0|2,0,0]=4 45 B13R2.3 C1=CC=C([C@@H]2CNCCO2)C=C1 F13065 [1,0,1,0,0,0|1,0,1]=4 46 B13R2.3 C1=CC=C([C@@H]2CNCCO2)C=C1 F13093 [1,0,1,0,0,0|1,0,1]=4 47 B13R2.3 C1=CC=C([C@@H]2CNCCS2)C=C1 AR1250 [1,0,1,0,0,0|1,0,1]=4 48 B13R2.3 C1=CC=C([C@H]2CCCNC2)C=C1 59523 [1,0,1,0,0,0|0,0,2]=4 49 B13R2.3 C1=CC=C([C@H]2CCCNC2)C=C1 59524 [1,0,1,0,0,0|0,0,2]=4 50 B13R2.26 BrCCC1=NC2=C(C=CC=C2)N1 AC1375 [1,0,1,0,0,0|2,0,0]=4 51 B13R2.26 CCSC1=NC2=C(C=CC=C2)N1 60969 [1,0,1,0,0,0|2,0,0]=4 52 B13R2.26 CNCC1=NC2=C(C=CC=C2)S1 71599 [1,0,1,0,0,0|1,0,1]=4 53 B13R2.26 ClCCC1=NC2=C(C=CC=C2)N1 29420 [1,0,1,0,0,0|2,0,0]=4 54 B13R2.26 NCCC1=CC2=C(C=CC=C2)N1 F13295 [1,0,1,0,0,0|0,0,0]=2 55 B13R2.26 NCCC1=NC2=C(C=CC=C2)N1 C76966 [1,0,1,0,0,0|1,0,0]=3 56 B13R2.45 CC1=C(C#N)NC2=C1C=CC=C2 F11746 [1,0,1,0,0,0|0,0,2]=4 57 B13R2.45 CC1=C(C=O)NC2=C1C=CC=C2 C13632 [1,0,1,0,0,0|1,0,1]=4 58 B13R2.45 CN1C(CN)=CC2=C1C=CC=C2 D70659 [1,0,1,0,0,0|2,0,0]=4 59 B15R2.17719 CC1=CC2=C(C=C1)NC=C2CCCN AC6407 [0,1,1,0,0,0|2,0,0]=4 60 B15R2.17719 NCCCC1=CNC2=C1C=C(F)C=C2 A12332 [0,1,1,0,0,0|2,0,0]=4 61 B15R2.17719 OCCCC1=CNC2=C1C=C(Br)C=C2 N16991 [0,1,1,0,0,0|2,0,0]=4 62 B15R2.1660 CC(=O)CCC1=NC2=C(C=CC=C2)N1 F53154 [0,1,1,0,0,0|2,0,0]=4 63 B15R2.993 CC1=C(CN(C)C)C2=CC=CN=C2N1 S11718 [0,1,1,0,0,0|1,0,0]=3 64 B15R2.19393 COC(=O)C1=C(C)NC2=C1C=CC=C2 F20119 [0,1,1,0,0,0|1,0,1]=4 65 B15R2.56717 CC1=C(CCN)C2=C(C=CC(O)=C2)N1 Y11118 [0,1,1,0,0,0|2,0,0]=4 66 B15R3.2009 N[C@@H]1CC2=C(C1)C3=C(C=CC=C3)N2 C72100 [0,1,0,0,1,0|0,0,0]=2 67 B17R3.1513 COC1=CC2=C(C=C1)NC3=C2CCCC3 31778 [0,2,0,0,0,0|1,0,0]=3 68 B17R3.1513 COC1=CC2=C(C=C1)NC3=C2CNCC3 C14513 [0,2,0,0,0,0|0,0,0]=2 69 B17R3.51120 CC1=CC=CC2=C1NC3=C2CCCC3=O A12439 [0,2,0,0,0,0|1,0,1]=4 70 B13R2.64 C1=CC=C(C[C@H]2CCNC2)C=C1 C78600 [0,0,1,0,1,0|1,0,1]=4 71 B13R2.64 C1=CC=C(O[C@H]2CCNC2)C=C1 C77876 [0,0,1,0,1,0|1,0,1]=4 72 B13R2.64 C1=CC=C(O[C@H]2CCNC2)C=C1 C78595 [0,0,1,0,1,0|1,0,1]=4 73 B13R2.15 NC1=C(C2=CC=CC=C2)NN=C1 D85523 [0,0,1,0,1,0|1,0,1]=4 74 B13R2.15 NC1CCCC1C2=CC=CC=C2 C76071 [0,0,1,0,1,0|0,0,2]=4 75 B13R2.18 BrC1=C([C@H]2CCNC2)C=CC=C1 28293 [0,0,1,0,1,0|1,0,1]=4 76 B13R2.18 BrC1=C([C@H]2CCNC2)C=CC=C1 N10931 [0,0,1,0,1,0|1,0,1]=4 77 B13R2.18 NC1=C(C2=CNN=C2)C=CC=C1 W19247 [0,0,1,0,1,0|1,0,1]=4 78 B13R2.18 NC1=C(C2=NCCO2)C=CC=C1 AB11149 [0,0,1,0,1,0|1,0,1]=4 79 B13R2.18 NC1=C(C2=NNC=C2)C=CC=C1 T71597 [0,0,1,0,1,0|1,0,1]=4 80 B13R2.67 C1=CC2=C(C=C1)NCCCCC2 91524 [0,0,1,0,1,0|0,0,2]=4 81 B13R2.67 C1=CC2=C(C=C1)NCCCNC2 C72386 [0,0,1,0,1,0|0,0,1]=3 82 B15R2.352 CCCCC1=CC2=CC=CC=C2C=C1 73799 [0,0,1,0,0,1|2,0,0]=4 83 B15R2.2195 C1=CC=C(CNC2CCNCC2)C=C1 P18616 [0,0,1,0,0,1|0,0,2]=4 84 B15R2.2195 C1=CC=C(NCC2CCNCC2)C=C1 AC9032 [0,0,1,0,0,1|0,0,2]=4