0 B15R3.3 C1=CC2=C(C=C1)C3=C(N=CC=N3)N2 3H32-1-6Z [0,0,0,0,0,0|3,0,1]=4 1 B15R3.3 C1=CC=C2C(=C1)C=C3CCCCN32 3H32-1-4Z [0,0,0,0,0,0|3,0,0]=3 2 B15R3.3 C1=CC=C2C(=C1)C=C3CNCCN32 3H32-1-63 [0,0,0,0,0,0|4,0,0]=4 3 B15R3.3 C1=CN=C2C(=C1)NC3=C2CCCC3 3H31-1-AH [0,0,0,0,0,0|2,0,0]=2 4 B16R3.2583 BrC1=CC=C2NC3=C(CNCC3)C2=C1 3H31-9-1L [0,1,0,0,0,0|0,0,0]=1 5 B16R3.2583 FC1=CC=C2NC3=C(CCNC3)C2=C1 3H31-3-4A [0,1,0,0,0,0|2,0,0]=3 6 B16R3.2583 FC1=CC=C2NC3=C(CNCC3)C2=C1 3H31-3-06 [0,1,0,0,0,0|0,0,0]=1 7 B16R3.2583 N[C@@H]1CCC2=C(C1)C3=CC=CC=C3N2 3H30-1-RE [0,1,0,0,0,0|1,0,0]=2 8 B16R3.2637 BrC1=CC=C2C(=C1)NC3=C2CCCC3 3H31-9-0B [0,1,0,0,0,0|1,0,0]=2 9 B16R3.2637 BrC1=CN=C2C(=C1)NC3=C2CCCC3 3H31-9-0C [0,1,0,0,0,0|2,0,0]=3 10 B16R3.2637 FC1=CC=C2C(=C1)NC3=C2CCNC3 3H31-3-6P [0,1,0,0,0,0|2,0,0]=3 11 B16R3.2637 NC1CCC2=C(C1)NC3=CC=CC=C32 3H31-1-1S [0,1,0,0,0,0|1,0,0]=2 12 B16R3.3329 BrC1=C2NC3=C(CNCC3)C2=CC=C1 3H31-D-31 [0,1,0,0,0,0|0,0,0]=1 13 B16R3.3329 FC1=C2NC3=C(CCNC3)C2=CC=C1 3H31-3-47 [0,1,0,0,0,0|2,0,0]=3 14 B16R3.3329 O=C1CCCC2=C1NC3=CC=CC=C32 4H17-1-37 [0,1,0,0,0,0|1,0,1]=3 15 B14R2.3 CCCNC1=CNC2=CC=CC=C21 3H31-1-DV [0,0,1,0,0,0|2,0,0]=3 16 B14R2.3 OCCCC1=CNC2=CC=CC=C12 4H01-1-3C [0,0,1,0,0,0|2,0,0]=3 17 B14R2.3 O\N=C\CC1=CNC2=CC=CC=C12 4H47-1-14 [0,0,1,0,0,0|3,0,0]=4 18 B14R2.6 C1=CC=C(CN2CCNCC2)C=C1 3H32-1-37 [0,0,1,0,0,0|2,0,1]=4 19 B14R2.6 C1=CC=C(CN2CCNCC2)C=C1 3H32-5-44 [0,0,1,0,0,0|2,0,1]=4 20 B14R2.6 C1=CC=C(NC2CCCCC2)C=C1 3631-5-X3 [0,0,1,0,0,0|1,0,2]=4 21 B14R2.6 C1=CC=C(NC2CCNCC2)C=C1 3H31-1-36 [0,0,1,0,0,0|0,0,2]=3 22 B14R2.6 C1=CC=C(SC2CCNCC2)C=C1 7H66-5-X0 [0,0,1,0,0,0|1,0,2]=4 23 B14R2.24 CC1=CC=CC=C1C2=CCNCC2 3H33-5-2V [0,0,1,0,0,0|3,0,0]=4 24 B14R2.24 CN1CCNCC1C2=CC=CC=C2 3H32-1-JV [0,0,1,0,0,0|2,0,1]=4 25 B14R2.24 ClC1=CC=CC=C1C2CNCCS2 7H70-5-27 [0,0,1,0,0,0|2,0,1]=4 26 B14R2.24 FC1=CC=CC=C1C2CNCCO2 4H44-3-02 [0,0,1,0,0,0|2,0,1]=4 27 B14R2.24 O=C1CCCCC1C2=CC=CC=C2 2617-1-1P [0,0,1,0,0,0|2,0,1]=4 28 B14R2.24 O=C1CCNCC1C2=CC=CC=C2 4H56-5-BD [0,0,1,0,0,0|1,0,1]=3 29 B14R2.67 CCCCC1=CC2=CC=CC=C2O1 2H10-1-0M [0,0,1,0,0,0|2,0,0]=3 30 B14R2.67 CCCCC1=NC2=CC=CC=C2S1 7H70-1-1F [0,0,1,0,0,0|2,0,1]=4 31 B14R2.67 NCCCC1=NC2=CC=CC=C2N1 3H30-5-84 [0,0,1,0,0,0|3,0,0]=4 32 B14R2.67 OCCCC1=NC2=CC=CC=C2N1 4H01-1-0S [0,0,1,0,0,0|3,0,0]=4 33 B14R2.517 CCCN1C(=O)NC2=CC=CC=C21 4H53-1-1N [0,0,1,0,0,0|3,0,0]=4 34 B14R2.517 CNCC1=C(C)N=C2C=CC=CN21 3H31-1-87 [0,0,1,0,0,0|1,0,1]=3 35 B14R2.517 CNCC1=C(C)NC2=CC=CC=C21 3H31-1-85 [0,0,1,0,0,0|0,0,0]=1 36 B14R2.1129 CCC1=C(C=O)C2=CC=CC=C2O1 2H15-1-0S [0,0,1,0,0,0|2,0,1]=4 37 B16R3.1720 C1=CN=C2N=C3CCNCC3=CC2=C1 3H32-1-Q2 [0,0,0,0,0,1|1,0,1]=3 38 B13R2.1 C=CCC1=CNC2=CC=CC=C12 3H31-1-4U [1,0,1,0,0,0|0,0,2]=4 39 B13R2.1 CNCC1=CN=C2C=CC=CN12 3H31-1-CH [1,0,1,0,0,0|1,0,1]=4 40 B13R2.1 COCC1=CNC2=CC=CC=C12 4H07-1-5C [1,0,1,0,0,0|1,0,0]=3 41 B13R2.1 NCCC1=CNC2=CN=CC=C12 3H30-1-45 [1,0,1,0,0,0|2,0,0]=4 42 B13R2.1 NCCC1=CNC2=NC=CC=C12 3H30-1-85 [1,0,1,0,0,0|2,0,0]=4 43 B13R2.1 OCCC1=COC2=CC=CC=C12 2H01-1-05 [1,0,1,0,0,0|2,0,0]=4 44 B13R2.3 C1=CC=C(C2=CCNCC2)C=C1 3H31-5-77 [1,0,1,0,0,0|2,0,0]=4 45 B13R2.3 C1=CC=C(C2=CCOCC2)C=C1 2H10-1-51 [1,0,1,0,0,0|2,0,0]=4 46 B13R2.3 C1=CC=C(C2CCCNC2)C=C1 3H31-5-36 [1,0,1,0,0,0|0,0,2]=4 47 B13R2.3 C1=CC=C(C2CNCCN2)C=C1 3H31-5-57 [1,0,1,0,0,0|1,0,1]=4 48 B13R2.3 C1=CC=C(C2CNCCO2)C=C1 4H56-5-P9 [1,0,1,0,0,0|1,0,1]=4 49 B13R2.3 C1=CC=C(C2CNCCS2)C=C1 7H70-5-25 [1,0,1,0,0,0|1,0,1]=4 50 B13R2.3 C1=CC=C([C@H]2CCCNC2)C=C1 3H31-1-RD [1,0,1,0,0,0|0,0,2]=4 51 B13R2.26 BrCCC1=NC2=CC=CC=C2N1 3H31-9-61 [1,0,1,0,0,0|2,0,0]=4 52 B13R2.26 CCCC1=NC2=CC=CC=C2N1 3H44-1-02 [1,0,1,0,0,0|1,0,0]=3 53 B13R2.26 CCCC1=NC2=CC=CC=C2S1 7H70-1-0D [1,0,1,0,0,0|1,0,1]=4 54 B13R2.26 CCSC1=NC2=CC=CC=C2N1 7H66-1-1B [1,0,1,0,0,0|2,0,0]=4 55 B13R2.26 CNCC1=CC2=CC=CC=C2S1 7H33-5-09 [1,0,1,0,0,0|1,0,0]=3 56 B13R2.26 CNCC1=CC2=CC=CN=C2S1 7H31-1-X1 [1,0,1,0,0,0|2,0,0]=4 57 B13R2.26 CNCC1=CN2C=CC=CC2=N1 3H32-1-23 [1,0,1,0,0,0|1,0,1]=4 58 B13R2.26 CNCC1=NC2=CC=CC=C2N1 3H31-1-CG [1,0,1,0,0,0|1,0,0]=3 59 B13R2.26 CNCC1=NC2=CC=CC=C2S1 7H31-1-14 [1,0,1,0,0,0|1,0,1]=4 60 B13R2.26 FCCC1=NC2=CC=CC=C2N1 3H32-3-1A [1,0,1,0,0,0|2,0,0]=4 61 B13R2.26 NCCC1=CN2C=CC=CC2=N1 3H30-1-NP [1,0,1,0,0,0|1,0,1]=4 62 B13R2.26 NCCC1=NC2=CC=CC=C2N1 3H30-5-8C [1,0,1,0,0,0|1,0,0]=3 63 B13R2.26 NCCC1=NC2=CC=CC=C2S1 7H70-1-5C [1,0,1,0,0,0|1,0,1]=4 64 B13R2.45 CN1C(CN)=CC2=CC=CC=C21 3H30-1-M9 [1,0,1,0,0,0|2,0,0]=4 65 B13R2.45 CN1C2=CC=CC=C2N=C1CN 3H30-1-4T [1,0,1,0,0,0|1,0,1]=4 66 B13R2.135 CC1=C(C#N)C2=CC=CC=C2N1 3H37-1-9H [1,0,1,0,0,0|0,0,2]=4 67 B13R2.135 CC1=C(CN)N2C=CC=CC2=N1 3H30-1-PV [1,0,1,0,0,0|1,0,1]=4 68 B13R2.135 CCN1C(=O)NC2=CC=CC=C21 4H53-1-1B [1,0,1,0,0,0|2,0,0]=4 69 B13R2.135 CCN1C2=CC=CC=C2N=C1C 3H32-1-5W [1,0,1,0,0,0|1,0,1]=4 70 B13R2.135 NCC1C(=O)NC2=CC=CC=C21 4H48-5-0S [1,0,1,0,0,0|1,0,1]=4 71 B15R2.4 COC(=O)CC1=CNC2=CC=CC=C12 4H58-1-345 [0,1,1,0,0,0|2,0,0]=4 72 B15R2.4 N[C@@H](CO)CC1=CNC2=CC=CC=C12 4H56-1-280 [0,1,1,0,0,0|2,0,0]=4 73 B15R2.4 N[C@H](CO)CC1=CNC2=CC=CC=C12 4H56-1-279 [0,1,1,0,0,0|2,0,0]=4 74 B15R2.6 CC(=O)CCC1=CNC2=CC=CC=C12 4H17-1-Z5 [0,1,1,0,0,0|1,0,1]=4 75 B15R2.73 CCOC(=O)C1=CNC2=CC=CC=C21 4H23-1-GH [0,1,1,0,0,0|1,0,1]=4 76 B15R2.17719 OCCCC1=CNC2=CC=C(F)C=C12 4H01-3-52 [0,1,1,0,0,0|2,0,0]=4 77 B15R2.31 O=C1C=C(NC2=CC=CC=C2)CCC1 4956-1-02 [0,1,1,0,0,0|1,0,1]=4 78 B15R2.38 O=C1CNCCN1CC2=CC=CC=C2 4H48-1-4T [0,1,1,0,0,0|2,0,0]=4 79 B15R2.889 CCN1C2=CC=CC=C2N=C1CCN 3H30-1-5M [0,1,1,0,0,0|1,0,1]=4 80 B15R2.4362 CC1=CC=C2C(=C1)N=C(CCN)N2C 3H30-1-5L [0,1,1,0,0,0|1,0,1]=4 81 B15R2.2203 CCCCCC1=CC2=CC=CC=C2N1 3H31-1-0C [0,1,1,0,0,0|1,0,0]=3 82 B15R2.993 CC1=C(CN(C)C)C2=CC=CC=C2N1 3H32-1-NC [0,1,1,0,0,0|0,0,0]=2 83 B15R2.993 CC1=C(CN(C)C)C2=CC=CN=C2N1 3H32-1-MC [0,1,1,0,0,0|1,0,0]=3 84 B15R3.10083 O=C1CCC2=C1C3=CC=CC=C3N2 4H56-1-KE [0,1,0,0,1,0|0,0,1]=3 85 B15R3.10083 O=C1NCC2=C1C3=CC=CC=C3N2 4H48-1-CX [0,1,0,0,1,0|0,0,1]=3 86 B17R3.35227 ClC1=C2CCCCC2=NC3=CC=CC=C31 3H32-5-A0 [0,1,0,0,0,1|1,0,1]=4 87 B17R3.35227 NC1=C2CCCCC2=NC3=CC=CC=C31 3H30-5-62 [0,1,0,0,0,1|1,0,1]=4 88 B17R3.19747 NC1CCC2=C(C1)NC3=CC=C(F)C=C32 3H31-3-0L [0,2,0,0,0,0|1,0,0]=3 89 B17R3.31627 CC1=CC2=C(C=C1)NC3CCN(C)CC23 3H33-5-27 [0,2,0,0,0,0|0,0,2]=4 90 B17R3.19746 O=C1CCCC2=C1C3=CC=C(Br)C=C3N2 4H17-9-0C [0,2,0,0,0,0|1,0,1]=4 91 B17R3.633 CCC1NCCC2=C1NC3=CC=CC=C32 3H31-1-56 [0,2,0,0,0,0|2,0,0]=4 92 B17R3.4408 CN1C2=CC=CC=C2C3=C1CCCC3=O 4H17-1-95 [0,2,0,0,0,0|1,0,1]=4 93 B13R2.64 C1=CC=C(CC2CCNC2)C=C1 3H31-1-T1 [0,0,1,0,1,0|1,0,1]=4 94 B13R2.64 C1=CC=C(OC2CCNC2)C=C1 4H56-5-CA [0,0,1,0,1,0|1,0,1]=4 95 B13R2.64 C1=CC=C(O[C@@H]2CCNC2)C=C1 4H07-5-R1 [0,0,1,0,1,0|1,0,1]=4 96 B13R2.15 NC1=CNN=C1C2=CC=CC=C2 3H30-1-KZ [0,0,1,0,1,0|1,0,1]=4 97 B13R2.15 O=C1CCCN1C2=CC=CC=C2 4H48-1-051 [0,0,1,0,1,0|2,0,0]=4 98 B13R2.18 ClC1=CC=CC=C1C2CCNC2 4H21-5-74 [0,0,1,0,1,0|1,0,1]=4 99 B13R2.18 FC1=CC=CC=C1C2CCNC2 3H31-3-67 [0,0,1,0,1,0|1,0,1]=4 100 B13R2.18 FC1=CC=CC=C1C2CCNC2 3H31-7-15 [0,0,1,0,1,0|1,0,1]=4 101 B13R2.18 OC1=CC=CC=C1C2=NCCN2 4H01-1-99 [0,0,1,0,1,0|2,0,0]=4 102 B15R2.2195 C1=CC=C(CNC2CCNCC2)C=C1 3H31-5-89 [0,0,1,0,0,1|0,0,2]=4