0 B15R3.3 C1=CC2=C(C=C1)C3=C(C=CC=C3)N2 2842366 [0,0,0,0,0,0|1,0,3]=4 1 B15R3.3 C1=CC2=C(C=C1)C3=C(CCCC3)N2 7010090010 [0,0,0,0,0,0|1,0,0]=1 2 B15R3.3 C1=CC=C2C(=C1)N=C3NCCCN23 4045911 [0,0,0,0,0,0|3,0,1]=4 3 B15R3.3 C1=CC=C2C(=C1)NC3=C2CCNC3 1232900 [0,0,0,0,0,0|2,0,0]=2 4 B15R3.3 C1=CC=C2C(=C1)NC3=C2CNCC3 1089967 [0,0,0,0,0,0|0,0,0]=0 5 B15R3.3 C1=CC=C2C(=C1)NC3=C2CNCC3 15386121 [0,0,0,0,0,0|0,0,0]=0 6 B16R3.2583 CN1CCC2=C(C1)C3=CC=CC=C3N2 4034624 [0,1,0,0,0,0|0,0,0]=1 7 B16R3.2583 ClC1=CC=C2NC3=C(CNCC3)C2=C1 1056711 [0,1,0,0,0,0|0,0,0]=1 8 B16R3.2583 FC1=CC2=C(C=C1)NC3=C2CCNC3 4248583 [0,1,0,0,0,0|2,0,0]=3 9 B16R3.2583 FC1=CC=C2NC3=C(CNCC3)C2=C1 1056710 [0,1,0,0,0,0|0,0,0]=1 10 B16R3.2583 NC1=CC=C2NC3=C(CCCC3)C2=C1 1313449 [0,1,0,0,0,0|1,0,0]=2 11 B16R3.2583 NC1CCC2=C(C1)C3=CC=CC=C3N2 3507389 [0,1,0,0,0,0|1,0,0]=2 12 B16R3.2637 NC1CCC2=C(C1)NC3=C2C=CC=C3 4034690 [0,1,0,0,0,0|1,0,0]=2 13 B16R3.3329 BrC1=C2NC3=C(CNCC3)C2=CC=C1 15298380 [0,1,0,0,0,0|0,0,0]=1 14 B16R3.3329 FC1=C2NC3=C(CNCC3)C2=CC=C1 1368623 [0,1,0,0,0,0|0,0,0]=1 15 B16R3.3329 NC1CCCC2=C1NC3=C2C=CC=C3 2476421 [0,1,0,0,0,0|1,0,0]=2 16 B16R3.3329 O=C1CCCC2=C1NC3=CC=CC=C32 3463656 [0,1,0,0,0,0|1,0,1]=3 17 B16R3.20606 CN1C2=C(C=CC=C2)C3=C1CCNC3 4034633 [0,1,0,0,0,0|0,0,0]=1 18 B16R3.27838 O=C1CCCC2=C1C3=C(C=CC=C3)N2 3356657 [0,1,0,0,0,0|1,0,1]=3 19 B14R2.3 NCCCC1=CNC2=C1C=CC=N2 4044659 [0,0,1,0,0,0|3,0,0]=4 20 B14R2.6 C1=CC=C(CC2CCNCC2)C=C1 1043248 [0,0,1,0,0,0|1,0,2]=4 21 B14R2.6 C1=CC=C(CN2CCNCC2)C=C1 1047669 [0,0,1,0,0,0|2,0,1]=4 22 B14R2.6 C1=CC=C(OC2CCNCC2)C=C1 1184335 [0,0,1,0,0,0|1,0,2]=4 23 B14R2.24 CC1=C(C2CNCCO2)C=CC=C1 1055916 [0,0,1,0,0,0|2,0,1]=4 24 B14R2.24 CN1CCNCC1C2=CC=CC=C2 1148759 [0,0,1,0,0,0|2,0,1]=4 25 B14R2.24 ClC1=C(C2CNCCO2)C=CC=C1 1055925 [0,0,1,0,0,0|2,0,1]=4 26 B14R2.24 FC1=C(C2CNCCO2)C=CC=C1 1055919 [0,0,1,0,0,0|2,0,1]=4 27 B14R2.24 OC1=CC=CC=C1C2CCCNC2 15298441 [0,0,1,0,0,0|1,0,2]=4 28 B14R2.44 CN1C(CCO)=CC2=CC=CC=C21 5740285 [0,0,1,0,0,0|3,0,0]=4 29 B14R2.44 CN1C2=CC=CC=C2N=C1CCN 1207363 [0,0,1,0,0,0|1,0,1]=3 30 B14R2.44 CN1C2=CC=CC=C2N=C1CCN 15298345 [0,0,1,0,0,0|1,0,1]=3 31 B14R2.44 NCCN1CC2=CC=CC=C2C1=O 15298185 [0,0,1,0,0,0|3,0,0]=4 32 B14R2.67 CCCSC1=NC2=CC=CC=C2N1 0111910126 [0,0,1,0,0,0|3,0,0]=4 33 B14R2.67 NCCCC1=NC2=CC=CC=C2N1 1056478 [0,0,1,0,0,0|3,0,0]=4 34 B14R2.67 OCCCC1=NC2=C(C=CC=C2)N1 1056487 [0,0,1,0,0,0|3,0,0]=4 35 B14R2.517 CC1=C(CC#N)C2=CC=CC=C2N1 1201346 [0,0,1,0,0,0|2,0,0]=3 36 B14R3.49 C1=CC2=C(C=C1)N3CCNC3=N2 7216070023 [0,0,0,0,1,0|2,0,1]=4 37 B14R3.49 C1=CC=C2C(=C1)N=C3CCCN23 5970950 [0,0,0,0,1,0|1,0,1]=3 38 B16R3.9 C1=CC=C2C(=C1)CCN3CCNCC23 1055752 [0,0,0,0,0,1|2,0,1]=4 39 B16R3.1722 C1=CC=C2C(=C1)NC3=C2CCCNC3 4034711 [0,0,0,0,0,1|1,0,0]=2 40 B13R2.1 NCCC1=CNC2=C1C=CC=C2 2832112 [1,0,1,0,0,0|1,0,0]=3 41 B13R2.1 NCCC1=COC2=CC=CC=C12 1499599 [1,0,1,0,0,0|2,0,0]=4 42 B13R2.3 C1=CC=C(C2CNCCO2)C=C1 1055915 [1,0,1,0,0,0|1,0,1]=4 43 B13R2.3 C1=CC=C(C2CNCCO2)C=C1 6466394 [1,0,1,0,0,0|1,0,1]=4 44 B13R2.26 CCSC1=NC2=CC=CC=C2N1 7016000491 [1,0,1,0,0,0|2,0,0]=4 45 B13R2.26 CNCC1=NC2=CC=CC=C2N1 1056477 [1,0,1,0,0,0|1,0,0]=3 46 B13R2.26 NCCC1=CC2=C(C=CC=C2)O1 1178796 [1,0,1,0,0,0|1,0,0]=3 47 B13R2.26 NCCC1=CN2C=CC=CC2=N1 7020410121 [1,0,1,0,0,0|1,0,1]=4 48 B13R2.26 NCCC1=NC2=CC=CC=C2N1 0125160009 [1,0,1,0,0,0|1,0,0]=3 49 B13R2.26 OCCC1=NC2=CC=CC=C2N1 1056486 [1,0,1,0,0,0|2,0,0]=4 50 B13R2.26 SCCC1=NC2=C(C=CC=C2)N1 7018850980 [1,0,1,0,0,0|2,0,0]=4 51 B13R2.45 CN1C(CN)=NC2=C1C=CC=C2 1207432 [1,0,1,0,0,0|1,0,1]=4 52 B13R2.45 CN1C2=CC=CC=C2N=C1CN 7553782 [1,0,1,0,0,0|1,0,1]=4 53 B13R2.135 CC1=C(C=O)C2=C(C=CC=C2)N1 0127441736 [1,0,1,0,0,0|1,0,1]=4 54 B13R2.135 CC1=C(CN)N2C=CC=CC2=N1 1038055 [1,0,1,0,0,0|1,0,1]=4 55 B15R2.17719 OCCCC1=CNC2=CC=C(Cl)C=C12 1232879 [0,1,1,0,0,0|2,0,0]=4 56 B15R2.17719 OCCCC1=CNC2=CC=C(F)C=C12 1232880 [0,1,1,0,0,0|2,0,0]=4 57 B15R2.89 CN1C2=CC=CC=C2N=C1CCCN 15298254 [0,1,1,0,0,0|1,0,1]=4 58 B15R2.993 CC1=C(CC(=O)O)C2=CC=CC=C2N1 1149920 [0,1,1,0,0,0|2,0,0]=4 59 B15R2.993 CC1=C(CN(C)C)C2=C(C=CC=C2)N1 8651520 [0,1,1,0,0,0|0,0,0]=2 60 B15R2.993 CN(C)\C=C1/C(=O)NC2=CC=CC=C21 3463409 [0,1,1,0,0,0|1,0,1]=4 61 B15R2.56717 CC1=C(CCN)C2=CC(F)=CC=C2N1 5969872 [0,1,1,0,0,0|2,0,0]=4 62 B15R2.56717 CC1=C(CCN)C2=CC(O)=CC=C2N1 7139379 [0,1,1,0,0,0|2,0,0]=4 63 B15R3.50 ClC1=CC=C2C(=C1)N=C3CCCN23 15386337 [0,1,0,0,1,0|1,0,1]=4 64 B15R3.2249 O=C1CCC2=C1NC3=CC=CC=C32 3463647 [0,1,0,0,1,0|0,0,1]=3 65 B17R3.54615 O=C1NC2=CC=CC=C2C3=C1CNCC3 5252124 [0,1,0,0,0,1|2,0,0]=4 66 B17R3.1513 COC1=CC2=C(C=C1)NC3=C2CCCC3 4249495 [0,2,0,0,0,0|1,0,0]=3 67 B17R3.1513 COC1=CC2=C(C=C1)NC3=C2CCNC3 3488426 [0,2,0,0,0,0|2,0,0]=4 68 B17R3.1513 COC1=CC=C2NC3=C(CNCC3)C2=C1 1089966 [0,2,0,0,0,0|0,0,0]=2 69 B17R3.1513 NCC1=CC=C2NC3=C(CCCC3)C2=C1 7115750007 [0,2,0,0,0,0|1,0,0]=3 70 B17R3.1513 OCC1CC2=C(CN1)NC3=C2C=CC=C3 3686550 [0,2,0,0,0,0|2,0,0]=4 71 B17R3.19747 CC1=CC2=C(C=C1)NC3=C2CCC(N)C3 4017825 [0,2,0,0,0,0|1,0,0]=3 72 B17R3.31626 CC1=CC2=C(C=C1)NC3=C2C(=O)CCC3 2413805 [0,2,0,0,0,0|1,0,1]=4 73 B17R3.31713 CN1C2=CC=CC=C2C3=C1CCC(N)C3 3507409 [0,2,0,0,0,0|1,0,0]=3 74 B17R3.284867 CC1=CC2=C(C=C1)NC3=C2CCCC3N 15298432 [0,2,0,0,0,0|1,0,0]=3 75 B17R3.284867 CC1=CC=C2NC3=C(CCCC3=O)C2=C1 3357307 [0,2,0,0,0,0|1,0,1]=4 76 B17R3.284867 NC1CCCC2=C1NC3=C2C=C(Cl)C=C3 3981088 [0,2,0,0,0,0|1,0,0]=3 77 B17R3.284867 NC1CCCC2=C1NC3=C2C=C(F)C=C3 4012828 [0,2,0,0,0,0|1,0,0]=3 78 B17R3.284867 O=C1CCCC2=C1NC3=CC=C(Cl)C=C32 3463620 [0,2,0,0,0,0|1,0,1]=4 79 B17R3.284867 O=C1CCCC2=C1NC3=CC=C(F)C=C32 3463642 [0,2,0,0,0,0|1,0,1]=4 80 B17R3.633 COC1=C2NC3=C(CNCC3)C2=CC=C1 1369922 [0,2,0,0,0,0|0,0,0]=2 81 B17R3.633 O\N=C1\CCCC2=C1NC3=CC=CC=C32 6665651 [0,2,0,0,0,0|1,0,1]=4 82 B17R3.51120 CC1=C2NC3=C(CCCC3=O)C2=CC=C1 3463645 [0,2,0,0,0,0|1,0,1]=4 83 B17R3.51120 NC1CCCC2=C1NC3=C2C=CC=C3Cl 2465478 [0,2,0,0,0,0|1,0,0]=3 84 B17R3.51120 O=C1CCCC2=C1NC3=C(Cl)C=CC=C23 11576327 [0,2,0,0,0,0|1,0,1]=4 85 B13R2.15 O=C1CCNC1C2=CC=CC=C2 4053098 [0,0,1,0,1,0|1,0,1]=4 86 B15R2.888 NCCC1=CC2=CC=CC=C2NC1=O 1048832 [0,0,1,0,0,1|2,0,0]=4 87 B15R2.4392 CNCC1=CC(=O)NC2=C1C=CC=C2 5681570 [0,0,1,0,0,1|1,0,0]=3