0 B15R3.3 C1=CC2=C(C=C1)C3=C(CCCC3)N2 SBB003845 [0,0,0,0,0,0|1,0,0]=1 1 B15R3.3 C1=CC2=C(C=C1)C3=C(CCNC3)N2 SBB004411 [0,0,0,0,0,0|0,0,0]=0 2 B15R3.3 C1=CC=C2C(=C1)N=C3NCCCN23 SBB019192 [0,0,0,0,0,0|3,0,1]=4 3 B15R3.3 C1=CC=C2C(=C1)NC3=C2C=CC=C3 SBB040883 [0,0,0,0,0,0|1,0,3]=4 4 B15R3.3 C1=CC=C2C(=C1)NC3=C2CCNC3 SBB048967 [0,0,0,0,0,0|2,0,0]=2 5 B16R3.2583 BrC1=CC2=C(C=C1)NC3=C2CCCC3 SBB005339 [0,1,0,0,0,0|1,0,0]=2 6 B16R3.2583 CC1=CC2=C(C=C1)NC3=C2CCCC3 SBB005336 [0,1,0,0,0,0|1,0,0]=2 7 B16R3.2583 CC1=CC2=C(C=C1)NC3=C2CNCC3 SBB004412 [0,1,0,0,0,0|0,0,0]=1 8 B16R3.2583 CC1=CC2=C(C=C1)NC3CCCCC23 SBB302098 [0,1,0,0,0,0|1,0,2]=4 9 B16R3.2583 CC1CCC2=C(C1)C3=CC=CC=C3N2 SBB076432 [0,1,0,0,0,0|1,0,0]=2 10 B16R3.2583 CN1CCC2=C(C1)C3=CC=CC=C3N2 SBB048963 [0,1,0,0,0,0|0,0,0]=1 11 B16R3.2583 ClC1=CC2=C(C=C1)NC3=C2CCNC3 SBB024225 [0,1,0,0,0,0|2,0,0]=3 12 B16R3.2583 ClC1=CC2=C(C=C1)NC3=C2CNCC3 SBB004415 [0,1,0,0,0,0|0,0,0]=1 13 B16R3.2583 ClC1=CC=C2NC3=C(CCCC3)C2=C1 SBB044917 [0,1,0,0,0,0|1,0,0]=2 14 B16R3.2583 NC1=CC2=C(C=C1)OC3=C2CCCC3 SBB002594 [0,1,0,0,0,0|2,0,0]=3 15 B16R3.2583 NC1=CC=C2NC3=C(CCCC3)C2=C1 SBB018621 [0,1,0,0,0,0|1,0,0]=2 16 B16R3.2583 OC1=CC2=C(C=C1)OC3=C2CCCC3 SBB009986 [0,1,0,0,0,0|2,0,0]=3 17 B16R3.2637 FC1=CC2=C(C=C1)C3=C(CNCC3)N2 SBB091135 [0,1,0,0,0,0|2,0,0]=3 18 B16R3.3329 CC1=C2NC3=C(CNCC3)C2=CC=C1 SBB010747 [0,1,0,0,0,0|0,0,0]=1 19 B16R3.3329 CC1NCCC2=C1NC3=CC=CC=C32 SBB007400 [0,1,0,0,0,0|2,0,0]=3 20 B16R3.3329 ClC1=C2NC3=C(CNCC3)C2=CC=C1 SBB011163 [0,1,0,0,0,0|0,0,0]=1 21 B16R3.3329 NC1=CC=CC2=C1OC3=C2CCCC3 SBB009598 [0,1,0,0,0,0|2,0,0]=3 22 B16R3.3329 NC1CCCC2=C1NC3=C2C=CC=C3 SBB018720 [0,1,0,0,0,0|1,0,0]=2 23 B16R3.3329 O=C1CCCC2=C1NC3=C2C=CC=C3 SBB012615 [0,1,0,0,0,0|1,0,1]=3 24 B16R3.3329 O=C1NCCC2=C1NC3=C2C=CC=C3 SBB002123 [0,1,0,0,0,0|2,0,1]=4 25 B16R3.3329 OC1CCCC2=C1NC3=CC=CC=C32 SBB013831 [0,1,0,0,0,0|1,0,0]=2 26 B14R2.3 NCCSC1=CNC2=C1C=CC=C2 SBB018018 [0,0,1,0,0,0|3,0,0]=4 27 B14R2.6 C1=CC=C(NC2CCCCC2)C=C1 SBB072661 [0,0,1,0,0,0|1,0,2]=4 28 B14R2.6 N1CCC(CC2=CC=CC=C2)CC1 SBB027306 [0,0,1,0,0,0|1,0,2]=4 29 B14R2.24 NC1=C(N2CCCCC2)C=CC=C1 SBB003777 [0,0,1,0,0,0|2,0,1]=4 30 B14R2.44 CN1C(CCN)=NC2=C1C=CC=C2 SBB010582 [0,0,1,0,0,0|1,0,1]=3 31 B14R2.44 CN1C(CCN)=NC2=C1N=CC=C2 SBB018855 [0,0,1,0,0,0|2,0,1]=4 32 B14R2.44 CN1C(CCO)=NC2=C1C=CC=C2 SBB018698 [0,0,1,0,0,0|2,0,1]=4 33 B14R2.44 NCCN1CC2=CC=CC=C2C1=O SBB072122 [0,0,1,0,0,0|3,0,0]=4 34 B14R2.67 CCCSC1=NC2=CC=CC=C2N1 SBB045192 [0,0,1,0,0,0|3,0,0]=4 35 B14R2.67 NCCCC1=NC2=C(C=CC=C2)N1 SBB013188 [0,0,1,0,0,0|3,0,0]=4 36 B14R2.67 OCCCC1=NC2=C(C=CC=C2)N1 SBB019229 [0,0,1,0,0,0|3,0,0]=4 37 B14R2.517 CC1=C(CCN)C2=C(C=CC=C2)N1 SBB005329 [0,0,1,0,0,0|2,0,0]=3 38 B14R2.517 CCCN1C(=S)NC2=CC=CC=C21 SBB014018 [0,0,1,0,0,0|3,0,0]=4 39 B14R2.1129 CCC1=C(C=O)C2=C(C=CC=C2)O1 SBB088909 [0,0,1,0,0,0|2,0,1]=4 40 B14R3.49 C1=CC2=C(C=C1)C3=C(CCC3)N2 SBB049783 [0,0,0,0,1,0|0,0,0]=1 41 B14R3.49 C1=CC=C2C(=C1)N=C3NCCN23 SBB010413 [0,0,0,0,1,0|2,0,1]=4 42 B16R3.1720 C1=NC=C2C=C3CNCCC3=NC2=C1 SBB090303 [0,0,0,0,0,1|1,0,1]=3 43 B16R3.1722 C1=CC2=C(C=C1)C3=C(CCCCC3)N2 SBB079698 [0,0,0,0,0,1|1,0,0]=2 44 B13R2.1 N#CCC1=CNC2=CC=CC=C12 SBB055967 [1,0,1,0,0,0|1,0,1]=4 45 B13R2.1 OCCC1=CNC2=C1C=CC=C2 SBB003950 [1,0,1,0,0,0|1,0,0]=3 46 B13R2.3 C1=CC=C(C2=CCCCC2)C=C1 SBB061269 [1,0,1,0,0,0|1,0,0]=3 47 B13R2.3 C1=CC=C(C2=CCNCC2)C=C1 SBB003589 [1,0,1,0,0,0|2,0,0]=4 48 B13R2.3 C1=CC=C(C2CCCNC2)C=C1 SBB010187 [1,0,1,0,0,0|0,0,2]=4 49 B13R2.3 C1=CC=C(C2CNCCN2)C=C1 SBB087643 [1,0,1,0,0,0|1,0,1]=4 50 B13R2.26 CCCC1=NC2=CC=CC=C2N1 SBB042551 [1,0,1,0,0,0|1,0,0]=3 51 B13R2.26 CCSC1=NC2=CC=CC=C2N1 SBB045190 [1,0,1,0,0,0|2,0,0]=4 52 B13R2.26 CNCC1=CC2=C(C=CC=C2)S1 SBB094868 [1,0,1,0,0,0|1,0,0]=3 53 B13R2.26 CNCC1=CC2=CC=CC=C2S1 SBB109117 [1,0,1,0,0,0|1,0,0]=3 54 B13R2.26 CNCC1=NC2=C(C=CC=C2)N1 SBB010432 [1,0,1,0,0,0|1,0,0]=3 55 B13R2.26 COCC1=NC2=CC=CC=C2N1 SBB044978 [1,0,1,0,0,0|2,0,0]=4 56 B13R2.26 NCCC1=CN2C=CC=CC2=N1 SBB079615 [1,0,1,0,0,0|1,0,1]=4 57 B13R2.26 NCCC1=NC2=CC=CC=C2N1 SBB002734 [1,0,1,0,0,0|1,0,0]=3 58 B13R2.26 NCCC1=NC2=CC=CC=C2N1 SBB015243 [1,0,1,0,0,0|1,0,0]=3 59 B13R2.26 OCCC1=NC2=CC=CC=C2N1 SBB044521 [1,0,1,0,0,0|2,0,0]=4 60 B13R2.45 CC1=C(C=O)NC2=CC=CC=C21 SBB010412 [1,0,1,0,0,0|1,0,1]=4 61 B13R2.45 CN1C(CN)=NC2=C1C=CC=C2 SBB027647 [1,0,1,0,0,0|1,0,1]=4 62 B13R2.135 CC1=C(C=O)C2=C(C=CC=C2)N1 SBB015331 [1,0,1,0,0,0|1,0,1]=4 63 B13R2.135 CC[N+]1=C(C)SC2=C1C=CC=C2 SBB058248 [1,0,1,0,0,0|2,0,0]=4 64 B13R2.135 CC[N+]1=C(C)SC2=C1C=CC=C2 SBB059412 [1,0,1,0,0,0|2,0,0]=4 65 B13R2.135 N\N=C1/C(=O)NC2=C1C=CC=C2 SBB062318 [1,0,1,0,0,0|2,0,0]=4 66 B15R2.4 N1C=C(C[C@H](N)CO)C2=C1C=CC=C2 SBB027264 [0,1,1,0,0,0|2,0,0]=4 67 B15R2.6 CC(=O)CCC1=CNC2=C1C=CC=C2 SBB090594 [0,1,1,0,0,0|1,0,1]=4 68 B15R2.73 CCOC(=O)C1=CNC2=C1C=CC=C2 SBB066688 [0,1,1,0,0,0|1,0,1]=4 69 B15R2.1435 CC1=C(CCCN)C2=C(C=CC=C2)N1 SBB014763 [0,1,1,0,0,0|2,0,0]=4 70 B15R2.17719 OCCCC1=CNC2=C1C=C(F)C=C2 SBB014846 [0,1,1,0,0,0|2,0,0]=4 71 B15R2.29 CN1CCC(NC2=CC=CC=C2)CC1 SBB026571 [0,1,1,0,0,0|0,0,2]=4 72 B15R2.29 FC1=CC=C(NC2CCNCC2)C=C1 SBB013579 [0,1,1,0,0,0|0,0,2]=4 73 B15R2.31 O=C1C=C(NC2=CC=CC=C2)CCC1 SBB037874 [0,1,1,0,0,0|1,0,1]=4 74 B15R2.38 O=C1CCCC\C1=C\C2=CC=CC=C2 SBB116827 [0,1,1,0,0,0|2,0,0]=4 75 B15R2.89 CN1C2=CC=CC=C2N=C1CCCN SBB046624 [0,1,1,0,0,0|1,0,1]=4 76 B15R2.889 CCN1C2=CC=CC=C2N=C1CCN SBB073723 [0,1,1,0,0,0|1,0,1]=4 77 B15R2.2203 CCCCSC1=NC2=CC=CC=C2N1 SBB046230 [0,1,1,0,0,0|2,0,0]=4 78 B15R2.2203 CNCCCC1=NC2=CC=CC=C2N1 SBB046706 [0,1,1,0,0,0|1,0,0]=3 79 B15R2.993 CC1=C(CC(=O)O)C2=CC=CC=C2N1 SBB028513 [0,1,1,0,0,0|2,0,0]=4 80 B15R2.10698 CC1=C(CCN)C2=C(C=CC=C2)N1C SBB012645 [0,1,1,0,0,0|2,0,0]=4 81 B15R2.11815 CC1=C(CCN)C2=C(N1)C(Br)=CC=C2 SBB017178 [0,1,1,0,0,0|2,0,0]=4 82 B15R2.11815 CC1=C(CCN)C2=C(N1)C(Cl)=CC=C2 SBB012635 [0,1,1,0,0,0|2,0,0]=4 83 B15R2.11815 CC1=C(CCN)C2=C(N1)C(F)=CC=C2 SBB012625 [0,1,1,0,0,0|2,0,0]=4 84 B15R2.11815 CC1=CC=CC2=C1NC(C)=C2CCN SBB012639 [0,1,1,0,0,0|2,0,0]=4 85 B15R2.56717 CC1=C(CCN)C2=C(C=CC(Br)=C2)N1 SBB001763 [0,1,1,0,0,0|2,0,0]=4 86 B15R2.56717 CC1=C(CCN)C2=C(C=CC(Cl)=C2)N1 SBB012640 [0,1,1,0,0,0|2,0,0]=4 87 B15R2.56717 CC1=C(CCN)C2=C(C=CC(F)=C2)N1 SBB012641 [0,1,1,0,0,0|2,0,0]=4 88 B15R2.56717 CC1=C(CCN)C2=C(C=CC(I)=C2)N1 SBB001761 [0,1,1,0,0,0|2,0,0]=4 89 B15R2.56717 CC1=CC2=C(C=C1)NC(C)=C2CCN SBB010780 [0,1,1,0,0,0|2,0,0]=4 90 B15R2.201 CCC1=C(C=O)C2=CC=CC=C2N1C SBB010757 [0,1,1,0,0,0|1,0,1]=4 91 B15R3.10591 BrC1=CC=C2NC3=C(CCC3)C2=C1 SBB098520 [0,1,0,0,1,0|0,0,0]=2 92 B17R3.35227 ClC1=C2CCCCC2=NC3=CC=CC=C31 SBB005366 [0,1,0,0,0,1|1,0,1]=4 93 B17R3.35227 NC1=C2CCCCC2=NC3=C1C=CC=C3 SBB003134 [0,1,0,0,0,1|1,0,1]=4 94 B17R3.35227 NC1=C2CCCCC2=NC3=C1C=CC=C3 SBB003560 [0,1,0,0,0,1|1,0,1]=4 95 B17R3.35227 NC1=C2CCCCC2=NC3=C1C=CC=C3 SBB017537 [0,1,0,0,0,1|1,0,1]=4 96 B17R3.1513 CCN1CCC2=C(C1)C3=CC=CC=C3N2 SBB076433 [0,2,0,0,0,0|0,0,0]=2 97 B17R3.1513 COC1=CC2=C(C=C1)NC3=C2CCNC3 SBB003224 [0,2,0,0,0,0|2,0,0]=4 98 B17R3.1513 COC1=CC2=C(C=C1)NC3=C2CCNC3 SBB049781 [0,2,0,0,0,0|2,0,0]=4 99 B17R3.1513 COC1=CC2=C(C=C1)NC3=C2CNCC3 SBB004413 [0,2,0,0,0,0|0,0,0]=2 100 B17R3.1513 NCC1=CC2=C(C=C1)NC3=C2CCCC3 SBB005671 [0,2,0,0,0,0|1,0,0]=3 101 B17R3.31627 CC1=CC2=C(C=C1)NC3=C2CN(C)CC3 SBB009260 [0,2,0,0,0,0|0,0,0]=2 102 B17R3.31627 CC1=CC2=C(C=C1)NC3CCN(C)CC23 SBB001648 [0,2,0,0,0,0|0,0,2]=4 103 B17R3.284867 CC1=CC=C2NC3=C(CCCC3=O)C2=C1 SBB009878 [0,2,0,0,0,0|1,0,1]=4 104 B17R3.284867 NC1=CC=C2NC3=C(CCCC3=O)C2=C1 SBB015031 [0,2,0,0,0,0|1,0,1]=4 105 B17R3.284867 NC1CCCC2=C1NC3=C2C=C(Cl)C=C3 SBB019230 [0,2,0,0,0,0|1,0,0]=3 106 B17R3.284867 O=C1CCCC2=C1NC3=C2C=C(Cl)C=C3 SBB014433 [0,2,0,0,0,0|1,0,1]=4 107 B17R3.284867 O=C1CCCC2=C1NC3=CC=C(Br)C=C32 SBB014282 [0,2,0,0,0,0|1,0,1]=4 108 B17R3.284867 OC1CCCC2=C1NC3=C2C=C(Cl)C=C3 SBB014467 [0,2,0,0,0,0|1,0,0]=3 109 B17R3.284867 OC1CCCC2=C1NC3=CC=C(Br)C=C32 SBB014283 [0,2,0,0,0,0|1,0,0]=3 110 B17R3.30495 NC1=CC=C2C(=C1)NC3=C2CCCC3=O SBB018683 [0,2,0,0,0,0|1,0,1]=4 111 B17R3.31811 CC1=C(C)C2=C(C=C1)C3=C(CCNC3)N2 SBB010993 [0,2,0,0,0,0|0,0,0]=2 112 B17R3.633 N#CC1CCCC2=C1NC3=CC=CC=C32 SBB014245 [0,2,0,0,0,0|1,0,0]=3 113 B17R3.633 NCC1CCCC2=C1NC3=C2C=CC=C3 SBB018805 [0,2,0,0,0,0|1,0,0]=3 114 B17R3.4408 CN1C2=C(C=CC=C2)C3=C1CCCC3=O SBB002406 [0,2,0,0,0,0|1,0,1]=4 115 B13R2.64 C1=CC=C(NC2=NCCS2)C=C1 SBB079576 [0,0,1,0,1,0|2,0,0]=4 116 B13R2.15 NC1=NNC=C1C2=CC=CC=C2 SBB028333 [0,0,1,0,1,0|1,0,1]=4 117 B13R2.18 NC1=CC=CC=C1N2CCCC2 SBB026006 [0,0,1,0,1,0|1,0,1]=4 118 B13R2.18 OC1=C(C2=NCCN2)C=CC=C1 SBB057456 [0,0,1,0,1,0|2,0,0]=4 119 B15R2.352 CCCCC1=CC=C2C=CC=CC2=C1 SBB061521 [0,0,1,0,0,1|2,0,0]=4 120 B15R2.2195 C1=CC=C(NN=C2CCCCC2)C=C1 SBB008635 [0,0,1,0,0,1|1,0,1]=4 121 B15R2.4392 CNCC1=CC(O)=NC2=CC=CC=C12 SBB010775 [0,0,1,0,0,1|1,0,1]=4 122 B15R2.2115 COC1=CC=C2C=CC=CC2=C1CN SBB017993 [0,0,1,0,0,1|2,0,0]=4 123 B17R3.9117 C1=CC2=C(C=C1)C3=C(CCCCCC3)N2 SBB055988 [0,0,0,0,0,2|1,0,0]=3