0 B15R3.3 C1=CC2=C(C=C1)C3=C(CCNC3)N2 O31864 [0,0,0,0,0,0|0,0,0]=0 1 B15R3.3 C1=CN=C2C(=C1)NC3=C2CCCC3 P43316 [0,0,0,0,0,0|2,0,0]=2 2 B16R3.2583 CN1CCC2=C(C1)C3=C(C=CC=C3)N2 M15753 [0,1,0,0,0,0|0,0,0]=1 3 B16R3.2637 BrC1=CC2=C(C=C1)C3=C(CCCC3)N2 P43208 [0,1,0,0,0,0|1,0,0]=2 4 B16R3.2637 BrC1=CN=C2C(=C1)NC3=C2CCCC3 P43547 [0,1,0,0,0,0|2,0,0]=3 5 B16R3.2637 NC1CCC2=C(C1)NC3=C2C=CC=C3 O32589 [0,1,0,0,0,0|1,0,0]=2 6 B16R3.3329 BrC1=CC=CC2=C1NC3=C2CNCC3 P43532 [0,1,0,0,0,0|0,0,0]=1 7 B16R3.3329 BrC1=CC=CC2=C1N[C@H]3CCNC[C@@H]23 L14990 [0,1,0,0,0,0|0,0,2]=3 8 B14R2.3 CNCCC1=CNC2=C1C=CC=C2 10761 [0,0,1,0,0,0|2,0,0]=3 9 B14R2.3 OCCCC1=CNC2=C1C=CC=C2 O30784 [0,0,1,0,0,0|2,0,0]=3 10 B14R2.6 C1=CC=C(NC2CCOCC2)C=C1 P38554 [0,0,1,0,0,0|1,0,2]=4 11 B14R2.24 BrC1=CC=CC=C1C2CNCCO2 P42670 [0,0,1,0,0,0|2,0,1]=4 12 B14R2.24 CC1=CC=CC=C1C2CNCCO2 P43041 [0,0,1,0,0,0|2,0,1]=4 13 B14R2.24 ClC1=CC=CC=C1C2CNCCN2 P36788 [0,0,1,0,0,0|2,0,1]=4 14 B14R2.24 FC1=CC=CC=C1C2CNCCN2 P41468 [0,0,1,0,0,0|2,0,1]=4 15 B14R2.24 NC1=CC=CC=C1N2CCCCC2 P38330 [0,0,1,0,0,0|2,0,1]=4 16 B14R2.517 CC1=C(CCN)C2=CC=CN=C2N1 P45614 [0,0,1,0,0,0|3,0,0]=4 17 B13R2.1 C=CCC1=CNC2=CC=CC=C12 L13592 [1,0,1,0,0,0|0,0,2]=4 18 B13R2.1 NCCC1=CNC2=C1C=CN=C2 P44189 [1,0,1,0,0,0|2,0,0]=4 19 B13R2.1 NCCC1=CNC2=C1N=CC=C2 P45849 [1,0,1,0,0,0|2,0,0]=4 20 B13R2.1 NCCC1=CNC2=CN=CC=C12 Q62322 [1,0,1,0,0,0|2,0,0]=4 21 B13R2.1 NCCC1=CNC2=CN=CC=C12 Q62323 [1,0,1,0,0,0|2,0,0]=4 22 B13R2.1 NCCC1=CNC2=NC=CC=C12 P45584 [1,0,1,0,0,0|2,0,0]=4 23 B13R2.1 NCCC1=NNC2=C1C=CC=C2 10148 [1,0,1,0,0,0|2,0,0]=4 24 B13R2.1 OCCC1=CNC2=C1C=CC=C2 L13311 [1,0,1,0,0,0|1,0,0]=3 25 B13R2.3 C1=CC=C(C2=CCOCC2)C=C1 C-3463 [1,0,1,0,0,0|2,0,0]=4 26 B13R2.3 C1=CC=C(C2CNCCN2)C=C1 Q52055 [1,0,1,0,0,0|1,0,1]=4 27 B13R2.3 C1=CC=C(C2CNCCO2)C=C1 O28572 [1,0,1,0,0,0|1,0,1]=4 28 B13R2.3 C1=CC=C([C@@H]2CNCCO2)C=C1 P42169 [1,0,1,0,0,0|1,0,1]=4 29 B13R2.3 C1=CC=C([C@H]2CNCCO2)C=C1 P36312 [1,0,1,0,0,0|1,0,1]=4 30 B13R2.26 CNCC1=CC2=CC=CN=C2S1 O30063 [1,0,1,0,0,0|2,0,0]=4 31 B13R2.26 NCCC1=NC2=CC=CC=C2N1 O34490 [1,0,1,0,0,0|1,0,0]=3 32 B13R2.26 OCCC1=CC2=CC=CC=C2N1 Q53535 [1,0,1,0,0,0|1,0,0]=3 33 B13R2.135 CC1=C(CN)N2C=CC=CC2=N1 Q62733 [1,0,1,0,0,0|1,0,1]=4 34 B15R2.4 N[C@H](CO)CC1=CNC2=CC=CC=C12 P39033 [0,1,1,0,0,0|2,0,0]=4 35 B15R2.5 O=CCCCC1=CNC2=CC=CC=C12 Q60380 [0,1,1,0,0,0|1,0,1]=4 36 B15R2.6 CC(C)NCC1=CNC2=C1C=CC=N2 P48002 [0,1,1,0,0,0|1,0,0]=3 37 B15R2.17719 OCCCC1=CNC2=C1C=C(Br)C=C2 P51119 [0,1,1,0,0,0|2,0,0]=4 38 B15R2.2203 CNCCCC1=NC2=CC=CC=C2N1 Q69897 [0,1,1,0,0,0|1,0,0]=3 39 B15R2.993 CC1=C(CN(C)C)C2=CC=CN=C2N1 M23883 [0,1,1,0,0,0|1,0,0]=3 40 B15R2.11815 CC1=C(CCN)C2=C(N1)C(Cl)=CC=C2 Q55350 [0,1,1,0,0,0|2,0,0]=4 41 B15R2.56716 CC1=CC=CC2=C1C(CCN)=C(C)N2 O31976 [0,1,1,0,0,0|2,0,0]=4 42 B15R2.56717 CC1=C(CCN)C2=C(C=CC(O)=C2)N1 P51667 [0,1,1,0,0,0|2,0,0]=4 43 B15R2.4190 CC(C)C1=C(C=O)C2=CC=CC=C2N1 Q60381 [0,1,1,0,0,0|1,0,1]=4 44 B15R3.10083 O=C1CCC2=C1C3=C(C=CC=C3)N2 Q65376 [0,1,0,0,1,0|0,0,1]=3 45 B15R3.10083 O=C1NCC2=C1C3=C(C=CC=C3)N2 Q65369 [0,1,0,0,1,0|0,0,1]=3 46 B17R3.35227 ClC1=C2C=CC=CC2=NC3=C1CCCC3 P37557 [0,1,0,0,0,1|1,0,1]=4 47 B17R3.35227 NC1=C2CCCCC2=NC3=CC=CC=C31 P38835 [0,1,0,0,0,1|1,0,1]=4 48 B17R3.3210 CN1CCC2=C(CC1)C3=C(C=CC=C3)N2 O32380 [0,1,0,0,0,1|0,0,0]=2 49 B17R3.284867 O=C1CCCC2=C1NC3=CC=C(Br)C=C32 Q54291 [0,2,0,0,0,0|1,0,1]=4 50 B17R3.1577 O\N=C1\CCC2=C(C1)NC3=C2C=CC=C3 Q69297 [0,2,0,0,0,0|1,0,1]=4 51 B17R3.19746 O=C1CCCC2=C1C3=C(C=C(Br)C=C3)N2 P43477 [0,2,0,0,0,0|1,0,1]=4 52 B15R3.1736 C1=CC2=C(C=C1)C(C3CNC3)=CN2 O32039 [0,0,1,1,0,0|2,0,0]=4 53 B13R2.64 C1=CC=C(CC2CCNC2)C=C1 O28255 [0,0,1,0,1,0|1,0,1]=4 54 B13R2.64 C1=CC=C(OC2CCNC2)C=C1 O28741 [0,0,1,0,1,0|1,0,1]=4 55 B13R2.64 C1=CC=C(O[C@@H]2CCNC2)C=C1 O28826 [0,0,1,0,1,0|1,0,1]=4 56 B13R2.64 C1=CC=C(O[C@H]2CCNC2)C=C1 O28815 [0,0,1,0,1,0|1,0,1]=4 57 B13R2.15 N[C@@H]1CCC[C@H]1C2=CC=CC=C2 L19894 [0,0,1,0,1,0|0,0,2]=4 58 B13R2.18 BrC1=CC=CC=C1C2CCNC2 P42317 [0,0,1,0,1,0|1,0,1]=4 59 B13R2.18 CC1=CC=CC=C1C2CCNC2 P34841 [0,0,1,0,1,0|1,0,1]=4 60 B13R2.18 ClC1=CC=CC=C1C2CCNC2 O34428 [0,0,1,0,1,0|1,0,1]=4 61 B13R2.18 FC1=CC=CC=C1C2CCNC2 P35451 [0,0,1,0,1,0|1,0,1]=4 62 B13R2.18 NC1=CC=CC=C1C2CCCC2 O32004 [0,0,1,0,1,0|0,0,2]=4 63 B13R2.18 NC1=CC=CC=C1N2CCCC2 P39710 [0,0,1,0,1,0|1,0,1]=4 64 B15R2.2195 C1=CC=C(CNC2CCNCC2)C=C1 P45021 [0,0,1,0,0,1|0,0,2]=4 65 B15R2.4392 CC1=CC(CNN)=C2C=CC=CC2=N1 L20782 [0,0,1,0,0,1|1,0,1]=4