0 B10R1.27 NC(CO)CC1=CN=CS1 Z2731749295 [0,0,0,0,0,0|1,0,2]=3 1 B10R1.27 N[C@H](CO)CC1=CNC=N1 Z2697164739 [0,0,0,0,0,0|0,0,4]=4 2 B9R1.12 CCCCC1=CN=CO1 Z2520746593 [1,0,0,0,0,0|2,0,1]=4 3 B9R1.12 O=CCCC1=CON=C1 Z2238235999 [1,0,0,0,0,0|2,0,0]=3 4 B9R1.12 O=CCCC1=CSC=C1 Z993017658 [1,0,0,0,0,0|2,0,0]=3 5 B9R1.12 O=CCCC1=NNC=N1 Z3271398040 [1,0,0,0,0,0|1,0,2]=4 6 B9R1.13 CC(N)CC1=CC=CO1 Z285143986 [1,0,0,0,0,0|2,0,1]=4 7 B9R1.13 CC(N)CC1=CC=CS1 Z1160899518 [1,0,0,0,0,0|2,0,1]=4 8 B9R1.13 CC(N)CC1=CNN=C1 Z5233405251 [1,0,0,0,0,0|2,0,1]=4 9 B9R1.13 CC(N)CC1=COC=C1 Z1098234443 [1,0,0,0,0,0|2,0,1]=4 10 B9R1.13 CC(N)CN1C=CN=C1 Z271011862 [1,0,0,0,0,0|2,0,1]=4 11 B9R1.13 CC(N)CN1C=NC=N1 Z271011738 [1,0,0,0,0,0|1,0,2]=4 12 B9R1.13 NC(=O)CC1=CC=CN1 Z1203579730 [1,0,0,0,0,0|1,0,1]=3 13 B9R1.13 O=C(O)CC1=CN=CN1 Z2738358143 [1,0,0,0,0,0|1,0,1]=3 14 B9R1.13 O=C(O)CC1=CN=CS1 Z1198176810 [1,0,0,0,0,0|2,0,1]=4 15 B9R1.13 O=C(O)CC1=NN=CN1 Z2372279646 [1,0,0,0,0,0|2,0,1]=4 16 B11R1.35 CC(CC1=CC=CS1)C(=O)O Z756390536 [0,1,0,0,0,0|3,0,0]=4 17 B11R1.35 CC(CN1C=CN=C1)C(=O)O Z1431781034 [0,1,0,0,0,0|3,0,0]=4 18 B11R1.35 NC(CC1=CC=CN1)C(=O)O Z1065645554 [0,1,0,0,0,0|1,0,0]=2 19 B11R1.35 NC(CC1=CC=CO1)C(=O)O Z317025794 [0,1,0,0,0,0|2,0,0]=3 20 B11R1.35 NC(CC1=CC=NO1)C(=O)O Z2429425584 [0,1,0,0,0,0|2,0,0]=3 21 B11R1.35 NC(CC1=CN=CS1)C(=O)O Z2753010848 [0,1,0,0,0,0|1,0,0]=2 22 B11R1.35 NC(CC1=CNC=N1)C(=O)O Z1259162152 [0,1,0,0,0,0|0,0,2]=3 23 B11R1.35 NC(CC1=COC=C1)C(=O)O Z3839442137 [0,1,0,0,0,0|2,0,0]=3 24 B11R1.35 NC(CC1=COC=N1)C(=O)O Z3377962909 [0,1,0,0,0,0|1,0,1]=3 25 B11R1.35 NC(CC1=CSC=C1)C(=O)O Z3251695259 [0,1,0,0,0,0|2,0,0]=3 26 B11R1.35 NC(CC1=CSC=N1)C(=O)O Z3355847058 [0,1,0,0,0,0|1,0,1]=3 27 B11R1.35 NC(CC1=NC=NS1)C(=O)O Z3753017084 [0,1,0,0,0,0|1,0,1]=3 28 B11R1.35 NC(CC1=NNC=C1)C(=O)O Z2503042485 [0,1,0,0,0,0|2,0,1]=4 29 B11R1.35 NC(CC1=NNC=N1)C(=O)O Z3479679094 [0,1,0,0,0,0|1,0,2]=4 30 B11R1.35 NC(CC1=NSN=C1)C(=O)O Z3379430810 [0,1,0,0,0,0|1,0,1]=3 31 B11R1.35 NC(CN1C=CC=N1)C(=O)O Z2933867195 [0,1,0,0,0,0|2,0,1]=4 32 B11R1.35 NC(CN1C=CN=C1)C(=O)O Z2310727968 [0,1,0,0,0,0|2,0,0]=3 33 B11R1.35 NC(CN1C=CN=N1)C(=O)O Z4271765232 [0,1,0,0,0,0|3,0,0]=4 34 B11R1.35 NC(CN1C=NC=N1)C(=O)O Z1702888516 [0,1,0,0,0,0|1,0,1]=3 35 B11R1.35 N[C@@H](CC1=CNC=N1)C(=O)O Z359369984 [0,1,0,0,0,0|0,0,2]=3 36 B11R1.35 N[C@H](CC1=CNC=N1)C(=O)O Z1079168982 [0,1,0,0,0,0|0,0,2]=3 37 B11R1.35 O=C(O)/C(=C\C1=CN=CN1)/F Z3211706104 [0,1,0,0,0,0|1,0,2]=4 38 B11R1.35 O=C(O)C(O)CN1C=NC=N1 Z2865625689 [0,1,0,0,0,0|2,0,1]=4 39 B11R1.35 O=C(O)[C@@H](O)CC1=CNC=N1 Z3410265465 [0,1,0,0,0,0|1,0,2]=4 40 B11R1.228 CC(C=O)CC1=CC=NN1C Z1238838222 [0,1,0,0,0,0|3,0,0]=4 41 B11R2.32 O=C[C@@H]1C[C@H]1C2=CC=CO2 Z3581743888 [0,0,0,1,0,0|3,0,0]=4 42 B11R2.32 O=C[C@@H]1C[C@H]1C2=CC=CS2 Z3581757674 [0,0,0,1,0,0|3,0,0]=4 43 B11R2.32 O=C[C@@H]1C[C@H]1C2=CSC=C2 Z3581743841 [0,0,0,1,0,0|3,0,0]=4 44 B11R2.36 NC1CCC2=C(C1)SC=N2 Z2310679110 [0,0,0,1,0,0|2,0,1]=4 45 B11R2.36 NC1CCN2C=NN=C2C1 Z4582089633 [0,0,0,1,0,0|2,0,1]=4 46 B11R2.36 N[C@H]1CCC2=C(C1)SC=N2 Z2327402646 [0,0,0,1,0,0|2,0,1]=4 47 B9R1.11 CC(CN)C1=CN=CN1 Z2865711302 [0,0,0,0,1,0|2,0,1]=4 48 B9R1.11 CCC(N)C1=NN=CN1 Z1255523392 [0,0,0,0,1,0|2,0,1]=4 49 B11R1.40 CC(C=O)CC1=CC=CC=C1 Z1198150055 [0,0,0,0,0,1|3,0,0]=4 50 B11R1.40 NC(CO)CC1=CC=NC=C1 Z1824511267 [0,0,0,0,0,1|1,0,2]=4 51 B8R1.8 N#CCC1=CN=CN1 Z1198166128 [2,0,0,0,0,0|0,0,2]=4 52 B8R1.8 NCCC1=CC=CN1 Z810507730 [2,0,0,0,0,0|1,0,0]=3 53 B8R1.8 NCCC1=CC=CO1 Z1694636467 [2,0,0,0,0,0|2,0,0]=4 54 B8R1.8 NCCC1=CC=CS1 Z90662945 [2,0,0,0,0,0|2,0,0]=4 55 B8R1.8 NCCC1=CC=NS1 Z2768432862 [2,0,0,0,0,0|2,0,0]=4 56 B8R1.8 NCCC1=CNC=N1 Z1267773750 [2,0,0,0,0,0|0,0,2]=4 57 B8R1.8 NCCC1=CNN=C1 Z336080532 [2,0,0,0,0,0|2,0,0]=4 58 B8R1.8 NCCC1=COC=C1 Z2310701825 [2,0,0,0,0,0|2,0,0]=4 59 B8R1.8 NCCC1=NN=CN1 Z1687906395 [2,0,0,0,0,0|1,0,0]=3 60 B8R1.8 NCCC1=NN=CS1 Z3067374940 [2,0,0,0,0,0|2,0,0]=4 61 B8R1.8 NCCC1=NN=NN1 Z1160899439 [2,0,0,0,0,0|2,0,0]=4 62 B8R1.8 NCCN1C=CN=C1 Z147642864 [2,0,0,0,0,0|2,0,0]=4 63 B8R1.8 NCCN1C=NC=N1 Z381061410 [2,0,0,0,0,0|1,0,1]=4 64 B8R1.8 O=CCC1=CC=CO1 Z1179944709 [2,0,0,0,0,0|2,0,0]=4 65 B8R1.8 O=CCC1=CC=CS1 Z993017816 [2,0,0,0,0,0|2,0,0]=4 66 B8R1.8 O=CCC1=CSC=C1 Z1079442684 [2,0,0,0,0,0|2,0,0]=4 67 B8R1.8 OCCC1=CN=CS1 Z1198334159 [2,0,0,0,0,0|1,0,1]=4 68 B10R1.16 CN1C=C(C=N1)CCC=O Z993017784 [1,1,0,0,0,0|2,0,0]=4 69 B10R1.29 CN1C=NC=C1CCCO Z1198265551 [1,1,0,0,0,0|0,0,2]=4 70 B10R1.66 CC(=O)CCC1=CSC=C1 Z444869186 [1,1,0,0,0,0|2,0,0]=4 71 B10R1.66 CC(=O)CCN1C=NC=N1 Z362119624 [1,1,0,0,0,0|1,0,1]=4 72 B10R1.66 CC(=O)NCC1=NN=CN1 Z667699864 [1,1,0,0,0,0|2,0,0]=4 73 B10R1.66 O=C(O)CCC1=CC=CS1 Z57052863 [1,1,0,0,0,0|2,0,0]=4 74 B10R1.66 O=C(O)CCC1=CC=NN1 Z3063833168 [1,1,0,0,0,0|2,0,0]=4 75 B10R1.66 O=C(O)CCC1=CN=CO1 Z1255388483 [1,1,0,0,0,0|1,0,0]=3 76 B10R1.66 O=C(O)CCC1=CNC=N1 Z1770193418 [1,1,0,0,0,0|0,0,2]=4 77 B10R1.66 O=C(O)CCC1=CNN=C1 Z2251841401 [1,1,0,0,0,0|2,0,0]=4 78 B10R1.66 O=C(O)CCC1=COC=C1 Z1098234501 [1,1,0,0,0,0|2,0,0]=4 79 B10R1.66 O=C(O)CCC1=CON=C1 Z1205656268 [1,1,0,0,0,0|2,0,0]=4 80 B10R1.66 O=C(O)CCC1=CSC=C1 Z85923469 [1,1,0,0,0,0|2,0,0]=4 81 B10R1.66 O=C(O)CCC1=CSC=N1 Z381407422 [1,1,0,0,0,0|1,0,1]=4 82 B10R1.66 O=C(O)CCC1=NC=CN1 Z1913661002 [1,1,0,0,0,0|2,0,0]=4 83 B10R1.66 O=C(O)CCC1=NN=CN1 Z1350606441 [1,1,0,0,0,0|1,0,0]=3 84 B10R1.66 O=C(O)CCC1=NN=CS1 Z4302498044 [1,1,0,0,0,0|2,0,0]=4 85 B10R1.66 O=C(O)CCN1C=CN=C1 Z53111117 [1,1,0,0,0,0|2,0,0]=4 86 B10R1.66 O=C(O)CCN1C=NC=N1 Z220616946 [1,1,0,0,0,0|1,0,1]=4 87 B10R1.66 O=C(O)CSC1=NN=CN1 Z55118850 [1,1,0,0,0,0|2,0,0]=4 88 B10R1.64 CC(N)CC1=NN=CN1C Z5090447814 [1,1,0,0,0,0|1,0,1]=4 89 B10R1.64 CN1C=NC=C1CC(=O)O Z1741785912 [1,1,0,0,0,0|1,0,1]=4 90 B10R1.149 CN1C=NC=C1C(N)CO Z2527586590 [0,1,0,0,1,0|0,0,2]=4 91 B12R1.264 CC(OCC1=CN=CS1)C(=O)O Z1714302130 [0,1,0,0,0,1|2,0,0]=4 92 B12R1.264 NC(CCC1=CNN=C1)C(=O)O Z3486116939 [0,1,0,0,0,1|2,0,0]=4 93 B12R1.43 CC(=O)C(N)CC1=CC=CC=C1 Z90124995 [0,1,0,0,0,1|2,0,0]=4 94 B12R1.43 CC(CC1=CC=NC=C1)C(=O)O Z3477804988 [0,1,0,0,0,1|2,0,0]=4 95 B12R1.43 NC(=O)C(N)CC1=CC=CC=C1 Z317075516 [0,1,0,0,0,1|2,0,0]=4 96 B12R1.43 NC(=O)C(N)CC1=NC=CC=C1 Z4981909244 [0,1,0,0,0,1|1,0,1]=4 97 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 Z760046820 [0,1,0,0,0,1|2,0,0]=4 98 B12R1.43 NC(=O)[C@H](N)CC1=CC=CC=C1 Z933616656 [0,1,0,0,0,1|2,0,0]=4 99 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O Z57127433 [0,1,0,0,0,1|2,0,0]=4 100 B12R1.43 NC(CC1=CC=NC=C1)C(=O)O Z1675026076 [0,1,0,0,0,1|1,0,0]=3 101 B12R1.43 NC(CC1=CN=CC=C1)C(=O)O Z3235906342 [0,1,0,0,0,1|1,0,0]=3 102 B12R1.43 NC(CC1=CN=CN=C1)C(=O)O Z3697694105 [0,1,0,0,0,1|0,0,1]=3 103 B12R1.43 NC(CC1=NC=CC=C1)C(=O)O Z3235025558 [0,1,0,0,0,1|1,0,1]=4 104 B12R1.43 NC(CC1=NC=CC=N1)C(=O)O Z2432992279 [0,1,0,0,0,1|1,0,1]=4 105 B12R1.43 NC(CC1=NC=NC=C1)C(=O)O Z2470415568 [0,1,0,0,0,1|0,0,1]=3 106 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O Z756430566 [0,1,0,0,0,1|2,0,0]=4 107 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O Z933646062 [0,1,0,0,0,1|2,0,0]=4 108 B12R1.104 CN1C=C(C=N1)CC(N)C(=O)O Z1259335776 [0,2,0,0,0,0|2,0,0]=4 109 B12R1.104 CN1C=NC(=C1)C[C@H](N)C(=O)O Z3005524545 [0,2,0,0,0,0|0,0,2]=4 110 B12R1.104 NC(CC1=CSC(=C1)Cl)C(=O)O Z3464487109 [0,2,0,0,0,0|2,0,0]=4 111 B12R1.104 NC1=NC(=CS1)CC(N)C(=O)O Z3482741151 [0,2,0,0,0,0|1,0,1]=4 112 B12R1.104 N[C@@H](CC1=CNC(=N1)S)C(=O)O Z1198148773 [0,2,0,0,0,0|0,0,2]=4 113 B12R1.104 N[C@H](CC1=CNC(=N1)S)C(=O)O Z1198234492 [0,2,0,0,0,0|0,0,2]=4 114 B12R1.145 CC1=C(NC=N1)CC(O)C(=O)O Z4137163794 [0,2,0,0,0,0|1,0,0]=3 115 B12R1.145 CC1=NON=C1CC(N)C(=O)O Z823287428 [0,2,0,0,0,0|1,0,1]=4 116 B12R1.145 CN1C=NN=C1CC(N)C(=O)N Z3927297840 [0,2,0,0,0,0|1,0,0]=3 117 B12R1.145 CN1N=CC=C1CC(N)C(=O)O Z3681679050 [0,2,0,0,0,0|2,0,0]=4 118 B12R1.145 CN1N=CN=C1CC(N)C(=O)O Z3824528863 [0,2,0,0,0,0|1,0,1]=4 119 B12R1.145 NC(CC1=C(SC=C1)Cl)C(=O)O Z3337480266 [0,2,0,0,0,0|2,0,0]=4 120 B12R1.1373 CC(C)(CC1=CN=NN1)C(=O)O Z3070476207 [0,2,0,0,0,0|2,0,0]=4 121 B12R1.1373 CC(N)(CN1C=NC=N1)C(=O)O Z1683068100 [0,2,0,0,0,0|1,0,1]=4 122 B10R2.7 C1=NC2=C(N1)CCCC2 Z1198155272 [1,0,0,1,0,0|1,0,1]=4 123 B10R2.7 C1=NC2=C(N1)CCNC2 Z2168541835 [1,0,0,1,0,0|2,0,0]=4 124 B10R2.7 C1=NC2=C(N1)CCOC2 Z1255453307 [1,0,0,1,0,0|2,0,0]=4 125 B10R2.7 C1=NC=C2N1CCCC2 Z1255357477 [1,0,0,1,0,0|1,0,1]=4 126 B10R2.32 O=C1CCC2=C1C=CS2 Z57085550 [1,0,0,1,0,0|2,0,0]=4 127 B10R2.32 O=C1CCC2=CNC=C12 Z1198165845 [1,0,0,1,0,0|1,0,1]=4 128 B10R2.32 O=C1CCN2C1=NC=C2 Z1216843610 [1,0,0,1,0,0|2,0,0]=4 129 B12R2.82 NC1CCC2=C(C1=O)C=CS2 Z2238508620 [0,0,0,1,0,1|2,0,0]=4 130 B12R2.18 NC1CC2=C(C1=O)C=CC=C2 Z1551475987 [0,0,0,1,0,1|2,0,0]=4 131 B12R2.252 O=C(O)C1CC2=NN=CN2C1 Z3500234709 [0,1,0,1,0,0|2,0,0]=4 132 B12R2.1354 O=C(O)C1CC1C2=NN=CN2 Z1623864214 [0,1,0,1,0,0|2,0,0]=4 133 B8R1.7 CC(N)C1=CC=CN1 Z1198171808 [1,0,0,0,1,0|1,0,1]=4 134 B8R1.7 NC(=O)C1=CC=CN1 Z135897752 [1,0,0,0,1,0|1,0,1]=4 135 B8R1.7 NC(=O)C1=CN=CO1 Z1198164353 [1,0,0,0,1,0|1,0,1]=4 136 B8R1.7 NC(=O)C1=CN=CS1 Z741560256 [1,0,0,0,1,0|1,0,1]=4 137 B8R1.7 O=C(O)C1=CN=CN1 Z993967082 [1,0,0,0,1,0|1,0,1]=4 138 B10R1.17 O=CCCC1=CC=CC=C1 Z87002472 [1,0,0,0,0,1|2,0,0]=4 139 B10R1.17 O=CCCC1=CC=NC=C1 Z1070006438 [1,0,0,0,0,1|1,0,0]=3 140 B10R1.17 O=CCCC1=CN=CC=C1 Z1198276578 [1,0,0,0,0,1|1,0,0]=3 141 B10R1.17 O=CCCC1=NC=CC=C1 Z1079158816 [1,0,0,0,0,1|1,0,1]=4 142 B10R1.18 CC(N)CC1=CC=NC=C1 Z285143992 [1,0,0,0,0,1|1,0,1]=4 143 B10R1.18 NC(=O)CC1=CC=NC=C1 Z234895093 [1,0,0,0,0,1|1,0,1]=4 144 B10R1.18 NC(=O)CC1=CN=CN=C1 Z1203583458 [1,0,0,0,0,1|0,0,2]=4