0 B10R1.17 C1=CC(=CN=C1)CCCO PI-33814 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.17 C1=CC=C(C=C1)C#CCO PI-48957 [0,0,0,0,0,0|2,0,2]=4 2 B10R1.17 C1=CC=C(C=C1)CN=C=S PI-28698 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.17 C1=CC=C(C=C1)COCCl PI-28438 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.17 C1=CC=C(C=C1)NNC=O PI-29787 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.17 C1=CC=C(C=C1)OCCBr PI-31495 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.17 C1=CC=C(C=C1)OCCCl PI-12172 [0,0,0,0,0,0|3,0,0]=3 7 B10R1.17 C1=CC=C(C=C1)OCCN PI-12173 [0,0,0,0,0,0|3,0,0]=3 8 B10R1.17 C1=CC=C(C=C1)\C=C\CBr PI-46926 [0,0,0,0,0,0|2,0,2]=4 9 B10R1.17 C=CCOc1ccccc1 PI-36466 [0,0,0,0,0,0|2,0,1]=3 10 B10R1.17 CCCCC1=CC=CC=N1 PI-13327 [0,0,0,0,0,0|2,0,0]=2 11 B10R1.17 CCCC[N+]1=CC=CC=C1 PI-13343 [0,0,0,0,0,0|2,0,0]=2 12 B10R1.17 CCCC[N+]1=CC=CC=C1 PI-13349 [0,0,0,0,0,0|2,0,0]=2 13 B10R1.17 CCCC[N+]1=CC=CC=C1 PI-45700 [0,0,0,0,0,0|2,0,0]=2 14 B10R1.17 CCCC[N+]1=CC=CC=C1 PI-45703 [0,0,0,0,0,0|2,0,0]=2 15 B10R1.17 CCCSC1=CC=CC=C1 PI-19961 [0,0,0,0,0,0|2,0,0]=2 16 B10R1.17 CNCCC1=CC=CC=N1 PI-13780 [0,0,0,0,0,0|1,0,0]=1 17 B10R1.17 CNCCC1=CC=CC=N1 PI-13781 [0,0,0,0,0,0|1,0,0]=1 18 B10R1.17 CNCCc1ccncc1 PI-12002 [0,0,0,0,0,0|1,0,0]=1 19 B10R1.17 ClCCCc1ccccc1 PI-33374 [0,0,0,0,0,0|2,0,0]=2 20 B10R1.17 ClCSCc1ccccc1 PI-19537 [0,0,0,0,0,0|3,0,0]=3 21 B10R1.17 N#CSCc1ccccc1 PI-32979 [0,0,0,0,0,0|3,0,0]=3 22 B10R1.17 N#C\C=C\c1ccccc1 PI-12934 [0,0,0,0,0,0|2,0,2]=4 23 B10R1.17 NCCCc1ccccc1 PI-11351 [0,0,0,0,0,0|2,0,0]=2 24 B10R1.17 O=CC#Cc1ccccc1 PI-33868 [0,0,0,0,0,0|2,0,2]=4 25 B10R1.17 OCCCc1ccccn1 PI-33813 [0,0,0,0,0,0|3,0,0]=3 26 B10R1.17 OCCCc1ccncc1 PI-31736 [0,0,0,0,0,0|3,0,0]=3 27 B10R1.17 [NH-]=[N+]=NCc1ccccc1 PI-14174 [0,0,0,0,0,0|2,0,1]=3 28 B9R1.8 BrC#Cc1ccccc1 PI-38808 [1,0,0,0,0,0|1,0,2]=4 29 B9R1.8 C1=CC(=CN=C1)CCO PI-20772 [1,0,0,0,0,0|2,0,0]=3 30 B9R1.8 C1=CC=C(C=C1)C=CBr PI-12915 [1,0,0,0,0,0|1,0,2]=4 31 B9R1.8 C1=CC=C(C=C1)CCS PI-48520 [1,0,0,0,0,0|1,0,0]=2 32 B9R1.8 C1=CC=C(C=C1)CNN PI-12194 [1,0,0,0,0,0|1,0,0]=2 33 B9R1.8 C1=CC=C(C=C1)CNN PI-12195 [1,0,0,0,0,0|1,0,0]=2 34 B9R1.8 C1=CC=C(C=C1)CON PI-48767 [1,0,0,0,0,0|1,0,0]=2 35 B9R1.8 C1=CC=NC(=C1)CCN PI-33890 [1,0,0,0,0,0|1,0,0]=2 36 B9R1.8 C1=CC=[N+](C=C1)CC#N PI-30212 [1,0,0,0,0,0|1,0,2]=4 37 B9R1.8 C1=CN=C(C=N1)CCS PI-48496 [1,0,0,0,0,0|3,0,0]=4 38 B9R1.8 C=CCC1=CC=CC=C1 PI-36465 [1,0,0,0,0,0|0,0,2]=3 39 B9R1.8 CC#CC1=CC=CC=C1 PI-48954 [1,0,0,0,0,0|0,0,2]=3 40 B9R1.8 CCCC1=CC=CC=N1 PI-13326 [1,0,0,0,0,0|1,0,0]=2 41 B9R1.8 CCCC1=CC=NC=C1 PI-28052 [1,0,0,0,0,0|1,0,0]=2 42 B9R1.8 CCC[N+]1=CC=CC=C1 PI-13348 [1,0,0,0,0,0|1,0,0]=2 43 B9R1.8 CCOC1=CC=CC=N1 PI-16377 [1,0,0,0,0,0|2,0,0]=3 44 B9R1.8 CCOC1=CC=NC=C1 PI-16378 [1,0,0,0,0,0|2,0,0]=3 45 B9R1.8 CCOC1=NC=CN=C1 PI-11039 [1,0,0,0,0,0|3,0,0]=4 46 B9R1.8 CNCC1=CC=CN=C1 PI-46624 [1,0,0,0,0,0|1,0,0]=2 47 B9R1.8 COCC1=CC=CC=C1 PI-19695 [1,0,0,0,0,0|1,0,0]=2 48 B9R1.8 COCc1ccccn1 PI-38670 [1,0,0,0,0,0|2,0,0]=3 49 B9R1.8 C\C=C\C1=CC=CC=C1 PI-42685 [1,0,0,0,0,0|0,0,2]=3 50 B9R1.8 C\C=C\C1=CC=CC=C1 PI-46536 [1,0,0,0,0,0|0,0,2]=3 51 B9R1.8 N#CCc1ccccn1 PI-16690 [1,0,0,0,0,0|1,0,2]=4 52 B9R1.8 N#CCc1cccnc1 PI-32834 [1,0,0,0,0,0|1,0,2]=4 53 B9R1.8 N#CCc1ccncc1 PI-10376 [1,0,0,0,0,0|1,0,2]=4 54 B9R1.8 NCCc1cccnc1 PI-23439 [1,0,0,0,0,0|1,0,0]=2 55 B9R1.8 NCCc1ccncc1 PI-15907 [1,0,0,0,0,0|1,0,0]=2 56 B9R1.8 NOCc1ccccc1 PI-11329 [1,0,0,0,0,0|1,0,0]=2 57 B9R1.8 OCCC1=CC=NC=C1 PI-27680 [1,0,0,0,0,0|2,0,0]=3 58 B9R1.8 ONCC1=CC=CC=C1 PI-42266 [1,0,0,0,0,0|1,0,0]=2 59 B11R1.1 C#CCOc1ccc(cc1)N PI-38734 [0,1,0,0,0,0|2,0,1]=4 60 B11R1.1 C1=CC(=CC=C1CCC#N)Br PI-22541 [0,1,0,0,0,0|2,0,0]=3 61 B11R1.1 C1=CC(=CC=C1CCC=O)F PI-45774 [0,1,0,0,0,0|2,0,0]=3 62 B11R1.1 C1=CC(=CC=C1CCCO)Cl PI-20215 [0,1,0,0,0,0|2,0,0]=3 63 B11R1.1 C1=CC(=CC=C1CCCO)O PI-46961 [0,1,0,0,0,0|2,0,0]=3 64 B11R1.1 C1=CC(=CC=C1CN=C=S)Cl PI-23618 [0,1,0,0,0,0|3,0,0]=4 65 B11R1.1 C1=CC(=CC=C1CN=C=S)F PI-23493 [0,1,0,0,0,0|3,0,0]=4 66 B11R1.1 C1=CC(=CC=C1F)SCC#N PI-29273 [0,1,0,0,0,0|3,0,0]=4 67 B11R1.1 C1=CC(=CC=C1N)OCCCl PI-47269 [0,1,0,0,0,0|3,0,0]=4 68 B11R1.1 C1=CC(=CC=C1OCCO)Br PI-19473 [0,1,0,0,0,0|3,0,0]=4 69 B11R1.1 C1=CC(=CC=C1OCCO)Cl PI-19256 [0,1,0,0,0,0|3,0,0]=4 70 B11R1.1 C1=CC(=CC=C1SCC#N)Cl PI-30240 [0,1,0,0,0,0|3,0,0]=4 71 B11R1.1 C=CCOC1=CC=C(C=C1)Cl PI-30132 [0,1,0,0,0,0|2,0,1]=4 72 B11R1.1 CC1=CC=C(C=C1)CCC=C PI-50176 [0,1,0,0,0,0|1,0,1]=3 73 B11R1.1 CC1=CC=C(C=C1)CN=C=O PI-11439 [0,1,0,0,0,0|3,0,0]=4 74 B11R1.1 CC1=CC=C(C=C1)OCC#N PI-30497 [0,1,0,0,0,0|3,0,0]=4 75 B11R1.1 CCCCC1=CC=C(C=C1)C PI-19171 [0,1,0,0,0,0|1,0,0]=2 76 B11R1.1 CCCCC1=CC=C(C=C1)O PI-11971 [0,1,0,0,0,0|1,0,0]=2 77 B11R1.1 CCCC[N+]1=CC=C(C=C1)C PI-17144 [0,1,0,0,0,0|2,0,0]=3 78 B11R1.1 CCCCc1ccc(Br)cc1 PI-30595 [0,1,0,0,0,0|1,0,0]=2 79 B11R1.1 CCCCc1cnc(Cl)nc1 PI-36500 [0,1,0,0,0,0|3,0,0]=4 80 B11R1.1 CCCOC1=CC=C(C=C1)Br PI-30574 [0,1,0,0,0,0|2,0,0]=3 81 B11R1.1 CCCOc1ccc(cc1)O PI-16211 [0,1,0,0,0,0|2,0,0]=3 82 B11R1.1 CCOCC1=CN=C(C=C1)N PI-44053 [0,1,0,0,0,0|3,0,0]=4 83 B11R1.1 CNCCC1=CC=C(C=C1)O PI-43105 [0,1,0,0,0,0|0,0,0]=1 84 B11R1.1 COCCc1ccc(O)cc1 PI-12149 [0,1,0,0,0,0|1,0,0]=2 85 B11R1.1 ClCCOc1ccc(cc1)Cl PI-13022 [0,1,0,0,0,0|3,0,0]=4 86 B11R1.1 N#CCOc1ccc(F)cc1 PI-23816 [0,1,0,0,0,0|3,0,0]=4 87 B11R1.1 N#CCOc1ccc(cc1)Cl PI-30527 [0,1,0,0,0,0|3,0,0]=4 88 B11R1.1 O=C=NCc1ccc(cc1)F PI-19104 [0,1,0,0,0,0|3,0,0]=4 89 B11R1.1 OC1=CC=C(CCC#N)C=C1 PI-11502 [0,1,0,0,0,0|2,0,0]=3 90 B11R1.1 OCCCc1ccc(cc1)Br PI-39007 [0,1,0,0,0,0|2,0,0]=3 91 B11R1.1 [C-]#[N+]CCc1ccc(Br)cc1 PI-22265 [0,1,0,0,0,0|0,0,2]=3 92 B11R1.1 [C-]#[N+]CCc1ccc(F)cc1 PI-23814 [0,1,0,0,0,0|0,0,2]=3 93 B11R1.16 C1=CC=C(C=C1)C(CCO)N PI-30207 [0,1,0,0,0,0|2,0,0]=3 94 B11R1.16 C1=CC=C(C=C1)C(CCO)N PI-30952 [0,1,0,0,0,0|2,0,0]=3 95 B11R1.16 C1=CC=C(C=C1)C(CCO)N PI-45013 [0,1,0,0,0,0|2,0,0]=3 96 B11R1.16 C1=CN=CC=C1[C@H](CCO)O PI-50215 [0,1,0,0,0,0|3,0,0]=4 97 B11R1.16 CCCC(C1=CC=CC=C1)O PI-19327 [0,1,0,0,0,0|1,0,0]=2 98 B11R1.16 CCCC(C1=CC=CC=C1)O PI-19763 [0,1,0,0,0,0|1,0,0]=2 99 B11R1.16 CCOC(=N)C1=CC=CC=C1 PI-46544 [0,1,0,0,0,0|2,0,1]=4 100 B11R1.16 CNOC(=O)C1=CC=CC=C1 PI-46922 [0,1,0,0,0,0|1,0,1]=3 101 B11R1.16 COCC(=O)c1ccccc1 PI-11856 [0,1,0,0,0,0|1,0,1]=3 102 B11R1.16 ClCCC(=O)c1ccccc1 PI-11246 [0,1,0,0,0,0|2,0,1]=4 103 B11R1.16 ClCC[C@@H](c1ccccc1)O PI-12073 [0,1,0,0,0,0|2,0,0]=3 104 B11R1.16 ClCC[C@H](c1ccccc1)O PI-12074 [0,1,0,0,0,0|2,0,0]=3 105 B11R1.16 N#CCC(=O)c1ccccc1 PI-14837 [0,1,0,0,0,0|2,0,1]=4 106 B11R1.17 C1=CC=C(C(=C1)CN=C=O)F PI-26108 [0,1,0,0,0,0|3,0,0]=4 107 B11R1.17 C1=CC=C(C(=C1)CN=C=S)Cl PI-23616 [0,1,0,0,0,0|3,0,0]=4 108 B11R1.17 C1=CC=C(C(=C1)CN=C=S)F PI-23491 [0,1,0,0,0,0|3,0,0]=4 109 B11R1.17 CC1=CC=CC=C1CN=C=O PI-11437 [0,1,0,0,0,0|3,0,0]=4 110 B11R1.17 OCCSc1ccccc1Br PI-22561 [0,1,0,0,0,0|3,0,0]=4 111 B11R1.17 [C-]#[N+]CCc1ccccc1F PI-23812 [0,1,0,0,0,0|0,0,2]=3 112 B11R1.24 C1=CC(=CC(=C1)Cl)CN=C=S PI-23617 [0,1,0,0,0,0|3,0,0]=4 113 B11R1.24 C1=CC(=CC(=C1)F)CN=C=S PI-23492 [0,1,0,0,0,0|3,0,0]=4 114 B11R1.24 CC1=CC(=CC=C1)CN=C=O PI-11438 [0,1,0,0,0,0|3,0,0]=4 115 B11R1.24 COCOC1=CC(=CC=C1)Br PI-43270 [0,1,0,0,0,0|2,0,0]=3 116 B11R1.24 N#CCCc1cccc(c1)Br PI-22540 [0,1,0,0,0,0|2,0,0]=3 117 B11R1.24 O=C=NCc1cccc(c1)F PI-26032 [0,1,0,0,0,0|3,0,0]=4 118 B11R1.24 OCCSc1cccc(C)c1 PI-24821 [0,1,0,0,0,0|3,0,0]=4 119 B11R1.28 C1=CC=C(C=C1)CCCCBr PI-13248 [0,1,0,0,0,0|1,0,0]=2 120 B11R1.28 C1=CC=C(C=C1)CCCCO PI-12011 [0,1,0,0,0,0|1,0,0]=2 121 B11R1.28 C1=CC=C(C=C1)COCCCl PI-19195 [0,1,0,0,0,0|2,0,0]=3 122 B11R1.28 C1=CC=C(C=C1)NCCCO PI-46938 [0,1,0,0,0,0|2,0,0]=3 123 B11R1.28 C1=CC=C(C=C1)OCCCBr PI-32239 [0,1,0,0,0,0|2,0,0]=3 124 B11R1.28 C1=CC=NC(=C1)CNCCO PI-34035 [0,1,0,0,0,0|3,0,0]=4 125 B11R1.28 C1=CN=CC=C1CCCCCl PI-33973 [0,1,0,0,0,0|2,0,0]=3 126 B11R1.28 CCCCCC1=CC=CC=C1 PI-12353 [0,1,0,0,0,0|1,0,0]=2 127 B11R1.28 CCCCCC1=CC=CC=N1 PI-13331 [0,1,0,0,0,0|2,0,0]=3 128 B11R1.28 CCOCCC1=CC=CC=N1 PI-19391 [0,1,0,0,0,0|2,0,0]=3 129 B11R1.28 NCCOCc1ccccc1 PI-36880 [0,1,0,0,0,0|2,0,0]=3 130 B11R1.28 OCCOCc1ccccc1 PI-24526 [0,1,0,0,0,0|2,0,0]=3 131 B11R1.28 OCCSCc1ccccc1 PI-20759 [0,1,0,0,0,0|2,0,0]=3 132 B11R1.40 C1=CC=C(C=C1)CC(=O)NN PI-30983 [0,1,0,0,0,0|1,0,1]=3 133 B11R1.40 C1=CC=C(C=C1)CC(CN)N PI-19951 [0,1,0,0,0,0|2,0,0]=3 134 B11R1.40 C1=CC=C(C=C1)NC(=S)NN PI-29671 [0,1,0,0,0,0|2,0,1]=4 135 B11R1.40 CCC(=O)CC1=CC=CC=C1 PI-47129 [0,1,0,0,0,0|1,0,1]=3 136 B11R1.40 CNC(=S)Nc1ccccc1 PI-24288 [0,1,0,0,0,0|1,0,1]=3 137 B11R1.40 CNC(=S)Nc1ccccc1 PI-30591 [0,1,0,0,0,0|1,0,1]=3 138 B11R1.40 COC(=O)CC1=CC=CC=N1 PI-48279 [0,1,0,0,0,0|2,0,1]=4 139 B11R1.40 OC[C@@H](Cc1ccccc1)N PI-16474 [0,1,0,0,0,0|2,0,0]=3 140 B11R1.40 OC[C@H](Cc1ccccc1)N PI-16635 [0,1,0,0,0,0|2,0,0]=3 141 B11R1.91 C1=CC=C(C=C1)CCC(=O)Cl PI-11944 [0,1,0,0,0,0|2,0,0]=3 142 B11R1.91 C1=CC=C(C=C1)NCC(=O)O PI-14870 [0,1,0,0,0,0|3,0,0]=4 143 B11R1.91 C1=CC=C(C=C1)OCC(=O)O PI-32615 [0,1,0,0,0,0|3,0,0]=4 144 B11R1.91 C1=CC=C(C=C1)OCC(=O)[O-] PI-50538 [0,1,0,0,0,0|3,0,0]=4 145 B11R1.91 CC(=NNC1=CC=CC=C1)C PI-44567 [0,1,0,0,0,0|3,0,0]=4 146 B11R1.91 CC(=O)NNc1ccccc1 PI-32317 [0,1,0,0,0,0|3,0,0]=4 147 B11R1.91 CC(C)N=CC1=CC=CC=C1 PI-19838 [0,1,0,0,0,0|2,0,1]=4 148 B11R1.91 CC(CCC1=CC=CC=C1)N PI-33450 [0,1,0,0,0,0|1,0,0]=2 149 B11R1.91 CN(C)N=CC1=CC=CC=C1 PI-26056 [0,1,0,0,0,0|1,0,1]=3 150 B11R1.91 C[C@@H](CCC1=CC=CC=C1)O PI-49833 [0,1,0,0,0,0|1,0,0]=2 151 B11R1.91 C[C@H](CCC1=CC=CC=C1)O PI-49832 [0,1,0,0,0,0|1,0,0]=2 152 B11R1.91 NC(=S)NCc1ccccc1 PI-20347 [0,1,0,0,0,0|3,0,0]=4 153 B11R1.91 OB(O)CCc1ccccc1 PI-25460 [0,1,0,0,0,0|2,0,0]=3 154 B11R1.91 [O-]C(=O)CNc1ccccc1 PI-17946 [0,1,0,0,0,0|3,0,0]=4 155 B11R1.91 [O-][N+](=O)CCc1ccccc1 PI-35182 [0,1,0,0,0,0|1,0,1]=3 156 B9R0.45 CCCC\C=C\C=C\C=O PI-48531 [0,0,1,0,0,0|2,0,0]=3 157 B11R2.1 B1(C2=CC=CC=C2CO1)O PI-25687 [0,0,0,1,0,0|3,0,0]=4 158 B11R2.1 C1=CC=C2C(=C1)C=NN2N PI-44096 [0,0,0,1,0,0|2,0,1]=4 159 B11R2.1 C1C(=O)C2=CC=CC=C2O1 PI-27871 [0,0,0,1,0,0|3,0,0]=4 160 B11R2.1 C1C(=O)C2=CC=CC=C2O1 PI-33947 [0,0,0,1,0,0|3,0,0]=4 161 B11R2.1 C1CC(=O)C2=CC=CC=C21 PI-12356 [0,0,0,1,0,0|2,0,0]=3 162 B11R2.1 C1CC2=CC=CC=C2C1N PI-41308 [0,0,0,1,0,0|2,0,0]=3 163 B11R2.1 CC1=CSC2=CC=CC=C12 PI-26140 [0,0,0,1,0,0|2,0,1]=4 164 B11R2.1 CN1C2=CC=CC=C2N=N1 PI-17166 [0,0,0,1,0,0|2,0,0]=3 165 B11R2.1 CN1C=NC2=CC=CC=C21 PI-11703 [0,0,0,1,0,0|1,0,1]=3 166 B11R2.1 Cc1c[nH]c2c1cccc2 PI-10761 [0,0,0,1,0,0|2,0,1]=4 167 B11R2.1 Cn1ccc2ccccc12 PI-11080 [0,0,0,1,0,0|0,0,2]=3 168 B11R2.1 NC1CCC2=C1C=CC=C2 PI-40451 [0,0,0,1,0,0|2,0,0]=3 169 B11R2.1 NC1CCc2ccccc12 PI-24340 [0,0,0,1,0,0|2,0,0]=3 170 B11R2.1 N[C@@H]1CCc2ccccc12 PI-17002 [0,0,0,1,0,0|2,0,0]=3 171 B11R2.1 O=C1C2=CC=CC=C2SC1 PI-42644 [0,0,0,1,0,0|3,0,0]=4 172 B11R2.1 O=C1OCc2c1cccc2 PI-33738 [0,0,0,1,0,0|3,0,0]=4 173 B11R2.1 On1nnc2ccccc12 PI-15275 [0,0,0,1,0,0|3,0,0]=4 174 B11R2.1 On1nnc2ccccc12 PI-15359 [0,0,0,1,0,0|3,0,0]=4 175 B11R2.4 N[C@H]1C[C@@H]1c2ccccc2 PI-25120 [0,0,0,1,0,0|2,0,0]=3 176 B11R2.20 C12=CN=CN=C1CCCC2 PI-46709 [0,0,0,1,0,0|3,0,0]=4 177 B11R2.20 C1=Cc2c(CC1)cccc2 PI-25582 [0,0,0,1,0,0|1,0,1]=3 178 B11R2.20 C1CC2=C(C=CC=N2)NC1 PI-47349 [0,0,0,1,0,0|3,0,0]=4 179 B11R2.20 C1CC2=C(C=CN=C2)NC1 PI-47348 [0,0,0,1,0,0|3,0,0]=4 180 B11R2.20 C1CCC2=NC=CN=C2C1 PI-48515 [0,0,0,1,0,0|3,0,0]=4 181 B11R2.20 C1CCc2c(C1)cncc2 PI-38323 [0,0,0,1,0,0|2,0,0]=3 182 B11R2.20 C1CCc2ccccc2N1 PI-32264 [0,0,0,1,0,0|2,0,0]=3 183 B11R2.20 C1CCc2cccnc2C1 PI-10313 [0,0,0,1,0,0|2,0,0]=3 184 B11R2.20 C1CN=CC2=CC=CC=C21 PI-17411 [0,0,0,1,0,0|0,0,2]=3 185 B11R2.20 C1CNCC2=CC=CC=C21 PI-17083 [0,0,0,1,0,0|0,0,0]=1 186 B11R2.20 C1CNCC2=CC=CC=C21 PI-38027 [0,0,0,1,0,0|0,0,0]=1 187 B11R2.20 C1COc2ccccc2O1 PI-31359 [0,0,0,1,0,0|3,0,0]=4 188 B11R2.238 C1CC1Sc2ccccc2 PI-25166 [0,0,0,1,0,0|2,0,0]=3 189 B11R2.239 C1C(CO1)C2=CC=CC=C2 PI-36427 [0,0,0,1,0,0|1,0,0]=2 190 B11R2.988 OCC1C2=CC=CC=C2C1 PI-40936 [0,0,0,1,0,0|2,0,0]=3 191 B9R1.12 CCCCC1=CC=CS1 PI-44597 [0,0,0,0,1,0|2,0,0]=3 192 B9R1.12 CCCCC1=CSC=C1 PI-36456 [0,0,0,0,1,0|2,0,0]=3 193 B9R1.12 CCCCC1=NC=CN1 PI-31818 [0,0,0,0,1,0|3,0,0]=4 194 B8R1.2 BrCC1=CC=CC=C1 PI-36476 [2,0,0,0,0,0|1,0,0]=3 195 B8R1.2 C#CC1=CC=CC=C1 PI-48958 [2,0,0,0,0,0|0,0,2]=4 196 B8R1.2 C1=C(N=CC=N1)CN PI-42651 [2,0,0,0,0,0|2,0,0]=4 197 B8R1.2 C1=CC(=CN=C1)CCl PI-16717 [2,0,0,0,0,0|2,0,0]=4 198 B8R1.2 C1=CC(=CN=C1)NN PI-39291 [2,0,0,0,0,0|2,0,0]=4 199 B8R1.2 C1=CC=NC(=C1)NN PI-46991 [2,0,0,0,0,0|2,0,0]=4 200 B8R1.2 C1=CC=NC(=C1)NN PI-50652 [2,0,0,0,0,0|2,0,0]=4 201 B8R1.2 C1=CN=CC=C1CCl PI-31734 [2,0,0,0,0,0|2,0,0]=4 202 B8R1.2 C1=CN=CC=C1CO PI-16744 [2,0,0,0,0,0|2,0,0]=4 203 B8R1.2 CCC1=CC=CC=N1 PI-49466 [2,0,0,0,0,0|1,0,0]=3 204 B8R1.2 CCC1=NC=CN=C1 PI-11040 [2,0,0,0,0,0|2,0,0]=4 205 B8R1.2 CC[N+]1=CC=CC=C1 PI-13342 [2,0,0,0,0,0|1,0,0]=3 206 B8R1.2 CC[N+]1=CC=CC=C1 PI-13347 [2,0,0,0,0,0|1,0,0]=3 207 B8R1.2 CNC1=CC=CC=N1 PI-11864 [2,0,0,0,0,0|1,0,0]=3 208 B8R1.2 CNC1=CC=NC=C1 PI-23603 [2,0,0,0,0,0|1,0,0]=3 209 B8R1.2 CNC1=CN=CC=C1 PI-11328 [2,0,0,0,0,0|1,0,0]=3 210 B8R1.2 COC1=CC=CC=N1 PI-33887 [2,0,0,0,0,0|2,0,0]=4 211 B8R1.2 COC1=CC=NC=C1 PI-10034 [2,0,0,0,0,0|2,0,0]=4 212 B8R1.2 COC1=CN=CC=C1 PI-33889 [2,0,0,0,0,0|2,0,0]=4 213 B8R1.2 CSC1=CC=CC=N1 PI-16757 [2,0,0,0,0,0|2,0,0]=4 214 B8R1.2 ClCC1=NC=CC=C1 PI-11827 [2,0,0,0,0,0|2,0,0]=4 215 B8R1.2 ClCc1ccccn1 PI-16716 [2,0,0,0,0,0|2,0,0]=4 216 B8R1.2 NCC1=CC=CC=C1 PI-37209 [2,0,0,0,0,0|0,0,0]=2 217 B8R1.2 NCC1=CC=NC=C1 PI-41875 [2,0,0,0,0,0|1,0,0]=3 218 B8R1.2 NCc1ccccn1 PI-33905 [2,0,0,0,0,0|1,0,0]=3 219 B8R1.2 NCc1cccnc1 PI-15236 [2,0,0,0,0,0|1,0,0]=3 220 B8R1.2 NCc1ccncc1 PI-31790 [2,0,0,0,0,0|1,0,0]=3 221 B8R1.2 NCc1ncccn1 PI-34855 [2,0,0,0,0,0|2,0,0]=4 222 B8R1.2 NCc1ncccn1 PI-34856 [2,0,0,0,0,0|2,0,0]=4 223 B8R1.2 NNC1=CC=CC=C1 PI-41551 [2,0,0,0,0,0|1,0,0]=3 224 B8R1.2 OCC1=CC=CN=C1 PI-11019 [2,0,0,0,0,0|2,0,0]=4 225 B8R1.2 OCC1=NC=CC=C1 PI-16261 [2,0,0,0,0,0|2,0,0]=4 226 B8R1.2 OCc1ccncc1 PI-16686 [2,0,0,0,0,0|2,0,0]=4 227 B8R1.2 ONc1ccccc1 PI-38448 [2,0,0,0,0,0|1,0,0]=3 228 B8R1.2 [C-]#CC1=CC=CC=C1 PI-48435 [2,0,0,0,0,0|0,0,2]=4 229 B10R0.71 CCCCCC=CC=CC=O PI-48529 [0,1,1,0,0,0|1,0,1]=4 230 B10R1.1 BrCCc1ccc(Br)cc1 PI-19204 [1,1,0,0,0,0|1,0,0]=3 231 B10R1.1 BrCCc1ccc(C)cc1 PI-21425 [1,1,0,0,0,0|1,0,0]=3 232 B10R1.1 BrCCc1ccc(Cl)cc1 PI-21415 [1,1,0,0,0,0|1,0,0]=3 233 B10R1.1 BrCCc1ccc(F)cc1 PI-21419 [1,1,0,0,0,0|1,0,0]=3 234 B10R1.1 BrCCc1ccc(cc1)O PI-19128 [1,1,0,0,0,0|1,0,0]=3 235 B10R1.1 C1=CC(=CC=C1CC#N)Br PI-14499 [1,1,0,0,0,0|0,0,2]=4 236 B10R1.1 C1=CC(=CC=C1CC#N)F PI-16868 [1,1,0,0,0,0|0,0,2]=4 237 B10R1.1 C1=CC(=CC=C1CC#N)N PI-30515 [1,1,0,0,0,0|0,0,2]=4 238 B10R1.1 C1=CC(=CC=C1CCCl)F PI-20050 [1,1,0,0,0,0|1,0,0]=3 239 B10R1.1 C1=CC(=CC=C1CCN)F PI-33070 [1,1,0,0,0,0|0,0,0]=2 240 B10R1.1 C1=CC(=CC=C1CCO)Br PI-44966 [1,1,0,0,0,0|1,0,0]=3 241 B10R1.1 C1=CC(=CC=C1CCO)Cl PI-46018 [1,1,0,0,0,0|1,0,0]=3 242 B10R1.1 C1=CC(=CC=C1CCO)N PI-10092 [1,1,0,0,0,0|1,0,0]=3 243 B10R1.1 C1=CC(=CC=C1CCO)O PI-29634 [1,1,0,0,0,0|1,0,0]=3 244 B10R1.1 CC1=CC=C(C=C1)SCCl PI-19470 [1,1,0,0,0,0|2,0,0]=4 245 B10R1.1 CCCC1=CC=C(C=C1)Br PI-16232 [1,1,0,0,0,0|0,0,0]=2 246 B10R1.1 CCCC1=CC=C(C=C1)I PI-19089 [1,1,0,0,0,0|0,0,0]=2 247 B10R1.1 CCCC1=CC=C(C=C1)O PI-16209 [1,1,0,0,0,0|0,0,0]=2 248 B10R1.1 CCCC1=CN=C(N=C1)Cl PI-20233 [1,1,0,0,0,0|2,0,0]=4 249 B10R1.1 CCOC1=CC=C(C=C1)Br PI-34197 [1,1,0,0,0,0|1,0,0]=3 250 B10R1.1 CCOC1=CC=C(C=C1)I PI-12223 [1,1,0,0,0,0|1,0,0]=3 251 B10R1.1 CCOC1=NC=C(C=C1)Br PI-23209 [1,1,0,0,0,0|2,0,0]=4 252 B10R1.1 CCOc1ccc(cc1)O PI-27806 [1,1,0,0,0,0|1,0,0]=3 253 B10R1.1 CCOc1ccc(cn1)N PI-33888 [1,1,0,0,0,0|2,0,0]=4 254 B10R1.1 CNCC1=CC=C(C=C1)N PI-30552 [1,1,0,0,0,0|0,0,0]=2 255 B10R1.1 FC1=CC=C(OCC)C=C1 PI-22032 [1,1,0,0,0,0|1,0,0]=3 256 B10R1.1 N#CCC1=CC=C(O)C=C1 PI-11988 [1,1,0,0,0,0|0,0,2]=4 257 B10R1.1 N#CCc1ccc(cc1)C PI-12004 [1,1,0,0,0,0|0,0,2]=4 258 B10R1.1 NCCC1=CC=C(Br)C=C1 PI-15694 [1,1,0,0,0,0|0,0,0]=2 259 B10R1.1 NCCc1ccc(Br)cc1 PI-22229 [1,1,0,0,0,0|0,0,0]=2 260 B10R1.1 NCCc1ccc(O)cc1 PI-16006 [1,1,0,0,0,0|0,0,0]=2 261 B10R1.1 NCCc1ccc(O)cc1 PI-16007 [1,1,0,0,0,0|0,0,0]=2 262 B10R1.1 NCCc1ccc(cc1)N PI-10153 [1,1,0,0,0,0|0,0,0]=2 263 B10R1.1 OCCc1ccc(F)cc1 PI-28804 [1,1,0,0,0,0|1,0,0]=3 264 B10R1.1 [C-]#[N+]CC1=CC=C(C=C1)Cl PI-23615 [1,1,0,0,0,0|0,0,2]=4 265 B10R1.4 BrCCc1ccccc1C PI-21423 [1,1,0,0,0,0|1,0,0]=3 266 B10R1.4 BrCCc1ccccc1Cl PI-21413 [1,1,0,0,0,0|1,0,0]=3 267 B10R1.4 BrCCc1ccccc1F PI-34239 [1,1,0,0,0,0|1,0,0]=3 268 B10R1.4 C1=CC=C(C(=C1)C=NN)O PI-27488 [1,1,0,0,0,0|1,0,1]=4 269 B10R1.4 C1=CC=C(C(=C1)CC#N)Br PI-22282 [1,1,0,0,0,0|0,0,2]=4 270 B10R1.4 C1=CC=C(C(=C1)CC#N)F PI-16866 [1,1,0,0,0,0|0,0,2]=4 271 B10R1.4 C1=CC=C(C(=C1)CCO)F PI-23810 [1,1,0,0,0,0|1,0,0]=3 272 B10R1.4 C1=CC=C(C(=C1)CNN)F PI-50605 [1,1,0,0,0,0|1,0,0]=3 273 B10R1.4 C=CCC1=CC=CC=C1O PI-46039 [1,1,0,0,0,0|0,0,2]=4 274 B10R1.4 CCNC1=CC=CC=C1F PI-22091 [1,1,0,0,0,0|1,0,0]=3 275 B10R1.4 CCOC1=CC=CC=C1F PI-23815 [1,1,0,0,0,0|1,0,0]=3 276 B10R1.4 CCOC1=CC=CC=C1N PI-30971 [1,1,0,0,0,0|1,0,0]=3 277 B10R1.4 CCOc1ccncc1N PI-33891 [1,1,0,0,0,0|2,0,0]=4 278 B10R1.4 N#CCc1ccccc1Cl PI-11829 [1,1,0,0,0,0|0,0,2]=4 279 B10R1.4 N#CCc1ccccc1N PI-16130 [1,1,0,0,0,0|0,0,2]=4 280 B10R1.4 NCCc1ccccc1Br PI-39292 [1,1,0,0,0,0|0,0,0]=2 281 B10R1.4 NCCc1ccccc1Cl PI-20209 [1,1,0,0,0,0|0,0,0]=2 282 B10R1.4 NCCc1ccccc1F PI-38584 [1,1,0,0,0,0|0,0,0]=2 283 B10R1.4 NOCc1ccccc1Cl PI-39246 [1,1,0,0,0,0|1,0,0]=3 284 B10R1.4 [C-]#[N+]Cc1ccccc1Cl PI-23174 [1,1,0,0,0,0|0,0,2]=4 285 B10R1.10 BrCCc1cccc(C)c1 PI-21424 [1,1,0,0,0,0|1,0,0]=3 286 B10R1.10 BrCCc1cccc(Cl)c1 PI-21414 [1,1,0,0,0,0|1,0,0]=3 287 B10R1.10 C1=CC(=CC(=C1)Br)CCN PI-48226 [1,1,0,0,0,0|0,0,0]=2 288 B10R1.10 C1=CC(=CC(=C1)F)CCBr PI-23811 [1,1,0,0,0,0|1,0,0]=3 289 B10R1.10 C1=CC(=CC(=C1)O)CCN PI-12399 [1,1,0,0,0,0|0,0,0]=2 290 B10R1.10 C1=CC(=CC(=C1)O)CCO PI-48194 [1,1,0,0,0,0|1,0,0]=3 291 B10R1.10 CCCC1=CC(=NC=C1)N PI-19769 [1,1,0,0,0,0|1,0,0]=3 292 B10R1.10 CCOC1=CC(=CC=C1)F PI-33067 [1,1,0,0,0,0|1,0,0]=3 293 B10R1.10 CCOC1=CC(=CC=C1)S PI-21359 [1,1,0,0,0,0|1,0,0]=3 294 B10R1.10 CCOC1=NC=CC(=C1)N PI-31798 [1,1,0,0,0,0|2,0,0]=4 295 B10R1.10 CCOc1cccc(c1)Br PI-38261 [1,1,0,0,0,0|1,0,0]=3 296 B10R1.10 N#CCc1cccc(Cl)c1 PI-11917 [1,1,0,0,0,0|0,0,2]=4 297 B10R1.10 N#CCc1cccc(F)c1 PI-16867 [1,1,0,0,0,0|0,0,2]=4 298 B10R1.10 N#CCc1cccc(c1)Br PI-11912 [1,1,0,0,0,0|0,0,2]=4 299 B10R1.10 NCCc1cccc(c1)F PI-33071 [1,1,0,0,0,0|0,0,0]=2 300 B10R1.10 OCCc1cccc(c1)Cl PI-38594 [1,1,0,0,0,0|1,0,0]=3 301 B10R1.10 [C-]#[N+]Cc1cccc(c1)Cl PI-23614 [1,1,0,0,0,0|0,0,2]=4 302 B10R1.15 C1=CC=C(C=C1)C(=O)NO PI-10934 [1,1,0,0,0,0|1,0,1]=4 303 B10R1.15 C1=CC=C(C=C1)C(C#N)O PI-38881 [1,1,0,0,0,0|0,0,2]=4 304 B10R1.15 C1=CC=C(C=C1)C(CCl)O PI-42549 [1,1,0,0,0,0|1,0,0]=3 305 B10R1.15 C1=CC=C(C=C1)C(CCl)O PI-42550 [1,1,0,0,0,0|1,0,0]=3 306 B10R1.15 C1=CC=C(C=C1)C(CN)O PI-30384 [1,1,0,0,0,0|0,0,0]=2 307 B10R1.15 C1=CC=C(C=C1)C(CO)O PI-19178 [1,1,0,0,0,0|1,0,0]=3 308 B10R1.15 CC(C1=CC=CC=C1)NC PI-26776 [1,1,0,0,0,0|0,0,0]=2 309 B10R1.15 CC(CN)C1=CC=CC=C1 PI-10356 [1,1,0,0,0,0|0,0,0]=2 310 B10R1.15 CCC(=O)c1ccncc1 PI-36821 [1,1,0,0,0,0|1,0,1]=4 311 B10R1.15 CCC(C1=CC=CC=C1)N PI-16663 [1,1,0,0,0,0|0,0,0]=2 312 B10R1.15 CCC(O)c1ccccc1 PI-31770 [1,1,0,0,0,0|0,0,0]=2 313 B10R1.15 CCN(C)C1=CC=CC=C1 PI-35465 [1,1,0,0,0,0|1,0,0]=3 314 B10R1.15 CCN(C1=CC=CC=C1)N PI-29822 [1,1,0,0,0,0|1,0,0]=3 315 B10R1.15 CC[C@@H](C1=CC=CC=C1)O PI-49816 [1,1,0,0,0,0|0,0,0]=2 316 B10R1.15 CC[C@@H](c1ccccc1)N PI-16662 [1,1,0,0,0,0|0,0,0]=2 317 B10R1.15 CC[C@H](C1=CC=CC=C1)O PI-49815 [1,1,0,0,0,0|0,0,0]=2 318 B10R1.15 CNC(=O)c1ccccc1 PI-29765 [1,1,0,0,0,0|0,0,1]=3 319 B10R1.15 COC(=N)C1=CC=CC=C1 PI-19741 [1,1,0,0,0,0|1,0,1]=4 320 B10R1.15 C[C@H](CN)c1ccccc1 PI-10355 [1,1,0,0,0,0|0,0,0]=2 321 B10R1.15 NCC(=O)c1ccccc1 PI-29691 [1,1,0,0,0,0|0,0,1]=3 322 B10R1.15 NCC(O)c1ccccc1 PI-17268 [1,1,0,0,0,0|0,0,0]=2 323 B10R1.15 NC[C@H](c1ccccc1)O PI-30721 [1,1,0,0,0,0|0,0,0]=2 324 B10R1.15 OC(C1=CC=CC=C1)CO PI-39570 [1,1,0,0,0,0|1,0,0]=3 325 B10R1.15 OCC(=O)c1ccccc1 PI-11851 [1,1,0,0,0,0|1,0,1]=4 326 B10R1.15 OC[C@@H](N)c1ccccc1 PI-16634 [1,1,0,0,0,0|1,0,0]=3 327 B10R1.15 OC[C@@H](c1ccccc1)N PI-16633 [1,1,0,0,0,0|1,0,0]=3 328 B10R1.15 OC[C@H](c1ccccc1)O PI-17035 [1,1,0,0,0,0|1,0,0]=3 329 B10R1.18 B(CC1=CC=CC=C1)(O)O PI-49945 [1,1,0,0,0,0|2,0,0]=4 330 B10R1.18 C1=CC=C(C=C1)N=C(N)N PI-11304 [1,1,0,0,0,0|1,0,1]=4 331 B10R1.18 C1=CC=C(C=C1)OC(=O)N PI-10948 [1,1,0,0,0,0|1,0,1]=4 332 B10R1.18 C1=CC=[N+](C=C1)CC(=O)N PI-15939 [1,1,0,0,0,0|1,0,1]=4 333 B10R1.18 CC(=CC1=CC=CC=C1)C PI-47118 [1,1,0,0,0,0|0,0,2]=4 334 B10R1.18 CC(=O)CC1=CC=NC=C1 PI-24530 [1,1,0,0,0,0|1,0,1]=4 335 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 PI-17935 [1,1,0,0,0,0|1,0,1]=4 336 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 PI-30609 [1,1,0,0,0,0|1,0,1]=4 337 B10R1.18 CC(C)NC1=CC=CC=C1 PI-11279 [1,1,0,0,0,0|1,0,0]=3 338 B10R1.18 CC(CC1=NC=CC=C1)=O PI-41787 [1,1,0,0,0,0|1,0,1]=4 339 B10R1.18 CC(Cc1ccccn1)C PI-13337 [1,1,0,0,0,0|1,0,0]=3 340 B10R1.18 NC(=Nc1ccccc1)N PI-20950 [1,1,0,0,0,0|1,0,1]=4 341 B10R1.16 CCCCC1=CC=C(S1)C PI-29060 [0,1,0,0,1,0|2,0,0]=4 342 B10R1.21 CCCCCC1=CC=CS1 PI-29622 [0,1,0,0,1,0|2,0,0]=4 343 B10R1.21 CCCCCC1=CSC=C1 PI-29036 [0,1,0,0,1,0|2,0,0]=4 344 B10R1.29 CCCCc1ccsc1Br PI-36457 [0,1,0,0,1,0|2,0,0]=4 345 B12R1.1 CC1=CC=C(C=C1)CCN=C=S PI-24090 [0,2,0,0,0,0|0,0,2]=4 346 B12R1.1 CCCCCC1=CC=C(C=C1)Br PI-16233 [0,2,0,0,0,0|1,0,0]=3 347 B12R1.1 CCCCCc1ccc(O)cc1 PI-16210 [0,2,0,0,0,0|1,0,0]=3 348 B12R1.1 CCCCOC1=CC=C(C=C1)N PI-22654 [0,2,0,0,0,0|1,0,0]=3 349 B12R1.1 CCCCOc1ccc(cc1)Br PI-36885 [0,2,0,0,0,0|1,0,0]=3 350 B12R1.1 CCCCOc1ccc(cc1)O PI-13016 [0,2,0,0,0,0|1,0,0]=3 351 B12R1.1 ClCCCOc1ccc(F)cc1 PI-16895 [0,2,0,0,0,0|2,0,0]=4 352 B12R1.1 OCCNCc1ccc(cc1)F PI-10001 [0,2,0,0,0,0|2,0,0]=4 353 B12R1.16 C1=CC(=CC=C1[C@@H](CCO)N)F PI-48264 [0,2,0,0,0,0|2,0,0]=4 354 B12R1.16 CCCC(=O)C1=CC=C(C=C1)F PI-26766 [0,2,0,0,0,0|1,0,1]=4 355 B12R1.16 CCCC(=O)C1=CC=C(C=C1)O PI-31007 [0,2,0,0,0,0|1,0,1]=4 356 B12R1.16 CNCC(C1=CC=C(C=C1)O)O PI-41193 [0,2,0,0,0,0|0,0,0]=2 357 B12R1.16 CNCC(O)c1ccc(O)cc1 PI-13894 [0,2,0,0,0,0|0,0,0]=2 358 B12R1.16 COCC(=O)C1=CC=C(C=C1)O PI-44114 [0,2,0,0,0,0|1,0,1]=4 359 B12R1.16 OC1=CC=C(C(O)CNC)C=C1 PI-10494 [0,2,0,0,0,0|0,0,0]=2 360 B12R1.21 C1=CC(=CC=C1CCC(=O)O)Br PI-22539 [0,2,0,0,0,0|2,0,0]=4 361 B12R1.21 C1=CC(=CC=C1CCC(=O)O)F PI-16999 [0,2,0,0,0,0|2,0,0]=4 362 B12R1.21 CC(=O)CSC1=CC=C(C=C1)Cl PI-30390 [0,2,0,0,0,0|2,0,0]=4 363 B12R1.21 CC(CCC1=CC=C(O)C=C1)=O PI-37298 [0,2,0,0,0,0|1,0,0]=3 364 B12R1.21 CN(C)CCC1=CC=C(C=C1)O PI-20840 [0,2,0,0,0,0|0,0,0]=2 365 B12R1.21 CN(C)CCC1=CC=C(C=C1)O PI-21785 [0,2,0,0,0,0|0,0,0]=2 366 B12R1.21 C[C@H](CCc1ccc(cc1)O)O PI-38464 [0,2,0,0,0,0|1,0,0]=3 367 B12R1.21 OC(=O)CCc1ccc(O)cc1 PI-11883 [0,2,0,0,0,0|2,0,0]=4 368 B12R1.21 OC(=O)CCc1ccc(cc1)C PI-12005 [0,2,0,0,0,0|2,0,0]=4 369 B12R1.21 OC(=O)CCc1ccc(cc1)Cl PI-11982 [0,2,0,0,0,0|2,0,0]=4 370 B12R1.49 C1=CC(=CC=C1CC(=O)NN)Cl PI-50326 [0,2,0,0,0,0|1,0,1]=4 371 B12R1.49 C1=CC(=CC=C1CC(=O)NN)F PI-50267 [0,2,0,0,0,0|1,0,1]=4 372 B12R1.49 C1=CC(=CC=C1CC(=O)NN)O PI-50261 [0,2,0,0,0,0|1,0,1]=4 373 B12R1.49 CC1=CC=C(C=C1)CC(=O)NN PI-50599 [0,2,0,0,0,0|1,0,1]=4 374 B12R1.49 COC(=O)CC1=CC=C(C=C1)Br PI-50433 [0,2,0,0,0,0|1,0,1]=4 375 B12R1.49 COC(=O)CC1=CC=C(C=C1)Cl PI-13010 [0,2,0,0,0,0|1,0,1]=4 376 B12R1.49 COC(=O)CC1=CC=C(C=C1)F PI-50441 [0,2,0,0,0,0|1,0,1]=4 377 B12R1.49 COC(=O)CC1=CC=C(C=C1)N PI-50506 [0,2,0,0,0,0|1,0,1]=4 378 B12R1.49 COC(=O)CC1=CC=C(C=C1)O PI-11994 [0,2,0,0,0,0|1,0,1]=4 379 B12R1.49 COC(=O)Cc1ccc(cc1)C PI-12770 [0,2,0,0,0,0|1,0,1]=4 380 B12R1.71 C1=CC(=CC=C1CCCBr)C#N PI-48396 [0,2,0,0,0,0|2,0,0]=4 381 B12R1.71 CCCCC1=CC=C(C=C1)C#C PI-30936 [0,2,0,0,0,0|1,0,0]=3 382 B12R1.71 CCCCC1=CC=C(C=C1)C#N PI-22884 [0,2,0,0,0,0|1,0,0]=3 383 B12R1.71 CCCCC1=CC=C(C=C1)C=O PI-27108 [0,2,0,0,0,0|1,0,0]=3 384 B12R1.71 CCCCC1=CC=C(C=C1)CN PI-30734 [0,2,0,0,0,0|1,0,0]=3 385 B12R1.71 CCCCC1=CC=C(C=C1)NN PI-22988 [0,2,0,0,0,0|1,0,0]=3 386 B12R1.71 COC1=CC=C(C=C1)CCCCl PI-19747 [0,2,0,0,0,0|2,0,0]=4 387 B12R1.71 O=CCCc1ccc(OC)cc1 PI-13196 [0,2,0,0,0,0|2,0,0]=4 388 B12R1.71 OCCCc1ccc(cc1)OC PI-40026 [0,2,0,0,0,0|2,0,0]=4 389 B12R1.385 CCCCC1=CC(=C(C=C1)I)C PI-19229 [0,2,0,0,0,0|1,0,0]=3 390 B12R1.385 CCCOC1=CC(=C(C=C1)N)N PI-15804 [0,2,0,0,0,0|2,0,0]=4 391 B12R1.385 CCCSC1=CC(=C(C=C1)N)N PI-32069 [0,2,0,0,0,0|2,0,0]=4 392 B12R1.17 C1=CC(=CC(=C1)Cl)[C@H](CCO)O PI-50214 [0,2,0,0,0,0|2,0,0]=4 393 B12R1.17 CNCC(=O)C1=CC(=CC=C1)O PI-44651 [0,2,0,0,0,0|0,0,1]=3 394 B12R1.17 CNCC(C1=CC(=CC=C1)O)O PI-33512 [0,2,0,0,0,0|0,0,0]=2 395 B12R1.17 CNCC(C1=CC(=CC=C1)O)O PI-41191 [0,2,0,0,0,0|0,0,0]=2 396 B12R1.17 CNC[C@@H](c1cccc(c1)O)O PI-33511 [0,2,0,0,0,0|0,0,0]=2 397 B12R1.30 CC(C1=CC=CC=C1)NCC=C PI-29529 [0,2,0,0,0,0|1,0,1]=4 398 B12R1.30 CCCCC(=O)C1=CC=CC=C1 PI-40215 [0,2,0,0,0,0|1,0,0]=3 399 B12R1.30 CCCCN(C1=CC=CC=C1)N PI-29775 [0,2,0,0,0,0|1,0,0]=3 400 B12R1.30 CCCOC(=O)C1=CC=CC=C1 PI-50456 [0,2,0,0,0,0|1,0,1]=4 401 B12R1.30 CN(CCC#N)C1=CC=CC=C1 PI-25978 [0,2,0,0,0,0|2,0,0]=4 402 B12R1.30 CNCCC(C1=CC=CC=C1)Cl PI-22762 [0,2,0,0,0,0|0,0,0]=2 403 B12R1.30 CNCCC(c1ccccc1)O PI-31193 [0,2,0,0,0,0|0,0,0]=2 404 B12R1.34 C1=CC=C(C=C1)C(C(=O)NN)O PI-50234 [0,2,0,0,0,0|1,0,1]=4 405 B12R1.34 CC(C1=CC=CC=C1)C(=O)OC PI-50499 [0,2,0,0,0,0|1,0,1]=4 406 B12R1.34 COC(=O)C(C1=CC=CC=C1)Cl PI-12504 [0,2,0,0,0,0|1,0,1]=4 407 B12R1.34 COC(=O)C(C1=CC=CC=C1)O PI-31834 [0,2,0,0,0,0|1,0,1]=4 408 B12R1.34 COC(=O)C(C1=CC=CC=C1)O PI-31835 [0,2,0,0,0,0|1,0,1]=4 409 B12R1.34 COC(=O)[C@H](c1ccccc1)N PI-13398 [0,2,0,0,0,0|1,0,1]=4 410 B12R1.107 C1=CC=C(C=C1)C(CC(=O)O)N PI-18757 [0,2,0,0,0,0|2,0,0]=4 411 B12R1.107 C1=CC=C(C=C1)C(CC(=O)O)N PI-32818 [0,2,0,0,0,0|2,0,0]=4 412 B12R1.107 CC(C1=CC=CC=C1)NC(=O)C PI-26590 [0,2,0,0,0,0|2,0,0]=4 413 B12R1.107 CC(N[C@H](C1=CC=CC=C1)C)=O PI-26251 [0,2,0,0,0,0|2,0,0]=4 414 B12R1.107 CC(c1ccccc1)CC(=O)O PI-25588 [0,2,0,0,0,0|2,0,0]=4 415 B12R1.107 CN(C)C[C@H](C1=CC=CC=C1)O PI-50017 [0,2,0,0,0,0|0,0,0]=2 416 B12R1.107 C[S+](C)CC(=O)C1=CC=CC=C1 PI-23896 [0,2,0,0,0,0|1,0,1]=4 417 B12R1.107 C[S+](C)CC(=O)C1=CC=CC=C1 PI-23897 [0,2,0,0,0,0|1,0,1]=4 418 B12R1.107 N[C@H](c1ccccc1)CC(=O)O PI-18530 [0,2,0,0,0,0|2,0,0]=4 419 B12R1.107 OC(=O)C[C@@H](N)c1ccccc1 PI-18173 [0,2,0,0,0,0|2,0,0]=4 420 B12R1.107 OC(=O)C[C@@H](N)c1ccccc1 PI-18923 [0,2,0,0,0,0|2,0,0]=4 421 B12R1.107 OC(=O)C[C@@H](N)c1ccccc1 PI-18924 [0,2,0,0,0,0|2,0,0]=4 422 B12R1.308 CCCC(=O)C1=CC=CC=C1O PI-15453 [0,2,0,0,0,0|1,0,1]=4 423 B12R1.125 C1=CC=C(C(=C1)CCC(=O)O)Cl PI-16404 [0,2,0,0,0,0|2,0,0]=4 424 B12R1.125 C1=CC=C(C(=C1)CCC(=O)O)F PI-16997 [0,2,0,0,0,0|2,0,0]=4 425 B12R1.125 C1=CC=C(C(=C1)CCC(=O)O)O PI-20847 [0,2,0,0,0,0|2,0,0]=4 426 B12R1.125 CC1=CC=CC=C1CCC(=O)O PI-24240 [0,2,0,0,0,0|2,0,0]=4 427 B12R1.125 OC(=O)CCc1ccccc1Br PI-22537 [0,2,0,0,0,0|2,0,0]=4 428 B12R1.371 C1=CC=C(C(=C1)CC(=O)NN)Cl PI-50255 [0,2,0,0,0,0|1,0,1]=4 429 B12R1.371 C1=CC=C(C(=C1)CC(=O)NN)F PI-50405 [0,2,0,0,0,0|1,0,1]=4 430 B12R1.371 CC1=CC=CC=C1CC(=O)OC PI-50422 [0,2,0,0,0,0|1,0,1]=4 431 B12R1.371 COC(=O)CC1=CC=CC=C1Cl PI-30731 [0,2,0,0,0,0|1,0,1]=4 432 B12R1.371 COC(=O)CC1=CC=CC=C1F PI-30730 [0,2,0,0,0,0|1,0,1]=4 433 B12R1.371 COC(=O)CC1=CC=CC=C1O PI-50540 [0,2,0,0,0,0|1,0,1]=4 434 B12R1.371 COC(=O)Cc1ccccc1Br PI-26756 [0,2,0,0,0,0|1,0,1]=4 435 B12R1.50 C1=CC(=CC(=C1)Cl)CC(=O)NN PI-50254 [0,2,0,0,0,0|1,0,1]=4 436 B12R1.50 CC1=CC(=CC=C1)CC(=O)OC PI-50501 [0,2,0,0,0,0|1,0,1]=4 437 B12R1.50 CNC(=O)CC1=CC(=CC=C1)N PI-36757 [0,2,0,0,0,0|0,0,1]=3 438 B12R1.50 COC(=O)CC1=CC(=CC=C1)Br PI-50496 [0,2,0,0,0,0|1,0,1]=4 439 B12R1.50 COC(=O)CC1=CC(=CC=C1)F PI-50484 [0,2,0,0,0,0|1,0,1]=4 440 B12R1.50 COC(=O)CC1=CC(=CC=C1)N PI-50434 [0,2,0,0,0,0|1,0,1]=4 441 B12R1.50 COC(=O)CC1=CC(=CC=C1)N PI-50508 [0,2,0,0,0,0|1,0,1]=4 442 B12R1.50 COC(=O)CC1=CC(=CC=C1)O PI-50436 [0,2,0,0,0,0|1,0,1]=4 443 B12R1.50 COC(=O)Cc1cccc(Cl)c1 PI-30683 [0,2,0,0,0,0|1,0,1]=4 444 B12R1.226 C1=CC(=CC(=C1)O)CCC(=O)O PI-20848 [0,2,0,0,0,0|2,0,0]=4 445 B12R1.226 CC1=CC(=CC=C1)CCC(=O)O PI-24369 [0,2,0,0,0,0|2,0,0]=4 446 B12R1.226 OC(=O)CCc1cccc(c1)Br PI-22538 [0,2,0,0,0,0|2,0,0]=4 447 B12R1.226 OC(=O)CCc1cccc(c1)F PI-16998 [0,2,0,0,0,0|2,0,0]=4 448 B12R1.382 CNC1=CC=CC(=C1)CCCO PI-12563 [0,2,0,0,0,0|2,0,0]=4 449 B12R1.382 COCOC1=CC=CC(=C1)C=O PI-26117 [0,2,0,0,0,0|2,0,0]=4 450 B12R1.8 C1=CC=C(C=C1)C#CCCCO PI-30372 [0,2,0,0,0,0|1,0,1]=4 451 B12R1.8 C1=CC=C(C=C1)CCCCCBr PI-14508 [0,2,0,0,0,0|1,0,0]=3 452 B12R1.8 C1=CC=C(C=C1)COCCCBr PI-19703 [0,2,0,0,0,0|1,0,0]=3 453 B12R1.8 C1=CC=C(C=C1)COCCCO PI-32367 [0,2,0,0,0,0|1,0,0]=3 454 B12R1.8 CCCCCCC1=CC=CC=N1 PI-13332 [0,2,0,0,0,0|2,0,0]=4 455 B12R1.8 CCCCCC[N+]1=CC=CC=C1 PI-17157 [0,2,0,0,0,0|2,0,0]=4 456 B12R1.8 CCCCNCC1=CC=CC=C1 PI-28306 [0,2,0,0,0,0|1,0,0]=3 457 B12R1.8 O=CCCOCc1ccccc1 PI-39298 [0,2,0,0,0,0|1,0,1]=4 458 B12R1.8 OCCCNCc1ccccc1 PI-28560 [0,2,0,0,0,0|1,0,0]=3 459 B12R1.27 C1=CC=C(C=C1)CCC(=O)NN PI-50331 [0,2,0,0,0,0|1,0,0]=3 460 B12R1.27 C1=CC=C(C=C1)CNC(=O)CCl PI-49782 [0,2,0,0,0,0|2,0,0]=4 461 B12R1.27 C1=CC=C(C=C1)COC(=O)CBr PI-32119 [0,2,0,0,0,0|2,0,0]=4 462 B12R1.27 C1=CC=C(C=C1)COC(=O)CO PI-48132 [0,2,0,0,0,0|2,0,0]=4 463 B12R1.27 C1=CC=C(C=C1)COC(=O)NN PI-13115 [0,2,0,0,0,0|1,0,1]=4 464 B12R1.27 C1=CC=C(C=C1)OCC(=O)NN PI-50252 [0,2,0,0,0,0|1,0,1]=4 465 B12R1.27 C1=CC=C(C=C1)OCC(CO)O PI-33776 [0,2,0,0,0,0|2,0,0]=4 466 B12R1.27 CCC(=O)CCC1=CC=CC=C1 PI-33801 [0,2,0,0,0,0|1,0,0]=3 467 B12R1.27 CNC(=S)NCC1=CC=CC=C1 PI-28336 [0,2,0,0,0,0|0,0,1]=3 468 B12R1.27 COC(=O)CSC1=CC=CC=C1 PI-24151 [0,2,0,0,0,0|1,0,1]=4 469 B12R1.27 C[C@@H](NCC1=CC=CC=C1)CO PI-36948 [0,2,0,0,0,0|2,0,0]=4 470 B12R1.27 NCC(=O)OCc1ccccc1 PI-12180 [0,2,0,0,0,0|2,0,0]=4 471 B12R1.27 NCC(=O)OCc1ccccc1 PI-12746 [0,2,0,0,0,0|2,0,0]=4 472 B12R1.27 ONC(=O)OCc1ccccc1 PI-38635 [0,2,0,0,0,0|1,0,1]=4 473 B12R1.32 CCCC(CC1=CC=CC=C1)=O PI-19824 [0,2,0,0,0,0|1,0,0]=3 474 B12R1.32 CN(CC#C)CC1=CC=CC=C1 PI-28358 [0,2,0,0,0,0|1,0,1]=4 475 B12R1.32 COCC(CC1=CC=CC=C1)N PI-19806 [0,2,0,0,0,0|1,0,0]=3 476 B12R1.252 C1=CC=C(C=C1)CNCC(=O)O PI-28809 [0,2,0,0,0,0|2,0,0]=4 477 B12R1.252 C1=CC=C(C=C1)OCCC(=O)O PI-32597 [0,2,0,0,0,0|2,0,0]=4 478 B12R1.252 CC(=O)CSCC1=CC=CC=C1 PI-12794 [0,2,0,0,0,0|1,0,0]=3 479 B12R1.252 CC(=O)NCCC1=CC=CC=C1 PI-26960 [0,2,0,0,0,0|0,0,0]=2 480 B12R1.252 C[C@@H](O)COCC1=CC=CC=C1 PI-42639 [0,2,0,0,0,0|1,0,0]=3 481 B12R1.252 ClC(=O)COCc1ccccc1 PI-35826 [0,2,0,0,0,0|2,0,0]=4 482 B12R1.252 OC(=O)CCCc1ccccc1 PI-29265 [0,2,0,0,0,0|1,0,1]=4 483 B12R1.252 OC(=O)CNCc1ccccc1 PI-27252 [0,2,0,0,0,0|2,0,0]=4 484 B12R1.252 OC(=O)COCc1ccccc1 PI-33690 [0,2,0,0,0,0|2,0,0]=4 485 B12R1.252 [O-]C(=O)CCCc1ccccc1 PI-38535 [0,2,0,0,0,0|1,0,1]=4 486 B12R1.43 C1=CC=C(C=C1)CC(C(=O)N)N PI-41047 [0,2,0,0,0,0|2,0,0]=4 487 B12R1.43 C1=CC=C(C=C1)CC(C(=O)N)N PI-42203 [0,2,0,0,0,0|2,0,0]=4 488 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)O PI-10517 [0,2,0,0,0,0|2,0,0]=4 489 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)O PI-46947 [0,2,0,0,0,0|2,0,0]=4 490 B12R1.43 CN(C(=O)NC1=CC=CC=C1)O PI-20818 [0,2,0,0,0,0|1,0,1]=4 491 B12R1.43 N[C@@H](C(=O)O)Cc1ccccc1 PI-31261 [0,2,0,0,0,0|2,0,0]=4 492 B12R1.43 O[C@@H](C(=O)O)Cc1ccccc1 PI-28788 [0,2,0,0,0,0|2,0,0]=4 493 B12R1.118 OCC(CO)Cc1ccccc1 PI-24129 [0,2,0,0,0,0|2,0,0]=4 494 B12R1.891 C1=CC=C(C=C1)CCC(F)(F)F PI-19167 [0,2,0,0,0,0|2,0,0]=4 495 B10R2.6 C1CC1c2ccccc2 PI-17840 [1,0,0,1,0,0|0,0,0]=2 496 B10R2.6 O1C[C@@H]1c2ccccc2 PI-10841 [1,0,0,1,0,0|1,0,0]=3 497 B10R2.6 O1C[C@H]1c2ccccc2 PI-10838 [1,0,0,1,0,0|1,0,0]=3 498 B10R2.7 C12=C(CNC1)C=CC=C2 PI-41113 [1,0,0,1,0,0|0,0,0]=2 499 B10R2.7 C1=CC=C2C(=C1)C=CN2 PI-44715 [1,0,0,1,0,0|0,0,2]=4 500 B10R2.7 C1CC2=C(C1)N=CC=C2 PI-12954 [1,0,0,1,0,0|1,0,0]=3 501 B10R2.7 C1CNC2=CC=CC=C21 PI-44710 [1,0,0,1,0,0|0,0,0]=2 502 B10R2.7 C1COC2=CC=CC=C21 PI-21250 [1,0,0,1,0,0|1,0,0]=3 503 B10R2.7 c1ccc2c(c1)[nH]cn2 PI-31348 [1,0,0,1,0,0|1,0,1]=4 504 B10R2.7 c1ccc2c(c1)[nH]nc2 PI-31379 [1,0,0,1,0,0|1,0,1]=4 505 B10R2.7 c1cnc2c(c1)CNC2 PI-39410 [1,0,0,1,0,0|1,0,0]=3 506 B10R2.7 c1cnc2c(c1)CNC2 PI-39560 [1,0,0,1,0,0|1,0,0]=3 507 B10R2.320 C1=CC=CC2=C1CC2=O PI-40938 [1,0,0,1,0,0|1,0,1]=4 508 B10R2.320 C1C(C2=CC=CC=C21)Br PI-40935 [1,0,0,1,0,0|1,0,0]=3 509 B12R2.24 Brc1ccc2COCCc2c1 PI-36578 [0,1,0,1,0,0|1,0,0]=3 510 B12R2.24 C1CC2=CC=CC=C2CC1N PI-35442 [0,1,0,1,0,0|1,0,0]=3 511 B12R2.24 C1CC2=CC=CC=C2CC1O PI-18640 [0,1,0,1,0,0|1,0,0]=3 512 B12R2.24 C1CC2=CC=CC=C2C[C@@H]1N PI-48325 [0,1,0,1,0,0|1,0,0]=3 513 B12R2.24 C1CC2=CC=CC=C2C[C@H]1N PI-48324 [0,1,0,1,0,0|1,0,0]=3 514 B12R2.24 C1CN=CC2=C1C=CC(=C2)Cl PI-41043 [0,1,0,1,0,0|0,0,2]=4 515 B12R2.24 C1CNCC2=C1C=CC(=C2)N PI-17082 [0,1,0,1,0,0|0,0,0]=2 516 B12R2.24 CC1=CC2=C(C=C1)NCCC2 PI-29971 [0,1,0,1,0,0|2,0,0]=4 517 B12R2.24 CC1=NC2=C(CCCC2)C=C1 PI-11111 [0,1,0,1,0,0|2,0,0]=4 518 B12R2.24 CC1CCC2=CC=CC=C2N1 PI-33332 [0,1,0,1,0,0|1,0,0]=3 519 B12R2.24 Cc1ccc2c(c1)CNCC2 PI-39238 [0,1,0,1,0,0|0,0,0]=2 520 B12R2.24 Clc1ccc2c(c1)CCNC2 PI-39220 [0,1,0,1,0,0|0,0,0]=2 521 B12R2.24 Clc1ccc2c(c1)CNCC2 PI-39234 [0,1,0,1,0,0|0,0,0]=2 522 B12R2.24 FC1=CC2=C(CNCC2)C=C1 PI-42588 [0,1,0,1,0,0|0,0,0]=2 523 B12R2.24 NC1CNc2ccccc2C1 PI-36230 [0,1,0,1,0,0|2,0,0]=4 524 B12R2.24 Nc1ccc2c(c1)NCCC2 PI-37583 [0,1,0,1,0,0|2,0,0]=4 525 B12R2.24 O=C1CCc2c(C1)cccc2 PI-18642 [0,1,0,1,0,0|1,0,0]=3 526 B12R2.24 O=C1CCc2c(N1)cccc2 PI-29698 [0,1,0,1,0,0|2,0,0]=4 527 B12R2.24 O=C1OCc2ccccc2C1 PI-10151 [0,1,0,1,0,0|1,0,1]=4 528 B12R2.24 Oc1ccc2c(c1)CCCC2 PI-12597 [0,1,0,1,0,0|1,0,0]=3 529 B12R2.24 Oc1ccc2c(c1)NCCC2 PI-13250 [0,1,0,1,0,0|2,0,0]=4 530 B12R2.132 Brc1ccc2CCC(=O)c2c1 PI-32742 [0,1,0,1,0,0|2,0,0]=4 531 B12R2.132 C1CC(=O)C2=C1C=CC(=C2)I PI-32743 [0,1,0,1,0,0|2,0,0]=4 532 B12R2.132 C1CC(=O)C2=C1C=CC(=C2)N PI-34587 [0,1,0,1,0,0|2,0,0]=4 533 B12R2.132 CN1C2=C(C=CC(=C2)Br)C=N1 PI-34954 [0,1,0,1,0,0|1,0,1]=4 534 B12R2.132 Clc1ccc2c(c1)C(=O)CC2 PI-32741 [0,1,0,1,0,0|2,0,0]=4 535 B12R2.132 Fc1ccc2c(c1)C(=O)CC2 PI-16850 [0,1,0,1,0,0|2,0,0]=4 536 B12R2.132 N[C@@H]1CCC2=C1C=C(O)C=C2 PI-37113 [0,1,0,1,0,0|2,0,0]=4 537 B12R2.132 Nc1ccc2cnn(C)c2c1 PI-34953 [0,1,0,1,0,0|1,0,1]=4 538 B12R2.132 O=C1CCC2=C1C=C(O)C=C2 PI-37330 [0,1,0,1,0,0|2,0,0]=4 539 B12R2.2 C1CC(NC1)C2=CC=NC=C2 PI-27128 [0,1,0,1,0,0|2,0,0]=4 540 B12R2.2 C1CC(NC1)C2=CN=CC=C2 PI-27725 [0,1,0,1,0,0|2,0,0]=4 541 B12R2.2 C1CC=C(C1)C2=CC=CC=C2 PI-49447 [0,1,0,1,0,0|1,0,1]=4 542 B12R2.2 C1CNC(C1)C2=NC=CC=C2 PI-41461 [0,1,0,1,0,0|2,0,0]=4 543 B12R2.2 C1CNC(C1)c2ccccc2 PI-27036 [0,1,0,1,0,0|1,0,0]=3 544 B12R2.2 C1COC(O1)C2=CC=CC=C2 PI-34778 [0,1,0,1,0,0|2,0,0]=4 545 B12R2.2 n1ccc(cc1)N2CCCC2 PI-31124 [0,1,0,1,0,0|2,0,0]=4 546 B12R2.1081 C1CC(C2=C(C1)C=CC=N2)O PI-42265 [0,1,0,1,0,0|2,0,0]=4 547 B12R2.1081 C1CC(C2=C(C1)C=CN=C2)N PI-48339 [0,1,0,1,0,0|2,0,0]=4 548 B12R2.1081 C1CC(C2=CC=CC=C2C1)N PI-25359 [0,1,0,1,0,0|1,0,0]=3 549 B12R2.1081 C1CC(C2=CC=CC=C2C1)O PI-18634 [0,1,0,1,0,0|1,0,0]=3 550 B12R2.1081 C1CC2=C(C=CC=C2Br)NC1 PI-44889 [0,1,0,1,0,0|2,0,0]=4 551 B12R2.1081 C1CC2=C(C=CC=C2Br)NC1 PI-44914 [0,1,0,1,0,0|2,0,0]=4 552 B12R2.1081 C1CC2=CC=CC=C2C(=O)C1 PI-32512 [0,1,0,1,0,0|1,0,1]=4 553 B12R2.1081 C1CNC(=O)C2=CC=CC=C21 PI-35016 [0,1,0,1,0,0|0,0,1]=3 554 B12R2.1081 C1CNC2=CC=CC=C2C1=O PI-44146 [0,1,0,1,0,0|2,0,0]=4 555 B12R2.1081 C1CSC2=CC=CC=C2C1=O PI-44168 [0,1,0,1,0,0|2,0,0]=4 556 B12R2.1081 CC1=C2C(=CC=C1)CCCN2 PI-29657 [0,1,0,1,0,0|2,0,0]=4 557 B12R2.1081 CN1CCCc2c1cccc2 PI-37581 [0,1,0,1,0,0|0,0,0]=2 558 B12R2.1081 CN1CCNC2=CC=CC=C21 PI-35506 [0,1,0,1,0,0|0,0,0]=2 559 B12R2.1081 N[C@H]1CCOC2=C1C=CC=C2 PI-41866 [0,1,0,1,0,0|2,0,0]=4 560 B12R2.1081 Nc1cccc2c1CCCC2 PI-25360 [0,1,0,1,0,0|1,0,0]=3 561 B12R2.1081 Nc1cccc2c1CCNC2 PI-17677 [0,1,0,1,0,0|0,0,0]=2 562 B12R2.1081 O=C1CCOc2c1cccc2 PI-10312 [0,1,0,1,0,0|2,0,0]=4 563 B12R2.1081 O[C@@H]1CCCc2ccccc12 PI-18372 [0,1,0,1,0,0|1,0,0]=3 564 B12R2.1081 O[C@H]1CCCc2ccccc12 PI-18655 [0,1,0,1,0,0|1,0,0]=3 565 B12R2.1081 Oc1cccc2c1CCCC2 PI-18635 [0,1,0,1,0,0|1,0,0]=3 566 B12R2.2028 CN1C2=CC=CC=C2C(=N1)N PI-34974 [0,1,0,1,0,0|1,0,1]=4 567 B12R2.32 CCC1=CC2=CC=CC=C2C1 PI-29198 [0,1,0,1,0,0|1,0,1]=4 568 B12R2.32 CNC1CC2=CC=CC=C2C1 PI-42263 [0,1,0,1,0,0|0,0,0]=2 569 B12R2.196 C1CC(=O)C2=C1C(=CC=C2)Cl PI-32730 [0,1,0,1,0,0|2,0,0]=4 570 B12R2.196 C1CC(=O)C2=C1C(=CC=C2)F PI-32729 [0,1,0,1,0,0|2,0,0]=4 571 B12R2.196 C1CC(=O)C2=C1C(=CC=C2)I PI-32731 [0,1,0,1,0,0|2,0,0]=4 572 B12R2.196 C1CC(=O)C2=C1C(=CC=C2)O PI-40573 [0,1,0,1,0,0|2,0,0]=4 573 B12R2.196 CC1=C2CCC(=O)C2=CC=C1 PI-42676 [0,1,0,1,0,0|2,0,0]=4 574 B12R2.196 CN1C2=C(C=N1)C(=CC=C2)Cl PI-34935 [0,1,0,1,0,0|1,0,1]=4 575 B12R2.196 CN1C2=C(C=N1)C(=CC=C2)F PI-34937 [0,1,0,1,0,0|1,0,1]=4 576 B12R2.196 CN1C2=C(C=N1)C(=CC=C2)I PI-34936 [0,1,0,1,0,0|1,0,1]=4 577 B12R2.196 CN1C2=CC=CC(=C2C=N1)N PI-34933 [0,1,0,1,0,0|1,0,1]=4 578 B12R2.196 CN1N=CC2=C(Br)C=CC=C12 PI-34934 [0,1,0,1,0,0|1,0,1]=4 579 B12R2.196 O=C1CCc2c1cccc2Br PI-21520 [0,1,0,1,0,0|2,0,0]=4 580 B12R2.203 C1CC(=O)C2=C1C=CC=C2F PI-32734 [0,1,0,1,0,0|2,0,0]=4 581 B12R2.203 C1CC(=O)C2=C1C=CC=C2I PI-32736 [0,1,0,1,0,0|2,0,0]=4 582 B12R2.203 CN1C2=C(C=CC=C2Br)C=N1 PI-34903 [0,1,0,1,0,0|1,0,1]=4 583 B12R2.203 CN1C2=C(C=CC=C2N)C=N1 PI-34896 [0,1,0,1,0,0|1,0,1]=4 584 B12R2.203 O=C1CCc2c1c(Br)ccc2 PI-32735 [0,1,0,1,0,0|2,0,0]=4 585 B12R2.203 O=C1CCc2c1c(Cl)ccc2 PI-31373 [0,1,0,1,0,0|2,0,0]=4 586 B12R2.612 Brc1ccc2c(c1)cnn2C PI-34948 [0,1,0,1,0,0|1,0,1]=4 587 B12R2.612 C1=C(Br)C=CC2=C1CCC2=O PI-21521 [0,1,0,1,0,0|2,0,0]=4 588 B12R2.612 C1CC(=O)C2=C1C=C(C=C2)F PI-16849 [0,1,0,1,0,0|2,0,0]=4 589 B12R2.612 C1CC(=O)C2=C1C=C(C=C2)I PI-32739 [0,1,0,1,0,0|2,0,0]=4 590 B12R2.612 CC1NCC2=C1C=CC(Br)=C2 PI-41874 [0,1,0,1,0,0|2,0,0]=4 591 B12R2.612 CN1C2=C(C=C(C=C2)I)C=N1 PI-34951 [0,1,0,1,0,0|1,0,1]=4 592 B12R2.612 CN1C2=C(C=C(C=C2)N)C=N1 PI-34947 [0,1,0,1,0,0|1,0,1]=4 593 B12R2.612 CN1C=CC2=C1C=CC(=C2)N PI-45196 [0,1,0,1,0,0|0,0,2]=4 594 B12R2.612 Clc1ccc2C(=O)CCc2c1 PI-31195 [0,1,0,1,0,0|2,0,0]=4 595 B12R2.612 Nc1ccc2C(=O)CCc2c1 PI-14100 [0,1,0,1,0,0|2,0,0]=4 596 B12R2.612 O=C1CCC2=C1C=CC(C)=C2 PI-40563 [0,1,0,1,0,0|2,0,0]=4 597 B12R2.612 OC1=CC2=C(N(C)N=C2)C=C1 PI-46693 [0,1,0,1,0,0|1,0,1]=4 598 B12R2.612 Oc1ccc2C(=O)CCc2c1 PI-11505 [0,1,0,1,0,0|2,0,0]=4 599 B12R2.1 C1=CC=C2C(=C1)N=NN2CCl PI-47020 [0,1,0,1,0,0|2,0,0]=4 600 B12R2.1 C1CC(=NO)C2=CC=CC=C21 PI-16549 [0,1,0,1,0,0|1,0,1]=4 601 B12R2.1 CCN1C=NC2=C1C=CC=C2 PI-32332 [0,1,0,1,0,0|1,0,1]=4 602 B12R2.2057 C1(NCC2=CC=CC=C2)CC1 PI-19108 [0,1,0,1,0,0|1,0,0]=3 603 B12R2.2057 C1C(O1)COC2=CC=CC=C2 PI-32351 [0,1,0,1,0,0|1,0,0]=3 604 B12R2.2057 C1C(O1)COC2=CC=CC=C2 PI-32352 [0,1,0,1,0,0|1,0,0]=3 605 B12R2.18 C1C(C(=O)C2=CC=CC=C21)Br PI-30227 [0,1,0,1,0,0|2,0,0]=4 606 B12R2.18 C1C(C(C2=CC=CC=C21)O)Br PI-14453 [0,1,0,1,0,0|2,0,0]=4 607 B12R2.18 CC1C(NC2=CC=CC=C12)C PI-44123 [0,1,0,1,0,0|2,0,0]=4 608 B12R2.18 CC1N(N)C2=C(C=CC=C2)C1 PI-36643 [0,1,0,1,0,0|1,0,0]=3 609 B12R2.18 CN1C2=CC=CC=C2N=C1N PI-30188 [0,1,0,1,0,0|1,0,1]=4 610 B12R2.18 Cn1c(C)cc2c1cccc2 PI-11083 [0,1,0,1,0,0|0,0,2]=4 611 B12R2.18 NN1C(C)Cc2ccccc12 PI-16793 [0,1,0,1,0,0|1,0,0]=3 612 B12R2.18 N[C@@H]1[C@H](O)Cc2ccccc12 PI-10570 [0,1,0,1,0,0|2,0,0]=4 613 B12R2.18 N[C@H]1[C@@H](O)Cc2c1cccc2 PI-10847 [0,1,0,1,0,0|2,0,0]=4 614 B12R2.92 ClC1(Cl)CC1c2ccccc2 PI-30362 [0,1,0,1,0,0|2,0,0]=4 615 B12R2.3190 C1C(C2=CC=CC=C21)C(=O)O PI-40937 [0,1,0,1,0,0|2,0,0]=4 616 B8R1.8 C1=C(NC=N1)CCN PI-44999 [1,0,0,0,1,0|2,0,0]=4 617 B8R1.8 CCCC1=NC=CN1 PI-24452 [1,0,0,0,1,0|2,0,0]=4 618 B8R1.8 CNCC1=CC=NO1 PI-48159 [1,0,0,0,1,0|2,0,0]=4 619 B8R1.8 CSCC1=CC=CO1 PI-48491 [1,0,0,0,1,0|2,0,0]=4 620 B8R1.8 NCCc1cccs1 PI-11168 [1,0,0,0,1,0|1,0,0]=3 621 B8R1.8 NCCc1nc[nH]c1 PI-27712 [1,0,0,0,1,0|2,0,0]=4 622 B8R1.8 NCCn1cncc1 PI-36110 [1,0,0,0,1,0|2,0,0]=4 623 B8R1.8 OCCC1=CSC=C1 PI-42380 [1,0,0,0,1,0|2,0,0]=4 624 B8R1.8 OCCc1cccs1 PI-11150 [1,0,0,0,1,0|2,0,0]=4