0 B12R1.30 C=CCOC(=O)C1=CC=CC=C1 PI-50399 [0,0,0,0,0,0|0,0,2]=2 1 B12R1.30 CCCCC(=O)C1=CC=CC=C1 PI-40215 [0,0,0,0,0,0|1,0,0]=1 2 B12R1.30 CCCCN(C1=CC=CC=C1)N PI-29775 [0,0,0,0,0,0|3,0,0]=3 3 B12R1.30 CCCOC(=O)C1=CC=CC=C1 PI-50456 [0,0,0,0,0,0|0,0,0]=0 4 B12R1.30 CNCCC(C1=CC=CC=C1)Cl PI-22762 [0,0,0,0,0,0|3,0,1]=4 5 B12R1.30 CNCCC(c1ccccc1)O PI-31193 [0,0,0,0,0,0|2,0,2]=4 6 B11R1.16 C1=CC(=CN=C1)C(=O)NCO PI-10800 [1,0,0,0,0,0|3,0,0]=4 7 B11R1.16 C1=CC=C(C=C1)C(=O)N=C=O PI-50644 [1,0,0,0,0,0|2,0,1]=4 8 B11R1.16 C1=CC=C(C=C1)C(CCO)N PI-30207 [1,0,0,0,0,0|2,0,1]=4 9 B11R1.16 C1=CC=C(C=C1)C(CCO)N PI-30952 [1,0,0,0,0,0|2,0,1]=4 10 B11R1.16 C1=CC=C(C=C1)C(CCO)N PI-45013 [1,0,0,0,0,0|2,0,1]=4 11 B11R1.16 C=COC(=O)C1=CC=CC=C1 PI-44652 [1,0,0,0,0,0|0,0,2]=3 12 B11R1.16 CCCC(C1=CC=CC=C1)O PI-19327 [1,0,0,0,0,0|0,0,2]=3 13 B11R1.16 CCCC(C1=CC=CC=C1)O PI-19763 [1,0,0,0,0,0|0,0,2]=3 14 B11R1.16 CCOC(=N)C1=CC=CC=C1 PI-46544 [1,0,0,0,0,0|1,0,0]=2 15 B11R1.16 CCOC(=O)C1=CC=NC=C1 PI-33278 [1,0,0,0,0,0|1,0,0]=2 16 B11R1.16 CCOC(=O)C1=CN=CC=C1 PI-39994 [1,0,0,0,0,0|1,0,0]=2 17 B11R1.16 CCOC(=O)c1ccccn1 PI-33276 [1,0,0,0,0,0|1,0,0]=2 18 B11R1.16 CNOC(=O)C1=CC=CC=C1 PI-46922 [1,0,0,0,0,0|1,0,0]=2 19 B11R1.16 COCC(=O)c1ccccc1 PI-11856 [1,0,0,0,0,0|1,0,0]=2 20 B11R1.16 ClCCC(=O)c1ccccc1 PI-11246 [1,0,0,0,0,0|1,0,0]=2 21 B11R1.16 ClCC[C@@H](c1ccccc1)O PI-12073 [1,0,0,0,0,0|1,0,2]=4 22 B11R1.16 ClCC[C@H](c1ccccc1)O PI-12074 [1,0,0,0,0,0|1,0,2]=4 23 B11R1.16 N#CCC(=O)c1ccccc1 PI-14837 [1,0,0,0,0,0|1,0,1]=3 24 B11R1.16 N#CCC(C1=CC=NC=C1)=O PI-39619 [1,0,0,0,0,0|2,0,1]=4 25 B11R1.16 O=C(OCCl)C1=CC=CC=C1 PI-40036 [1,0,0,0,0,0|1,0,0]=2 26 B11R1.16 O\N=C\C(=O)c1ccccc1 PI-29665 [1,0,0,0,0,0|2,0,1]=4 27 B11R1.16 S=C=NC(=O)c1ccccc1 PI-14851 [1,0,0,0,0,0|2,0,1]=4 28 B11R1.28 C1=CC=C(C=C1)CCCCBr PI-13248 [1,0,0,0,0,0|2,0,1]=4 29 B11R1.28 C1=CC=C(C=C1)CCCCO PI-12011 [1,0,0,0,0,0|2,0,1]=4 30 B11R1.28 C1=CC=C(C=C1)COCCCl PI-19195 [1,0,0,0,0,0|1,0,1]=3 31 B11R1.28 C1=CC=C(C=C1)NCCCO PI-46938 [1,0,0,0,0,0|3,0,0]=4 32 B11R1.28 C1=CC=C(C=C1)OCCCBr PI-32239 [1,0,0,0,0,0|3,0,0]=4 33 B11R1.28 CCCCCC1=CC=CC=C1 PI-12353 [1,0,0,0,0,0|1,0,1]=3 34 B11R1.28 CCCCCC1=CC=CC=N1 PI-13331 [1,0,0,0,0,0|2,0,1]=4 35 B11R1.28 NCCOCc1ccccc1 PI-36880 [1,0,0,0,0,0|1,0,1]=3 36 B11R1.28 OCCOCc1ccccc1 PI-24526 [1,0,0,0,0,0|1,0,1]=3 37 B11R1.28 OCCSCc1ccccc1 PI-20759 [1,0,0,0,0,0|1,1,1]=4 38 B13R1.17 C1=CC(=CC=C1C(=O)CCCCl)F PI-28473 [0,1,0,0,0,0|2,0,0]=3 39 B13R1.17 C1=CC(=CC=C1C(=O)CCCCl)O PI-19859 [0,1,0,0,0,0|2,0,0]=3 40 B13R1.17 C1=CC(=CC=C1C(=O)NCCO)N PI-28631 [0,1,0,0,0,0|2,0,0]=3 41 B13R1.17 C1=CC(=NC=C1Cl)C(=O)NCCN PI-44007 [0,1,0,0,0,0|3,0,0]=4 42 B13R1.17 CCCCC(=O)C1=CC=C(C=C1)Br PI-26872 [0,1,0,0,0,0|1,0,0]=2 43 B13R1.17 CCCCC(=O)C1=CC=C(C=C1)Cl PI-12720 [0,1,0,0,0,0|1,0,0]=2 44 B13R1.17 CCCCC(=O)C1=CC=C(C=C1)O PI-12345 [0,1,0,0,0,0|1,0,0]=2 45 B13R1.17 NCCNC(=O)c1ccc(cc1)Cl PI-30987 [0,1,0,0,0,0|2,0,0]=3 46 B13R1.24 CCCCCC(C1=CC=CC=C1)O PI-46929 [0,1,0,0,0,0|1,0,2]=4 47 B13R1.45 C1=CC=C(C=C1)C(=O)NCC(=O)O PI-48841 [0,1,0,0,0,0|2,0,1]=4 48 B13R1.45 CC(=O)OCC(=O)C1=CC=CC=C1 PI-26318 [0,1,0,0,0,0|2,0,1]=4 49 B13R1.45 CC(C)COC(=O)C1=CC=CC=C1 PI-50390 [0,1,0,0,0,0|0,0,0]=1 50 B13R1.45 CN(C)CCC(=O)C1=CC=CC=C1 PI-34628 [0,1,0,0,0,0|2,0,0]=3 51 B13R1.47 CCOC(=O)C(=C)C1=CC=CC=C1 PI-46945 [0,1,0,0,0,0|3,0,0]=4 52 B13R1.47 CCOC(=O)C(=O)C1=CC=CC=C1 PI-28187 [0,1,0,0,0,0|2,0,0]=3 53 B13R1.674 C=CCOC(=O)C1=CC=CC=C1N PI-50402 [0,1,0,0,0,0|0,0,2]=3 54 B13R1.674 CCCOC(=O)C1=CC=CC=C1O PI-50398 [0,1,0,0,0,0|0,0,0]=1 55 B13R2.3 B1(OCCCO1)C2=CN=CC=C2 PI-13312 [0,0,0,1,0,0|2,0,1]=4 56 B13R2.3 C1(C2=CC=CC=C2)=CCNCC1 PI-32093 [0,0,0,1,0,0|3,0,0]=4 57 B13R2.3 C1(C2=CC=CC=C2)SCCCS1 PI-25657 [0,0,0,1,0,0|0,2,1]=4 58 B13R2.3 C1CCC(CC1)c2ccccc2 PI-31984 [0,0,0,1,0,0|2,0,1]=4 59 B13R2.3 C1CNCC=C1C2=CC=CC=C2 PI-25561 [0,0,0,1,0,0|3,0,0]=4 60 B13R2.371 CC1CCC(=O)C2=CC=CC=C12 PI-17609 [0,0,0,1,0,0|1,0,0]=2 61 B13R2.5252 C1CC(=O)C2=CC=CC=C2NC1 PI-24047 [0,0,0,1,0,0|2,0,0]=3 62 B13R2.5252 O=C1CCCCc2c1cccc2 PI-38859 [0,0,0,1,0,0|1,0,0]=2 63 B11R1.29 O=C(C1=CC=CS1)CCCCl PI-17459 [0,0,0,0,1,0|3,0,0]=4 64 B13R1.44 C=CCOC(=O)CC1=CC=CC=C1 PI-50438 [0,0,0,0,0,1|0,0,2]=3 65 B10R1.15 BrCC(=O)c1ccccn1 PI-20524 [2,0,0,0,0,0|2,0,0]=4 66 B10R1.15 BrCC(=O)c1ccncc1 PI-20526 [2,0,0,0,0,0|2,0,0]=4 67 B10R1.15 C1=CC(=CN=C1)C(=O)CBr PI-20525 [2,0,0,0,0,0|2,0,0]=4 68 B10R1.15 C1=CC=C(C=C1)C(=O)C#N PI-11000 [2,0,0,0,0,0|1,0,1]=4 69 B10R1.15 C1=CC=C(C=C1)C(=O)C=O PI-30054 [2,0,0,0,0,0|1,0,1]=4 70 B10R1.15 C1=CC=C(C=C1)C(=O)NO PI-10934 [2,0,0,0,0,0|2,0,0]=4 71 B10R1.15 CCC(=O)c1ccncc1 PI-36821 [2,0,0,0,0,0|1,0,0]=3 72 B10R1.15 CCC(C1=CC=CC=C1)N PI-16663 [2,0,0,0,0,0|1,0,1]=4 73 B10R1.15 CCC(O)c1ccccc1 PI-31770 [2,0,0,0,0,0|0,0,2]=4 74 B10R1.15 CCN(C)C1=CC=CC=C1 PI-35465 [2,0,0,0,0,0|2,0,0]=4 75 B10R1.15 CCN(C1=CC=CC=C1)N PI-29822 [2,0,0,0,0,0|2,0,0]=4 76 B10R1.15 CC[C@@H](C1=CC=CC=C1)O PI-49816 [2,0,0,0,0,0|0,0,2]=4 77 B10R1.15 CC[C@@H](c1ccccc1)N PI-16662 [2,0,0,0,0,0|1,0,1]=4 78 B10R1.15 CC[C@H](C1=CC=CC=C1)O PI-49815 [2,0,0,0,0,0|0,0,2]=4 79 B10R1.15 CNC(=O)c1ccccc1 PI-29765 [2,0,0,0,0,0|1,0,0]=3 80 B10R1.15 COC(=N)C1=CC=CC=C1 PI-19741 [2,0,0,0,0,0|1,0,0]=3 81 B10R1.15 COC(=N)C1=CC=CC=N1 PI-46993 [2,0,0,0,0,0|2,0,0]=4 82 B10R1.15 COC(=O)C1=CN=CC=C1 PI-33274 [2,0,0,0,0,0|1,0,0]=3 83 B10R1.15 COC(=O)C1=NC=CC=N1 PI-42078 [2,0,0,0,0,0|2,0,0]=4 84 B10R1.15 COC(=O)C1=NC=CN=C1 PI-30782 [2,0,0,0,0,0|2,0,0]=4 85 B10R1.15 COC(=O)c1ccccn1 PI-33273 [2,0,0,0,0,0|1,0,0]=3 86 B10R1.15 COC(=O)c1ccncn1 PI-36498 [2,0,0,0,0,0|2,0,0]=4 87 B10R1.15 NCC(=O)c1ccccc1 PI-29691 [2,0,0,0,0,0|1,0,0]=3 88 B10R1.15 OCC(=O)c1ccccc1 PI-11851 [2,0,0,0,0,0|1,0,0]=3 89 B10R1.17 C1=CC=C(C=C1)COCCl PI-28438 [2,0,0,0,0,0|1,0,1]=4 90 B10R1.17 C1=CC=C(C=C1)OCCBr PI-31495 [2,0,0,0,0,0|1,0,0]=3 91 B10R1.17 C1=CC=C(C=C1)OCCCl PI-12172 [2,0,0,0,0,0|1,0,0]=3 92 B10R1.17 C1=CC=C(C=C1)OCCN PI-12173 [2,0,0,0,0,0|1,0,0]=3 93 B10R1.17 C1=CC=C(C=C1)\C=C\CBr PI-46926 [2,0,0,0,0,0|1,0,1]=4 94 B10R1.17 C=CCOc1ccccc1 PI-36466 [2,0,0,0,0,0|0,0,2]=4 95 B10R1.17 CCCCC1=CC=CC=N1 PI-13327 [2,0,0,0,0,0|1,0,1]=4 96 B10R1.17 CCCC[N+]1=CC=CC=C1 PI-13343 [2,0,0,0,0,0|1,0,1]=4 97 B10R1.17 CCCC[N+]1=CC=CC=C1 PI-13349 [2,0,0,0,0,0|1,0,1]=4 98 B10R1.17 CCCC[N+]1=CC=CC=C1 PI-45700 [2,0,0,0,0,0|1,0,1]=4 99 B10R1.17 CCCC[N+]1=CC=CC=C1 PI-45703 [2,0,0,0,0,0|1,0,1]=4 100 B10R1.17 CCCSC1=CC=CC=C1 PI-19961 [2,0,0,0,0,0|0,1,0]=3 101 B10R1.17 ClCCCc1ccccc1 PI-33374 [2,0,0,0,0,0|1,0,1]=4 102 B10R1.17 NCCCc1ccccc1 PI-11351 [2,0,0,0,0,0|1,0,1]=4 103 B12R1.16 C1=CC(=CC=C1C(=O)CC#N)Br PI-14507 [1,1,0,0,0,0|1,0,1]=4 104 B12R1.16 C1=CC(=CC=C1C(=O)CC#N)I PI-50638 [1,1,0,0,0,0|1,0,1]=4 105 B12R1.16 C1=CC(=CC=C1C(=O)CCCl)Br PI-17566 [1,1,0,0,0,0|1,0,0]=3 106 B12R1.16 C1=CC(=CC=C1C(=O)CCCl)Cl PI-12841 [1,1,0,0,0,0|1,0,0]=3 107 B12R1.16 C1=CC(=CC=C1C(=O)CCCl)F PI-28418 [1,1,0,0,0,0|1,0,0]=3 108 B12R1.16 CC1=CC=C(C=C1)C(=O)CC#N PI-29894 [1,1,0,0,0,0|1,0,1]=4 109 B12R1.16 CC1=CC=C(C=C1)C(=O)CCCl PI-12818 [1,1,0,0,0,0|1,0,0]=3 110 B12R1.16 CCCC(=O)C1=CC=C(C=C1)F PI-26766 [1,1,0,0,0,0|0,0,0]=2 111 B12R1.16 CCCC(=O)C1=CC=C(C=C1)O PI-31007 [1,1,0,0,0,0|0,0,0]=2 112 B12R1.16 CCOC(=N)c1ccc(cc1)Br PI-36927 [1,1,0,0,0,0|1,0,0]=3 113 B12R1.16 CCOC(=O)C1=CC=C(C=C1)Br PI-50243 [1,1,0,0,0,0|0,0,0]=2 114 B12R1.16 CCOC(=O)C1=CC=C(C=C1)C PI-50598 [1,1,0,0,0,0|0,0,0]=2 115 B12R1.16 CCOC(=O)C1=CC=C(C=C1)Cl PI-34232 [1,1,0,0,0,0|0,0,0]=2 116 B12R1.16 CCOC(=O)C1=CC=C(C=C1)F PI-16489 [1,1,0,0,0,0|0,0,0]=2 117 B12R1.16 CCOC(=O)C1=CC=C(C=C1)N PI-12742 [1,1,0,0,0,0|0,0,0]=2 118 B12R1.16 CCOC(=O)C1=CN=C(C=C1)C PI-40838 [1,1,0,0,0,0|1,0,0]=3 119 B12R1.16 CCOC(=O)C1=CN=C(C=C1)Cl PI-16734 [1,1,0,0,0,0|1,0,0]=3 120 B12R1.16 CCOC(=O)C1=CN=C(C=C1)N PI-31799 [1,1,0,0,0,0|1,0,0]=3 121 B12R1.16 CCOC(=O)C1=NC=C(C=C1)N PI-31925 [1,1,0,0,0,0|1,0,0]=3 122 B12R1.16 CCOC(=O)C1=NC=C(N=C1)C PI-50302 [1,1,0,0,0,0|2,0,0]=4 123 B12R1.16 CCOC(=O)c1ccc(cc1)N PI-38042 [1,1,0,0,0,0|0,0,0]=2 124 B12R1.16 COCC(=O)C1=CC=C(C=C1)O PI-44114 [1,1,0,0,0,0|1,0,0]=3 125 B12R1.16 N#CCC(=O)c1ccc(Cl)cc1 PI-23155 [1,1,0,0,0,0|1,0,1]=4 126 B12R1.16 N#CCC(=O)c1ccc(cc1)F PI-23466 [1,1,0,0,0,0|1,0,1]=4 127 B12R1.16 O=C(C1=CN=C(Cl)N=C1)OCC PI-37399 [1,1,0,0,0,0|2,0,0]=4 128 B12R1.17 C1=CC(=CC(=C1)Cl)C(=O)CC#N PI-30316 [1,1,0,0,0,0|1,0,1]=4 129 B12R1.17 CC1=CC(=CC=C1)C(=O)CC#N PI-29676 [1,1,0,0,0,0|1,0,1]=4 130 B12R1.17 CCOC(=O)C1=CC(=CC=C1)Cl PI-50247 [1,1,0,0,0,0|0,0,0]=2 131 B12R1.17 CCOC(=O)C1=CC(=CC=C1)F PI-34136 [1,1,0,0,0,0|0,0,0]=2 132 B12R1.17 CCOC(=O)C1=CC(=CC=C1)O PI-18902 [1,1,0,0,0,0|0,0,0]=2 133 B12R1.17 CCOC(=O)C1=CC(=CN=C1)Br PI-10174 [1,1,0,0,0,0|1,0,0]=3 134 B12R1.17 CCOC(=O)C1=CC(=NC=C1)Cl PI-35025 [1,1,0,0,0,0|1,0,0]=3 135 B12R1.17 CCOC(=O)C1=CC=CC(=C1)C PI-50248 [1,1,0,0,0,0|0,0,0]=2 136 B12R1.17 CCOC(=O)c1cccc(c1)N PI-12743 [1,1,0,0,0,0|0,0,0]=2 137 B12R1.17 CNCC(=O)C1=CC(=CC=C1)O PI-44651 [1,1,0,0,0,0|1,0,0]=3 138 B12R1.17 N#CCC(=O)c1cccc(F)c1 PI-23465 [1,1,0,0,0,0|1,0,1]=4 139 B12R1.17 N#CCC(C1=CC=CC(Br)=C1)=O PI-20540 [1,1,0,0,0,0|1,0,1]=4 140 B12R1.17 O=C(OCC)C1=CC=CC(N)=C1 PI-41287 [1,1,0,0,0,0|0,0,0]=2 141 B12R1.34 COC(=O)C(=O)C1=CC=CC=C1 PI-11500 [1,1,0,0,0,0|1,0,1]=4 142 B12R1.39 C1=CC=C(C=C1)S(=O)(=O)CCCl PI-20052 [1,1,0,0,0,0|2,0,0]=4 143 B12R1.107 C1=CC=C(C=C1)C(=O)C[N+](=O)[O-] PI-21378 [1,1,0,0,0,0|2,0,0]=4 144 B12R1.107 CC(C)OC(=O)C1=CC=CC=C1 PI-50242 [1,1,0,0,0,0|0,0,0]=2 145 B12R1.107 C[S+](C)CC(=O)C1=CC=CC=C1 PI-23896 [1,1,0,0,0,0|1,0,0]=3 146 B12R1.107 C[S+](C)CC(=O)C1=CC=CC=C1 PI-23897 [1,1,0,0,0,0|1,0,0]=3 147 B12R1.308 C1=CC=C(C(=C1)C(=O)CC#N)Br PI-50632 [1,1,0,0,0,0|1,0,1]=4 148 B12R1.308 C1=CC=C(C(=C1)C(=O)CC#N)Cl PI-30575 [1,1,0,0,0,0|1,0,1]=4 149 B12R1.308 C1=CC=C(C(=C1)C(=O)CC#N)F PI-34244 [1,1,0,0,0,0|1,0,1]=4 150 B12R1.308 CCCC(=O)C1=CC=CC=C1O PI-15453 [1,1,0,0,0,0|0,0,0]=2 151 B12R1.308 CCOC(=O)C1=C(C=NC=C1)N PI-35281 [1,1,0,0,0,0|1,0,0]=3 152 B12R1.308 CCOC(=O)C1=C(N=CC=C1)C PI-18257 [1,1,0,0,0,0|1,0,0]=3 153 B12R1.308 CCOC(=O)C1=CC=CC=C1Br PI-50232 [1,1,0,0,0,0|0,0,0]=2 154 B12R1.308 CCOC(=O)C1=CC=CC=C1C PI-50249 [1,1,0,0,0,0|0,0,0]=2 155 B12R1.308 CCOC(=O)C1=CC=CC=C1Cl PI-19869 [1,1,0,0,0,0|0,0,0]=2 156 B12R1.308 CCOC(=O)C1=CC=CC=C1F PI-34135 [1,1,0,0,0,0|0,0,0]=2 157 B12R1.308 CCOC(=O)C1=CC=CC=C1I PI-50555 [1,1,0,0,0,0|0,0,0]=2 158 B12R1.308 NC1=C(C(=O)OCC)C=CC=N1 PI-34709 [1,1,0,0,0,0|1,0,0]=3 159 B12R1.308 O=C(NCC)C1=C(Cl)N=CC=C1 PI-46731 [1,1,0,0,0,0|2,0,0]=4 160 B12R1.1 CCCCCC1=CC=C(C=C1)Br PI-16233 [1,1,0,0,0,0|1,0,1]=4 161 B12R1.1 CCCCCc1ccc(O)cc1 PI-16210 [1,1,0,0,0,0|1,0,1]=4 162 B12R1.1 CCCCOC1=CC=C(C=C1)N PI-22654 [1,1,0,0,0,0|2,0,0]=4 163 B12R1.1 CCCCOc1ccc(cc1)Br PI-36885 [1,1,0,0,0,0|2,0,0]=4 164 B12R1.1 CCCCOc1ccc(cc1)O PI-13016 [1,1,0,0,0,0|2,0,0]=4 165 B12R1.8 C1=CC=C(C=C1)C#CCCCO PI-30372 [1,1,0,0,0,0|1,0,1]=4 166 B12R1.8 C1=CC=C(C=C1)CCCCCBr PI-14508 [1,1,0,0,0,0|1,0,1]=4 167 B12R1.8 C1=CC=C(C=C1)COCCCBr PI-19703 [1,1,0,0,0,0|0,0,1]=3 168 B12R1.8 C1=CC=C(C=C1)COCCCO PI-32367 [1,1,0,0,0,0|0,0,1]=3 169 B12R1.8 CCCCNCC1=CC=CC=C1 PI-28306 [1,1,0,0,0,0|1,0,1]=4 170 B12R1.8 O=CCCOCc1ccccc1 PI-39298 [1,1,0,0,0,0|0,0,2]=4 171 B12R1.8 OCCCNCc1ccccc1 PI-28560 [1,1,0,0,0,0|1,0,1]=4 172 B12R1.32 CCCC(CC1=CC=CC=C1)=O PI-19824 [1,1,0,0,0,0|1,0,1]=4 173 B12R1.252 C[C@@H](O)COCC1=CC=CC=C1 PI-42639 [1,1,0,0,0,0|0,0,1]=3 174 B14R1.158 CCCCOC(=O)CC1=CC=CC=C1 PI-50440 [0,1,0,0,0,1|0,0,0]=2 175 B14R1.158 OCCCNC(=S)Nc1ccccc1 PI-20859 [0,1,0,0,0,1|1,1,0]=4 176 B14R1.423 CC(C)COC(=O)CC1=CC=CC=C1 PI-19023 [0,1,0,0,0,1|0,0,0]=2 177 B14R1.423 CC(O)CNC(=S)Nc1ccccc1 PI-20858 [0,1,0,0,0,1|1,1,0]=4 178 B14R1.10 CCC(C)OC(=O)C1=CC=C(C=C1)O PI-50480 [0,2,0,0,0,0|0,0,0]=2 179 B14R1.29 CCOC(=O)CC(=O)c1ccccc1 PI-36978 [0,2,0,0,0,0|1,0,1]=4 180 B14R1.19 CCCCCC(=O)C1=CC=C(C=C1)O PI-12828 [0,2,0,0,0,0|1,0,0]=3 181 B14R1.19 CCCCOC(=O)C1=CC=C(C=C1)Cl PI-50392 [0,2,0,0,0,0|0,0,0]=2 182 B14R1.19 CCCCOC(=O)C1=CC=C(C=C1)[O-] PI-50395 [0,2,0,0,0,0|0,0,0]=2 183 B14R1.35 CCOC(=O)C(=O)C1=CC=C(C=C1)Cl PI-28423 [0,2,0,0,0,0|2,0,0]=4 184 B14R1.35 O=C(OCC)C(C1=CC=C(Br)C=C1)=O PI-40030 [0,2,0,0,0,0|2,0,0]=4 185 B14R1.125 CC1=CC=C(C=C1)S(=O)(=O)OCCCl PI-30942 [0,2,0,0,0,0|2,0,0]=4 186 B14R1.125 CCCCS(=O)(=O)C1=CC=C(C=C1)N PI-50201 [0,2,0,0,0,0|2,0,0]=4 187 B14R1.678 CC(C)COC(=O)C1=CC=C(C=C1)N PI-50391 [0,2,0,0,0,0|0,0,0]=2 188 B14R1.926 CCCCC(=O)C1=CC=C(C=C1)OC PI-16248 [0,2,0,0,0,0|1,0,0]=3 189 B14R1.926 COC1=CC=C(C=C1)C(=O)CCCCl PI-13652 [0,2,0,0,0,0|2,0,0]=4 190 B14R1.941 CC1=C(C=C(C=C1)C(=O)CCCCl)C PI-17570 [0,2,0,0,0,0|2,0,0]=4 191 B14R1.941 ClCCOC(=O)c1ccc(C)c(N)c1 PI-11285 [0,2,0,0,0,0|1,0,0]=3 192 B14R1.2523 C1=CC(=C(C=C1Cl)Cl)C(=O)NCCO PI-19297 [0,2,0,0,0,0|2,0,0]=4 193 B14R1.2523 C1=CC(=C(C=C1O)O)C(=O)NCCO PI-30363 [0,2,0,0,0,0|2,0,0]=4 194 B14R1.2523 CCCCC(C1=CC=C(Cl)C=C1Cl)=O PI-40216 [0,2,0,0,0,0|1,0,0]=3 195 B14R1.36 CCOC(=O)C(=O)C1=CC(=CC=C1)Cl PI-28696 [0,2,0,0,0,0|2,0,0]=4 196 B14R1.46 CCCCNS(=O)(=O)c1ccccc1 PI-31772 [0,2,0,0,0,0|2,0,0]=4 197 B14R1.163 COC(=O)CCC(=O)C1=CC=CC=C1 PI-29398 [0,2,0,0,0,0|1,0,1]=4 198 B14R1.420 CN(C)CCOC(=O)c1ccccc1 PI-32927 [0,2,0,0,0,0|0,0,0]=2 199 B14R1.420 OC(=O)CCCC(=O)c1ccccc1 PI-10931 [0,2,0,0,0,0|1,0,1]=4 200 B14R1.160 CC(C)COC(=O)C1=CC=CC=C1N PI-50397 [0,2,0,0,0,0|0,0,0]=2 201 B14R1.160 CC(C)COC(=O)C1=CC=CC=C1O PI-50394 [0,2,0,0,0,0|0,0,0]=2 202 B14R1.478 CCCC(C#N)C(=O)C1=CC=CC=C1 PI-28216 [0,2,0,0,0,0|1,0,0]=3 203 B12R2.2 C1CC=C(C1)C2=CC=CC=C2 PI-49447 [1,0,0,1,0,0|1,0,0]=3 204 B12R2.2 C1CN=C(N1)C2=CC=CC=C2 PI-32322 [1,0,0,1,0,0|2,0,0]=4 205 B12R2.2 C1CNC(C1)c2ccccc2 PI-27036 [1,0,0,1,0,0|1,0,1]=4 206 B12R2.2 C1COC(O1)C2=CC=CC=C2 PI-34778 [1,0,0,1,0,0|0,0,2]=4 207 B12R2.1081 C1CC(C2=CC=CC=C2C1)N PI-25359 [1,0,0,1,0,0|1,0,1]=4 208 B12R2.1081 C1CC(C2=CC=CC=C2C1)O PI-18634 [1,0,0,1,0,0|0,0,2]=4 209 B12R2.1081 C1CC2=CC=CC=C2C(=O)C1 PI-32512 [1,0,0,1,0,0|0,0,0]=2 210 B12R2.1081 C1CNC(=O)C2=CC=CC=C21 PI-35016 [1,0,0,1,0,0|1,0,0]=3 211 B12R2.1081 C1CNC2=CC=CC=C2C1=O PI-44146 [1,0,0,1,0,0|1,0,0]=3 212 B12R2.1081 C1CSC2=CC=CC=C2C1=O PI-44168 [1,0,0,1,0,0|1,0,0]=3 213 B12R2.1081 CN1CCCc2c1cccc2 PI-37581 [1,0,0,1,0,0|2,0,0]=4 214 B12R2.1081 N1=CC=CC2=C1C(CCC2)=O PI-42243 [1,0,0,1,0,0|1,0,0]=3 215 B12R2.1081 O=C1CCCc2ncccc12 PI-36251 [1,0,0,1,0,0|1,0,0]=3 216 B12R2.1081 O=C1CCOc2c1cccc2 PI-10312 [1,0,0,1,0,0|1,0,0]=3 217 B12R2.1081 O[C@@H]1CCCc2ccccc12 PI-18372 [1,0,0,1,0,0|0,0,2]=4 218 B12R2.1081 O[C@H]1CCCc2ccccc12 PI-18655 [1,0,0,1,0,0|0,0,2]=4 219 B12R2.2028 C1=CC=C2C(=C1)C(OC2=O)Br PI-22576 [1,0,0,1,0,0|1,0,0]=3 220 B12R2.2028 C1=CC=C2C(=C1)C(OC2=O)O PI-44675 [1,0,0,1,0,0|1,0,0]=3 221 B12R2.2028 C1C(=O)C2=CC=CC=C2C1=O PI-31372 [1,0,0,1,0,0|1,0,1]=4 222 B12R2.2057 C1(NCC2=CC=CC=C2)CC1 PI-19108 [1,0,0,1,0,0|1,0,1]=4 223 B14R2.24 O=C1CCCCC1c2ccccc2 PI-30147 [0,0,0,1,0,1|1,0,0]=3 224 B14R2.67 CCCCC1=CC2=CC=CC=C2O1 PI-22725 [0,0,0,1,0,1|1,0,1]=4 225 B14R2.67 CCCCC1=NC2=CC=CC=C2N1 PI-45293 [0,0,0,1,0,1|2,0,0]=4 226 B14R2.517 C1=CC=C2C(=C1)NC(=O)N2CCCl PI-34817 [0,0,0,1,0,1|2,0,0]=4 227 B14R2.8 B1(OCC(O1)CC)C2=CC=CC=C2 PI-49980 [0,1,0,1,0,0|1,0,1]=4 228 B14R2.260 CC1C(=O)OC(=N1)C2=CC=CC=C2 PI-24662 [0,1,0,1,0,0|1,0,1]=4 229 B14R2.68 C1C(COC(O1)C2=CC=CC=C2)O PI-42270 [0,1,0,1,0,0|0,0,2]=4 230 B14R2.68 C1C(COC(O1)C2=CC=CC=C2)O PI-46928 [0,1,0,1,0,0|0,0,2]=4 231 B14R2.68 C1COC(OC1)C2=CC=C(C=C2)Br PI-27795 [0,1,0,1,0,0|0,0,2]=4 232 B14R2.8719 C1CCC(=O)C2=C(C1)C=C(C=C2)O PI-48114 [0,1,0,1,0,0|1,0,0]=3 233 B14R2.8719 Clc1ccc2C(=O)CCCNc2c1 PI-36370 [0,1,0,1,0,0|2,0,0]=4 234 B14R2.5637 ClC1=CC2=C(NCCCC2=O)C=C1 PI-41262 [0,1,0,1,0,0|2,0,0]=4 235 B14R2.114 O=C(C1CCCC1)C2=CC=CC=C2 PI-42718 [0,1,0,1,0,0|1,0,0]=3 236 B14R2.510 CCC=C1C2=CC=CC=C2C(=O)O1 PI-27256 [0,1,0,1,0,0|0,0,1]=3 237 B14R2.19587 CCN1C=C(C2=CC=CC=C21)C=O PI-50647 [0,1,0,1,0,0|2,0,0]=4 238 B14R2.403 CC1(C)N=C(C2=CC=CC=C2)OC1 PI-47011 [0,1,0,1,0,0|1,0,0]=3 239 B14R2.403 CC1(COC(=N1)C2=CN=CC=C2)C PI-21258 [0,1,0,1,0,0|2,0,0]=4 240 B14R2.19306 CCN1C2=CC=CC=C2C(=O)C1=O PI-50649 [0,1,0,1,0,0|2,0,0]=4 241 B10R1.11 C1=C[NH]C(=N1)C(OCC)=O PI-40025 [1,0,0,0,1,0|2,0,0]=4 242 B10R1.11 CCCC(=O)C1=CC=CO1 PI-19566 [1,0,0,0,1,0|1,0,0]=3 243 B10R1.11 CCOC(=O)C1=CC=CO1 PI-45416 [1,0,0,0,1,0|1,0,0]=3 244 B10R1.11 CCOC(=O)C1=CN=CN1 PI-45041 [1,0,0,0,1,0|2,0,0]=4 245 B10R1.11 CCOC(=O)C1=CN=CO1 PI-41911 [1,0,0,0,1,0|2,0,0]=4 246 B10R1.11 CCOC(=O)C1=CSC=C1 PI-29710 [1,0,0,0,1,0|1,0,0]=3 247 B10R1.11 CCOC(=O)C1=CSC=N1 PI-25161 [1,0,0,0,1,0|2,0,0]=4 248 B10R1.11 CCOC(=O)c1c[nH]nc1 PI-11547 [1,0,0,0,1,0|2,0,0]=4 249 B10R1.11 CCOC(=O)c1cc[nH]n1 PI-39369 [1,0,0,0,1,0|2,0,0]=4 250 B10R1.11 CCOC(=O)c1ccc[nH]1 PI-19322 [1,0,0,0,1,0|1,0,0]=3 251 B10R1.11 CCOC(=O)c1cccs1 PI-11165 [1,0,0,0,1,0|1,0,0]=3 252 B10R1.11 CCOC(=O)c1cocc1 PI-13055 [1,0,0,0,1,0|1,0,0]=3 253 B14R1.156 C1=CC=C(C=C1)COC(=O)NCCN PI-47088 [0,0,0,0,0,2|2,0,0]=4 254 B14R1.156 C1=CC=C(C=C1)COC(=O)NCCO PI-43203 [0,0,0,0,0,2|2,0,0]=4 255 B14R1.156 C=CCOC(=O)C=CC1=CC=CC=C1 PI-44477 [0,0,0,0,0,2|0,0,2]=4 256 B14R1.156 O=C(NCCO)\C=C\C1=CC=CC=C1 PI-42736 [0,0,0,0,0,2|2,0,0]=4 257 B14R1.156 O=C(OCC1=CC=CC=C1)NCCBr PI-37289 [0,0,0,0,0,2|2,0,0]=4