0 B12R1.1 CCCCCC1=CC=C(C=C1)Br PI-16233 [0,0,1,0,0,0|3,0,0]=4 1 B12R1.1 CCCCCc1ccc(O)cc1 PI-16210 [0,0,1,0,0,0|3,0,0]=4 2 B12R1.1 CCCCOC1=CC=C(C=C1)N PI-22654 [0,0,1,0,0,0|1,0,0]=2 3 B12R1.1 CCCCOc1ccc(cc1)Br PI-36885 [0,0,1,0,0,0|2,0,0]=3 4 B12R1.1 CCCCOc1ccc(cc1)O PI-13016 [0,0,1,0,0,0|2,0,0]=3 5 B12R1.1 ClCCCOc1ccc(F)cc1 PI-16895 [0,0,1,0,0,0|3,0,0]=4 6 B11R1.1 C#CCOc1ccc(cc1)N PI-38734 [1,0,1,0,0,0|0,0,2]=4 7 B11R1.1 C1=CC(=CC=C1CCCO)Cl PI-20215 [1,0,1,0,0,0|2,0,0]=4 8 B11R1.1 C1=CC(=CC=C1CCCO)O PI-46961 [1,0,1,0,0,0|2,0,0]=4 9 B11R1.1 C1=CC(=CC=C1N)OCCCl PI-47269 [1,0,1,0,0,0|1,0,0]=3 10 B11R1.1 C1=CC(=CC=C1OCCO)Br PI-19473 [1,0,1,0,0,0|1,0,0]=3 11 B11R1.1 C1=CC(=CC=C1OCCO)Cl PI-19256 [1,0,1,0,0,0|1,0,0]=3 12 B11R1.1 CCCCC1=CC=C(C=C1)C PI-19171 [1,0,1,0,0,0|2,0,0]=4 13 B11R1.1 CCCCC1=CC=C(C=C1)O PI-11971 [1,0,1,0,0,0|2,0,0]=4 14 B11R1.1 CCCCc1ccc(Br)cc1 PI-30595 [1,0,1,0,0,0|2,0,0]=4 15 B11R1.1 CCCOC1=CC=C(C=C1)Br PI-30574 [1,0,1,0,0,0|1,0,0]=3 16 B11R1.1 CCCOc1ccc(cc1)O PI-16211 [1,0,1,0,0,0|1,0,0]=3 17 B11R1.1 CNCCC1=CC=C(C=C1)O PI-43105 [1,0,1,0,0,0|2,0,0]=4 18 B11R1.1 COCCc1ccc(O)cc1 PI-12149 [1,0,1,0,0,0|1,0,0]=3 19 B11R1.1 ClCCOc1ccc(cc1)Cl PI-13022 [1,0,1,0,0,0|2,0,0]=4 20 B11R1.1 OCCCc1ccc(cc1)Br PI-39007 [1,0,1,0,0,0|2,0,0]=4 21 B11R1.28 C1=CC=C(C=C1)OCCCBr PI-32239 [1,0,1,0,0,0|2,0,0]=4 22 B11R1.28 CCCCCC1=CC=CC=C1 PI-12353 [1,0,1,0,0,0|2,0,0]=4 23 B11R1.20 C1=CC(=CC=C1N)OC(F)F PI-21176 [1,0,1,0,0,0|2,0,0]=4 24 B11R1.20 CC(C)CC1=CC=C(C=C1)Br PI-13179 [1,0,1,0,0,0|2,0,0]=4 25 B11R1.20 CC(C)NC1=CC=C(C=C1)F PI-42945 [1,0,1,0,0,0|2,0,0]=4 26 B11R1.20 CC(C)OC1=CC=C(C=C1)N PI-28808 [1,0,1,0,0,0|0,0,0]=2 27 B11R1.20 CC(OC1=CC=C(N)C=C1)=O PI-37062 [1,0,1,0,0,0|0,0,2]=4 28 B11R1.40 OC[C@@H](Cc1ccccc1)N PI-16474 [1,0,1,0,0,0|2,0,0]=4 29 B11R1.40 OC[C@H](Cc1ccccc1)N PI-16635 [1,0,1,0,0,0|2,0,0]=4 30 B13R1.9 CCCCCOC1=CC=C(C=C1)Br PI-30457 [0,1,1,0,0,0|2,0,0]=4 31 B13R1.9 CCCCCOC1=CC=C(C=C1)N PI-50580 [0,1,1,0,0,0|1,0,0]=3 32 B13R1.9 CCOCCOC1=CC=C(C=C1)Br PI-13150 [0,1,1,0,0,0|1,0,0]=3 33 B13R1.14 COC(=O)COC1=CC=C(C=C1)Br PI-50596 [0,1,1,0,0,0|1,0,1]=4 34 B13R1.371 CCCCOC1=CC=C(C=C1)C=O PI-27722 [0,1,1,0,0,0|2,0,0]=4 35 B13R1.371 CCCCOC1=CC=C(C=C1)CO PI-50583 [0,1,1,0,0,0|2,0,0]=4 36 B13R1.513 CN(C)CCOC1=CC=C(C=C1)Br PI-47271 [0,1,1,0,0,0|2,0,0]=4 37 B13R1.133 Clc1ccc(cc1)OC(C)C(=O)O PI-32596 [0,1,1,0,0,0|1,0,1]=4 38 B13R1.133 Oc1ccc(cc1)O[C@H](C)C(=O)O PI-12991 [0,1,1,0,0,0|1,0,1]=4 39 B13R2.31 O=C1CC(OC2=CC=CC=C2)C1 PI-46663 [1,1,0,0,0,0|1,0,0]=3 40 B13R2.520 C1CC1C(=O)C2=CC=C(C=C2)Br PI-48176 [0,1,0,0,1,0|2,0,0]=4 41 B13R2.520 C1CC1C(C2=CC=C(C=C2)Br)O PI-17024 [0,1,0,0,1,0|2,0,0]=4 42 B13R2.520 C1CC1C(C2=CC=C(C=C2)F)O PI-19924 [0,1,0,0,1,0|2,0,0]=4 43 B13R2.520 O=C(c1ccc(cc1)Cl)C2CC2 PI-12280 [0,1,0,0,1,0|2,0,0]=4 44 B13R2.520 O=C(c1ccc(cc1)F)C2CC2 PI-20930 [0,1,0,0,1,0|2,0,0]=4 45 B15R2.98 C1C(NC(=O)O1)CC2=CC=C(C=C2)N PI-10520 [0,1,0,0,0,1|1,0,1]=4 46 B15R2.98 C1C(NC(=O)O1)CC2=CC=C(C=C2)N PI-42010 [0,1,0,0,0,1|1,0,1]=4 47 B13R2.162 NC1=CC=C2C(=C1)N(CCC2)C PI-33981 [0,0,1,1,0,0|2,0,0]=4 48 B13R2.527 C1C(O1)COC2=CC=C(C=C2)Br PI-46959 [0,0,1,1,0,0|1,0,0]=3 49 B11R2.238 C1CC1Sc2ccccc2 PI-25166 [1,0,0,0,1,0|0,1,0]=3 50 B11R2.239 C1C(CO1)C2=CC=CC=C2 PI-36427 [1,0,0,0,1,0|0,0,0]=2 51 B11R2.34 BrC1=CC=C(C=C1)C2CC2 PI-40963 [0,0,0,0,2,0|1,0,0]=3 52 B11R2.34 Clc1ccc(cc1)[C@@H]2OC2 PI-36332 [0,0,0,0,2,0|1,0,0]=3 53 B13R2.2383 C1(OCC2=CC=CC=C2)CNC1 PI-40825 [1,0,0,0,0,1|1,0,0]=3 54 B15R2.29 BrC1=CC=C(OC2CCCCO2)C=C1 PI-42691 [0,0,0,0,0,2|2,0,0]=4 55 B15R2.29 C1CCOC(C1)OC2=CC=C(C=C2)O PI-41721 [0,0,0,0,0,2|2,0,0]=4