0 B13R1.388 CCOC1=CC(=C(C=C1)OCC)S PI-21354 [0,0,0,0,0,0|1,1,1]=3 1 B12R1.114 CCOC1=C(C=C(C=C1)C=O)F PI-26661 [1,0,0,0,0,0|2,0,0]=3 2 B12R1.116 CCOC1=CC=C(C=C1)CC#N PI-19832 [1,0,0,0,0,0|1,0,2]=4 3 B12R1.116 CCOC1=CC=C(C=C1)N=C=O PI-19444 [1,0,0,0,0,0|2,0,1]=4 4 B12R1.116 CCOC1=CC=C(C=C1)N=C=S PI-22037 [1,0,0,0,0,0|2,0,1]=4 5 B12R1.288 C=CCc1ccc(OC)c(F)c1 PI-23724 [1,0,0,0,0,0|1,0,2]=4 6 B12R1.288 NCCc1ccc(OC)c(O)c1 PI-20793 [1,0,0,0,0,0|1,0,2]=4 7 B14R2.112 C1COC2=C(O1)C=CC(=C2)N=C=O PI-26021 [0,0,0,1,0,0|2,0,1]=4 8 B11R1.81 CCCC1=C(C=C(C=C1)O)O PI-19259 [2,0,0,0,0,0|2,0,0]=4 9 B11R1.83 CCCC1=CC=C(C=C1)C=O PI-27431 [2,0,0,0,0,0|2,0,0]=4 10 B11R1.83 CCOC1=CC=C(C=C1)C#C PI-30939 [2,0,0,0,0,0|0,0,2]=4 11 B11R1.83 CCOC1=CC=C(C=C1)C#N PI-50300 [2,0,0,0,0,0|1,0,1]=4 12 B11R1.83 CCOC1=CC=C(C=C1)C=O PI-50245 [2,0,0,0,0,0|1,0,0]=3 13 B11R1.83 CCSC1=CC=C(C=C1)C=O PI-27942 [2,0,0,0,0,0|1,1,0]=4 14 B11R1.83 COCc1ccc(cc1)OC PI-35666 [2,0,0,0,0,0|1,0,1]=4 15 B11R1.279 CC1=C(C=CC(=C1)C=O)OC PI-16554 [2,0,0,0,0,0|2,0,0]=4 16 B11R1.279 CC1=C(C=CC(=C1)OC)OC PI-33344 [2,0,0,0,0,0|2,0,0]=4 17 B11R1.279 COC1=C(C=C(C=C1)C#N)O PI-34038 [2,0,0,0,0,0|1,0,1]=4 18 B11R1.279 COC1=C(C=C(C=C1)C=O)Br PI-18486 [2,0,0,0,0,0|2,0,0]=4 19 B11R1.279 COC1=C(C=C(C=C1)C=O)F PI-28427 [2,0,0,0,0,0|2,0,0]=4 20 B11R1.279 COC1=C(C=C(C=C1)C=O)O PI-15305 [2,0,0,0,0,0|1,0,0]=3 21 B11R1.279 COC1=CC(=C(C=C1)OC)Br PI-21654 [2,0,0,0,0,0|2,0,0]=4 22 B11R1.279 COc1ccc(OC)c(F)c1 PI-21289 [2,0,0,0,0,0|2,0,0]=4 23 B11R1.279 COc1ccc(OC)c(O)c1 PI-32412 [2,0,0,0,0,0|1,0,0]=3 24 B11R1.279 COc1ccc(OC)c(S)c1 PI-21302 [2,0,0,0,0,0|1,1,0]=4 25 B11R1.192 C1=CC(=C(C=C1C=NO)O)O PI-27491 [2,0,0,0,0,0|2,0,0]=4 26 B11R1.192 C=CCC1=CC(=C(C=C1)O)O PI-41465 [2,0,0,0,0,0|0,0,2]=4 27 B13R1.653 C1=CC(=C(C=C1C=O)O)OC(F)F PI-26158 [1,1,0,0,0,0|2,0,0]=4 28 B13R1.1249 CCOC1=C(C=C(C=C1)C=O)OC PI-27109 [1,1,0,0,0,0|1,0,0]=3 29 B13R1.139 CCOC1=CC=C(C=C1)C(=O)NN PI-50296 [1,1,0,0,0,0|2,0,0]=4 30 B13R1.139 CCOC1=CC=C(C=C1)C(=O)OC PI-25374 [1,1,0,0,0,0|1,0,0]=3 31 B13R1.142 CCOC1=CC=C(C=C1)CC(=O)O PI-30647 [1,1,0,0,0,0|1,0,1]=4 32 B13R1.142 CCOC1=CC=C(C=C1)NC(=O)C PI-49053 [1,1,0,0,0,0|1,0,0]=3 33 B13R1.142 CCOC1=CC=C(C=C1)NC(=O)N PI-50301 [1,1,0,0,0,0|2,0,0]=4 34 B13R1.35 COc1ccc(CC(=O)O)cc1O PI-20795 [1,1,0,0,0,0|1,0,1]=4 35 B13R1.386 C=CCc1ccc(c(c1)OC)OC PI-33038 [1,1,0,0,0,0|0,0,2]=4 36 B13R1.3088 COC1=C(C=C(C=C1)C(=O)OC)Cl PI-30551 [1,1,0,0,0,0|2,0,0]=4 37 B13R1.3088 COC1=C(C=C(C=C1)C(=O)OC)I PI-30513 [1,1,0,0,0,0|2,0,0]=4 38 B13R1.3088 COC1=C(C=C(C=C1)C(=O)OC)N PI-10943 [1,1,0,0,0,0|2,0,0]=4 39 B15R1.9548 CCOC1=C(C=C(C=C1)CC(=O)O)OC PI-26080 [0,2,0,0,0,0|1,0,1]=4 40 B13R2.57 C1COC2=C(O1)C=CC(=C2)CN PI-21248 [1,0,0,1,0,0|1,0,1]=4 41 B13R2.57 O=Cc1ccc2OCCOc2c1 PI-14155 [1,0,0,1,0,0|1,0,0]=3 42 B13R2.449 CCOC1=CC2=C(C=C1)NC=C2 PI-18070 [1,0,0,1,0,0|1,0,1]=4 43 B15R2.2220 CCCC1=C(C2=C(C=CC=N2)C=C1)O PI-29719 [0,1,0,1,0,0|1,0,1]=4 44 B15R2.1601 C1COC2=C(O1)C=CC(=C2)C(=O)CBr PI-21649 [0,1,0,1,0,0|1,0,1]=4 45 B15R2.1601 ClCC(=O)c1ccc2OCCOc2c1 PI-23118 [0,1,0,1,0,0|1,0,1]=4