0 B12R1.77 BrCC(=O)C1=C(C=CC=C1)OC ACS014509 [1,0,0,0,0,0|2,0,0]=3 1 B12R1.77 BrCC1=C(C(=O)OC)C=CC=C1 ACS012797 [1,0,0,0,0,0|2,0,0]=3 2 B12R1.77 C(#N)C1=C(C(=O)OC)C=CC=C1 ACS012823 [1,0,0,0,0,0|2,0,0]=3 3 B12R1.77 COC1=CC=NC=C1C(=O)OC ACS019293 [1,0,0,0,0,0|2,0,0]=3 4 B12R1.308 BrC1=C(C(=O)OCC)C=CC=C1 ACS010559 [1,0,0,0,0,0|1,0,0]=2 5 B12R1.308 BrC1=C(C(=O)OCC)C=CN=C1 ACS011853 [1,0,0,0,0,0|2,0,0]=3 6 B12R1.308 CC1=C(C(=O)OCC)C=CC=C1 ACS012734 [1,0,0,0,0,0|0,0,0]=1 7 B12R1.308 CCOC(=O)c1cncnc1Cl ACS023850 [1,0,0,0,0,0|3,0,0]=4 8 B12R1.308 FC=1C(=NC=CC1)C(=O)OCC ACF023260 [1,0,0,0,0,0|2,0,0]=3 9 B12R1.308 OC1=NC=NC=C1C(=O)OCC ACS018738 [1,0,0,0,0,0|3,0,0]=4 10 B14R1.263 C(#N)CC1=C(C(=O)OCC)C=CC=C1 ACS016495 [0,1,0,0,0,0|1,0,1]=3 11 B14R1.263 C(C)OC1=C(C=NC=C1)C(CCC)=O ACS020655 [0,1,0,0,0,0|3,0,0]=4 12 B14R1.599 C(C)OC(C1=C(C=CC(=C1)F)C#N)=O ACF016493 [0,1,0,0,0,0|2,0,0]=3 13 B14R1.623 CN(C1=C(C(=O)OCC)C=CC=C1)C ACS012726 [0,1,0,0,0,0|0,0,0]=1 14 B14R1.7276 COC1=C(C(=O)OCC)C(=CC=C1)C ACS012733 [0,1,0,0,0,0|1,0,0]=2 15 B11R1.41 C(C)OC1=C(C#N)C=CC=C1 ACS013594 [2,0,0,0,0,0|2,0,0]=4 16 B11R1.41 C(C)OC1=C(C=CC=C1)OC ACS016109 [2,0,0,0,0,0|1,0,0]=3 17 B11R1.53 BrCC1=C(C(=O)O)C=CC=C1 ACS013105 [2,0,0,0,0,0|2,0,0]=4 18 B11R1.53 C(#N)C1=C(C(=O)O)C=CC=C1 ACS013147 [2,0,0,0,0,0|2,0,0]=4 19 B11R1.53 CNC1=C(C=CC=C1)[N+](=O)[O-] ACS016019 [2,0,0,0,0,0|1,0,1]=4 20 B11R1.53 COC1=C(C(=O)Cl)C=CC=C1 ACS013411 [2,0,0,0,0,0|2,0,0]=4 21 B11R1.53 COC1=C(C=CC=C1)C(C)=O ACS014580 [2,0,0,0,0,0|1,0,0]=3 22 B11R1.53 COC1=C(C=NC=C1)C(C)=O ACS019395 [2,0,0,0,0,0|2,0,0]=4 23 B11R1.53 COC1=CC=NC=C1C(=O)O ACS018990 [2,0,0,0,0,0|2,0,0]=4 24 B11R1.53 COC1=NC=CC=C1C(C)=O ACS017299 [2,0,0,0,0,0|2,0,0]=4 25 B11R1.222 BrC1=C(C(=O)OC)C=CC=C1 ACS010561 [2,0,0,0,0,0|1,0,0]=3 26 B11R1.222 BrC=1C(=NC=CC1)C(=O)OC ACS015223 [2,0,0,0,0,0|2,0,0]=4 27 B11R1.222 BrC=1C=NC=CC1C(=O)OC ACS015224 [2,0,0,0,0,0|2,0,0]=4 28 B11R1.222 BrCC(=O)C1=C(C=CC=C1)F ACF012600 [2,0,0,0,0,0|2,0,0]=4 29 B11R1.222 BrCC(=O)C1=C(C=CC=C1)O ACS014507 [2,0,0,0,0,0|2,0,0]=4 30 B11R1.222 CNC(C1=C(C=CC=C1)S)=O ACS023684 [2,0,0,0,0,0|2,0,0]=4 31 B11R1.222 COC(C1=C(C=CC=C1)S)=O ACS012868 [2,0,0,0,0,0|1,0,0]=3 32 B11R1.222 ClC1=C(C(=O)OC)C=CC=C1 ACS012809 [2,0,0,0,0,0|1,0,0]=3 33 B11R1.222 ClC1=NC=CC=C1C(=O)OC ACS015226 [2,0,0,0,0,0|2,0,0]=4 34 B11R1.222 FC1=C(C(=O)OC)C=CC=C1 ACF012846 [2,0,0,0,0,0|1,0,0]=3 35 B11R1.222 FC=1C(=NC=CC1)C(=O)OC ACF021753 [2,0,0,0,0,0|2,0,0]=4 36 B11R1.222 FC=1C=NC=CC1C(=O)OC ACF021456 [2,0,0,0,0,0|2,0,0]=4 37 B11R1.222 NC1=C(C(=O)OC)C=CC=C1 ACS012748 [2,0,0,0,0,0|0,0,0]=2 38 B11R1.222 NC1=C(C(=O)OC)C=CC=N1 ACS011796 [2,0,0,0,0,0|1,0,0]=3 39 B11R1.16 C(C1=CC=CC=C1)(=O)OCC ACS012711 [2,0,0,0,0,0|0,0,0]=2 40 B11R1.16 C(C1=CN=CC=C1)(=O)OCC ACS011462 [2,0,0,0,0,0|1,0,0]=3 41 B11R1.16 ClCCC(=O)C1=CC=CC=C1 ACS014605 [2,0,0,0,0,0|2,0,0]=4 42 B11R1.16 N1=CC(=CC=C1)C(CCC)=O ACS020723 [2,0,0,0,0,0|2,0,0]=4 43 B11R1.16 N1=CC=C(C=C1)C(=O)OCC ACS015215 [2,0,0,0,0,0|1,0,0]=3 44 B13R1.382 C(#N)CC1=C(C(=O)OC)C=CC=C1 ACS012831 [1,1,0,0,0,0|1,0,1]=4 45 B13R1.2065 BrC1=CC(=C(C(=O)OC)C=C1)OC ACS012796 [1,1,0,0,0,0|1,0,0]=3 46 B13R1.2065 BrC1=NC(=C(C(=O)OC)C=C1)OC ACS020846 [1,1,0,0,0,0|2,0,0]=4 47 B13R1.2065 C(#N)C1=C(C(=O)OC)C=CC(=C1)F ACF016491 [1,1,0,0,0,0|2,0,0]=4 48 B13R1.2065 COC(C1=C(C=C(C=C1)Br)CBr)=O ACS016411 [1,1,0,0,0,0|2,0,0]=4 49 B13R1.2065 ClC1=CC(=C(C=C1)C(CF)=O)OC ACF015817 [1,1,0,0,0,0|2,0,0]=4 50 B13R1.2209 COc1ccc(cc1C(=O)CBr)F ACF015806 [1,1,0,0,0,0|2,0,0]=4 51 B13R1.2209 ClC=1C=CC(=C(C(=O)OC)C1)C#N ACS016466 [1,1,0,0,0,0|2,0,0]=4 52 B13R1.446 BrC1=C(C(=O)OCC)C=C(C=C1)I ACS016444 [1,1,0,0,0,0|1,0,0]=3 53 B13R1.446 C(C)OC(C1=C(C=CC(=C1)O)F)=O ACF016520 [1,1,0,0,0,0|1,0,0]=3 54 B13R1.446 ClC1=C(C(=O)OCC)C=C(C=C1)Cl ACS016501 [1,1,0,0,0,0|1,0,0]=3 55 B13R1.446 FC1=C(C(=O)OCC)C=C(C=C1)I ACF016627 [1,1,0,0,0,0|1,0,0]=3 56 B13R1.1511 BrC1=CC(=C(C(=O)OCC)C=C1)F ACF016433 [1,1,0,0,0,0|1,0,0]=3 57 B13R1.1511 C(C)OC(C1=C(C=C(C=C1)C)F)=O ACF016540 [1,1,0,0,0,0|1,0,0]=3 58 B13R1.1511 ClC1=NC(=C(C(=O)OCC)C=C1)C ACS020408 [1,1,0,0,0,0|1,0,0]=3 59 B13R1.1511 FC1=C(C(=O)OCC)C=CC(=C1)F ACF012723 [1,1,0,0,0,0|1,0,0]=3 60 B13R1.1511 FC=1C(=NC=C(C1)F)C(=O)OCC ACF021535 [1,1,0,0,0,0|2,0,0]=4 61 B13R1.4453 BrC1=C(C(=O)OCC)C(=CC=C1)F ACF012713 [1,1,0,0,0,0|1,0,0]=3 62 B13R1.4453 FC1=C(C(=O)OCC)C(=CC=C1)F ACF012724 [1,1,0,0,0,0|1,0,0]=3 63 B13R1.4453 OC1=C(C(=O)OCC)C(=CC=C1)C ACS012731 [1,1,0,0,0,0|0,0,0]=2 64 B15R1.10602 NC=1C(=C(C(=O)OCC)C=CC1)[N+](=O)[O-] ACS016404 [0,2,0,0,0,0|1,0,1]=4 65 B13R2.5252 N1CCCC(C2=C1C=CC=C2)=O ACS011842 [1,0,0,1,0,0|0,0,0]=2 66 B13R2.5252 c1ccc2c(c1)CCCCC2=O ACS011591 [1,0,0,1,0,0|1,0,0]=3 67 B13R2.3097 C1(CC1)C(=O)C2=C(C=CC=C2)O ACS017171 [1,0,0,1,0,0|2,0,0]=4 68 B13R2.4857 CC1=C2C(C(=O)OC2=O)=CC=C1 ACS017065 [1,0,0,1,0,0|1,0,1]=4 69 B11R1.199 CC1=C(N=CS1)C(=O)OCC ACS012015 [1,0,0,0,1,0|2,0,0]=4 70 B11R1.199 FC1=C(NC=C1)C(=O)OCC ACF022908 [1,0,0,0,1,0|2,0,0]=4 71 B11R1.199 NC1=C(C=NN1)C(=O)OCC ACS023776 [1,0,0,0,1,0|2,0,0]=4