0 B13R1.3763 O=C(O)CN1C=C(C(=O)C(=C1)I)Br Z5346056177 [0,0,0,0,0,0|0,1,0]=1 1 B13R1.3763 O=C(O)CN1C=C(C(=O)C(=C1)I)I Z104477116 [0,0,0,0,0,0|0,0,0]=0 2 B12R1.19 CC1=C(C=C(C=C1)CC(=O)O)Br Z1269160930 [1,0,0,0,0,0|2,1,0]=4 3 B12R1.19 CC1=C(C=C(C=C1)CC(=O)O)C Z56923286 [1,0,0,0,0,0|3,0,0]=4 4 B12R1.19 CC1=C(C=C(C=C1)CC(=O)O)Cl Z1198264457 [1,0,0,0,0,0|2,1,0]=4 5 B12R1.19 CC1=C(C=C(C=C1)CC(=O)O)O Z1198166108 [1,0,0,0,0,0|3,0,0]=4 6 B12R1.19 CC1=C(C=CC(=C1)CC(=O)O)Br Z1269233833 [1,0,0,0,0,0|3,0,0]=4 7 B12R1.19 CC1=C(C=CC(=C1)CC(=O)O)O Z1198169209 [1,0,0,0,0,0|2,0,1]=4 8 B12R1.19 O=C(O)CC1=CC(=C(C=C1)Br)Br Z1269150510 [1,0,0,0,0,0|2,1,0]=4 9 B12R1.19 O=C(O)CC1=CC(=C(C=C1)Br)Cl Z1269109822 [1,0,0,0,0,0|2,1,0]=4 10 B12R1.19 O=C(O)CC1=CC(=C(C=C1)Br)F Z1269111454 [1,0,0,0,0,0|2,1,0]=4 11 B12R1.19 O=C(O)CC1=CC(=C(C=C1)Cl)Br Z1269184545 [1,0,0,0,0,0|2,1,0]=4 12 B12R1.19 O=C(O)CC1=CC(=C(C=C1)Cl)Cl Z104476066 [1,0,0,0,0,0|2,1,0]=4 13 B12R1.19 O=C(O)CC1=CC(=C(C=C1)F)Br Z285131564 [1,0,0,0,0,0|2,1,0]=4 14 B12R1.19 O=C(O)CC1=CC(=C(C=C1)F)Cl Z362118814 [1,0,0,0,0,0|2,1,0]=4 15 B12R1.19 O=C(O)CC1=CC(=C(C=C1)F)F Z362118708 [1,0,0,0,0,0|2,1,0]=4 16 B12R1.19 O=C(O)CC1=CC(=C(C=C1)I)Br Z1269147843 [1,0,0,0,0,0|2,1,0]=4 17 B12R1.19 O=C(O)CC1=CC(=C(C=C1)O)Cl Z1205411134 [1,0,0,0,0,0|1,1,1]=4 18 B12R1.19 O=C(O)CC1=CC(=C(C=C1)O)F Z1255445925 [1,0,0,0,0,0|1,1,1]=4 19 B12R1.19 O=C(O)CC1=CC(=C(C=C1)O)O Z1255438427 [1,0,0,0,0,0|2,0,1]=4 20 B12R1.101 CC(=O)NC1=CC(=CC(=C1)I)I Z2078739597 [1,0,0,0,0,0|3,0,0]=4 21 B12R1.101 CC1=CC(=CC(=C1)CC(=O)O)C Z274447882 [1,0,0,0,0,0|3,0,0]=4 22 B12R1.101 NC1=CC(=CC(=C1)Br)CC(=O)O Z2732612288 [1,0,0,0,0,0|2,1,0]=4 23 B12R1.101 O=C(O)CC1=CC(=CC(=C1)Cl)Cl Z1269159102 [1,0,0,0,0,0|1,2,0]=4 24 B12R1.101 O=C(O)CC1=CC(=CC(=C1)F)Br Z1269139128 [1,0,0,0,0,0|1,2,0]=4 25 B12R1.101 O=C(O)CC1=CC(=CC(=C1)I)I Z1269132492 [1,0,0,0,0,0|1,0,0]=2 26 B12R1.101 O=C(O)CC1=CC(=CC(=C1)O)Br Z1269195529 [1,0,0,0,0,0|2,1,0]=4 27 B14R1.708 CNC(=O)CN1C=C(C(=O)C(=C1)I)I Z32017133 [0,1,0,0,0,0|1,0,0]=2 28 B14R1.708 O=C1C(=CN(C=C1I)CC(O)CO)I Z1269228101 [0,1,0,0,0,0|0,0,2]=3 29 B12R1.1005 CC1=C(C=C(C=C1Br)C(=O)O)I Z1456153987 [0,0,0,0,1,0|2,1,0]=4 30 B12R1.1005 CC1=C(C=C(C=C1F)C(=O)O)I Z1269199596 [0,0,0,0,1,0|2,1,0]=4 31 B12R1.1005 O=C(O)C1=CC(=C(C(=C1)I)I)I Z1269124794 [0,0,0,0,1,0|2,0,0]=3 32 B11R1.20 CC1=CC=C(C=C1)CC(=O)O Z104507548 [2,0,0,0,0,0|2,0,0]=4 33 B11R1.20 NC1=CC=C(C=C1)CC(=O)O Z104481066 [2,0,0,0,0,0|2,0,0]=4 34 B11R1.20 O=C(O)CC1=CC=C(C=C1)Br Z90121253 [2,0,0,0,0,0|2,0,0]=4 35 B11R1.20 O=C(O)CC1=CC=C(C=C1)Cl Z104477676 [2,0,0,0,0,0|2,0,0]=4 36 B11R1.20 O=C(O)CC1=CC=C(C=C1)F Z104477312 [2,0,0,0,0,0|2,0,0]=4 37 B11R1.20 O=C(O)CC1=CNC(=O)C=C1 Z1198338224 [2,0,0,0,0,0|2,0,0]=4 38 B11R1.157 NC(=O)CC1=CC(=CC=C1)I Z1419030795 [2,0,0,0,0,0|2,0,0]=4 39 B11R1.157 NC1=CC(=CC=C1)CC(=O)O Z992267406 [2,0,0,0,0,0|2,0,0]=4 40 B11R1.157 O=C(O)CC1=CC(=CC=C1)Br Z285131530 [2,0,0,0,0,0|1,1,0]=4 41 B11R1.157 O=C(O)CC1=CC(=CC=C1)Cl Z285184608 [2,0,0,0,0,0|1,1,0]=4 42 B11R1.157 O=C(O)CC1=CC(=CC=C1)F Z104486030 [2,0,0,0,0,0|1,1,0]=4 43 B11R1.157 O=C(O)CC1=CC(=CC=C1)I Z1269113140 [2,0,0,0,0,0|1,0,0]=3 44 B11R1.157 O=C(O)CC1=CC(=CC=C1)O Z816000338 [2,0,0,0,0,0|2,0,0]=4 45 B11R1.14 O=CC1=CC(=C(C(=C1)I)F)I Z1416179569 [2,0,0,0,0,0|2,0,0]=4 46 B11R1.14 O=CC1=CC(=C(C(=C1)I)O)I Z1269228742 [2,0,0,0,0,0|1,0,1]=4 47 B11R1.14 OCC1=CC(=C(C(=C1)I)I)I Z1269122519 [2,0,0,0,0,0|2,0,0]=4 48 B13R1.876 CC1=CN(C(=O)NC1=O)CC(=O)O Z1255442659 [1,1,0,0,0,0|2,0,0]=4 49 B13R1.876 O=C(O)CN1C=C(C(=O)NC1=O)Br Z104341194 [1,1,0,0,0,0|1,1,0]=4 50 B13R1.876 O=C(O)CN1C=C(C(=O)NC1=O)I Z1269221369 [1,1,0,0,0,0|1,0,0]=3 51 B13R1.3528 CN1C(=O)C=CN(C1=O)CC(=O)O Z316118716 [1,1,0,0,0,0|2,0,0]=4 52 B13R1.2816 O=C(O)CN1C=C(C=C(C1=O)Cl)Br Z1813133433 [1,1,0,0,0,0|0,2,0]=4 53 B13R1.2816 O=C(O)CN1C=C(C=C(C1=O)I)Br Z5011950319 [1,1,0,0,0,0|0,1,0]=3 54 B13R1.2811 NC1=C(C(=C(C=C1I)C(=O)O)O)I Z1269243654 [0,1,0,0,1,0|2,0,0]=4 55 B15R1.28955 N[C@@H](CC1=CC(=C(C(=C1)I)O)I)C(=O)O Z1509614134 [0,1,0,0,0,1|1,0,1]=4 56 B15R1.28955 N[C@H](CC1=CC(=C(C(=C1)I)O)I)C(=O)O Z1509519863 [0,1,0,0,0,1|1,0,1]=4 57 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)I Z239685220 [1,0,0,0,1,0|2,0,0]=4 58 B11R1.21 O=C(O)C1=CC(=C(C=C1)Cl)I Z239685218 [1,0,0,0,1,0|2,0,0]=4 59 B11R1.21 O=C(O)C1=CC(=C(C=C1)F)I Z1269207858 [1,0,0,0,1,0|2,0,0]=4 60 B11R1.21 O=C(O)C1=CC(=C(C=C1)I)I Z1269131507 [1,0,0,0,1,0|2,0,0]=4 61 B11R1.74 NC1=CC(=CC(=C1)I)C(=O)O Z1079174574 [1,0,0,0,1,0|2,0,0]=4 62 B11R1.74 O=C(O)C1=CC(=CC(=C1)Br)I Z1269214487 [1,0,0,0,1,0|1,1,0]=4 63 B11R1.74 O=C(O)C1=CC(=CC(=C1)Cl)I Z1269204711 [1,0,0,0,1,0|1,1,0]=4 64 B11R1.74 O=C(O)C1=CC(=CC(=C1)I)I Z277540160 [1,0,0,0,1,0|1,0,0]=3