0 B5R0.2 BrCCCC#N ACS017125 [0,0,0,0,0,0|2,0,2]=4 1 B5R0.2 BrCCCCBr ACS015666 [0,0,0,0,0,0|2,0,2]=4 2 B5R0.2 BrCCCOC ACS011423 [0,0,0,0,0,0|2,0,2]=4 3 B5R0.2 CCCCCC ACS015704 [0,0,0,0,0,0|1,0,3]=4 4 B5R0.2 CNCCC#N ACS015717 [0,0,0,0,0,0|2,0,2]=4 5 B5R0.2 COCCOC ACS015683 [0,0,0,0,0,0|3,0,1]=4 6 B4R0.2 BrCCCCl ACS015639 [1,0,0,0,0,0|2,0,1]=4 7 B4R0.2 C(/C=C/C)=O ACS015659 [1,0,0,0,0,0|0,0,2]=3 8 B4R0.2 C(=C)OCC ACS015700 [1,0,0,0,0,0|1,0,1]=3 9 B4R0.2 C(=O)OCC ACS015696 [1,0,0,0,0,0|1,0,1]=3 10 B4R0.2 C(CCC)=O ACS015647 [1,0,0,0,0,0|0,0,1]=2 11 B4R0.2 C(CCC)O ACS015648 [1,0,0,0,0,0|0,0,3]=4 12 B4R0.2 FCCCO ACF017205 [1,0,0,0,0,0|1,0,2]=4 13 B6R0.4 ClCCCC(=O)Cl ACS013379 [0,1,0,0,0,0|1,0,1]=3 14 B6R0.6 C(=C)OCCCN ACS015636 [0,1,0,0,0,0|1,0,1]=3 15 B6R1.1 N1=CC=CC=C1 ACS012225 [0,0,0,1,0,0|1,0,2]=4 16 B6R1.1 N1=CC=CC=C1 ACS015241 [0,0,0,1,0,0|1,0,2]=4 17 B6R1.1 N1=CC=NC=C1 ACS011780 [0,0,0,1,0,0|2,0,1]=4 18 B6R1.1 N1=NC=CC=C1 ACS024010 [0,0,0,1,0,0|3,0,0]=4 19 B6R1.1 O1CCCC=C1 ACS011241 [0,0,0,1,0,0|0,0,2]=3 20 B6R1.1 [NH+]1=CC=CC=C1 ACS011730 [0,0,0,1,0,0|1,0,2]=4 21 B6R1.2 BrC1=COC=C1 ACS011172 [0,0,0,1,0,0|2,0,1]=4 22 B6R1.2 BrC=1SC=CC1 ACS015318 [0,0,0,1,0,0|2,0,1]=4 23 B6R1.2 C1(CCCC1)=O ACS012220 [0,0,0,1,0,0|0,0,2]=3 24 B6R1.2 CC1=CC=NN1 ACS012246 [0,0,0,1,0,0|3,0,0]=4 25 B6R1.2 CC1=CNC=C1 ACS011599 [0,0,0,1,0,0|2,0,1]=4 26 B6R1.2 CC1=CSC=C1 ACS015380 [0,0,0,1,0,0|2,0,1]=4 27 B6R1.2 CC1=NNC=C1 ACS011560 [0,0,0,1,0,0|3,0,0]=4 28 B6R1.2 CC=1OC=CC1 ACS015370 [0,0,0,1,0,0|2,0,1]=4 29 B6R1.2 FC1=NNC=C1 ACF021370 [0,0,0,1,0,0|3,0,0]=4 30 B6R1.2 N1C(NC=C1)=O ACS011886 [0,0,0,1,0,0|2,0,1]=4 31 B6R1.2 N1N=C(C=C1)N ACS011427 [0,0,0,1,0,0|3,0,0]=4 32 B6R1.2 NC1=NOC=C1 ACS011161 [0,0,0,1,0,0|3,0,0]=4 33 B6R1.2 O1N=CC=C1N ACS023792 [0,0,0,1,0,0|3,0,0]=4 34 B6R1.2 O1NC(C=C1)=O ACS018882 [0,0,0,1,0,0|2,0,0]=3 35 B6R1.2 S1C(NCC1)=O ACS011643 [0,0,0,1,0,0|2,0,1]=4 36 B6R1.2 S1CC(CC1)=O ACS010816 [0,0,0,1,0,0|1,0,1]=3 37 B6R1.2 S1N=CC=C1N ACS012102 [0,0,0,1,0,0|3,0,0]=4 38 B3R0.1 BrCCBr ACS015665 [2,0,0,0,0,0|2,0,0]=4 39 B3R0.1 BrCCO ACS012288 [2,0,0,0,0,0|1,0,1]=4 40 B3R0.1 C(C=C)Br ACS015635 [2,0,0,0,0,0|1,0,0]=3 41 B3R0.1 C(CC)#N ACS015759 [2,0,0,0,0,0|1,0,1]=4 42 B3R0.1 C(CS)S ACS011518 [2,0,0,0,0,0|1,1,0]=4 43 B3R0.1 Cl/C=C/Cl ACS015767 [2,0,0,0,0,0|2,0,0]=4 44 B5R0.1 C(#N)CC(=O)O ACS015661 [1,1,0,0,0,0|1,0,1]=4 45 B5R0.1 C(/C=C/C)(=O)O ACS015662 [1,1,0,0,0,0|0,0,2]=4 46 B5R0.1 CC(CC=O)C ACS015719 [1,1,0,0,0,0|0,0,1]=3 47 B5R0.1 COCC(=O)N ACS015711 [1,1,0,0,0,0|1,0,1]=4 48 B5R0.1 ClCCC(=O)O ACS015651 [1,1,0,0,0,0|1,0,0]=3 49 B5R0.1 OCCC(=O)O ACS011495 [1,1,0,0,0,0|1,0,0]=3 50 B5R0.3 BrC(C=O)C=O ACS015637 [1,1,0,0,0,0|1,0,0]=3 51 B5R0.3 O=C[C@@H](O)CO ACS010919 [1,1,0,0,0,0|1,0,0]=3 52 B5R0.3 O=C[C@@H](O)CO ACS010920 [1,1,0,0,0,0|1,0,0]=3 53 B7R0.2 C(C(CN)O)C(=O)O ACS015779 [0,2,0,0,0,0|1,0,1]=4 54 B7R0.2 NC[C@@H](CC(=O)O)O ACS010827 [0,2,0,0,0,0|1,0,1]=4 55 B7R0.3 COC(CCC=O)=O ACS024542 [0,2,0,0,0,0|0,0,1]=3 56 B7R0.5 C(C#C)[C@@H](N)C(=O)O ACS012163 [0,2,0,0,0,0|0,0,2]=4 57 B7R0.11 CC(C=O)(CC=C)C ACS024109 [0,2,0,0,0,0|0,0,0]=2 58 B7R0.4 BrCCCCC(=O)O ACS015645 [0,2,0,0,0,0|0,0,2]=4 59 B7R0.4 ClCCOCC(=O)O ACS023943 [0,2,0,0,0,0|1,0,1]=4 60 B7R0.6 C(CCC(C)C)(=O)Cl ACS011947 [0,2,0,0,0,0|0,0,2]=4 61 B7R0.6 [N+](=O)([O-])CCC(=O)O ACS019128 [0,2,0,0,0,0|2,0,0]=4 62 B5R1.1 N1C=CC=C1 ACS011791 [1,0,0,1,0,0|1,0,1]=4 63 B5R1.1 N1C=NC=C1 ACS015364 [1,0,0,1,0,0|2,0,0]=4 64 B5R1.1 N1CC=CC1 ACS024124 [1,0,0,1,0,0|1,0,1]=4 65 B5R1.1 O1N=CC=C1 ACS011160 [1,0,0,1,0,0|2,0,0]=4 66 B5R1.1 S1C=CC=C1 ACS015394 [1,0,0,1,0,0|0,1,1]=4 67 B5R1.1 S1N=CC=C1 ACS012108 [1,0,0,1,0,0|2,0,0]=4 68 B5R1.1 [CH-]1C=CC=C1 ACS012213 [1,0,0,1,0,0|0,0,2]=4 69 B5R1.2 C1(CCC1)=O ACS011189 [1,0,0,1,0,0|0,0,1]=3 70 B7R1.1 C1(CCCC1)C=O ACS012176 [0,1,0,1,0,0|0,0,2]=4 71 B7R1.1 N1C(=NC=C1)C=O ACS024128 [0,1,0,1,0,0|1,0,1]=4 72 B7R1.1 N1C=NC(=C1)C=O ACS011184 [0,1,0,1,0,0|1,0,1]=4 73 B7R1.1 O1C(=CC=C1)C=O ACS015356 [0,1,0,1,0,0|0,0,2]=4 74 B7R1.1 S1C(=CC=C1)C=O ACS015395 [0,1,0,1,0,0|0,0,2]=4 75 B7R1.1 S1C=C(C=C1)C=O ACS015396 [0,1,0,1,0,0|0,0,2]=4 76 B7R1.1 S1C=NC(=C1)C=O ACS018767 [0,1,0,1,0,0|1,0,1]=4 77 B7R1.2 FC1CC(CC1)=O ACF022433 [0,1,0,1,0,0|0,0,2]=4 78 B7R1.2 N1C(CCC1=O)=O ACS015391 [0,1,0,1,0,0|1,0,0]=3 79 B7R1.3 C1(C=CCCC1)=O ACS015663 [0,1,0,1,0,0|0,0,0]=2 80 B7R1.3 C1(CCCCO1)=O ACS011950 [0,1,0,1,0,0|0,0,2]=4 81 B7R1.3 C=C1CCNCC1 ACS023714 [0,1,0,1,0,0|1,0,1]=4 82 B7R1.3 N1C(CNCC1)=O ACS024008 [0,1,0,1,0,0|1,0,1]=4 83 B7R1.3 N1CC(OCC1)=O ACS017222 [0,1,0,1,0,0|1,0,1]=4 84 B7R1.3 N1CCC(CC1)=O ACS011072 [0,1,0,1,0,0|0,0,2]=4 85 B7R1.3 O1C(COCC1)=O ACS011667 [0,1,0,1,0,0|1,0,1]=4 86 B7R1.3 S1CCC(CC1)=O ACS024121 [0,1,0,1,0,0|0,0,2]=4 87 B7R1.4 CN1C(CCC1)=O ACS015379 [0,1,0,1,0,0|0,0,2]=4 88 B7R1.4 O[C@@H]1C(NCC1)=O ACS024173 [0,1,0,1,0,0|1,0,1]=4 89 B7R1.12 FC1C(C1)C(=O)O ACF021646 [0,1,0,1,0,0|1,0,1]=4 90 B7R1.12 F[C@H]1[C@@H](C1)C(=O)O ACF021647 [0,1,0,1,0,0|1,0,1]=4 91 B7R1.12 F[C@H]1[C@@H](C1)C(=O)O ACF021648 [0,1,0,1,0,0|1,0,1]=4 92 B7R1.12 F[C@H]1[C@H](C1)C(=O)O ACF012314 [0,1,0,1,0,0|1,0,1]=4 93 B7R1.20 C1(CC1)CC(=O)O ACS016976 [0,1,0,1,0,0|0,0,2]=4