0 B6R0.3 C#CC(=O)N(C)C L19965 [0,0,0,0,0,0|2,0,2]=4 1 B6R0.3 CN(C)C(=O)CN P36418 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.3 CNC(=O)C(C)N P38407 [0,0,0,0,0,0|2,0,1]=3 3 B6R0.3 CNC(=O)[C@@H](C)N P37080 [0,0,0,0,0,0|2,0,1]=3 4 B6R0.3 CNC(=O)[C@H](C)N P37082 [0,0,0,0,0,0|2,0,1]=3 5 B6R0.3 CO[C@@H](C)C(=O)O I-9183 [0,0,0,0,0,0|3,0,1]=4 6 B6R0.3 C\C=C(/F)C(=O)O F-4310 [0,0,0,0,0,0|4,0,0]=4 7 B5R0.1 C=C(C)CON P51484 [1,0,0,0,0,0|1,0,1]=3 8 B5R0.1 COCC(=N)N O34478 [1,0,0,0,0,0|2,0,1]=4 9 B5R0.1 COCC(C)Br O32164 [1,0,0,0,0,0|1,0,2]=4 10 B5R0.3 C#CC(=O)NC L19171 [1,0,0,0,0,0|1,0,2]=4 11 B5R0.3 C=CC(C)ON P51545 [1,0,0,0,0,0|2,0,1]=4 12 B5R0.3 CNC(=O)CBr P38653 [1,0,0,0,0,0|2,0,1]=4 13 B5R0.3 CNC(=O)CN P37877 [1,0,0,0,0,0|2,0,1]=4 14 B5R0.3 CNC(=O)CO P37539 [1,0,0,0,0,0|2,0,1]=4 15 B5R0.3 COC(=N)CCl P36514 [1,0,0,0,0,0|2,0,1]=4 16 B5R0.5 C=C(C)B(O)O P51397 [1,0,0,0,0,0|1,0,1]=3 17 B5R0.5 C=C(F)C(=O)O P51526 [1,0,0,0,0,0|1,0,0]=2 18 B5R0.5 CC(N)C(N)=O P37963 [1,0,0,0,0,0|2,0,1]=4 19 B5R0.5 CC(O)C(N)=O P39940 [1,0,0,0,0,0|2,0,1]=4 20 B5R0.5 C[C@@H](O)C(N)=O P37171 [1,0,0,0,0,0|2,0,1]=4 21 B7R0.5 CCOC(=O)C(=O)O P37044 [0,1,0,0,0,0|2,0,0]=3 22 B7R0.5 CN(C)C(=O)CCCl P40567 [0,1,0,0,0,0|2,0,1]=4 23 B7R0.5 CN(C)C(=O)CCN O33598 [0,1,0,0,0,0|2,0,1]=4 24 B7R0.5 CNCC(=O)N(C)C P40286 [0,1,0,0,0,0|2,0,1]=4 25 B7R0.10 CCC(=O)N(C)OC P42839 [0,1,0,0,0,0|2,0,1]=4 26 B7R0.10 CN[C@@H](C)C(=O)OC P40007 [0,1,0,0,0,0|0,0,2]=3 27 B7R0.10 COC(=O)C(C)CN P35475 [0,1,0,0,0,0|0,0,2]=3 28 B7R0.10 COC(=O)[C@@H](N)CN P41137 [0,1,0,0,0,0|1,0,1]=3 29 B7R0.14 CCC(=O)C(C)(C)C O30499 [0,1,0,0,0,0|1,0,2]=4 30 B7R0.14 CNC(=O)C(C)(C)N P35830 [0,1,0,0,0,0|1,0,2]=4 31 B7R0.14 CNC(=O)C(C)(C)N P42765 [0,1,0,0,0,0|1,0,2]=4 32 B7R0.14 COC(=O)C(C)(F)F O34592 [0,1,0,0,0,0|1,0,1]=3 33 B7R0.16 CC(N)C(=O)N(C)C P42081 [0,1,0,0,0,0|2,0,1]=4 34 B7R0.16 CC(N)C(=O)N(C)C P42198 [0,1,0,0,0,0|2,0,1]=4 35 B7R0.16 C[C@@H](N)C(=O)N(C)C P39515 [0,1,0,0,0,0|2,0,1]=4 36 B7R0.16 C[C@@H](N)C(=O)N(C)C P41438 [0,1,0,0,0,0|2,0,1]=4 37 B7R0.16 C[C@H](N)C(=O)N(C)C P36061 [0,1,0,0,0,0|2,0,1]=4 38 B7R0.16 C[C@H](N)C(=O)N(C)C P42054 [0,1,0,0,0,0|2,0,1]=4 39 B7R1.4 CC1=C(C)NN=C1 Q55565 [0,0,0,1,0,0|3,0,0]=4 40 B7R1.4 CC1=C(N)NN=C1 F-4795 [0,0,0,1,0,0|3,0,0]=4 41 B7R1.4 CC1=CNC=C1C C-3629 [0,0,0,1,0,0|3,0,0]=4 42 B7R1.4 CC1=CNN=C1Br G-5785 [0,0,0,1,0,0|3,0,0]=4 43 B7R1.4 CC1=CNN=C1Cl Q61499 [0,0,0,1,0,0|3,0,0]=4 44 B7R1.4 CC1=CSC=C1Br Q66876 [0,0,0,1,0,0|3,0,0]=4 45 B7R1.4 CC1=CSC=C1C Q70046 [0,0,0,1,0,0|3,0,0]=4 46 B7R1.4 CC1=CSC=C1N L14926 [0,0,0,1,0,0|3,0,0]=4 47 B7R1.4 CC1CCNC1=O O30375 [0,0,0,1,0,0|1,0,2]=4 48 B7R1.4 C[C@@H]1CCNC1=O Q61716 [0,0,0,1,0,0|1,0,2]=4 49 B7R1.4 C[C@H]1CCNC1=O Q61658 [0,0,0,1,0,0|1,0,2]=4 50 B7R1.4 NC1CCNC1=O F-4440 [0,0,0,1,0,0|2,0,1]=4 51 B7R1.4 NN1CCCC1=O P51102 [0,0,0,1,0,0|3,0,0]=4 52 B7R1.4 N[C@@H]1CCNC1=O F-4458 [0,0,0,1,0,0|2,0,1]=4 53 B7R1.4 N[C@H]1CCNC1=O F-4459 [0,0,0,1,0,0|2,0,1]=4 54 B7R1.4 N[C@H]1CCNC1=O L14236 [0,0,0,1,0,0|2,0,1]=4 55 B7R1.4 O=C1CCC=C1O A-670 [0,0,0,1,0,0|2,0,0]=3 56 B7R1.4 O=C1CCCC1=O L19145 [0,0,0,1,0,0|2,0,0]=3 57 B7R1.4 O=C1CCCC1O Q61720 [0,0,0,1,0,0|2,0,1]=4 58 B7R1.4 O=C1CCNC1=O Q62042 [0,0,0,1,0,0|2,0,0]=3 59 B7R1.4 O=C1NCCC1Br O31241 [0,0,0,1,0,0|2,0,1]=4 60 B7R1.4 O=C1NCCC1F Q62170 [0,0,0,1,0,0|2,0,1]=4 61 B7R1.4 O=C1NCCC1O D-2532 [0,0,0,1,0,0|2,0,1]=4 62 B7R1.4 O=C1NCC[C@@H]1F Q63592 [0,0,0,1,0,0|2,0,1]=4 63 B7R1.4 O=C1NCC[C@@H]1O F-4184 [0,0,0,1,0,0|2,0,1]=4 64 B7R1.4 O=C1NCC[C@H]1F Q63593 [0,0,0,1,0,0|2,0,1]=4 65 B7R1.4 O=C1NCC[C@H]1O O30124 [0,0,0,1,0,0|2,0,1]=4 66 B7R1.8 COC1CCC1=O P45632 [0,0,0,1,0,0|2,0,1]=4 67 B7R1.15 CN1CC(N)C1=O P45666 [0,0,0,1,0,0|2,0,1]=4 68 B7R1.15 CN1C[C@@H](N)C1=O P46164 [0,0,0,1,0,0|2,0,1]=4 69 B7R1.15 CN1C[C@H](N)C1=O P45267 [0,0,0,1,0,0|2,0,1]=4 70 B7R1.17 CC1(C)CCC1=O Q54759 [0,0,0,1,0,0|1,0,2]=4 71 B7R1.17 CC1(C)CNC1=O P45241 [0,0,0,1,0,0|1,0,2]=4 72 B7R1.22 CCC(=O)C1CC1 I-9941 [0,0,0,1,0,0|1,0,2]=4 73 B7R0.2 CCC(=O)CC(=O)O P43007 [0,0,0,0,0,1|3,0,0]=4 74 B7R0.2 CCC(=O)CC(C)=O O31794 [0,0,0,0,0,1|2,0,0]=3 75 B7R0.2 CNC(=O)CC(=O)O P38150 [0,0,0,0,0,1|3,0,0]=4 76 B7R0.2 COC(=O)CC(C)N P41489 [0,0,0,0,0,1|1,0,1]=3 77 B7R0.2 COC(=O)CN(C)C P36457 [0,0,0,0,0,1|1,0,1]=3 78 B7R0.2 COC(=O)C[C@@H](C)N Q68958 [0,0,0,0,0,1|1,0,1]=3 79 B7R0.2 COC(=O)C[N+](=O)[O-] P45896 [0,0,0,0,0,1|3,0,0]=4 80 B4R0.1 C#CC(C)=O P41295 [2,0,0,0,0,0|0,0,2]=4 81 B4R0.1 C=C(C)CN P39039 [2,0,0,0,0,0|1,0,1]=4 82 B4R0.1 CC(=O)CN P45193 [2,0,0,0,0,0|1,0,1]=4 83 B4R0.2 COCC=O F-4461 [2,0,0,0,0,0|1,0,1]=4 84 B8R0.5 CCCC(=O)CC(C)=O O29704 [0,1,0,0,0,1|2,0,0]=4 85 B8R0.5 CCOC(=O)CC(C)N P42993 [0,1,0,0,0,1|1,0,1]=4 86 B8R0.5 CCOC(=O)C[C@@H](C)O P39378 [0,1,0,0,0,1|1,0,1]=4 87 B8R0.5 CCOC(=O)C[C@H](C)N Q68957 [0,1,0,0,0,1|1,0,1]=4 88 B8R0.3 C#CC[C@@H](N)C(=O)OC Q65834 [0,2,0,0,0,0|1,0,1]=4 89 B8R0.3 C#CC[C@H](N)C(=O)OC P40730 [0,2,0,0,0,0|1,0,1]=4 90 B8R0.3 C=C(CO)C(=O)OCC F-4649 [0,2,0,0,0,0|0,0,0]=2 91 B8R0.3 CCCC(N)C(=O)OC P43113 [0,2,0,0,0,0|1,0,1]=4 92 B8R0.3 CCOC(=O)C(C)CN P40244 [0,2,0,0,0,0|0,0,2]=4 93 B8R0.3 CCOC(=O)C(N)CC P37453 [0,2,0,0,0,0|1,0,1]=4 94 B8R0.3 CCOC(=O)C(O)CC P37661 [0,2,0,0,0,0|1,0,1]=4 95 B8R0.3 CCOC(=O)[C@@H](N)CC P35145 [0,2,0,0,0,0|1,0,1]=4 96 B8R0.3 CCOC(=O)[C@@H](N)CN P41065 [0,2,0,0,0,0|1,0,1]=4 97 B8R0.3 CCOC(=O)[C@H](N)CC P41834 [0,2,0,0,0,0|1,0,1]=4 98 B8R0.3 COCC(=O)N(C)OC P41688 [0,2,0,0,0,0|1,0,1]=4 99 B8R0.3 CO\C=C(/I)C(=O)OC O32141 [0,2,0,0,0,0|1,0,0]=3 100 B8R0.14 CCOC(=O)C(C)(F)F P39038 [0,2,0,0,0,0|1,0,1]=4 101 B6R1.2 CC1=CNC=C1 L13609 [1,0,0,1,0,0|1,0,1]=4 102 B6R1.2 CC1=CNN=C1 M22981 [1,0,0,1,0,0|2,0,0]=4 103 B6R1.2 CC1=COC=C1 10706 [1,0,0,1,0,0|0,0,1]=3 104 B6R1.2 CC1=COC=N1 M15472 [1,0,0,1,0,0|1,0,1]=4 105 B6R1.2 IC1=COCC1 Q53484 [1,0,0,1,0,0|1,0,0]=3 106 B6R1.2 O=C1CCOC1 B-1767 [1,0,0,1,0,0|1,0,1]=4 107 B6R1.4 CC1CCC1=O P47956 [1,0,0,1,0,0|1,0,1]=4 108 B8R1.1 COC1=NC=C(Br)S1 M23855 [0,0,0,1,0,1|2,0,0]=4 109 B8R1.1 CSC1=CC(C)=CS1 N26956 [0,0,0,1,0,1|0,2,0]=4 110 B8R1.4 C=C1CCOC(C)C1 Q54980 [0,0,0,1,0,1|1,0,1]=4 111 B8R1.4 CC1=CC(=O)NN=C1 Q55625 [0,0,0,1,0,1|2,0,0]=4 112 B8R1.4 CC1=CCCC(=O)C1 O32064 [0,0,0,1,0,1|1,0,0]=3 113 B8R1.4 CC1=CN=NC(=O)C1 O30337 [0,0,0,1,0,1|2,0,0]=4 114 B8R1.4 CN1CCOC(=O)C1 Q54674 [0,0,0,1,0,1|1,0,1]=4 115 B8R1.4 O=C1CCCC(=O)C1 P44675 [0,0,0,1,0,1|2,0,0]=4 116 B8R1.4 O=C1CCNC(=O)C1 B-1275 [0,0,0,1,0,1|2,0,0]=4 117 B8R1.4 O=C1CCOC(=O)C1 H-8796 [0,0,0,1,0,1|1,0,0]=3 118 B8R1.18 CN1CC(=O)CC1=O Q55049 [0,0,0,1,0,1|2,0,0]=4 119 B8R1.40 COC(=O)C=C1CC1 H-8420 [0,0,0,1,0,1|0,0,1]=3 120 B8R1.40 COC(=O)CC1CC1 G-7131 [0,0,0,1,0,1|0,0,2]=4 121 B8R1.51 CC1(C)COC(=O)N1 C-3461 [0,0,0,1,0,1|0,0,2]=4 122 B8R1.5 CC1=CC=NNC1=O G-6419 [0,1,0,1,0,0|1,0,1]=4 123 B8R1.5 CC1=CN=CNC1=O L18637 [0,1,0,1,0,0|1,0,1]=4 124 B8R1.5 O=C1CCCNC1=O S72799 [0,1,0,1,0,0|2,0,0]=4 125 B8R1.5 O=C1COCCC1Br Q54651 [0,1,0,1,0,0|1,0,1]=4 126 B8R1.5 O=C1OC=CC=C1O M15566 [0,1,0,1,0,0|1,0,1]=4 127 B8R1.5 O=C1OCCCC1Br L20669 [0,1,0,1,0,0|1,0,1]=4 128 B8R1.11 CC1=C(CN)C=NO1 L18895 [0,1,0,1,0,0|2,0,0]=4 129 B8R1.11 CC1=CNN=C1C=O Q60308 [0,1,0,1,0,0|2,0,0]=4 130 B8R1.11 CC1=CSC=C1C=O L14435 [0,1,0,1,0,0|2,0,0]=4 131 B8R1.11 COC1=CC=NN1C Q69571 [0,1,0,1,0,0|2,0,0]=4 132 B8R1.11 COC1=CSC=C1N O29276 [0,1,0,1,0,0|1,1,0]=4 133 B8R1.11 COC1=CSC=C1N O29280 [0,1,0,1,0,0|1,1,0]=4 134 B8R1.11 NCC1=CNNC1=O Q52410 [0,1,0,1,0,0|2,0,0]=4 135 B8R1.38 COC(=O)C1C=CC1 P47818 [0,1,0,1,0,0|0,0,1]=3 136 B8R1.38 COC(=O)C1CCC1 P45206 [0,1,0,1,0,0|0,0,2]=4 137 B8R1.38 COC(=O)C1CCN1 F-4237 [0,1,0,1,0,0|0,0,2]=4 138 B8R1.38 COC(=O)C1CNC1 A-420 [0,1,0,1,0,0|0,0,2]=4 139 B8R1.38 COC(=O)C1CNC1 F-4426 [0,1,0,1,0,0|0,0,2]=4 140 B8R1.38 COC(=O)C1COC1 L13768 [0,1,0,1,0,0|0,0,2]=4 141 B8R1.38 COC(=O)[C@@H]1CCN1 G-7134 [0,1,0,1,0,0|0,0,2]=4 142 B8R1.38 COC(=O)[C@H]1CCN1 G-7965 [0,1,0,1,0,0|0,0,2]=4 143 B8R1.39 COC(=O)C1(N)CC1 I-9591 [0,1,0,1,0,0|0,0,2]=4 144 B8R1.39 COC(=O)C1(O)CC1 I-9203 [0,1,0,1,0,0|0,0,2]=4 145 B8R1.50 CC1=C(Br)N(C)N=C1 L13230 [0,1,0,1,0,0|2,0,0]=4 146 B8R1.50 CC1=C(C)C(N)=NO1 A-570 [0,1,0,1,0,0|2,0,0]=4 147 B8R1.50 CC1=C(N)N(C)N=C1 Q62007 [0,1,0,1,0,0|2,0,0]=4 148 B8R1.50 CC1=C(O)COC1=O O32297 [0,1,0,1,0,0|0,0,0]=2 149 B8R1.50 CN1CCC(=O)C1=O Q59432 [0,1,0,1,0,0|2,0,0]=4 150 B8R1.50 O=C1CCC(O)=C1F Q54658 [0,1,0,1,0,0|2,0,0]=4 151 B8R1.50 O=C1CCC(O)=C1I Q54659 [0,1,0,1,0,0|2,0,0]=4 152 B8R1.58 CC1(CO)COC1=O Q62787 [0,1,0,1,0,0|0,0,2]=4 153 B8R0.9 COC(=O)CNC(C)=O P42621 [0,0,0,0,0,2|1,0,0]=3