0 B8R0.5 CCCC(=O)CC(C)=O O29704 [0,0,0,0,0,0|1,0,2]=3 1 B8R0.5 CCOC(=O)CC(C)N P42993 [0,0,0,0,0,0|1,0,0]=1 2 B8R0.5 CCOC(=O)C[C@@H](C)O P39378 [0,0,0,0,0,0|0,0,0]=0 3 B8R0.5 CCOC(=O)C[C@H](C)N Q68957 [0,0,0,0,0,0|1,0,0]=1 4 B8R0.5 CNCC(=O)NC(C)C P37714 [0,0,0,0,0,0|4,0,0]=4 5 B8R0.5 CNCC(=O)NC(C)C P42287 [0,0,0,0,0,0|4,0,0]=4 6 B7R0.2 C=CC(=O)CC(C)C L19279 [1,0,0,0,0,0|1,0,2]=4 7 B7R0.2 CC(C)NC(=O)CBr P36229 [1,0,0,0,0,0|3,0,0]=4 8 B7R0.2 CC(C)NC(=O)CN P36647 [1,0,0,0,0,0|3,0,0]=4 9 B7R0.2 CC(C)NC(=O)CN P37073 [1,0,0,0,0,0|3,0,0]=4 10 B7R0.2 CCC(=O)CC(=O)O P43007 [1,0,0,0,0,0|1,0,1]=3 11 B7R0.2 CCC(=O)CC(C)=O O31794 [1,0,0,0,0,0|0,0,2]=3 12 B7R0.2 CNC(=O)CC(=O)O P38150 [1,0,0,0,0,0|2,0,1]=4 13 B7R0.2 COC(=O)CC(C)N P41489 [1,0,0,0,0,0|1,0,0]=2 14 B7R0.2 COC(=O)CN(C)C P36457 [1,0,0,0,0,0|2,0,0]=3 15 B7R0.2 COC(=O)C[C@@H](C)N Q68958 [1,0,0,0,0,0|1,0,0]=2 16 B7R0.2 COC(=O)C[N+](=O)[O-] P45896 [1,0,0,0,0,0|2,0,1]=4 17 B7R0.7 CCCN(C)CCO Q66069 [1,0,0,0,0,0|3,0,0]=4 18 B7R0.7 CCNC(=O)CC#N P41076 [1,0,0,0,0,0|2,0,1]=4 19 B7R0.7 CCNC(=O)CCN P36830 [1,0,0,0,0,0|2,0,0]=3 20 B7R0.7 CCNC(=O)CNC P35209 [1,0,0,0,0,0|2,0,0]=3 21 B7R0.7 CCNC(=O)CNC P39556 [1,0,0,0,0,0|2,0,0]=3 22 B7R0.7 CCOC(=O)CCI P36879 [1,0,0,0,0,0|1,0,0]=2 23 B7R0.7 CCOC(=O)NCO Q69358 [1,0,0,0,0,0|1,0,0]=2 24 B7R0.7 CCOC(=O)\C=C\[O-] I-9388 [1,0,0,0,0,0|0,0,3]=4 25 B9R0.6 CCNC(=O)C(N)C(C)C P42121 [0,1,0,0,0,0|2,0,0]=3 26 B9R0.6 CCOC(=O)C(Br)C(C)=O O32531 [0,1,0,0,0,0|0,0,2]=3 27 B9R0.34 CCOC(=O)C[C@@H](O)CCl P35219 [0,1,0,0,0,0|0,0,0]=1 28 B9R0.34 CCOC(=O)C[C@H](O)CCl P35666 [0,1,0,0,0,0|0,0,0]=1 29 B9R1.13 CC(O)CC1CCCN1 Q59227 [0,0,0,1,0,0|2,0,1]=4 30 B9R1.22 CCN1CC(O)CC1=O Q59306 [0,0,0,1,0,0|1,0,0]=2 31 B9R1.34 CC1CC(=O)CC(=O)N1 O29819 [0,0,0,1,0,0|1,0,2]=4 32 B9R1.34 CC1CC(=O)CC(=O)O1 H-8797 [0,0,0,1,0,0|0,0,2]=3 33 B9R1.34 CC1CC(=O)CC(C)N1 O29876 [0,0,0,1,0,0|2,0,0]=3 34 B9R1.34 CC1CC(=O)CC(C)O1 F-4696 [0,0,0,1,0,0|1,0,0]=2 35 B9R1.34 CC1CC(Br)CC(C)O1 Q57698 [0,0,0,1,0,0|2,0,1]=4 36 B9R1.34 CC1CC(N)CC(C)O1 Q54459 [0,0,0,1,0,0|2,0,1]=4 37 B9R1.34 C[C@@H]1CC(=O)C[C@@H](C)O1 Q55059 [0,0,0,1,0,0|1,0,0]=2 38 B9R1.34 C[C@@H]1CC(=O)C[C@@H](C)O1 Q55809 [0,0,0,1,0,0|1,0,0]=2 39 B9R1.34 C[C@@H]1C[C@H](O)C[C@H](C)C1 P45201 [0,0,0,1,0,0|2,0,1]=4 40 B9R1.34 C[C@H]1CC(=O)C[C@@H](C)N1 L13865 [0,0,0,1,0,0|2,0,0]=3 41 B9R1.34 C[C@H]1CC(=O)C[C@@H](C)N1 Q55528 [0,0,0,1,0,0|2,0,0]=3 42 B9R1.34 C[C@H]1CC(=O)C[C@@H](C)O1 L14381 [0,0,0,1,0,0|1,0,0]=2 43 B9R1.34 C[C@H]1CC(=O)C[C@H](C)O1 Q55060 [0,0,0,1,0,0|1,0,0]=2 44 B9R1.34 C[C@H]1CC(Br)C[C@@H](C)O1 Q57870 [0,0,0,1,0,0|2,0,1]=4 45 B9R1.34 C[C@H]1CC(N)C[C@@H](C)O1 Q61447 [0,0,0,1,0,0|2,0,1]=4 46 B9R1.34 C[C@H]1CC(O)C[C@H](C)N1 Q61338 [0,0,0,1,0,0|2,0,1]=4 47 B9R1.34 C[C@H]1C[C@@H](O)C[C@@H](C)N1 Q61337 [0,0,0,1,0,0|2,0,1]=4 48 B9R1.41 O=C(O)C1CCNC1=O F-4855 [0,0,0,1,0,0|2,0,1]=4 49 B9R1.41 O=C(O)[C@@H]1CCNC1=O Q55035 [0,0,0,1,0,0|2,0,1]=4 50 B9R1.41 O=C(O)[C@H]1CCNC1=O Q55036 [0,0,0,1,0,0|2,0,1]=4 51 B9R1.48 CC1CC(=O)NCCN1 G-6003 [0,0,0,1,0,0|2,0,0]=3 52 B9R1.48 NC1CCCNC(=O)C1 S72677 [0,0,0,1,0,0|2,0,0]=3 53 B9R1.48 O=C1CCCNC(=O)C1 M15285 [0,0,0,1,0,0|1,0,2]=4 54 B9R1.66 CC1(C)CC(=O)CCN1 O34587 [0,0,0,1,0,0|3,0,0]=4 55 B9R1.66 CC1(C)CC(=O)CCO1 F-4698 [0,0,0,1,0,0|3,0,0]=4 56 B9R1.66 CC1(C)COCC(=O)C1 Q61431 [0,0,0,1,0,0|3,0,0]=4 57 B9R1.66 CC1CC(C)(O)CCN1 Q65228 [0,0,0,1,0,0|2,0,1]=4 58 B9R1.66 O=C1CC(F)(F)CCN1 Q63587 [0,0,0,1,0,0|3,0,0]=4 59 B9R1.75 CCOC(=O)CC1CC1 L14011 [0,0,0,1,0,0|1,0,0]=2 60 B9R1.137 O=C(O)CC(=O)C1CC1 F-4421 [0,0,0,1,0,0|2,0,1]=4 61 B9R1.171 CC(O)CC1(O)CCC1 P46731 [0,0,0,1,0,0|1,0,2]=4 62 B9R1.183 CCOC(=O)C1N=C1C K16119 [0,0,0,1,0,0|1,0,1]=3 63 B7R0.5 CCOC(=O)C(=O)O P37044 [0,0,0,0,1,0|1,0,1]=3 64 B6R0.1 CCC(=O)CC#N P38761 [2,0,0,0,0,0|1,0,1]=4 65 B6R0.1 CCC(S)CCO O29430 [2,0,0,0,0,0|0,1,1]=4 66 B6R0.1 CCN(C)CCO Q66070 [2,0,0,0,0,0|2,0,0]=4 67 B6R0.1 CCNC(=O)CN P39222 [2,0,0,0,0,0|2,0,0]=4 68 B6R0.1 CCNC(=O)CO O31312 [2,0,0,0,0,0|1,0,0]=3 69 B6R0.1 CCNC(=O)NC M15284 [2,0,0,0,0,0|2,0,0]=4 70 B6R0.1 CCOC(=N)CCl P38507 [2,0,0,0,0,0|2,0,0]=4 71 B6R0.1 CNC(=O)CCCl P38167 [2,0,0,0,0,0|2,0,0]=4 72 B6R0.1 CNC(=O)CCN P37692 [2,0,0,0,0,0|2,0,0]=4 73 B6R0.1 CNCC(=O)NC P37691 [2,0,0,0,0,0|2,0,0]=4 74 B6R0.1 CNCC(=O)NC P38046 [2,0,0,0,0,0|2,0,0]=4 75 B6R0.2 CC(=O)NC(C)C P50955 [2,0,0,0,0,0|2,0,0]=4 76 B6R0.2 CC(C)C[C@@H](C)O Q70085 [2,0,0,0,0,0|1,0,1]=4 77 B6R0.2 CC(O)CC(=O)O P38963 [2,0,0,0,0,0|0,0,0]=2 78 B6R0.2 C[C@@H](N)CC(=O)O P38442 [2,0,0,0,0,0|1,0,0]=3 79 B6R0.2 C[C@@H](N)CC(=O)O Q68956 [2,0,0,0,0,0|1,0,0]=3 80 B6R0.2 C[C@@H](O)CC(=O)O P36990 [2,0,0,0,0,0|0,0,0]=2 81 B6R0.2 C[C@H](N)CC(=O)O P38443 [2,0,0,0,0,0|1,0,0]=3 82 B6R0.2 C[C@H](O)CC(=O)O P37046 [2,0,0,0,0,0|0,0,0]=2 83 B6R0.4 CNCCC(C)O P38146 [2,0,0,0,0,0|1,0,1]=4 84 B8R0.2 CNC(=O)C(N)C(C)C P40222 [1,1,0,0,0,0|2,0,0]=4 85 B8R0.2 CNC(=O)[C@@H](N)C(C)C Q66204 [1,1,0,0,0,0|2,0,0]=4 86 B8R0.23 CC(C)OC(=O)[C@@H](C)N P38334 [1,1,0,0,0,0|2,0,0]=4 87 B8R0.1 C=CCOC(=O)CCC Q69608 [1,1,0,0,0,0|0,0,1]=3 88 B8R0.1 CCC#CC(=O)OCC Q56870 [1,1,0,0,0,0|0,0,1]=3 89 B8R0.1 CCCNC(=O)CCN P42190 [1,1,0,0,0,0|2,0,0]=4 90 B8R0.1 CCCNC(=O)CNC P35278 [1,1,0,0,0,0|2,0,0]=4 91 B8R0.1 CCCNC(=O)CNC P42832 [1,1,0,0,0,0|2,0,0]=4 92 B8R0.1 CCOC(=O)CN=[N+]=[N-] P36907 [1,1,0,0,0,0|2,0,0]=4 93 B8R0.3 C=C(CO)C(=O)OCC F-4649 [1,1,0,0,0,0|0,0,1]=3 94 B8R0.3 CCOC(=O)C(C)CN P40244 [1,1,0,0,0,0|1,0,0]=3 95 B8R0.3 CCOC(=O)C(N)CC P37453 [1,1,0,0,0,0|0,0,0]=2 96 B8R0.3 CCOC(=O)C(O)CC P37661 [1,1,0,0,0,0|0,0,0]=2 97 B8R0.3 CCOC(=O)[C@@H](N)CC P35145 [1,1,0,0,0,0|0,0,0]=2 98 B8R0.3 CCOC(=O)[C@@H](N)CN P41065 [1,1,0,0,0,0|1,0,0]=3 99 B8R0.3 CCOC(=O)[C@H](N)CC P41834 [1,1,0,0,0,0|0,0,0]=2 100 B8R0.14 CCNC(=O)C(C)(C)N P42185 [0,1,0,0,1,0|2,0,0]=4 101 B8R0.14 CCNC(=O)C(C)(C)N P42279 [0,1,0,0,1,0|2,0,0]=4 102 B8R0.14 CCNC(=O)C(C)(C)O L20799 [0,1,0,0,1,0|1,0,0]=3 103 B8R0.14 CCOC(=O)C(C)(F)F P39038 [0,1,0,0,1,0|1,0,0]=3 104 B10R0.108 CCOC(=O)CCC(=O)CBr O30317 [0,1,0,0,0,1|0,0,2]=4 105 B10R0.101 CCOC(=O)C(C=O)C(C)C Q69373 [0,2,0,0,0,0|1,0,0]=3 106 B10R0.2 CCOC(=O)CC(=O)COC P36738 [0,2,0,0,0,0|0,0,2]=4 107 B8R1.1 COC1CCC(O)C1 Q57014 [1,0,0,1,0,0|1,0,1]=4 108 B8R1.1 CO[C@@H]1CC[C@@H](O)C1 Q56989 [1,0,0,1,0,0|1,0,1]=4 109 B8R1.1 CO[C@@H]1CC[C@H](O)C1 Q57013 [1,0,0,1,0,0|1,0,1]=4 110 B8R1.4 C=C1CCOC(C)C1 Q54980 [1,0,0,1,0,0|1,0,0]=3 111 B8R1.4 CC1=CCCC(=O)C1 O32064 [1,0,0,1,0,0|1,0,1]=4 112 B8R1.4 CC1CC(=O)CCN1 D-2514 [1,0,0,1,0,0|1,0,0]=3 113 B8R1.4 CC1CC(=O)CCO1 A-836 [1,0,0,1,0,0|0,0,0]=2 114 B8R1.4 CC1CC(Br)CCO1 Q57805 [1,0,0,1,0,0|1,0,1]=4 115 B8R1.4 CC1CC(N)CCO1 A-878 [1,0,0,1,0,0|1,0,1]=4 116 B8R1.4 CC1CC(O)CCO1 A-877 [1,0,0,1,0,0|0,0,2]=4 117 B8R1.4 CC1CCNC(=O)C1 L13355 [1,0,0,1,0,0|2,0,0]=4 118 B8R1.4 CN1CCCC(O)C1 C-3297 [1,0,0,1,0,0|2,0,0]=4 119 B8R1.4 CN1CCC[C@@H](O)C1 G-5242 [1,0,0,1,0,0|2,0,0]=4 120 B8R1.4 CN1CCC[C@H](O)C1 G-5243 [1,0,0,1,0,0|2,0,0]=4 121 B8R1.4 CN1CCOC(=O)C1 Q54674 [1,0,0,1,0,0|2,0,0]=4 122 B8R1.4 C[C@@H]1CC(=O)CCN1 G-7641 [1,0,0,1,0,0|1,0,0]=3 123 B8R1.4 C[C@@H]1CC(=O)CCO1 H-8404 [1,0,0,1,0,0|0,0,0]=2 124 B8R1.4 C[C@@H]1CCC[C@@H](O)C1 P45249 [1,0,0,1,0,0|1,0,1]=4 125 B8R1.4 C[C@@H]1CCC[C@@H](O)C1 P45891 [1,0,0,1,0,0|1,0,1]=4 126 B8R1.4 C[C@@H]1CCC[C@H](O)C1 P45486 [1,0,0,1,0,0|1,0,1]=4 127 B8R1.4 C[C@@H]1CCC[C@H](O)C1 P45892 [1,0,0,1,0,0|1,0,1]=4 128 B8R1.4 C[C@@H]1C[C@H](N)CCO1 Q61448 [1,0,0,1,0,0|1,0,1]=4 129 B8R1.4 C[C@H]1CC(=O)CCN1 G-6964 [1,0,0,1,0,0|1,0,0]=3 130 B8R1.4 C[C@H]1CC(=O)CCN1 G-7640 [1,0,0,1,0,0|1,0,0]=3 131 B8R1.4 C[C@H]1CC(=O)CCN1 Q61425 [1,0,0,1,0,0|1,0,0]=3 132 B8R1.4 C[C@H]1CC(=O)CCO1 A-837 [1,0,0,1,0,0|0,0,0]=2 133 B8R1.4 C[C@H]1CCC[C@@H](O)C1 P45893 [1,0,0,1,0,0|1,0,1]=4 134 B8R1.4 C[C@H]1CCC[C@H](O)C1 P45546 [1,0,0,1,0,0|1,0,1]=4 135 B8R1.4 NC1CCCC(=O)C1 P48005 [1,0,0,1,0,0|1,0,0]=3 136 B8R1.4 NC1CCCC(O)C1 F-4485 [1,0,0,1,0,0|1,0,1]=4 137 B8R1.4 NC1CCCC(O)C1 P51354 [1,0,0,1,0,0|1,0,1]=4 138 B8R1.4 NC1CCNC(=O)C1 C-2485 [1,0,0,1,0,0|2,0,0]=4 139 B8R1.4 NC1COCC(=O)C1 P46448 [1,0,0,1,0,0|2,0,0]=4 140 B8R1.4 NC1COCC(=O)C1 Q61511 [1,0,0,1,0,0|2,0,0]=4 141 B8R1.4 N[C@@H]1CCC[C@@H](O)C1 L14375 [1,0,0,1,0,0|1,0,1]=4 142 B8R1.4 N[C@@H]1CCC[C@@H](O)C1 P45284 [1,0,0,1,0,0|1,0,1]=4 143 B8R1.4 N[C@@H]1CCC[C@@H](O)C1 P46977 [1,0,0,1,0,0|1,0,1]=4 144 B8R1.4 N[C@@H]1CCC[C@H](O)C1 P44060 [1,0,0,1,0,0|1,0,1]=4 145 B8R1.4 N[C@H]1CCC[C@@H](O)C1 K10840 [1,0,0,1,0,0|1,0,1]=4 146 B8R1.4 N[C@H]1CCC[C@@H](O)C1 P44061 [1,0,0,1,0,0|1,0,1]=4 147 B8R1.4 N[C@H]1CCC[C@@H](O)C1 P45304 [1,0,0,1,0,0|1,0,1]=4 148 B8R1.4 N[C@H]1CCC[C@H](O)C1 O33050 [1,0,0,1,0,0|1,0,1]=4 149 B8R1.4 N[C@H]1CCC[C@H](O)C1 P45649 [1,0,0,1,0,0|1,0,1]=4 150 B8R1.4 O=C1CC(F)CCN1 Q54422 [1,0,0,1,0,0|2,0,0]=4 151 B8R1.4 O=C1CCCC(=O)C1 P44675 [1,0,0,1,0,0|0,0,2]=4 152 B8R1.4 O=C1CCCC(Br)C1 P45384 [1,0,0,1,0,0|1,0,0]=3 153 B8R1.4 O=C1CCCC(F)C1 P43987 [1,0,0,1,0,0|1,0,0]=3 154 B8R1.4 O=C1CCCC(O)C1 L18346 [1,0,0,1,0,0|0,0,0]=2 155 B8R1.4 O=C1CCC[C@H](O)C1 P47405 [1,0,0,1,0,0|0,0,0]=2 156 B8R1.4 O=C1CCOC(=O)C1 H-8796 [1,0,0,1,0,0|0,0,2]=4 157 B8R1.4 O=C1COCC(F)C1 Q54617 [1,0,0,1,0,0|2,0,0]=4 158 B8R1.4 O=C1COCC(O)C1 Q54616 [1,0,0,1,0,0|1,0,0]=3 159 B8R1.4 O=S1CCCC(Br)C1 Q57991 [1,0,0,1,0,0|2,0,0]=4 160 B8R1.18 CN1CC(N)CC1=O I-9643 [1,0,0,1,0,0|2,0,0]=4 161 B8R1.18 CN1CC(O)CC1=O Q59318 [1,0,0,1,0,0|1,0,0]=3 162 B8R1.31 CC(O)C1CCC1F P45994 [1,0,0,1,0,0|1,0,1]=4 163 B8R1.34 CC(O)CN1CCC1 P47869 [1,0,0,1,0,0|2,0,0]=4 164 B8R1.40 COC(=O)CC1CC1 G-7131 [1,0,0,1,0,0|1,0,0]=3 165 B8R1.51 CC1(C)CC(=O)CN1 Q56039 [1,0,0,1,0,0|2,0,0]=4 166 B8R1.51 CC1(C)CC(=O)CN1 Q56040 [1,0,0,1,0,0|2,0,0]=4 167 B8R1.51 CC1(C)CCC(=O)C1 L21292 [1,0,0,1,0,0|1,0,0]=3 168 B8R1.51 CC1(C)CCC(=O)N1 P43256 [1,0,0,1,0,0|2,0,0]=4 169 B8R1.51 CC1(C)CNC(=O)C1 P36730 [1,0,0,1,0,0|2,0,0]=4 170 B8R1.51 CC1(C)COC(=O)N1 C-3461 [1,0,0,1,0,0|2,0,0]=4 171 B8R1.51 CC1(O)CCC(N)C1 P50831 [1,0,0,1,0,0|1,0,1]=4 172 B8R1.51 CC1(O)CCC(N)C1 Q56519 [1,0,0,1,0,0|1,0,1]=4 173 B8R1.51 CC1(O)CNC(=O)C1 Q59288 [1,0,0,1,0,0|1,0,0]=3 174 B8R1.51 C[C@]1(O)CC[C@@H](N)C1 Q56976 [1,0,0,1,0,0|1,0,1]=4 175 B8R1.51 O=C1CCC(F)(F)C1 H-8755 [1,0,0,1,0,0|2,0,0]=4 176 B8R1.6 CCCN1CC(O)C1 P48468 [1,0,0,1,0,0|2,0,0]=4 177 B8R1.6 CCCN1CC(O)C1 P48737 [1,0,0,1,0,0|2,0,0]=4 178 B8R1.6 CCOC1CC(N)C1 L18168 [1,0,0,1,0,0|1,0,1]=4 179 B8R1.6 CCO[C@H]1C[C@@H](N)C1 L18169 [1,0,0,1,0,0|1,0,1]=4 180 B8R1.6 CCO[C@H]1C[C@@H](O)C1 P45783 [1,0,0,1,0,0|0,0,1]=3 181 B8R1.6 CCO[C@H]1C[C@H](N)C1 P43887 [1,0,0,1,0,0|1,0,1]=4 182 B8R1.6 CCO[C@H]1C[C@H](N)C1 P46453 [1,0,0,1,0,0|1,0,1]=4 183 B8R1.6 CCO[C@H]1C[C@H](O)C1 P45429 [1,0,0,1,0,0|0,0,1]=3 184 B8R1.7 CC(O)C1CCNC1 P41560 [1,0,0,1,0,0|1,0,1]=4 185 B8R1.7 CC(O)C1CCNC1 Q59351 [1,0,0,1,0,0|1,0,1]=4 186 B8R1.7 C[C@H](O)C1CCCC1 Q59154 [1,0,0,1,0,0|1,0,1]=4 187 B8R1.72 CC1(N)CCOCC1 G-6788 [1,0,0,1,0,0|1,0,1]=4 188 B8R1.72 CC1(N)CCOCC1 Q51895 [1,0,0,1,0,0|1,0,1]=4 189 B8R1.72 CC1(O)CCCNC1 A-831 [1,0,0,1,0,0|2,0,0]=4 190 B8R1.72 CC1(O)CCCNC1 M22629 [1,0,0,1,0,0|2,0,0]=4 191 B8R1.72 CC1(O)CCCOC1 Q65022 [1,0,0,1,0,0|2,0,0]=4 192 B8R1.72 CC1(O)CCNCC1 A-829 [1,0,0,1,0,0|1,0,1]=4 193 B8R1.72 CC1(O)CCOCC1 P36263 [1,0,0,1,0,0|0,0,1]=3 194 B8R1.72 C[C@@]1(O)CCCNC1 Q65190 [1,0,0,1,0,0|2,0,0]=4 195 B8R1.72 C[C@]1(O)CCCNC1 P44137 [1,0,0,1,0,0|2,0,0]=4 196 B8R1.11 CNC1CCNC1=O L20781 [1,0,0,1,0,0|2,0,0]=4 197 B8R1.11 O=C1NCCC1CO L13115 [1,0,0,1,0,0|1,0,0]=3 198 B8R1.37 CCCC(=O)C1CC1 P45338 [1,0,0,1,0,0|1,0,0]=3 199 B8R1.5 CC1CCCNC1=O L13669 [0,0,0,1,1,0|2,0,0]=4 200 B8R1.5 CC1NCCNC1=O O34501 [0,0,0,1,1,0|2,0,0]=4 201 B8R1.5 C[C@@H]1NCCNC1=O O34331 [0,0,0,1,1,0|2,0,0]=4 202 B8R1.5 C[C@H]1NCCNC1=O O34330 [0,0,0,1,1,0|2,0,0]=4 203 B8R1.5 NC1CCCCC1=O P45934 [0,0,0,1,1,0|2,0,0]=4 204 B8R1.5 N[C@@H]1CCCNC1=O O34375 [0,0,0,1,1,0|2,0,0]=4 205 B8R1.5 N[C@H]1CCCNC1=O O34462 [0,0,0,1,1,0|2,0,0]=4 206 B8R1.5 O=C1CCCCC1Br L21639 [0,0,0,1,1,0|2,0,0]=4 207 B8R1.5 O=C1CCCCC1F P45307 [0,0,0,1,1,0|2,0,0]=4 208 B8R1.5 O=C1NCCCC1Br L18696 [0,0,0,1,1,0|2,0,0]=4 209 B8R1.5 O=C1NCCC[C@@H]1O P36280 [0,0,0,1,1,0|1,0,0]=3 210 B8R1.5 O=C1NCCC[C@H]1O P39619 [0,0,0,1,1,0|1,0,0]=3 211 B8R1.5 O=C1OCCCC1Br L20669 [0,0,0,1,1,0|1,0,0]=3 212 B8R1.54 CC(Br)C(=O)C1CC1 L14735 [0,0,0,1,1,0|2,0,0]=4 213 B10R1.30 CCC1CC(C)CCC1=O Q59559 [0,0,0,1,0,1|2,0,0]=4 214 B10R1.138 CCOC(=O)\C=C\C1CC1 P37267 [0,0,0,1,0,1|1,0,1]=4 215 B10R1.140 CCOC(=O)C1CC(Br)C1 O33570 [0,0,0,1,0,1|1,0,0]=3 216 B10R1.140 CCOC(=O)C1CC(F)C1 P47878 [0,0,0,1,0,1|1,0,0]=3 217 B10R1.140 CCOC(=O)C1CC(I)C1 P34763 [0,0,0,1,0,1|1,0,0]=3 218 B10R1.140 CCOC(=O)C1CC(N)C1 P41473 [0,0,0,1,0,1|1,0,0]=3 219 B10R1.140 CCOC(=O)C1CC(N)C1 P45251 [0,0,0,1,0,1|1,0,0]=3 220 B10R1.140 CCOC(=O)C1CC(O)C1 A-432 [0,0,0,1,0,1|0,0,0]=2 221 B10R1.140 CCOC(=O)C1CC(O)C1 F-4148 [0,0,0,1,0,1|0,0,0]=2 222 B10R1.140 CCOC(=O)C1CC(O)C1 F-4149 [0,0,0,1,0,1|0,0,0]=2 223 B10R1.140 CCOC(=O)N1CC(N)C1 P47804 [0,0,0,1,0,1|1,0,0]=3 224 B10R1.140 CCOC(=O)N1CC(N)C1 P48729 [0,0,0,1,0,1|1,0,0]=3 225 B10R1.140 CCOC(=O)[C@@H]1CC(=O)O1 Q54790 [0,0,0,1,0,1|0,0,2]=4 226 B10R1.140 CCOC(=O)[C@H]1CC(=O)O1 Q54791 [0,0,0,1,0,1|0,0,2]=4 227 B10R1.140 CCOC(=O)[C@H]1C[C@@H](N)C1 P44311 [0,0,0,1,0,1|1,0,0]=3 228 B10R1.140 CCOC(=O)[C@H]1C[C@H](N)C1 P44717 [0,0,0,1,0,1|1,0,0]=3 229 B10R1.140 CCOC(=O)[C@H]1C[C@H](N)C1 P44719 [0,0,0,1,0,1|1,0,0]=3 230 B10R1.8 C(=O)C1C[C@H](C)O[C@H](C)C1 Q64373 [0,1,0,1,0,0|1,0,1]=4 231 B10R1.8 CC1CC(C=O)CC(C)O1 Q60447 [0,1,0,1,0,0|1,0,1]=4 232 B10R1.139 CCOC(=O)C1OCC1=O Q54749 [0,1,0,1,0,0|0,0,2]=4 233 B10R1.212 CCOC(=O)C(=O)C1CC1 K12409 [0,1,0,1,0,0|1,0,1]=4 234 B10R1.212 CCOC(=O)C(Br)C1CC1 F-4120 [0,1,0,1,0,0|1,0,0]=3 235 B10R1.135 CCOC(=O)C1CC1C#N L22365 [0,1,0,1,0,0|1,0,0]=3 236 B10R1.135 CCOC(=O)C1CC1CO L14731 [0,1,0,1,0,0|0,0,0]=2 237 B10R1.135 CCOC(=O)[C@@H]1C[C@@H]1C#N L14845 [0,1,0,1,0,0|1,0,0]=3 238 B10R1.135 CCOC(=O)[C@@H]1C[C@H]1C#N L22329 [0,1,0,1,0,0|1,0,0]=3 239 B10R1.137 CCOC(=O)C=C1COC1 C-2936 [0,1,0,1,0,0|0,0,2]=4 240 B10R1.137 CCOC(=O)CC1CCC1 O32497 [0,1,0,1,0,0|1,0,0]=3 241 B10R1.137 CCOC(=O)CC1CNC1 P36470 [0,1,0,1,0,0|1,0,0]=3 242 B10R1.137 CCOC(=O)CC1COC1 P42298 [0,1,0,1,0,0|0,0,0]=2 243 B10R1.149 COC(=O)C1CCOC1=O F-4241 [0,1,0,1,0,0|0,0,2]=4 244 B10R1.181 CCOC(=O)CC1(N)CC1 L14723 [0,1,0,1,0,0|1,0,0]=3 245 B10R1.329 CC1(C)CC(=O)CC(=O)O1 H-8798 [0,1,0,1,0,0|0,0,2]=4 246 B10R1.329 CC1CC(=O)CC(C)(C)C1 P44666 [0,1,0,1,0,0|2,0,0]=4 247 B10R1.310 CC1(C)OC(=O)C1C(=O)O Q62640 [0,1,0,1,0,0|1,0,1]=4 248 B10R2.61 O=C1CC2CCCC1N2 P46614 [0,0,0,2,0,0|2,0,0]=4 249 B10R2.61 O=C1CC2CCCC1N2 P50750 [0,0,0,2,0,0|2,0,0]=4 250 B10R2.71 O=C1CC2CCC(C1)C2 G-7015 [0,0,0,2,0,0|2,0,0]=4 251 B10R2.71 O=C1CC2CCC(C1)N2 C-3492 [0,0,0,2,0,0|2,0,0]=4 252 B10R2.71 O=C1CC2CCC(C1)O2 G-6882 [0,0,0,2,0,0|1,0,0]=3 253 B10R2.71 O=C1CC2CNC(C1)C2 P48499 [0,0,0,2,0,0|2,0,0]=4 254 B10R2.71 OC1CC2CCC(C1)O2 P49665 [0,0,0,2,0,0|1,0,1]=4 255 B10R2.71 [C@H]12CC[C@H](C[C@@H](O)C1)O2 L21419 [0,0,0,2,0,0|1,0,1]=4 256 B10R2.71 [C@H]12CC[C@H](C[C@H](O)C1)O2 L21421 [0,0,0,2,0,0|1,0,1]=4 257 B10R2.177 CC12CC(=O)CCC1C2 Q57147 [0,0,0,2,0,0|2,0,0]=4 258 B10R2.179 CC12CCCC(=O)C1C2 Q52396 [0,0,0,2,0,0|2,0,0]=4 259 B10R2.534 O=C1CCCC2(CC2)C1 L22282 [0,0,0,2,0,0|2,0,0]=4 260 B10R2.485 O=C(CC1CC1)C2CC2 L14117 [0,0,0,2,0,0|2,0,0]=4 261 B10R2.659 CCOC(=O)C12CC1C2 Q54348 [0,0,0,2,0,0|1,0,0]=3 262 B6R0.3 CCC(N)C(C)O L20519 [1,0,0,0,1,0|1,0,1]=4 263 B6R0.3 CNC(=O)C(C)N P38407 [1,0,0,0,1,0|2,0,0]=4 264 B6R0.3 CNC(=O)[C@@H](C)N P37080 [1,0,0,0,1,0|2,0,0]=4 265 B6R0.3 CNC(=O)[C@H](C)N P37082 [1,0,0,0,1,0|2,0,0]=4 266 B10R0.3 CCOC(=O)CCCC(C)=O K13405 [0,0,0,0,0,2|0,0,2]=4