0 B7R0.4 CC(=O)NCCCN P38199 [0,0,0,0,0,0|2,0,0]=2 1 B7R0.4 CNCCNC(C)=O P41559 [0,0,0,0,0,0|2,0,0]=2 2 B7R0.4 COCCCC(=O)O P39031 [0,0,0,0,0,0|3,0,0]=3 3 B7R0.4 NCCNCC(=O)O O28634 [0,0,0,0,0,0|4,0,0]=4 4 B7R0.4 NCCOCC(=O)O P35961 [0,0,0,0,0,0|4,0,0]=4 5 B6R0.4 C#CCNC(C)=O P36776 [1,0,0,0,0,0|1,0,2]=4 6 B6R0.4 C#CCOC(N)=O O30954 [1,0,0,0,0,0|1,0,2]=4 7 B6R0.4 CCNCC(=O)O P37534 [1,0,0,0,0,0|2,0,0]=3 8 B6R0.4 CCNCC(N)=O P36580 [1,0,0,0,0,0|2,0,0]=3 9 B6R0.4 CN(C)CCCBr O34500 [1,0,0,0,0,0|3,0,0]=4 10 B6R0.4 CNCCC(=O)O P36779 [1,0,0,0,0,0|2,0,0]=3 11 B6R0.4 CNCCC(=O)O P39205 [1,0,0,0,0,0|2,0,0]=3 12 B6R0.4 CNCCC(C)O P38146 [1,0,0,0,0,0|1,0,2]=4 13 B6R0.4 CNCCC(N)=O P37896 [1,0,0,0,0,0|2,0,0]=3 14 B6R0.6 CNCCCCN L19491 [1,0,0,0,0,0|3,0,0]=4 15 B6R0.6 CNCCCOC P37437 [1,0,0,0,0,0|3,0,0]=4 16 B6R0.6 COCCCCN O29739 [1,0,0,0,0,0|3,0,0]=4 17 B8R0.5 CCCC(=O)CC(C)=O O29704 [0,1,0,0,0,0|1,0,1]=3 18 B8R0.5 COCC(O)CC(=O)O F-4460 [0,1,0,0,0,0|3,0,0]=4 19 B8R0.6 CNCCCC(=O)OC H-8710 [0,1,0,0,0,0|2,0,0]=3 20 B8R0.6 COC(=O)CCCCN P38983 [0,1,0,0,0,0|2,0,0]=3 21 B8R0.7 C#CCCCCC(=O)O P38906 [0,1,0,0,0,0|2,0,1]=4 22 B8R0.7 CCNCCCN(C)C G-7104 [0,1,0,0,0,0|3,0,0]=4 23 B8R0.7 CN(C)CCCCCN P38845 [0,1,0,0,0,0|3,0,0]=4 24 B8R0.7 CNCCCCC(=O)O P35932 [0,1,0,0,0,0|2,0,0]=3 25 B8R0.7 CNCCCNC(C)=O P37409 [0,1,0,0,0,0|1,0,0]=2 26 B8R0.7 NCCCCNC(N)=O L20055 [0,1,0,0,0,0|2,0,0]=3 27 B8R0.7 NCCOCCC(=O)O P41214 [0,1,0,0,0,0|3,0,0]=4 28 B8R0.8 CC(=O)N(C)CCCN P35843 [0,1,0,0,0,0|2,0,0]=3 29 B8R0.8 C[Se]CC[C@H](N)C(=O)O P38844 [0,1,0,0,0,0|3,0,0]=4 30 B8R0.8 N[C@H](CCCO)C(=O)O P37057 [0,1,0,0,0,0|3,0,0]=4 31 B8R0.9 CCC(C)OCC(=O)O P34749 [0,1,0,0,0,0|3,0,0]=4 32 B8R0.9 COC(=O)CNC(C)=O P42621 [0,1,0,0,0,0|2,0,1]=4 33 B8R0.21 C#CCCOS(C)(=O)=O P36412 [0,1,0,0,0,0|1,0,2]=4 34 B8R0.21 CCCCCS(N)(=O)=O P44483 [0,1,0,0,0,0|3,0,0]=4 35 B8R0.21 CCCCNP(N)(N)=O O29921 [0,1,0,0,0,0|3,0,0]=4 36 B8R0.21 CS(=O)(=O)NCCCN P35493 [0,1,0,0,0,0|3,0,0]=4 37 B8R0.21 C[Si](C)(C)OCCCN L20530 [0,1,0,0,0,0|2,1,0]=4 38 B8R0.28 CC(=O)\C=C\CC(C)C O31440 [0,1,0,0,0,0|1,0,1]=3 39 B8R0.28 CC(C)CNCC(=O)O P38861 [0,1,0,0,0,0|3,0,0]=4 40 B8R1.1 C=CC1CCC(=O)C1 Q57034 [0,0,0,1,0,0|1,0,2]=4 41 B8R1.1 C=CC1COC(=O)C1 F-4407 [0,0,0,1,0,0|0,0,2]=3 42 B8R1.1 CCC1CCC(C)N1 Q59319 [0,0,0,1,0,0|2,0,1]=4 43 B8R1.1 CNC1CNC(=O)C1 L19088 [0,0,0,1,0,0|2,0,0]=3 44 B8R1.1 CN[C@H]1CNC(=O)C1 Q61671 [0,0,0,1,0,0|2,0,0]=3 45 B8R1.1 N#CC1CNC(=O)C1 P45137 [0,0,0,1,0,0|2,0,1]=4 46 B8R1.1 N#C[C@@H]1CCC(=O)C1 Q55084 [0,0,0,1,0,0|2,0,1]=4 47 B8R1.1 N#C[C@H]1CCC(=O)C1 Q55085 [0,0,0,1,0,0|2,0,1]=4 48 B8R1.1 NCC1CNC(=O)C1 G-5016 [0,0,0,1,0,0|2,0,0]=3 49 B8R1.1 NCC1CNC(=O)C1 G-5352 [0,0,0,1,0,0|2,0,0]=3 50 B8R1.1 NCC1CNC(=O)O1 F-4726 [0,0,0,1,0,0|3,0,0]=4 51 B8R1.1 NCC1CNC(=O)O1 L13152 [0,0,0,1,0,0|3,0,0]=4 52 B8R1.1 NCC1COC(=O)N1 L13942 [0,0,0,1,0,0|2,0,0]=3 53 B8R1.1 NC[C@@H]1CCC(=O)N1 10036 [0,0,0,1,0,0|3,0,0]=4 54 B8R1.1 NC[C@@H]1CCC(=O)N1 O33611 [0,0,0,1,0,0|3,0,0]=4 55 B8R1.1 NC[C@@H]1CNC(=O)C1 I-9821 [0,0,0,1,0,0|2,0,0]=3 56 B8R1.1 NC[C@@H]1CNC(=O)C1 L13273 [0,0,0,1,0,0|2,0,0]=3 57 B8R1.1 NC[C@@H]1CNC(=O)O1 L13195 [0,0,0,1,0,0|3,0,0]=4 58 B8R1.1 NC[C@H]1CCC(=O)N1 10096 [0,0,0,1,0,0|3,0,0]=4 59 B8R1.1 NC[C@H]1CNC(=O)C1 I-9497 [0,0,0,1,0,0|2,0,0]=3 60 B8R1.1 NC[C@H]1CNC(=O)C1 L13364 [0,0,0,1,0,0|2,0,0]=3 61 B8R1.1 NC[C@H]1CNC(=O)O1 L22235 [0,0,0,1,0,0|3,0,0]=4 62 B8R1.1 O=C1CC(CO)CN1 M22864 [0,0,0,1,0,0|2,0,0]=3 63 B8R1.1 O=C1CC(CO)CO1 H-8701 [0,0,0,1,0,0|1,0,0]=2 64 B8R1.1 O=C1CCC(CO)C1 Q62791 [0,0,0,1,0,0|2,0,0]=3 65 B8R1.1 O=C1CCC(CO)N1 M23573 [0,0,0,1,0,0|3,0,0]=4 66 B8R1.1 O=C1CC[C@@H](CBr)C1 Q64130 [0,0,0,1,0,0|2,0,0]=3 67 B8R1.1 O=C1CC[C@@H](CBr)N1 P36413 [0,0,0,1,0,0|3,0,0]=4 68 B8R1.1 O=C1CC[C@@H](CF)N1 Q59250 [0,0,0,1,0,0|3,0,0]=4 69 B8R1.1 O=C1CC[C@@H](CO)C1 Q62794 [0,0,0,1,0,0|2,0,0]=3 70 B8R1.1 O=C1CC[C@@H](CO)O1 K12361 [0,0,0,1,0,0|3,0,0]=4 71 B8R1.1 O=C1CC[C@H](CBr)C1 Q64129 [0,0,0,1,0,0|2,0,0]=3 72 B8R1.1 O=C1CC[C@H](CBr)N1 P34760 [0,0,0,1,0,0|3,0,0]=4 73 B8R1.1 O=C1CC[C@H](CO)C1 Q62792 [0,0,0,1,0,0|2,0,0]=3 74 B8R1.1 O=C1NCC(CO)O1 F-4693 [0,0,0,1,0,0|3,0,0]=4 75 B8R1.1 O=C1NC[C@@H](CO)O1 L13350 [0,0,0,1,0,0|3,0,0]=4 76 B8R1.1 O=C1N[C@@H](CI)CO1 10034 [0,0,0,1,0,0|2,0,0]=3 77 B8R1.1 O=C1N[C@@H](CO)CO1 10001 [0,0,0,1,0,0|2,0,0]=3 78 B8R1.1 O=C1N[C@@H](CO)CS1 K13391 [0,0,0,1,0,0|2,1,0]=4 79 B8R1.1 O=C1N[C@H](CO)CO1 10026 [0,0,0,1,0,0|2,0,0]=3 80 B8R1.1 O=C1N[C@H](CO)CS1 K13390 [0,0,0,1,0,0|2,1,0]=4 81 B8R1.4 C=C1CCOC(C)C1 Q54980 [0,0,0,1,0,0|3,0,0]=4 82 B8R1.4 CC1=CCCC(=O)C1 O32064 [0,0,0,1,0,0|1,0,2]=4 83 B8R1.4 CC1CC(=O)CCN1 D-2514 [0,0,0,1,0,0|2,0,0]=3 84 B8R1.4 CC1CC(=O)CCO1 A-836 [0,0,0,1,0,0|2,0,0]=3 85 B8R1.4 CC1CC(Br)CCO1 Q57805 [0,0,0,1,0,0|2,0,1]=4 86 B8R1.4 CC1CC(N)CCO1 A-878 [0,0,0,1,0,0|2,0,1]=4 87 B8R1.4 CC1CC(O)CCO1 A-877 [0,0,0,1,0,0|2,0,1]=4 88 B8R1.4 CC1CCNC(=O)C1 L13355 [0,0,0,1,0,0|1,0,0]=2 89 B8R1.4 CN1CCC=C(Br)C1 M23512 [0,0,0,1,0,0|3,0,0]=4 90 B8R1.4 CN1CCOC(=O)C1 Q54674 [0,0,0,1,0,0|1,0,0]=2 91 B8R1.4 C[C@@H]1CC(=O)CCN1 G-7641 [0,0,0,1,0,0|2,0,0]=3 92 B8R1.4 C[C@@H]1CC(=O)CCO1 H-8404 [0,0,0,1,0,0|2,0,0]=3 93 B8R1.4 C[C@@H]1CCC[C@@H](C)N1 Q65231 [0,0,0,1,0,0|2,0,1]=4 94 B8R1.4 C[C@@H]1CCC[C@@H](C)N1 Q65232 [0,0,0,1,0,0|2,0,1]=4 95 B8R1.4 C[C@@H]1CCC[C@@H](N)C1 P49440 [0,0,0,1,0,0|2,0,1]=4 96 B8R1.4 C[C@@H]1CCC[C@@H](O)C1 P45249 [0,0,0,1,0,0|1,0,2]=4 97 B8R1.4 C[C@@H]1CCC[C@@H](O)C1 P45891 [0,0,0,1,0,0|1,0,2]=4 98 B8R1.4 C[C@@H]1CCC[C@H](N)C1 P45362 [0,0,0,1,0,0|2,0,1]=4 99 B8R1.4 C[C@@H]1CCC[C@H](N)C1 P49441 [0,0,0,1,0,0|2,0,1]=4 100 B8R1.4 C[C@@H]1CCC[C@H](O)C1 P45486 [0,0,0,1,0,0|1,0,2]=4 101 B8R1.4 C[C@@H]1CCC[C@H](O)C1 P45892 [0,0,0,1,0,0|1,0,2]=4 102 B8R1.4 C[C@@H]1CNCC(=O)N1 L13903 [0,0,0,1,0,0|3,0,0]=4 103 B8R1.4 C[C@@H]1C[C@H](N)CCO1 Q61448 [0,0,0,1,0,0|2,0,1]=4 104 B8R1.4 C[C@H]1CC(=O)CCN1 G-6964 [0,0,0,1,0,0|2,0,0]=3 105 B8R1.4 C[C@H]1CC(=O)CCN1 G-7640 [0,0,0,1,0,0|2,0,0]=3 106 B8R1.4 C[C@H]1CC(=O)CCN1 Q61425 [0,0,0,1,0,0|2,0,0]=3 107 B8R1.4 C[C@H]1CC(=O)CCO1 A-837 [0,0,0,1,0,0|2,0,0]=3 108 B8R1.4 C[C@H]1CCC[C@@H](N)C1 P45360 [0,0,0,1,0,0|2,0,1]=4 109 B8R1.4 C[C@H]1CCC[C@@H](O)C1 P45893 [0,0,0,1,0,0|1,0,2]=4 110 B8R1.4 C[C@H]1CCC[C@H](C)N1 Q65229 [0,0,0,1,0,0|2,0,1]=4 111 B8R1.4 C[C@H]1CCC[C@H](C)N1 Q65230 [0,0,0,1,0,0|2,0,1]=4 112 B8R1.4 C[C@H]1CCC[C@H](N)C1 P45361 [0,0,0,1,0,0|2,0,1]=4 113 B8R1.4 C[C@H]1CCC[C@H](O)C1 P45546 [0,0,0,1,0,0|1,0,2]=4 114 B8R1.4 C[C@H]1CNCC(=O)N1 G-7098 [0,0,0,1,0,0|3,0,0]=4 115 B8R1.4 C[C@H]1CNCC(=O)N1 H-8010 [0,0,0,1,0,0|3,0,0]=4 116 B8R1.4 NC1CCCC(=O)C1 P48005 [0,0,0,1,0,0|2,0,0]=3 117 B8R1.4 NC1CCNC(=O)C1 C-2485 [0,0,0,1,0,0|2,0,0]=3 118 B8R1.4 NC1COCC(=O)C1 P46448 [0,0,0,1,0,0|3,0,0]=4 119 B8R1.4 NC1COCC(=O)C1 Q61511 [0,0,0,1,0,0|3,0,0]=4 120 B8R1.4 O=C1CC(F)CCN1 Q54422 [0,0,0,1,0,0|2,0,0]=3 121 B8R1.4 O=C1CCCC(=O)C1 P44675 [0,0,0,1,0,0|2,0,1]=4 122 B8R1.4 O=C1CCCC(Br)C1 P45384 [0,0,0,1,0,0|2,0,0]=3 123 B8R1.4 O=C1CCCC(F)C1 P43987 [0,0,0,1,0,0|2,0,0]=3 124 B8R1.4 O=C1CCCC(O)C1 L18346 [0,0,0,1,0,0|2,0,0]=3 125 B8R1.4 O=C1CCC[C@H](O)C1 P47405 [0,0,0,1,0,0|2,0,0]=3 126 B8R1.4 O=C1CCNC(=O)C1 B-1275 [0,0,0,1,0,0|2,0,1]=4 127 B8R1.4 O=C1CCOC(=O)C1 H-8796 [0,0,0,1,0,0|1,0,1]=3 128 B8R1.4 O=C1COCC(F)C1 Q54617 [0,0,0,1,0,0|3,0,0]=4 129 B8R1.4 O=C1COCC(O)C1 Q54616 [0,0,0,1,0,0|3,0,0]=4 130 B8R1.4 O=S1CCCC(Br)C1 Q57991 [0,0,0,1,0,0|3,0,0]=4 131 B8R1.6 CCCC1CC(=O)C1 P45457 [0,0,0,1,0,0|1,0,0]=2 132 B8R1.6 CCOC1CC(=O)C1 P45782 [0,0,0,1,0,0|2,0,0]=3 133 B8R1.6 COCC1CC(=O)C1 P42770 [0,0,0,1,0,0|2,0,0]=3 134 B8R1.6 N#CCC1CC(=O)C1 L18034 [0,0,0,1,0,0|2,0,1]=4 135 B8R1.7 CC(=O)C1CCCN1 P37169 [0,0,0,1,0,0|2,0,0]=3 136 B8R1.7 CC(=O)C1CCCN1 Q61985 [0,0,0,1,0,0|2,0,0]=3 137 B8R1.7 CC(=O)C1CCNC1 O31491 [0,0,0,1,0,0|2,0,0]=3 138 B8R1.7 CC(=O)C1NCCS1 M15825 [0,0,0,1,0,0|3,0,0]=4 139 B8R1.7 CC(=O)[C@@H]1CCCN1 Q61986 [0,0,0,1,0,0|2,0,0]=3 140 B8R1.7 CC(=O)[C@@H]1CCCN1 Q62844 [0,0,0,1,0,0|2,0,0]=3 141 B8R1.7 CC(=O)[C@H]1CCCN1 Q62845 [0,0,0,1,0,0|2,0,0]=3 142 B8R1.7 CC(N)C1CCCC1 O30449 [0,0,0,1,0,0|2,0,1]=4 143 B8R1.7 CC(N)C1CCCC1 O33618 [0,0,0,1,0,0|2,0,1]=4 144 B8R1.7 C[C@H](N)C1CCCC1 Q59148 [0,0,0,1,0,0|2,0,1]=4 145 B8R1.7 C[C@H](O)C1CCCC1 Q59154 [0,0,0,1,0,0|1,0,2]=4 146 B8R1.7 NC(=O)C1CCCC1 P38833 [0,0,0,1,0,0|2,0,0]=3 147 B8R1.7 NC(=O)C1CCCN1 P39079 [0,0,0,1,0,0|3,0,0]=4 148 B8R1.7 NC(=O)C1CCCN1 P42514 [0,0,0,1,0,0|3,0,0]=4 149 B8R1.7 NC(=O)C1CCNC1 G-5260 [0,0,0,1,0,0|3,0,0]=4 150 B8R1.7 NC(=O)C1CCOC1 G-6625 [0,0,0,1,0,0|3,0,0]=4 151 B8R1.7 NC(=O)[C@@H]1CCCN1 I-9393 [0,0,0,1,0,0|3,0,0]=4 152 B8R1.7 NC(=O)[C@@H]1CCCN1 P45231 [0,0,0,1,0,0|3,0,0]=4 153 B8R1.7 NC(=O)[C@@H]1CCNC1 G-5262 [0,0,0,1,0,0|3,0,0]=4 154 B8R1.7 NC(=O)[C@@H]1CCNC1 G-7539 [0,0,0,1,0,0|3,0,0]=4 155 B8R1.7 NC(=O)[C@H]1CCNC1 G-5261 [0,0,0,1,0,0|3,0,0]=4 156 B8R1.7 NC(=O)[C@H]1CCNC1 Q51836 [0,0,0,1,0,0|3,0,0]=4 157 B8R1.7 O=C(O)C1CCNC1 G-5249 [0,0,0,1,0,0|3,0,0]=4 158 B8R1.7 O=C(O)C1CCOC1 C-3386 [0,0,0,1,0,0|3,0,0]=4 159 B8R1.7 O=C(O)[C@@H]1CCCN1 L13796 [0,0,0,1,0,0|3,0,0]=4 160 B8R1.7 O=C(O)[C@@H]1CCNC1 L18435 [0,0,0,1,0,0|3,0,0]=4 161 B8R1.7 O=C(O)[C@@H]1CCNC1 Q51834 [0,0,0,1,0,0|3,0,0]=4 162 B8R1.7 O=C(O)[C@@H]1CCOC1 C-2786 [0,0,0,1,0,0|3,0,0]=4 163 B8R1.7 O=C(O)[C@H]1CCNC1 G-5250 [0,0,0,1,0,0|3,0,0]=4 164 B8R1.7 O=C(O)[C@H]1CCNC1 P45277 [0,0,0,1,0,0|3,0,0]=4 165 B8R1.7 O=C(O)[C@H]1CCOC1 C-2785 [0,0,0,1,0,0|3,0,0]=4 166 B8R1.20 CC1CC1CC(=O)O O29360 [0,0,0,1,0,0|2,0,0]=3 167 B8R1.22 BrC1CCCCCC1 P39447 [0,0,0,1,0,0|2,0,1]=4 168 B8R1.22 O=C1CCCNCC1 A-576 [0,0,0,1,0,0|2,0,0]=3 169 B8R1.22 O=C1CCNCCN1 Q52595 [0,0,0,1,0,0|2,0,0]=3 170 B8R1.22 O=C1CNCCCN1 O34379 [0,0,0,1,0,0|2,0,0]=3 171 B8R1.22 O=C1CNCCNC1 P46870 [0,0,0,1,0,0|3,0,0]=4 172 B8R1.31 CC(=O)[C@@H]1CC[C@H]1C P50610 [0,0,0,1,0,0|1,0,0]=2 173 B8R1.31 CC(=O)[C@H]1CC[C@H]1C P45662 [0,0,0,1,0,0|1,0,0]=2 174 B8R1.31 CC1CCC1C(=O)O P45629 [0,0,0,1,0,0|2,0,0]=3 175 B8R1.31 CC1NCC1C(=O)O L22133 [0,0,0,1,0,0|3,0,0]=4 176 B8R1.31 CN1CCC1C(=O)O P49637 [0,0,0,1,0,0|3,0,0]=4 177 B8R1.31 CN1CC[C@@H]1C(=O)O H-8820 [0,0,0,1,0,0|3,0,0]=4 178 B8R1.31 CN1CC[C@H]1C(=O)O H-8821 [0,0,0,1,0,0|3,0,0]=4 179 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O L14485 [0,0,0,1,0,0|3,0,0]=4 180 B8R1.31 C[C@@H]1NC[C@H]1C(=O)O P50093 [0,0,0,1,0,0|3,0,0]=4 181 B8R1.31 C[C@H]1NC[C@@H]1C(=O)O K13449 [0,0,0,1,0,0|3,0,0]=4 182 B8R1.31 NC(=O)C1CCC1N F-4228 [0,0,0,1,0,0|3,0,0]=4 183 B8R1.31 NC1CCC1C(=O)O P47809 [0,0,0,1,0,0|3,0,0]=4 184 B8R1.31 N[C@@H]1CC[C@@H]1C(=O)O P45363 [0,0,0,1,0,0|3,0,0]=4 185 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O L13901 [0,0,0,1,0,0|3,0,0]=4 186 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O P44744 [0,0,0,1,0,0|3,0,0]=4 187 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O P45102 [0,0,0,1,0,0|3,0,0]=4 188 B8R1.31 N[C@H]1CC[C@H]1C(=O)O L21391 [0,0,0,1,0,0|3,0,0]=4 189 B8R1.31 N[C@H]1CC[C@H]1C(=O)O P45103 [0,0,0,1,0,0|3,0,0]=4 190 B8R1.31 N[C@H]1CC[C@H]1C(=O)O Q53487 [0,0,0,1,0,0|3,0,0]=4 191 B8R1.31 O=C(O)C1CCC1F P47126 [0,0,0,1,0,0|3,0,0]=4 192 B8R1.31 O=C(O)C1CCC1O P49194 [0,0,0,1,0,0|3,0,0]=4 193 B8R1.31 O=C(O)[C@H]1CC[C@@H]1O P48368 [0,0,0,1,0,0|3,0,0]=4 194 B8R1.34 CC(=O)C=C1CNC1 P46729 [0,0,0,1,0,0|2,0,1]=4 195 B8R1.34 CC(=O)CC1CCC1 P48892 [0,0,0,1,0,0|1,0,0]=2 196 B8R1.34 CC(=O)NC1CNC1 G-5840 [0,0,0,1,0,0|2,0,0]=3 197 B8R1.34 CC(=O)NC1CNC1 P44173 [0,0,0,1,0,0|2,0,0]=3 198 B8R1.34 CC(=O)OC1CNC1 P42388 [0,0,0,1,0,0|1,0,0]=2 199 B8R1.34 CC(=O)SC1CNC1 C-3406 [0,0,0,1,0,0|1,1,0]=3 200 B8R1.34 CC(=O)SC1CNC1 P50614 [0,0,0,1,0,0|1,1,0]=3 201 B8R1.34 CC(C)=CN1CCC1 P45148 [0,0,0,1,0,0|3,0,0]=4 202 B8R1.34 CC(C)NC1CCC1 P48786 [0,0,0,1,0,0|2,0,1]=4 203 B8R1.34 CC(C)NC1CCC1 P49134 [0,0,0,1,0,0|2,0,1]=4 204 B8R1.34 CC(C)OC1CNC1 I-9143 [0,0,0,1,0,0|2,0,1]=4 205 B8R1.34 N=C(N)CC1CCC1 P48135 [0,0,0,1,0,0|3,0,0]=4 206 B8R1.34 NC(=O)CC1CNC1 P47102 [0,0,0,1,0,0|3,0,0]=4 207 B8R1.34 NC(=O)CC1CNC1 P48716 [0,0,0,1,0,0|3,0,0]=4 208 B8R1.34 NC(=O)NC1CCC1 P45216 [0,0,0,1,0,0|2,0,0]=3 209 B8R1.34 NC(=S)NC1CCC1 P45454 [0,0,0,1,0,0|2,1,0]=4 210 B8R1.34 O=C(O)C=C1CCC1 G-6914 [0,0,0,1,0,0|2,0,1]=4 211 B8R1.34 O=C(O)CC1CCC1 P44572 [0,0,0,1,0,0|2,0,0]=3 212 B8R1.34 O=C(O)CC1CCN1 P44826 [0,0,0,1,0,0|3,0,0]=4 213 B8R1.34 O=C(O)CC1CCO1 F-4762 [0,0,0,1,0,0|3,0,0]=4 214 B8R1.34 O=C(O)CC1CNC1 G-7532 [0,0,0,1,0,0|3,0,0]=4 215 B8R1.34 O=C(O)CC1CNC1 M22650 [0,0,0,1,0,0|3,0,0]=4 216 B8R1.34 O=C(O)CC1CNC1 P46867 [0,0,0,1,0,0|3,0,0]=4 217 B8R1.34 O=C(O)CC1COC1 F-4181 [0,0,0,1,0,0|3,0,0]=4 218 B8R1.34 O=C(O)CN1CCC1 H-8105 [0,0,0,1,0,0|3,0,0]=4 219 B8R1.34 O=C(O)C[C@@H]1CCO1 Q56144 [0,0,0,1,0,0|3,0,0]=4 220 B8R1.34 O=C(O)C[C@H]1CCO1 Q56143 [0,0,0,1,0,0|3,0,0]=4 221 B8R1.35 O=C(O)CCC1CC1 P37405 [0,0,0,1,0,0|2,0,0]=3 222 B8R1.35 O=C(O)\C=C\C1CC1 L14104 [0,0,0,1,0,0|2,0,1]=4 223 B8R1.43 NCC1CC1C(=O)O Q52566 [0,0,0,1,0,0|3,0,0]=4 224 B8R1.48 CC1(C)OCC1CO Q52794 [0,0,0,1,0,0|2,0,1]=4 225 B8R1.72 CC1(C)CCCCN1 Q52541 [0,0,0,1,0,0|2,0,1]=4 226 B8R1.72 CC1(C)CNCCO1 H-8786 [0,0,0,1,0,0|2,0,1]=4 227 B8R1.72 CC1(C)CNCCO1 L14122 [0,0,0,1,0,0|2,0,1]=4 228 B5R0.1 CCC[C@H](C)N I-9318 [2,0,0,0,0,0|1,0,1]=4 229 B5R0.1 O=C(O)CCF A-698 [2,0,0,0,0,0|2,0,0]=4 230 B5R0.2 CNCCSC M23087 [2,0,0,0,0,0|1,1,0]=4 231 B5R0.2 CSCCCN P39434 [2,0,0,0,0,0|1,1,0]=4 232 B7R0.2 CCC(=O)CC(=O)O P43007 [1,1,0,0,0,0|1,0,1]=4 233 B7R0.2 CCC(=O)CC(C)=O O31794 [1,1,0,0,0,0|0,0,1]=3 234 B7R0.2 CC[C@@H](N)CC(=O)O M23217 [1,1,0,0,0,0|1,0,0]=3 235 B7R0.2 CC[C@H](N)CC(=O)O M23203 [1,1,0,0,0,0|1,0,0]=3 236 B7R0.2 CC[C@H](N)CN(C)C Q66181 [1,1,0,0,0,0|2,0,0]=4 237 B7R0.2 NCC(O)CC(=O)O P35068 [1,1,0,0,0,0|2,0,0]=4 238 B7R0.2 N[C@@H](CO)CC(=O)O Q68983 [1,1,0,0,0,0|2,0,0]=4 239 B7R0.2 N[C@@H](CO)CC(=O)O Q68986 [1,1,0,0,0,0|2,0,0]=4 240 B7R0.2 N[C@H](CO)CC(=O)O Q68987 [1,1,0,0,0,0|2,0,0]=4 241 B7R0.2 N[C@H](CO)CC(=O)O Q68989 [1,1,0,0,0,0|2,0,0]=4 242 B7R0.3 CCCC[C@@H](N)CO P35979 [1,1,0,0,0,0|1,0,1]=4 243 B7R0.3 CCCC[C@H](N)CO P35978 [1,1,0,0,0,0|1,0,1]=4 244 B7R0.3 CCCNC(=O)CN P36648 [1,1,0,0,0,0|1,0,0]=3 245 B7R0.3 CC\C=C\C(=O)OC Q70108 [1,1,0,0,0,0|0,0,2]=4 246 B7R0.3 CNC(=O)CCCN P40550 [1,1,0,0,0,0|1,0,0]=3 247 B7R0.3 CNCCC(=O)NC P37767 [1,1,0,0,0,0|1,0,0]=3 248 B7R0.3 CNCCC(=O)OC P36826 [1,1,0,0,0,0|1,0,0]=3 249 B7R0.5 CC(=O)N(C)CCN P35211 [1,1,0,0,0,0|2,0,0]=4 250 B7R0.5 CCCC(C)C(C)N L19280 [1,1,0,0,0,0|1,0,1]=4 251 B7R0.5 CCC[C@H](O)C(=O)O P51274 [1,1,0,0,0,0|1,0,0]=3 252 B7R0.5 CCNC(C)C(=O)O P36832 [1,1,0,0,0,0|2,0,0]=4 253 B7R0.5 CCN[C@@H](C)C(=O)O P36816 [1,1,0,0,0,0|2,0,0]=4 254 B7R0.5 CCN[C@H](C)C(=O)O P35138 [1,1,0,0,0,0|2,0,0]=4 255 B7R0.5 COC[C@@H](N)C(=O)O P35719 [1,1,0,0,0,0|2,0,0]=4 256 B7R0.5 COC[C@H](N)C(=O)O P38808 [1,1,0,0,0,0|2,0,0]=4 257 B7R0.5 N[C@@H](CCBr)C(=O)O P41033 [1,1,0,0,0,0|2,0,0]=4 258 B7R0.5 N[C@@H](CCS)C(=O)O A-694 [1,1,0,0,0,0|2,0,0]=4 259 B7R0.6 CC(=O)OCC(C)O P36972 [1,1,0,0,0,0|0,0,0]=2 260 B7R0.6 CC(C)OCC(=O)O P38749 [1,1,0,0,0,0|2,0,0]=4 261 B7R0.6 O=C(O)CCC(F)F S72753 [1,1,0,0,0,0|2,0,0]=4 262 B7R0.8 CCCCS(=O)(=O)O O30093 [1,1,0,0,0,0|2,0,0]=4 263 B7R0.8 CNCCS(C)(=O)=O P39970 [1,1,0,0,0,0|2,0,0]=4 264 B7R0.1 CCCCOCCN P36925 [1,1,0,0,0,0|0,0,1]=3 265 B7R0.1 COCCOCCN P38878 [1,1,0,0,0,0|1,0,1]=4 266 B7R0.1 NCCCOCCO P34738 [1,1,0,0,0,0|1,0,1]=4 267 B7R0.1 O=CCCCCCCl O30105 [1,1,0,0,0,0|1,0,0]=3 268 B9R0.4 CSCC[C@@H](N)CC(=O)O Q68976 [0,2,0,0,0,0|2,0,0]=4 269 B9R0.4 CSCC[C@@H](N)CC(=O)O Q68979 [0,2,0,0,0,0|2,0,0]=4 270 B9R0.4 CSCC[C@H](N)CC(=O)O Q69001 [0,2,0,0,0,0|2,0,0]=4 271 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O Q68967 [0,2,0,0,0,0|2,0,0]=4 272 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O Q68970 [0,2,0,0,0,0|2,0,0]=4 273 B9R0.34 COCC(C)NC(=O)CCl L18642 [0,2,0,0,0,0|2,0,0]=4 274 B9R0.53 CC(C)C[C@@H](N)CC(=O)O Q68973 [0,2,0,0,0,0|2,0,0]=4 275 B9R0.53 CC(C)C[C@@H](N)CC(=O)O Q68975 [0,2,0,0,0,0|2,0,0]=4 276 B9R0.53 CC(C)C[C@H](N)CC(=O)O P39532 [0,2,0,0,0,0|2,0,0]=4 277 B9R0.53 CC(C)C[C@H](N)CC(=O)O Q68972 [0,2,0,0,0,0|2,0,0]=4 278 B9R0.58 CCCS(=O)(=O)CC(C)=O O29371 [0,2,0,0,0,0|2,0,0]=4 279 B9R0.5 CCCCNC(=O)CC#N P38337 [0,2,0,0,0,0|1,0,0]=3 280 B9R0.5 COCCNC(=O)CC#N P41073 [0,2,0,0,0,0|2,0,0]=4 281 B9R0.8 CCCCC(N)C(=O)OC M23165 [0,2,0,0,0,0|1,0,0]=3 282 B9R0.46 CCOCCOC(=O)CCl O30319 [0,2,0,0,0,0|0,0,0]=2 283 B9R0.47 CCCCCC(N)C(=O)O P42626 [0,2,0,0,0,0|2,0,0]=4 284 B9R0.47 CCCCC[C@@H](N)C(=O)O P38033 [0,2,0,0,0,0|2,0,0]=4 285 B9R0.47 CCCCC[C@H](N)C(=O)O P38032 [0,2,0,0,0,0|2,0,0]=4 286 B9R0.47 N[C@@H](CCCCO)C(=O)O P37153 [0,2,0,0,0,0|2,0,0]=4 287 B9R0.2 CNCCCCCC(=O)O P42203 [0,2,0,0,0,0|2,0,0]=4 288 B9R0.2 COCCOCCC(=O)O P41094 [0,2,0,0,0,0|2,0,0]=4 289 B9R0.2 O=C(O)CCCCCCBr P38930 [0,2,0,0,0,0|2,0,0]=4 290 B9R0.38 C#CCCCOS(C)(=O)=O P36613 [0,2,0,0,0,0|1,0,1]=4 291 B9R0.55 CN(C)CCCCC(=O)O P35297 [0,2,0,0,0,0|2,0,0]=4 292 B9R0.7 CC(C)CC[C@@H](N)C(=O)O P41429 [0,2,0,0,0,0|2,0,0]=4 293 B9R0.7 CC(C)CC[C@H](N)C(=O)O M22613 [0,2,0,0,0,0|2,0,0]=4 294 B9R0.56 CC(=O)OCC[B-](F)(F)F Q68858 [0,2,0,0,0,0|2,0,0]=4 295 B7R1.2 CC1=NC(C)CO1 M15289 [1,0,0,1,0,0|1,0,0]=3 296 B7R1.2 CC1CCC(N)C1 Q56970 [1,0,0,1,0,0|1,0,1]=4 297 B7R1.2 CC1CNC(=O)C1 L13710 [1,0,0,1,0,0|1,0,0]=3 298 B7R1.2 CC1CNC(=O)O1 P51279 [1,0,0,1,0,0|2,0,0]=4 299 B7R1.2 C[C@@H]1CC[C@@H](C)N1 O32970 [1,0,0,1,0,0|1,0,1]=4 300 B7R1.2 C[C@@H]1CC[C@@H](C)N1 Q61707 [1,0,0,1,0,0|1,0,1]=4 301 B7R1.2 C[C@@H]1CC[C@@H](C)N1 Q61742 [1,0,0,1,0,0|1,0,1]=4 302 B7R1.2 C[C@@H]1CNC(=O)C1 L22301 [1,0,0,1,0,0|1,0,0]=3 303 B7R1.2 C[C@@H]1CNC(=O)O1 P42625 [1,0,0,1,0,0|2,0,0]=4 304 B7R1.2 C[C@H]1CC[C@@H](C)N1 O32965 [1,0,0,1,0,0|1,0,1]=4 305 B7R1.2 C[C@H]1CC[C@@H](C)N1 Q61708 [1,0,0,1,0,0|1,0,1]=4 306 B7R1.2 C[C@H]1CNC(=O)C1 L18264 [1,0,0,1,0,0|1,0,0]=3 307 B7R1.2 NC1CNC(=O)C1 G-6478 [1,0,0,1,0,0|2,0,0]=4 308 B7R1.2 NC1CNC(=O)C1 L13560 [1,0,0,1,0,0|2,0,0]=4 309 B7R1.2 N[C@@H]1CNC(=O)C1 L13184 [1,0,0,1,0,0|2,0,0]=4 310 B7R1.2 N[C@@H]1CNC(=O)C1 P44245 [1,0,0,1,0,0|2,0,0]=4 311 B7R1.2 N[C@H]1CNC(=O)C1 L13183 [1,0,0,1,0,0|2,0,0]=4 312 B7R1.2 O=C1CC(O)CN1 P39299 [1,0,0,1,0,0|2,0,0]=4 313 B7R1.2 O=C1CCC(=O)C1 I-9301 [1,0,0,1,0,0|1,0,1]=4 314 B7R1.2 O=C1CCC(Br)C1 Q56972 [1,0,0,1,0,0|1,0,0]=3 315 B7R1.2 O=C1CCC(F)C1 Q55724 [1,0,0,1,0,0|1,0,0]=3 316 B7R1.2 O=C1CCC(O)C1 H-8145 [1,0,0,1,0,0|1,0,0]=3 317 B7R1.2 O=C1C[C@@H](O)CN1 M22799 [1,0,0,1,0,0|2,0,0]=4 318 B7R1.2 O=C1C[C@@H](S)CN1 I-9138 [1,0,0,1,0,0|2,0,0]=4 319 B7R1.3 BrC1=CCCCC1 N24288 [1,0,0,1,0,0|1,0,1]=4 320 B7R1.3 C=C1CCCNC1 Q59836 [1,0,0,1,0,0|2,0,0]=4 321 B7R1.3 C=C1CCCOC1 Q54979 [1,0,0,1,0,0|2,0,0]=4 322 B7R1.3 C=C1CCNCC1 H-8338 [1,0,0,1,0,0|2,0,0]=4 323 B7R1.3 C=C1CCNCC1 Q55164 [1,0,0,1,0,0|2,0,0]=4 324 B7R1.3 C=C1CCOCC1 L13714 [1,0,0,1,0,0|2,0,0]=4 325 B7R1.3 CC1=CCCNC1 I-9121 [1,0,0,1,0,0|2,0,0]=4 326 B7R1.3 CC1=CCNCC1 I-9119 [1,0,0,1,0,0|2,0,0]=4 327 B7R1.3 C[C@@H]1CCCCN1 P40572 [1,0,0,1,0,0|1,0,1]=4 328 B7R1.3 C[C@H]1CCCCN1 P38855 [1,0,0,1,0,0|1,0,1]=4 329 B7R1.3 C[C@H]1CCCCN1 Q54716 [1,0,0,1,0,0|1,0,1]=4 330 B7R1.3 N=C1NCCCO1 L19177 [1,0,0,1,0,0|2,0,0]=4 331 B7R1.3 O=C1CC=CCC1 Q53604 [1,0,0,1,0,0|0,0,2]=4 332 B7R1.3 O=C1CCCNC1 A-184 [1,0,0,1,0,0|1,0,0]=3 333 B7R1.3 O=C1CCCOC1 G-6070 [1,0,0,1,0,0|1,0,0]=3 334 B7R1.3 O=C1CCCSC1 G-5937 [1,0,0,1,0,0|1,0,0]=3 335 B7R1.3 O=C1CCOCC1 B-1770 [1,0,0,1,0,0|1,0,0]=3 336 B7R1.3 O=C1CCSCC1 C-2949 [1,0,0,1,0,0|1,0,0]=3 337 B7R1.3 O=C1CNCCO1 O28295 [1,0,0,1,0,0|1,0,0]=3 338 B7R1.3 O=C1COCCN1 B-1038 [1,0,0,1,0,0|2,0,0]=4 339 B7R1.3 O=C1OCCCO1 P43743 [1,0,0,1,0,0|1,0,0]=3 340 B7R1.10 C=C1CC(CBr)C1 P49895 [1,0,0,1,0,0|2,0,0]=4 341 B7R1.10 C=C1CC(CO)C1 P49896 [1,0,0,1,0,0|2,0,0]=4 342 B7R1.10 C=CC1CC(=O)C1 P45344 [1,0,0,1,0,0|0,0,2]=4 343 B7R1.10 CCC1CC(=O)C1 P44071 [1,0,0,1,0,0|0,0,0]=2 344 B7R1.10 CCC1CC(N)C1 P48761 [1,0,0,1,0,0|1,0,1]=4 345 B7R1.10 COC1CC(=O)C1 F-4668 [1,0,0,1,0,0|1,0,0]=3 346 B7R1.10 N#CC1CC(=O)C1 F-4231 [1,0,0,1,0,0|1,0,1]=4 347 B7R1.10 NCC1CC(=O)C1 C-2921 [1,0,0,1,0,0|1,0,0]=3 348 B7R1.10 O=C1CC(CBr)C1 G-6631 [1,0,0,1,0,0|1,0,0]=3 349 B7R1.10 O=C1CC(CBr)O1 Q57248 [1,0,0,1,0,0|1,0,0]=3 350 B7R1.10 O=C1CC(CCl)C1 L13121 [1,0,0,1,0,0|1,0,0]=3 351 B7R1.10 O=C1CC(CF)C1 P44872 [1,0,0,1,0,0|1,0,0]=3 352 B7R1.10 O=C1CC(CO)C1 D-2565 [1,0,0,1,0,0|1,0,0]=3 353 B7R1.10 O=C1CC(CO)N1 P45245 [1,0,0,1,0,0|2,0,0]=4 354 B7R1.10 O=C1C[C@H](CO)N1 Q53600 [1,0,0,1,0,0|2,0,0]=4 355 B7R1.12 CC1CC1C(=O)Cl O31612 [1,0,0,1,0,0|1,0,0]=3 356 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O P44059 [1,0,0,1,0,0|1,0,0]=3 357 B7R1.12 C[C@@H]1C[C@H]1C(=O)O L22375 [1,0,0,1,0,0|1,0,0]=3 358 B7R1.12 C[C@H]1C[C@H]1C(=O)O O33127 [1,0,0,1,0,0|1,0,0]=3 359 B7R1.12 O=C(O)C1CC1F Q52394 [1,0,0,1,0,0|2,0,0]=4 360 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F K10809 [1,0,0,1,0,0|2,0,0]=4 361 B7R1.12 O=C(O)[C@@H]1C[C@H]1F O33126 [1,0,0,1,0,0|2,0,0]=4 362 B7R1.12 O=C(O)[C@@H]1C[C@H]1F O33327 [1,0,0,1,0,0|2,0,0]=4 363 B7R1.12 O=C(O)[C@H]1C[C@@H]1F O33229 [1,0,0,1,0,0|2,0,0]=4 364 B7R1.12 O=C(O)[C@H]1C[C@H]1F K10802 [1,0,0,1,0,0|2,0,0]=4 365 B7R1.14 CC1(N)CCCC1 Q57352 [1,0,0,1,0,0|1,0,1]=4 366 B7R1.18 CC(=O)C1CCC1 Q54751 [1,0,0,1,0,0|0,0,0]=2 367 B7R1.18 CC(=O)C1CNC1 P44065 [1,0,0,1,0,0|1,0,0]=3 368 B7R1.18 CC(=O)C1CNC1 P48871 [1,0,0,1,0,0|1,0,0]=3 369 B7R1.18 CC(=O)C1CNC1 P48872 [1,0,0,1,0,0|1,0,0]=3 370 B7R1.18 CC(=O)C1COC1 Q56096 [1,0,0,1,0,0|1,0,0]=3 371 B7R1.18 CC(=O)N1CCC1 P45596 [1,0,0,1,0,0|1,0,0]=3 372 B7R1.18 CC(N)C1CCC1 L22474 [1,0,0,1,0,0|1,0,1]=4 373 B7R1.18 CC(N)C1CCC1 P45412 [1,0,0,1,0,0|1,0,1]=4 374 B7R1.18 CC(O)C1CCC1 P45236 [1,0,0,1,0,0|0,0,2]=4 375 B7R1.18 CS(=O)C1CNC1 P40256 [1,0,0,1,0,0|2,0,0]=4 376 B7R1.18 C[C@@H](N)C1CCC1 P45187 [1,0,0,1,0,0|1,0,1]=4 377 B7R1.18 C[C@@H](N)C1CCC1 P45332 [1,0,0,1,0,0|1,0,1]=4 378 B7R1.18 C[C@H](N)C1CCC1 P48628 [1,0,0,1,0,0|1,0,1]=4 379 B7R1.18 C[C@H](O)C1CCC1 P47847 [1,0,0,1,0,0|0,0,2]=4 380 B7R1.18 N=C(N)C1CCC1 G-7205 [1,0,0,1,0,0|2,0,0]=4 381 B7R1.18 NC(=O)C1CCC1 O34470 [1,0,0,1,0,0|1,0,0]=3 382 B7R1.18 NC(=O)C1CCN1 O28301 [1,0,0,1,0,0|2,0,0]=4 383 B7R1.18 NC(=O)C1CNC1 C-2241 [1,0,0,1,0,0|2,0,0]=4 384 B7R1.18 NC(=O)C1CNC1 L21539 [1,0,0,1,0,0|2,0,0]=4 385 B7R1.18 NC(=O)N1CCC1 P45464 [1,0,0,1,0,0|2,0,0]=4 386 B7R1.18 NC(=S)C1CCC1 P47843 [1,0,0,1,0,0|1,1,0]=4 387 B7R1.18 O=C(O)C1CCN1 B-1112 [1,0,0,1,0,0|2,0,0]=4 388 B7R1.18 O=C(O)C1CCO1 D-2702 [1,0,0,1,0,0|2,0,0]=4 389 B7R1.18 O=C(O)C1CNC1 A-422 [1,0,0,1,0,0|2,0,0]=4 390 B7R1.18 O=C(O)C1CNC1 P42961 [1,0,0,1,0,0|2,0,0]=4 391 B7R1.18 O=C(O)C1COC1 A-970 [1,0,0,1,0,0|2,0,0]=4 392 B7R1.18 O=C(O)C1CSC1 H-8019 [1,0,0,1,0,0|2,0,0]=4 393 B7R1.18 O=C(O)[C@@H]1CCN1 B-1110 [1,0,0,1,0,0|2,0,0]=4 394 B7R1.18 O=C(O)[C@@H]1CCN1 P46195 [1,0,0,1,0,0|2,0,0]=4 395 B7R1.18 O=C(O)[C@@H]1CCO1 Q62698 [1,0,0,1,0,0|2,0,0]=4 396 B7R1.18 O=C(O)[C@H]1CCN1 B-1109 [1,0,0,1,0,0|2,0,0]=4 397 B7R1.18 O=C(O)[C@H]1CCN1 P45364 [1,0,0,1,0,0|2,0,0]=4 398 B7R1.18 O=C(O)[C@H]1CCO1 Q62699 [1,0,0,1,0,0|2,0,0]=4 399 B7R1.20 CC(O)CC1CC1 O29763 [1,0,0,1,0,0|0,0,2]=4 400 B7R1.20 O=C(Cl)CC1CC1 Q54347 [1,0,0,1,0,0|1,0,0]=3 401 B7R1.20 O=C(O)CC1CC1 F-4292 [1,0,0,1,0,0|1,0,0]=3 402 B7R1.20 O=C(O)CC1CO1 P45743 [1,0,0,1,0,0|2,0,0]=4 403 B7R1.1 BrCC1CCOC1 C-3388 [1,0,0,1,0,0|1,0,1]=4 404 B7R1.1 CC[C@@H]1CCNC1 L14526 [1,0,0,1,0,0|1,0,1]=4 405 B7R1.1 CC[C@H]1CCNC1 L14527 [1,0,0,1,0,0|1,0,1]=4 406 B7R1.1 CNC1CCCC1 P36274 [1,0,0,1,0,0|2,0,0]=4 407 B7R1.1 CNC1CCOC1 I-9659 [1,0,0,1,0,0|1,0,1]=4 408 B7R1.1 CN[C@@H]1CCOC1 L13930 [1,0,0,1,0,0|1,0,1]=4 409 B7R1.1 CN[C@H]1CCOC1 L13929 [1,0,0,1,0,0|1,0,1]=4 410 B7R1.1 ICC1CCOC1 I-9304 [1,0,0,1,0,0|1,0,1]=4 411 B7R1.1 NCC1CCOC1 C-3659 [1,0,0,1,0,0|1,0,1]=4 412 B7R1.1 NCC1CCOC1 G-6767 [1,0,0,1,0,0|1,0,1]=4 413 B7R1.1 NC[C@@H]1CCOC1 C-2790 [1,0,0,1,0,0|1,0,1]=4 414 B7R1.1 NC[C@@H]1CCOC1 G-5015 [1,0,0,1,0,0|1,0,1]=4 415 B7R1.1 NC[C@H]1CCOC1 C-2789 [1,0,0,1,0,0|1,0,1]=4 416 B7R1.1 NC[C@H]1CCOC1 G-5014 [1,0,0,1,0,0|1,0,1]=4 417 B7R1.1 O=CC1=CCCC1 O33977 [1,0,0,1,0,0|1,0,1]=4 418 B7R1.1 OCC1CC=CC1 G-6600 [1,0,0,1,0,0|2,0,0]=4 419 B7R1.1 OCC1CCOC1 C-3387 [1,0,0,1,0,0|1,0,1]=4 420 B7R1.1 OC[C@@H]1CCOC1 C-2787 [1,0,0,1,0,0|1,0,1]=4 421 B7R1.1 OC[C@H]1CCOC1 C-2788 [1,0,0,1,0,0|1,0,1]=4 422 B7R1.4 CC1CCNC1=O O30375 [1,0,0,1,0,0|1,0,0]=3 423 B7R1.4 CC1CCNC1C Q61659 [1,0,0,1,0,0|1,0,1]=4 424 B7R1.4 C[C@@H]1CCNC1=O Q61716 [1,0,0,1,0,0|1,0,0]=3 425 B7R1.4 C[C@H]1CCNC1=O Q61658 [1,0,0,1,0,0|1,0,0]=3 426 B7R1.4 NC1CCNC1=O F-4440 [1,0,0,1,0,0|2,0,0]=4 427 B7R1.4 N[C@@H]1CCNC1=O F-4458 [1,0,0,1,0,0|2,0,0]=4 428 B7R1.4 N[C@H]1CCNC1=O F-4459 [1,0,0,1,0,0|2,0,0]=4 429 B7R1.4 N[C@H]1CCNC1=O L14236 [1,0,0,1,0,0|2,0,0]=4 430 B7R1.4 O=C1CCCC1O Q61720 [1,0,0,1,0,0|2,0,0]=4 431 B7R1.4 O=C1NCCC1Br O31241 [1,0,0,1,0,0|2,0,0]=4 432 B7R1.4 O=C1NCCC1F Q62170 [1,0,0,1,0,0|2,0,0]=4 433 B7R1.4 O=C1NCCC1O D-2532 [1,0,0,1,0,0|2,0,0]=4 434 B7R1.4 O=C1NCC[C@@H]1F Q63592 [1,0,0,1,0,0|2,0,0]=4 435 B7R1.4 O=C1NCC[C@@H]1O F-4184 [1,0,0,1,0,0|2,0,0]=4 436 B7R1.4 O=C1NCC[C@H]1F Q63593 [1,0,0,1,0,0|2,0,0]=4 437 B7R1.4 O=C1NCC[C@H]1O O30124 [1,0,0,1,0,0|2,0,0]=4 438 B7R1.6 BrCCC1CCO1 Q56185 [1,0,0,1,0,0|1,0,1]=4 439 B7R1.6 CCCC1CNC1 P43152 [1,0,0,1,0,0|2,0,0]=4 440 B7R1.6 CCCC1CNC1 P44924 [1,0,0,1,0,0|2,0,0]=4 441 B7R1.6 CCNC1CCC1 P34707 [1,0,0,1,0,0|1,0,1]=4 442 B7R1.6 CCNC1CCC1 P45089 [1,0,0,1,0,0|1,0,1]=4 443 B7R1.6 CCOC1CNC1 O28975 [1,0,0,1,0,0|1,0,1]=4 444 B7R1.6 CCOC1CNC1 P44497 [1,0,0,1,0,0|1,0,1]=4 445 B7R1.6 CNCC1CCC1 P42057 [1,0,0,1,0,0|2,0,0]=4 446 B7R1.6 CNCC1CCC1 P44415 [1,0,0,1,0,0|2,0,0]=4 447 B7R1.6 CNCC1CCO1 Q55851 [1,0,0,1,0,0|1,0,1]=4 448 B7R1.6 ClCOC1CCC1 P49912 [1,0,0,1,0,0|1,0,1]=4 449 B7R1.6 ICCC1CCO1 Q56184 [1,0,0,1,0,0|1,0,1]=4 450 B7R1.6 NCCC1CCO1 O32973 [1,0,0,1,0,0|1,0,1]=4 451 B7R1.6 NCC[C@@H]1CCO1 Q56188 [1,0,0,1,0,0|1,0,1]=4 452 B7R1.6 NCC[C@H]1CCO1 Q56187 [1,0,0,1,0,0|1,0,1]=4 453 B7R1.6 O=C=NC1CCC1 P45443 [1,0,0,1,0,0|1,0,1]=4 454 B7R1.6 O=CCC1CCC1 P45355 [1,0,0,1,0,0|1,0,0]=3 455 B7R1.6 O=CCC1CCO1 Q56186 [1,0,0,1,0,0|2,0,0]=4 456 B7R1.6 O=CCN1CCC1 P47882 [1,0,0,1,0,0|2,0,0]=4 457 B7R1.6 OCCC1CCO1 F-4763 [1,0,0,1,0,0|1,0,1]=4 458 B7R1.6 OCC[C@@H]1CCO1 Q56146 [1,0,0,1,0,0|1,0,1]=4 459 B7R1.6 OCC[C@H]1CCO1 Q56145 [1,0,0,1,0,0|1,0,1]=4 460 B7R1.8 CC1OCC1CO Q56093 [1,0,0,1,0,0|1,0,1]=4 461 B7R1.8 COC1CCC1=O P45632 [1,0,0,1,0,0|2,0,0]=4 462 B7R1.8 NCC1CNC1=O P46897 [1,0,0,1,0,0|2,0,0]=4 463 B7R1.8 O=C1CCC1CO L18510 [1,0,0,1,0,0|2,0,0]=4 464 B7R1.24 C1CNCCOC1 O28784 [1,0,0,1,0,0|1,0,1]=4 465 B9R1.13 CC(=O)NC1CCNC1 P36025 [0,1,0,1,0,0|1,0,0]=3 466 B9R1.13 CC(=O)N[C@@H]1CCNC1 L21969 [0,1,0,1,0,0|1,0,0]=3 467 B9R1.13 CC(=O)N[C@H]1CCNC1 P42553 [0,1,0,1,0,0|1,0,0]=3 468 B9R1.13 CC(=O)N[C@H]1CCNC1 Q56351 [0,1,0,1,0,0|1,0,0]=3 469 B9R1.13 CC(C)OC1CCNC1 P42194 [0,1,0,1,0,0|1,0,1]=4 470 B9R1.13 CC(C)OC1CCNC1 Q61982 [0,1,0,1,0,0|1,0,1]=4 471 B9R1.13 CC(C)O[C@@H]1CCNC1 P42399 [0,1,0,1,0,0|1,0,1]=4 472 B9R1.13 CC(C)O[C@@H]1CCNC1 Q61983 [0,1,0,1,0,0|1,0,1]=4 473 B9R1.13 CC(C)O[C@H]1CCNC1 P43058 [0,1,0,1,0,0|1,0,1]=4 474 B9R1.13 NC(=O)CC1CCCN1 Q61611 [0,1,0,1,0,0|2,0,0]=4 475 B9R1.13 NC(=O)CC1CCCN1 Q61612 [0,1,0,1,0,0|2,0,0]=4 476 B9R1.13 NC(=O)CC1CCNC1 Q57405 [0,1,0,1,0,0|2,0,0]=4 477 B9R1.13 NC(=O)CC1CCNC1 Q57406 [0,1,0,1,0,0|2,0,0]=4 478 B9R1.13 O=C(Cl)CC1CCCO1 L21210 [0,1,0,1,0,0|2,0,0]=4 479 B9R1.13 O=C(Cl)OC1CCOC1 L19890 [0,1,0,1,0,0|1,0,0]=3 480 B9R1.13 O=C(O)CC1CCCN1 P36438 [0,1,0,1,0,0|2,0,0]=4 481 B9R1.13 O=C(O)CC1CCCN1 P51099 [0,1,0,1,0,0|2,0,0]=4 482 B9R1.13 O=C(O)CC1CCNC1 G-6773 [0,1,0,1,0,0|2,0,0]=4 483 B9R1.13 O=C(O)CC1CCNC1 M22656 [0,1,0,1,0,0|2,0,0]=4 484 B9R1.13 O=C(O)CC1CCOC1 A-556 [0,1,0,1,0,0|2,0,0]=4 485 B9R1.13 O=C(O)CN1CCCC1 10114 [0,1,0,1,0,0|2,0,0]=4 486 B9R1.13 O=C(O)C[C@@H]1CCCN1 P37561 [0,1,0,1,0,0|2,0,0]=4 487 B9R1.13 O=C(O)C[C@@H]1CCCN1 Q68982 [0,1,0,1,0,0|2,0,0]=4 488 B9R1.13 O=C(O)C[C@@H]1CCNC1 L21906 [0,1,0,1,0,0|2,0,0]=4 489 B9R1.13 O=C(O)C[C@H]1CCCN1 P38072 [0,1,0,1,0,0|2,0,0]=4 490 B9R1.13 O=C(O)C[C@H]1CCCN1 P51185 [0,1,0,1,0,0|2,0,0]=4 491 B9R1.13 O=C(O)C[C@H]1CCOC1 Q55020 [0,1,0,1,0,0|2,0,0]=4 492 B9R1.34 CC1CC(=O)CC(=O)O1 H-8797 [0,1,0,1,0,0|1,0,1]=4 493 B9R1.34 CC1CC(=O)CC(C)N1 O29876 [0,1,0,1,0,0|2,0,0]=4 494 B9R1.34 CC1CC(=O)CC(C)O1 F-4696 [0,1,0,1,0,0|2,0,0]=4 495 B9R1.34 CN1CC(=O)OC(=O)C1 Q70106 [0,1,0,1,0,0|1,0,1]=4 496 B9R1.34 C[C@@H]1CC(=O)C[C@@H](C)O1 Q55059 [0,1,0,1,0,0|2,0,0]=4 497 B9R1.34 C[C@@H]1CC(=O)C[C@@H](C)O1 Q55809 [0,1,0,1,0,0|2,0,0]=4 498 B9R1.34 C[C@H]1CC(=O)C[C@@H](C)N1 L13865 [0,1,0,1,0,0|2,0,0]=4 499 B9R1.34 C[C@H]1CC(=O)C[C@@H](C)N1 Q55528 [0,1,0,1,0,0|2,0,0]=4 500 B9R1.34 C[C@H]1CC(=O)C[C@@H](C)O1 L14381 [0,1,0,1,0,0|2,0,0]=4 501 B9R1.34 C[C@H]1CC(=O)C[C@H](C)O1 Q55060 [0,1,0,1,0,0|2,0,0]=4 502 B9R1.41 CC1CCNC1C(=O)O Q57359 [0,1,0,1,0,0|2,0,0]=4 503 B9R1.41 CC1CCNC1C(=O)O Q57360 [0,1,0,1,0,0|2,0,0]=4 504 B9R1.41 CC1CNCC1C(=O)O Q59247 [0,1,0,1,0,0|2,0,0]=4 505 B9R1.41 CN1CCCC1C(=O)O M22685 [0,1,0,1,0,0|2,0,0]=4 506 B9R1.41 CN1CCC[C@@H]1C(=O)O P36536 [0,1,0,1,0,0|2,0,0]=4 507 B9R1.41 CN1CCC[C@@H]1C(=O)O P37259 [0,1,0,1,0,0|2,0,0]=4 508 B9R1.41 CN1CCC[C@H]1C(=O)O I-9166 [0,1,0,1,0,0|2,0,0]=4 509 B9R1.41 CN1CCC[C@H]1C(=O)O O28625 [0,1,0,1,0,0|2,0,0]=4 510 B9R1.41 CN1CCC[C@H]1C(=O)O P37937 [0,1,0,1,0,0|2,0,0]=4 511 B9R1.41 C[C@H]1CNC[C@@H]1C(=O)O Q62191 [0,1,0,1,0,0|2,0,0]=4 512 B9R1.41 NC(=O)C1CCCC1N Q59162 [0,1,0,1,0,0|2,0,0]=4 513 B9R1.41 N[C@@H]1CCC[C@@H]1C(=O)O Q61718 [0,1,0,1,0,0|2,0,0]=4 514 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O H-8160 [0,1,0,1,0,0|2,0,0]=4 515 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O Q61730 [0,1,0,1,0,0|2,0,0]=4 516 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O Q61731 [0,1,0,1,0,0|2,0,0]=4 517 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O H-8161 [0,1,0,1,0,0|2,0,0]=4 518 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O F-4802 [0,1,0,1,0,0|2,0,0]=4 519 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O Q52546 [0,1,0,1,0,0|2,0,0]=4 520 B9R1.41 O=C(O)C1CCCC1O Q59153 [0,1,0,1,0,0|2,0,0]=4 521 B9R1.41 O=C(O)[C@@H]1CCC[C@@H]1F Q63425 [0,1,0,1,0,0|2,0,0]=4 522 B9R1.41 O=C(O)[C@@H]1CCC[C@@H]1O Q63421 [0,1,0,1,0,0|2,0,0]=4 523 B9R1.41 O=C(O)[C@@H]1CCC[C@H]1F Q63426 [0,1,0,1,0,0|2,0,0]=4 524 B9R1.41 O=C(O)[C@@H]1CCC[C@H]1O Q63422 [0,1,0,1,0,0|2,0,0]=4 525 B9R1.41 O=C(O)[C@H]1CCC[C@@H]1F Q63427 [0,1,0,1,0,0|2,0,0]=4 526 B9R1.41 O=C(O)[C@H]1CCC[C@@H]1O Q63423 [0,1,0,1,0,0|2,0,0]=4 527 B9R1.41 O=C(O)[C@H]1CCC[C@H]1F Q63424 [0,1,0,1,0,0|2,0,0]=4 528 B9R1.41 O=C(O)[C@H]1CCC[C@H]1O Q63420 [0,1,0,1,0,0|2,0,0]=4 529 B9R1.48 CC1CC(=O)NCCN1 G-6003 [0,1,0,1,0,0|1,0,0]=3 530 B9R1.48 NC1CCCNC(=O)C1 S72677 [0,1,0,1,0,0|1,0,0]=3 531 B9R1.48 O=C1CCCNC(=O)C1 M15285 [0,1,0,1,0,0|1,0,1]=4 532 B9R1.53 C=C1CC(OC(C)=O)C1 P46928 [0,1,0,1,0,0|0,0,1]=3 533 B9R1.53 CC(=O)NC1CC(N)C1 L14306 [0,1,0,1,0,0|1,0,0]=3 534 B9R1.53 CC(=O)NC1CC(N)C1 P49715 [0,1,0,1,0,0|1,0,0]=3 535 B9R1.53 CC(=O)OC1CC(=O)C1 G-6514 [0,1,0,1,0,0|0,0,1]=3 536 B9R1.53 CC(=O)O[C@H]1C[C@@H](O)C1 P47617 [0,1,0,1,0,0|0,0,0]=2 537 B9R1.53 CC(=O)O[C@H]1C[C@H](O)C1 P47529 [0,1,0,1,0,0|0,0,0]=2 538 B9R1.53 CC(=O)SC1CC(F)C1 P46793 [0,1,0,1,0,0|0,1,0]=3 539 B9R1.53 CC(C)OC1CC(N)C1 P48013 [0,1,0,1,0,0|1,0,1]=4 540 B9R1.53 CC(C)O[C@H]1C[C@@H](N)C1 P46696 [0,1,0,1,0,0|1,0,1]=4 541 B9R1.53 CC(C)O[C@H]1C[C@@H](N)C1 P47512 [0,1,0,1,0,0|1,0,1]=4 542 B9R1.53 CC(C)O[C@H]1C[C@H](N)C1 P47588 [0,1,0,1,0,0|1,0,1]=4 543 B9R1.53 CC(C)O[C@H]1C[C@H](N)C1 P50503 [0,1,0,1,0,0|1,0,1]=4 544 B9R1.53 CC1CC(CC(=O)O)C1 P49313 [0,1,0,1,0,0|2,0,0]=4 545 B9R1.53 NC1CC(CC(=O)O)C1 I-9459 [0,1,0,1,0,0|2,0,0]=4 546 B9R1.53 NC1CC(CC(=O)O)C1 Q56497 [0,1,0,1,0,0|2,0,0]=4 547 B9R1.53 N[C@H]1C[C@@H](CC(=O)O)C1 G-7331 [0,1,0,1,0,0|2,0,0]=4 548 B9R1.53 N[C@H]1C[C@@H](CC(=O)O)C1 G-7981 [0,1,0,1,0,0|2,0,0]=4 549 B9R1.53 N[C@H]1C[C@H](CC(=O)O)C1 G-7332 [0,1,0,1,0,0|2,0,0]=4 550 B9R1.53 O=C(O)CC1CC(F)C1 P47187 [0,1,0,1,0,0|2,0,0]=4 551 B9R1.53 O=C(O)C[C@H]1C[C@@H](O)C1 P46932 [0,1,0,1,0,0|2,0,0]=4 552 B9R1.53 O=C(O)C[C@H]1C[C@H](O)C1 P46934 [0,1,0,1,0,0|2,0,0]=4 553 B9R1.66 CC1(C)CC(=O)CCN1 O34587 [0,1,0,1,0,0|2,0,0]=4 554 B9R1.66 CC1(C)CC(=O)CCO1 F-4698 [0,1,0,1,0,0|2,0,0]=4 555 B9R1.66 CC1(C)CC(Br)CCO1 Q57806 [0,1,0,1,0,0|1,0,1]=4 556 B9R1.66 CC1(C)CC(N)CCO1 Q55597 [0,1,0,1,0,0|1,0,1]=4 557 B9R1.66 CC1(C)COCC(=O)C1 Q61431 [0,1,0,1,0,0|2,0,0]=4 558 B9R1.66 O=C1CC(F)(F)CCN1 Q63587 [0,1,0,1,0,0|2,0,0]=4 559 B9R1.86 CCC1CC1CC(=O)O O32172 [0,1,0,1,0,0|2,0,0]=4 560 B9R1.137 NC(CC(=O)O)C1CC1 P38780 [0,1,0,1,0,0|2,0,0]=4 561 B9R1.171 CC(=O)CC1(O)CCC1 P46719 [0,1,0,1,0,0|1,0,0]=3 562 B9R1.171 CC(=O)CC1(O)COC1 Q55873 [0,1,0,1,0,0|2,0,0]=4 563 B9R1.171 CC1(CC(=O)O)CCC1 P43813 [0,1,0,1,0,0|2,0,0]=4 564 B9R1.171 NC(=O)CC1(N)CCC1 P48446 [0,1,0,1,0,0|2,0,0]=4 565 B9R1.171 NC(=O)CC1(N)CCC1 P48456 [0,1,0,1,0,0|2,0,0]=4 566 B9R1.171 NC1(CC(=O)O)CCC1 O33409 [0,1,0,1,0,0|2,0,0]=4 567 B9R1.171 NC1(CC(=O)O)CCC1 P41637 [0,1,0,1,0,0|2,0,0]=4 568 B9R1.171 O=C(O)CC1(O)CCC1 P44813 [0,1,0,1,0,0|2,0,0]=4 569 B9R1.1 CNC1CCC(=O)CC1 P41929 [0,1,0,1,0,0|2,0,0]=4 570 B9R1.1 COC1CCC(=O)CC1 P34719 [0,1,0,1,0,0|2,0,0]=4 571 B9R1.1 NCC1CCC(=O)NC1 F-4482 [0,1,0,1,0,0|2,0,0]=4 572 B9R1.1 O=C1CCC(CBr)CN1 L20956 [0,1,0,1,0,0|2,0,0]=4 573 B9R1.1 O=C1CCC(CO)CC1 O32541 [0,1,0,1,0,0|2,0,0]=4 574 B9R1.1 O=C1CCC(CO)CN1 H-8442 [0,1,0,1,0,0|2,0,0]=4 575 B9R1.1 O=C1CO[C@@H](CO)CN1 Q65251 [0,1,0,1,0,0|2,0,0]=4 576 B9R1.1 O=C1CO[C@H](CO)CN1 Q65252 [0,1,0,1,0,0|2,0,0]=4 577 B9R1.2 C=CC1CCCC(=O)C1 P47289 [0,1,0,1,0,0|1,0,1]=4 578 B9R1.2 CC1CC(CN)CCO1 Q57803 [0,1,0,1,0,0|1,0,1]=4 579 B9R1.2 CC1CC(CN)CCO1 Q57804 [0,1,0,1,0,0|1,0,1]=4 580 B9R1.2 CC1CC(CO)CCO1 Q57696 [0,1,0,1,0,0|1,0,1]=4 581 B9R1.2 CC1CCCC(C=O)C1 Q59550 [0,1,0,1,0,0|1,0,1]=4 582 B9R1.2 CCC1CC(=O)CCO1 10650 [0,1,0,1,0,0|1,0,0]=3 583 B9R1.2 CCN1CCNC(=O)C1 L21411 [0,1,0,1,0,0|1,0,0]=3 584 B9R1.2 COC1CCCC(=O)C1 P44206 [0,1,0,1,0,0|1,0,0]=3 585 B9R1.2 C[C@H]1CCOC(C=O)C1 Q57858 [0,1,0,1,0,0|0,0,1]=3 586 B9R1.2 NCC1CCCC(=O)N1 Q65073 [0,1,0,1,0,0|2,0,0]=4 587 B9R1.2 NCC1CCNC(=O)C1 C-3610 [0,1,0,1,0,0|1,0,0]=3 588 B9R1.2 NCC1CCNC(=O)C1 Q51820 [0,1,0,1,0,0|1,0,0]=3 589 B9R1.2 O=C1CC(CO)CCN1 C-3400 [0,1,0,1,0,0|1,0,0]=3 590 B9R1.2 O=C1CCCC(CCl)N1 Q59897 [0,1,0,1,0,0|2,0,0]=4 591 B9R1.2 O=C1CCCC(CO)N1 10055 [0,1,0,1,0,0|2,0,0]=4 592 B9R1.2 O=C1CCC[C@H](CO)N1 Q65248 [0,1,0,1,0,0|2,0,0]=4 593 B9R1.2 O=C1CCOC(CO)C1 Q54642 [0,1,0,1,0,0|2,0,0]=4 594 B9R1.3 CC1CCCC(=O)C1C Q59611 [0,1,0,1,0,0|1,0,0]=3 595 B9R1.3 C[C@@H]1CNCC(=O)N1C K13421 [0,1,0,1,0,0|2,0,0]=4 596 B9R1.5 CN1CCCNCC1=O G-7681 [0,1,0,1,0,0|2,0,0]=4 597 B9R1.5 CN1CCCNCC1=O O34334 [0,1,0,1,0,0|2,0,0]=4 598 B9R1.5 N[C@@H]1CCCCNC1=O O34511 [0,1,0,1,0,0|1,0,0]=3 599 B9R1.5 N[C@H]1CCCCNC1=O F-4004 [0,1,0,1,0,0|1,0,0]=3 600 B9R1.5 N[C@H]1CCCCNC1=O O34512 [0,1,0,1,0,0|1,0,0]=3 601 B9R1.11 C#CC(=O)N1CCCC1 L19199 [0,1,0,1,0,0|1,0,1]=4 602 B9R1.11 CNC(=O)C1CCCN1 O28788 [0,1,0,1,0,0|2,0,0]=4 603 B9R1.11 CNC(=O)C1CCNC1 O28288 [0,1,0,1,0,0|2,0,0]=4 604 B9R1.11 CNC(=O)[C@@H]1CCCN1 P38764 [0,1,0,1,0,0|2,0,0]=4 605 B9R1.11 CNC(=O)[C@H]1CCCN1 O28766 [0,1,0,1,0,0|2,0,0]=4 606 B9R1.11 COC(=O)C1CCNC1 G-5251 [0,1,0,1,0,0|2,0,0]=4 607 B9R1.11 COC(=O)C1CCOC1 G-5350 [0,1,0,1,0,0|2,0,0]=4 608 B9R1.11 COC(=O)[C@@H]1CCNC1 G-5253 [0,1,0,1,0,0|2,0,0]=4 609 B9R1.11 COC(=O)[C@@H]1CCNC1 L13624 [0,1,0,1,0,0|2,0,0]=4 610 B9R1.11 COC(=O)[C@@H]1CCOC1 I-9185 [0,1,0,1,0,0|2,0,0]=4 611 B9R1.11 COC(=O)[C@H]1CCNC1 G-5252 [0,1,0,1,0,0|2,0,0]=4 612 B9R1.11 COC(=O)[C@H]1CCNC1 G-6750 [0,1,0,1,0,0|2,0,0]=4 613 B9R1.11 COC(=O)[C@H]1CCOC1 L18447 [0,1,0,1,0,0|2,0,0]=4 614 B9R1.11 NCC(=O)C1CCCC1 L19802 [0,1,0,1,0,0|1,0,0]=3 615 B9R1.11 NCC(=O)N1CCCC1 10067 [0,1,0,1,0,0|1,0,0]=3 616 B9R1.11 NCC(=O)N1CCCC1 P38567 [0,1,0,1,0,0|1,0,0]=3 617 B9R1.17 CCCCOC1CNC1 P44423 [0,1,0,1,0,0|1,0,1]=4 618 B9R1.49 CN1CCNC(=O)CC1 O34314 [0,1,0,1,0,0|2,0,0]=4 619 B9R1.79 CCC(=O)NC1CNC1 P47079 [0,1,0,1,0,0|2,0,0]=4 620 B9R1.79 CNC(=O)NC1CNC1 P47041 [0,1,0,1,0,0|2,0,0]=4 621 B9R1.79 CNC(=O)NC1CNC1 P49948 [0,1,0,1,0,0|2,0,0]=4 622 B9R1.79 CNC(=O)OC1CNC1 P49999 [0,1,0,1,0,0|1,0,0]=3 623 B9R1.79 COC(=O)C=C1CCC1 P48215 [0,1,0,1,0,0|1,0,1]=4 624 B9R1.79 COC(=O)CC1CCC1 O28770 [0,1,0,1,0,0|1,0,0]=3 625 B9R1.79 COC(=O)CC1CNC1 C-3312 [0,1,0,1,0,0|2,0,0]=4 626 B9R1.79 COC(=O)CC1CNC1 C-3312-1 [0,1,0,1,0,0|2,0,0]=4 627 B9R1.79 COC(=O)CC1CNC1 P34702 [0,1,0,1,0,0|2,0,0]=4 628 B9R1.79 COC(=O)CC1COC1 G-5284 [0,1,0,1,0,0|2,0,0]=4 629 B9R1.79 COC(=O)NC1CNC1 P47019 [0,1,0,1,0,0|2,0,0]=4 630 B9R1.79 COC(=O)NC1CNC1 P48973 [0,1,0,1,0,0|2,0,0]=4 631 B9R1.79 O=C(CBr)CC1CCC1 P47346 [0,1,0,1,0,0|1,0,0]=3 632 B9R1.80 COC(=O)CNC1CC1 L20586 [0,1,0,1,0,0|2,0,0]=4 633 B9R1.80 COC(=O)CNC1CC1 P36966 [0,1,0,1,0,0|2,0,0]=4 634 B9R1.80 COC(=O)\C=C\C1CC1 O29404 [0,1,0,1,0,0|1,0,1]=4 635 B9R1.80 O=C(CCl)NCC1CC1 M23153 [0,1,0,1,0,0|1,0,0]=3 636 B9R1.81 COC(=O)C1CCC1N P48812 [0,1,0,1,0,0|2,0,0]=4 637 B9R1.81 COC(=O)C1CCN1C P45741 [0,1,0,1,0,0|2,0,0]=4 638 B9R1.81 COC(=O)C1CNC1C L14496 [0,1,0,1,0,0|2,0,0]=4 639 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N F-4529 [0,1,0,1,0,0|2,0,0]=4 640 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N G-6951 [0,1,0,1,0,0|2,0,0]=4 641 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N K12006 [0,1,0,1,0,0|2,0,0]=4 642 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N P48655 [0,1,0,1,0,0|2,0,0]=4 643 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N P50299 [0,1,0,1,0,0|2,0,0]=4 644 B9R1.81 COC(=O)[C@@H]1CC[C@H]1N P47008 [0,1,0,1,0,0|2,0,0]=4 645 B9R1.81 COC(=O)[C@@H]1CC[C@H]1N Q56097 [0,1,0,1,0,0|2,0,0]=4 646 B9R1.81 COC(=O)[C@@H]1CN[C@H]1C P50301 [0,1,0,1,0,0|2,0,0]=4 647 B9R1.81 COC(=O)[C@H]1CC[C@H]1N P48086 [0,1,0,1,0,0|2,0,0]=4 648 B9R1.81 COC(=O)[C@H]1CC[C@H]1N Q52809 [0,1,0,1,0,0|2,0,0]=4 649 B9R1.88 COC(=O)C1CC1CN I-9340 [0,1,0,1,0,0|2,0,0]=4 650 B9R1.88 COC(=O)[C@H]1C[C@@H]1CO Q54349 [0,1,0,1,0,0|2,0,0]=4 651 B9R1.118 CC1(C=O)CCCCC1 O31789 [0,1,0,1,0,0|1,0,1]=4 652 B9R1.132 CN1C(=O)CCC1CBr L20735 [0,1,0,1,0,0|2,0,0]=4 653 B9R1.132 CN1C(=O)CCC1CO M23749 [0,1,0,1,0,0|2,0,0]=4 654 B9R1.132 CN1C(=O)CC[C@@H]1CN Q64631 [0,1,0,1,0,0|2,0,0]=4 655 B9R1.132 CN1C(=O)CC[C@@H]1CO Q64630 [0,1,0,1,0,0|2,0,0]=4 656 B9R1.132 CN1C(=O)CC[C@H]1CO Q64629 [0,1,0,1,0,0|2,0,0]=4 657 B9R1.6 CC(=O)C1CCCCC1 I-9265 [0,1,0,1,0,0|1,0,0]=3 658 B9R1.6 CC(=O)C1CCCCN1 O30407 [0,1,0,1,0,0|1,0,0]=3 659 B9R1.6 CC(=O)C1CCCCN1 O30418 [0,1,0,1,0,0|1,0,0]=3 660 B9R1.6 CC(=O)C1CCCNC1 P35296 [0,1,0,1,0,0|1,0,0]=3 661 B9R1.6 CC(=O)C1CCCOC1 Q57702 [0,1,0,1,0,0|1,0,0]=3 662 B9R1.6 CC(=O)C1CCOCC1 I-9300 [0,1,0,1,0,0|1,0,0]=3 663 B9R1.6 CC(=O)C1CCSCC1 Q57990 [0,1,0,1,0,0|1,0,0]=3 664 B9R1.6 CC(N)C1CCCCO1 Q57678 [0,1,0,1,0,0|1,0,1]=4 665 B9R1.6 C[C@@H](N)C1CCCCO1 Q57872 [0,1,0,1,0,0|1,0,1]=4 666 B9R1.6 C[C@@H](N)C1CCCCO1 Q57873 [0,1,0,1,0,0|1,0,1]=4 667 B9R1.6 NC(=O)C1CCCCS1 Q57965 [0,1,0,1,0,0|1,1,0]=4 668 B9R1.6 NC(=O)C1CCNCC1 I-9159 [0,1,0,1,0,0|2,0,0]=4 669 B9R1.6 NC(=O)[C@@H]1CCCNC1 G-5263 [0,1,0,1,0,0|2,0,0]=4 670 B9R1.6 NC(=O)[C@@H]1CCCNC1 P44161 [0,1,0,1,0,0|2,0,0]=4 671 B9R1.6 NC(=O)[C@H]1CCCNC1 G-5264 [0,1,0,1,0,0|2,0,0]=4 672 B9R1.6 NC(=O)[C@H]1CCCNC1 P35476 [0,1,0,1,0,0|2,0,0]=4 673 B9R1.6 O=C(Cl)C1CCOCC1 O30883 [0,1,0,1,0,0|2,0,0]=4 674 B9R1.6 O=C(O)C1CCCCS1 Q57885 [0,1,0,1,0,0|1,1,0]=4 675 B9R1.6 O=C(O)C1CCCNC1 Q68914 [0,1,0,1,0,0|2,0,0]=4 676 B9R1.6 O=C(O)C1CCCNC1 Q68915 [0,1,0,1,0,0|2,0,0]=4 677 B9R1.6 O=C(O)C1CCCOC1 C-3481 [0,1,0,1,0,0|2,0,0]=4 678 B9R1.6 O=C(O)C1CCCSC1 G-5680 [0,1,0,1,0,0|2,0,0]=4 679 B9R1.6 O=C(O)C1CCOCC1 C-3267 [0,1,0,1,0,0|2,0,0]=4 680 B9R1.6 O=C(O)C1CCSCC1 I-9620 [0,1,0,1,0,0|2,0,0]=4 681 B9R1.6 O=C(O)C1CNCCO1 B-1026 [0,1,0,1,0,0|2,0,0]=4 682 B9R1.6 O=C(O)C1COCCO1 O34332 [0,1,0,1,0,0|2,0,0]=4 683 B9R1.6 O=C(O)[C@@H]1CCCCO1 L18365 [0,1,0,1,0,0|1,0,0]=3 684 B9R1.6 O=C(O)[C@@H]1CCCOC1 Q63448 [0,1,0,1,0,0|2,0,0]=4 685 B9R1.6 O=C(O)[C@@H]1CNCCO1 B-1027 [0,1,0,1,0,0|2,0,0]=4 686 B9R1.6 O=C(O)[C@@H]1COCCO1 O34581 [0,1,0,1,0,0|2,0,0]=4 687 B9R1.6 O=C(O)[C@H]1CCCCO1 L21810 [0,1,0,1,0,0|1,0,0]=3 688 B9R1.6 O=C(O)[C@H]1CCCOC1 Q63449 [0,1,0,1,0,0|2,0,0]=4 689 B9R1.6 O=C(O)[C@H]1CNCCO1 10203 [0,1,0,1,0,0|2,0,0]=4 690 B9R1.6 O=C(O)[C@H]1CNCCO1 B-1028 [0,1,0,1,0,0|2,0,0]=4 691 B9R1.6 O=C(O)[C@H]1COCCO1 O34574 [0,1,0,1,0,0|2,0,0]=4 692 B9R1.24 CCN1CCOS1(=O)=O G-5852 [0,1,0,1,0,0|2,0,0]=4 693 B9R1.67 CC(=O)OC1CCC1O P49892 [0,1,0,1,0,0|0,0,0]=2 694 B9R1.67 CC1CCN1CC(=O)O P47040 [0,1,0,1,0,0|2,0,0]=4 695 B9R1.67 CC1CCN1CC(=O)O P47963 [0,1,0,1,0,0|2,0,0]=4 696 B9R1.84 CC(=O)NCC1CNC1 P42074 [0,1,0,1,0,0|1,0,0]=3 697 B9R1.84 NC(=O)COC1CNC1 P48539 [0,1,0,1,0,0|2,0,0]=4 698 B9R1.84 NC(=O)COC1CNC1 P48745 [0,1,0,1,0,0|2,0,0]=4 699 B9R1.84 O=C(O)C#CC1CCC1 P48727 [0,1,0,1,0,0|2,0,0]=4 700 B9R1.84 O=C(O)CCC1CCC1 P34709 [0,1,0,1,0,0|2,0,0]=4 701 B9R1.84 O=C(O)CCC1CCO1 Q58424 [0,1,0,1,0,0|2,0,0]=4 702 B9R1.84 O=C(O)CNC1CCC1 I-9681 [0,1,0,1,0,0|2,0,0]=4 703 B9R1.84 O=C(O)COC1CCC1 P44175 [0,1,0,1,0,0|1,0,0]=3 704 B9R1.84 O=C(O)\C=C\C1CCC1 P44576 [0,1,0,1,0,0|2,0,0]=4 705 B9R1.84 O=C([O-])CCC1CCO1 Q57244 [0,1,0,1,0,0|2,0,0]=4 706 B9R1.85 O=C(O)COCC1CC1 P39397 [0,1,0,1,0,0|1,0,0]=3 707 B9R1.96 CC(=O)N1CCC1CO P46183 [0,1,0,1,0,0|1,0,0]=3 708 B9R1.96 CC(=O)N1CC[C@@H]1CO P46139 [0,1,0,1,0,0|1,0,0]=3 709 B9R1.96 CC(=O)N1CC[C@H]1CO P46142 [0,1,0,1,0,0|1,0,0]=3 710 B9R1.96 CCC1CCC1C(=O)O P47971 [0,1,0,1,0,0|2,0,0]=4 711 B9R1.96 CCC1CN[C@@H]1C(=O)O L21366 [0,1,0,1,0,0|2,0,0]=4 712 B9R1.96 CCN1CCC1C(=O)O P48309 [0,1,0,1,0,0|2,0,0]=4 713 B9R1.96 CCN1CC[C@H]1C(=O)O L14215 [0,1,0,1,0,0|2,0,0]=4 714 B9R1.96 CO[C@@H]1CC[C@@H]1C(=O)O P50796 [0,1,0,1,0,0|2,0,0]=4 715 B9R1.96 CO[C@@H]1CC[C@H]1C(=O)O P48367 [0,1,0,1,0,0|2,0,0]=4 716 B9R1.96 O=C(O)C1CCC1CF P48305 [0,1,0,1,0,0|2,0,0]=4 717 B9R1.96 O=C(O)N1CCC1CO P47009 [0,1,0,1,0,0|2,0,0]=4 718 B9R1.23 CN1CC(CBr)CC1=O L20739 [0,1,0,1,0,0|2,0,0]=4 719 B9R1.23 CN1CC(CN)CC1=O I-9450 [0,1,0,1,0,0|2,0,0]=4 720 B9R1.23 CN1CC(CN)CC1=O L18600 [0,1,0,1,0,0|2,0,0]=4 721 B9R1.23 CN1CC(CO)CC1=O L22372 [0,1,0,1,0,0|2,0,0]=4 722 B9R1.23 CN1C[C@@H](CN)CC1=O Q64125 [0,1,0,1,0,0|2,0,0]=4 723 B9R1.23 CN1C[C@H](CN)CC1=O Q64124 [0,1,0,1,0,0|2,0,0]=4 724 B9R1.35 CC(=O)N1CCC(I)C1 Q57221 [0,1,0,1,0,0|1,0,0]=3 725 B9R1.35 CC(=O)N1CCC(N)C1 L14137 [0,1,0,1,0,0|1,0,0]=3 726 B9R1.35 CC(=O)N1CC[C@@H](N)C1 P43139 [0,1,0,1,0,0|1,0,0]=3 727 B9R1.35 CC(=O)N1CC[C@@H](O)C1 G-5907 [0,1,0,1,0,0|1,0,0]=3 728 B9R1.35 CC(=O)N1CC[C@H](N)C1 P43073 [0,1,0,1,0,0|1,0,0]=3 729 B9R1.35 C[C@@H]1CC[C@@H](C(=O)O)N1 O32949 [0,1,0,1,0,0|2,0,0]=4 730 B9R1.35 C[C@@H]1CC[C@@H](C(=O)O)N1 Q53020 [0,1,0,1,0,0|2,0,0]=4 731 B9R1.35 C[C@@H]1CC[C@H](C(=O)O)N1 Q53019 [0,1,0,1,0,0|2,0,0]=4 732 B9R1.35 C[C@H]1CC[C@@H](C(=O)O)N1 Q52436 [0,1,0,1,0,0|2,0,0]=4 733 B9R1.35 C[C@H]1CC[C@@H](C(=O)O)N1 Q52437 [0,1,0,1,0,0|2,0,0]=4 734 B9R1.35 C[C@H]1CC[C@H](C(=O)O)N1 O32956 [0,1,0,1,0,0|2,0,0]=4 735 B9R1.35 NC(=O)N1CCC(N)C1 Q59176 [0,1,0,1,0,0|2,0,0]=4 736 B9R1.35 NC1CCC(C(=O)O)C1 G-7403 [0,1,0,1,0,0|2,0,0]=4 737 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 10009 [0,1,0,1,0,0|2,0,0]=4 738 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 F-4734 [0,1,0,1,0,0|2,0,0]=4 739 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 L21283 [0,1,0,1,0,0|2,0,0]=4 740 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 10164 [0,1,0,1,0,0|2,0,0]=4 741 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 P44640 [0,1,0,1,0,0|2,0,0]=4 742 B9R1.35 N[C@H]1CC[C@H](C(=O)O)C1 L21252 [0,1,0,1,0,0|2,0,0]=4 743 B9R1.35 N[C@H]1CC[C@H](C(=O)O)C1 Q52275 [0,1,0,1,0,0|2,0,0]=4 744 B9R1.35 O=C(O)C1CCC(F)C1 Q54410 [0,1,0,1,0,0|2,0,0]=4 745 B9R1.35 O=C(O)[C@@H]1CC[C@@H](F)C1 Q61734 [0,1,0,1,0,0|2,0,0]=4 746 B9R1.35 O=C(O)[C@@H]1CC[C@@H](F)C1 Q63412 [0,1,0,1,0,0|2,0,0]=4 747 B9R1.35 O=C(O)[C@@H]1CC[C@@H](O)C1 Q63408 [0,1,0,1,0,0|2,0,0]=4 748 B9R1.35 O=C(O)[C@@H]1CC[C@H](F)C1 Q61733 [0,1,0,1,0,0|2,0,0]=4 749 B9R1.35 O=C(O)[C@@H]1CC[C@H](F)C1 Q63414 [0,1,0,1,0,0|2,0,0]=4 750 B9R1.35 O=C(O)[C@@H]1CC[C@H](O)C1 Q63410 [0,1,0,1,0,0|2,0,0]=4 751 B9R1.35 O=C(O)[C@H]1CC[C@@H](F)C1 Q63413 [0,1,0,1,0,0|2,0,0]=4 752 B9R1.35 O=C(O)[C@H]1CC[C@@H](O)C1 Q63409 [0,1,0,1,0,0|2,0,0]=4 753 B9R1.35 O=C(O)[C@H]1CC[C@H](F)C1 Q63411 [0,1,0,1,0,0|2,0,0]=4 754 B9R1.35 O=C(O)[C@H]1CC[C@H](O)C1 Q63407 [0,1,0,1,0,0|2,0,0]=4 755 B9R1.35 O=C1NC(C(F)F)CO1 P47208 [0,1,0,1,0,0|2,0,0]=4 756 B9R1.35 O=C1N[C@H](C(F)F)CO1 P46407 [0,1,0,1,0,0|2,0,0]=4 757 B9R1.69 CC1CC(=O)CCC1O P44912 [0,1,0,1,0,0|1,0,0]=3 758 B9R1.69 CN1CCC(N)CC1=O C-2257 [0,1,0,1,0,0|2,0,0]=4 759 B9R1.69 C[C@@H]1CC(=O)CC[C@H]1O P49131 [0,1,0,1,0,0|1,0,0]=3 760 B9R1.69 C[C@@H]1CCC(=O)CN1C Q56726 [0,1,0,1,0,0|2,0,0]=4 761 B9R1.69 C[C@H]1CCC(=O)CN1C Q56727 [0,1,0,1,0,0|2,0,0]=4 762 B9R1.95 CC(=O)N1CC(CN)C1 P47074 [0,1,0,1,0,0|2,0,0]=4 763 B9R1.95 CC(=O)N1CC(CO)C1 P48310 [0,1,0,1,0,0|2,0,0]=4 764 B9R1.95 CCC1CC(C(=O)O)C1 P45348 [0,1,0,1,0,0|2,0,0]=4 765 B9R1.110 CC(=O)N(C)C1CNC1 G-5720 [0,1,0,1,0,0|2,0,0]=4 766 B9R1.110 CC(C(=O)O)C1CCC1 P49848 [0,1,0,1,0,0|2,0,0]=4 767 B9R1.110 NC(C(=O)O)C1CCC1 G-7603 [0,1,0,1,0,0|2,0,0]=4 768 B9R1.110 NC(C(=O)O)C1CCC1 P48639 [0,1,0,1,0,0|2,0,0]=4 769 B9R1.110 N[C@@H](C(=O)O)C1CCC1 I-9625 [0,1,0,1,0,0|2,0,0]=4 770 B9R1.110 O=C(O)C(O)C1CCC1 P48825 [0,1,0,1,0,0|2,0,0]=4 771 B9R1.110 O=C(O)[C@@H](O)C1CCC1 P45090 [0,1,0,1,0,0|2,0,0]=4 772 B9R1.110 O=C(O)[C@H](O)C1CCC1 P46146 [0,1,0,1,0,0|2,0,0]=4 773 B9R1.112 NC(=O)C(N)CC1CC1 P50523 [0,1,0,1,0,0|2,0,0]=4 774 B9R1.112 NC(CC1CC1)C(=O)O O28074 [0,1,0,1,0,0|2,0,0]=4 775 B9R1.112 N[C@@H](CC1CC1)C(=O)O O28950 [0,1,0,1,0,0|2,0,0]=4 776 B9R1.112 N[C@H](CC1CC1)C(=O)O O28870 [0,1,0,1,0,0|2,0,0]=4 777 B9R1.112 O=C(O)[C@@H](O)CC1CC1 P38965 [0,1,0,1,0,0|2,0,0]=4 778 B9R1.112 O=C(O)[C@H](O)CC1CC1 P40522 [0,1,0,1,0,0|2,0,0]=4 779 B9R1.163 CC1(C(=O)O)CCCC1 Q61035 [0,1,0,1,0,0|2,0,0]=4 780 B9R1.163 O=C(O)C1(F)CCCC1 Q57009 [0,1,0,1,0,0|2,0,0]=4 781 B9R1.125 CC1(CO)CNC(=O)C1 Q61575 [0,1,0,1,0,0|2,0,0]=4 782 B9R1.114 CS(=O)(=O)OC1CNC1 O28156 [0,1,0,1,0,0|2,0,0]=4 783 B9R1.114 CS(=O)(=O)OC1COC1 P41125 [0,1,0,1,0,0|2,0,0]=4 784 B9R1.166 CC1(C)CCC1C(=O)O P45623 [0,1,0,1,0,0|2,0,0]=4 785 B9R2.33 O=C1CC2CCC2C1 Q54738 [0,0,0,2,0,0|1,0,0]=3 786 B9R2.33 O=C1NC2CCC2O1 Q58026 [0,0,0,2,0,0|1,0,0]=3 787 B9R2.39 O=C1CC2CC1CN2 P47120 [0,0,0,2,0,0|2,0,0]=4 788 B9R2.39 O=C1CC2CC1CO2 P49791 [0,0,0,2,0,0|2,0,0]=4 789 B9R2.39 O=C1CC2CCC1O2 P45436 [0,0,0,2,0,0|2,0,0]=4 790 B9R2.39 O=C1CC2CNC1C2 P46610 [0,0,0,2,0,0|2,0,0]=4 791 B9R2.39 O=C1CN2CCC1C2 P44394 [0,0,0,2,0,0|2,0,0]=4 792 B9R2.39 O=C1C[C@@H]2CC[C@H]1C2 P45557 [0,0,0,2,0,0|1,0,0]=3 793 B9R2.39 O=C1C[C@@H]2CC[C@H]1C2 Q52554 [0,0,0,2,0,0|1,0,0]=3 794 B9R2.39 O=C1C[C@H]2C[C@@H]1CN2 P49261 [0,0,0,2,0,0|2,0,0]=4 795 B9R2.39 O=C1NC2CCC1C2 P45900 [0,0,0,2,0,0|2,0,0]=4 796 B9R2.39 O=C1OC2CCC1C2 P45453 [0,0,0,2,0,0|2,0,0]=4 797 B9R2.139 O=C1CC2(CC2)CO1 O33397 [0,0,0,2,0,0|0,0,0]=2 798 B9R2.139 O=C1CCC2(CC2)C1 Q62619 [0,0,0,2,0,0|1,0,0]=3 799 B9R2.8 O=C1CC2CC(C1)C2 P47305 [0,0,0,2,0,0|1,0,0]=3 800 B9R2.21 O=C1CC2CC2CN1 Q53445 [0,0,0,2,0,0|1,0,0]=3 801 B9R2.21 O=C1CCC2CC2N1 Q53446 [0,0,0,2,0,0|1,0,0]=3 802 B9R2.38 CC12CC(=O)CC1C2 Q63055 [0,0,0,2,0,0|1,0,0]=3 803 B9R2.109 O=C1CCCC2CC12 H-8032 [0,0,0,2,0,0|1,0,0]=3 804 B9R2.109 O=C1CCCC2OC12 10693 [0,0,0,2,0,0|2,0,0]=4 805 B9R2.109 O=C1COCC2CC12 Q63936 [0,0,0,2,0,0|2,0,0]=4 806 B9R2.109 O=C1NCCC2CC12 Q61174 [0,0,0,2,0,0|1,0,0]=3 807 B9R2.7 O=C1CC2CNCC12 Q55051 [0,0,0,2,0,0|2,0,0]=4 808 B9R2.41 O=C1CC(C2CC2)C1 L14529 [0,0,0,2,0,0|1,0,0]=3 809 B9R2.138 O=C1CC2(CCC2)C1 I-9995 [0,0,0,2,0,0|1,0,0]=3 810 B9R2.138 O=C1CC2(CCC2)N1 Q70166 [0,0,0,2,0,0|1,0,0]=3 811 B9R2.138 O=C1CC2(CNC2)C1 F-4151 [0,0,0,2,0,0|2,0,0]=4 812 B9R2.138 O=C1CC2(CNC2)C1 L14187 [0,0,0,2,0,0|2,0,0]=4 813 B9R2.138 O=C1CC2(CNC2)C1 Q52715 [0,0,0,2,0,0|2,0,0]=4 814 B9R2.138 O=C1CC2(COC2)C1 G-5107 [0,0,0,2,0,0|2,0,0]=4 815 B9R2.138 O=C1CC2(CSC2)C1 G-7804 [0,0,0,2,0,0|2,0,0]=4 816 B9R2.144 O=C(O)C12CCC1C2 Q54741 [0,0,0,2,0,0|2,0,0]=4 817 B9R2.147 O=C(O)C1C2CC1C2 Q53412 [0,0,0,2,0,0|2,0,0]=4 818 B9R2.143 O=C(O)C1CC12CC2 L18059 [0,0,0,2,0,0|2,0,0]=4