0 B7R0.4 C#CCCCC(=O)O H43301 [0,0,0,0,0,0|0,0,4]=4 1 B7R0.4 CC(=O)CCCCBr B41532 [0,0,0,0,0,0|2,0,2]=4 2 B7R0.4 CC(=O)OCCCBr B41266 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.4 CC(=O)OCCCCl C39190 [0,0,0,0,0,0|3,0,1]=4 4 B7R0.4 CCCCCB(O)O P38628 [0,0,0,0,0,0|1,0,3]=4 5 B7R0.4 CCCCC[C@H](C)O H43947 [0,0,0,0,0,0|1,0,3]=4 6 B7R0.4 CCCCOC(N)=O B39165 [0,0,0,0,0,0|2,0,1]=3 7 B7R0.4 CCCOCC(=O)O P40387 [0,0,0,0,0,0|1,0,1]=2 8 B7R0.4 CCC\C=C\C(=O)O H41460 [0,0,0,0,0,0|0,0,0]=0 9 B7R0.4 CCOC=CC(=O)O E41226 [0,0,0,0,0,0|1,0,0]=1 10 B7R0.4 CNCCCC(=O)O M63276 [0,0,0,0,0,0|1,0,2]=3 11 B7R0.4 COCCCC(=O)O M67387 [0,0,0,0,0,0|1,0,2]=3 12 B7R0.4 COCCNC(N)=O M36648 [0,0,0,0,0,0|3,0,1]=4 13 B7R0.4 COC\C=C\C(=O)O M63576 [0,0,0,0,0,0|1,0,0]=1 14 B7R0.4 N#CCCCC(=O)O C41166 [0,0,0,0,0,0|1,0,3]=4 15 B7R0.4 NC(=O)COCCCl C40247 [0,0,0,0,0,0|3,0,1]=4 16 B7R0.4 O=C(O)CCCCBr B39187 [0,0,0,0,0,0|1,0,2]=3 17 B7R0.4 O=C(O)CCCCCl C39191 [0,0,0,0,0,0|1,0,2]=3 18 B7R0.4 O=C(O)CCCCO H37199 [0,0,0,0,0,0|1,0,2]=3 19 B7R0.4 O=C(O)CNCCO H40270 [0,0,0,0,0,0|2,0,1]=3 20 B7R0.4 O=C(O)COCCCl C40236 [0,0,0,0,0,0|2,0,1]=3 21 B7R0.4 O=C([O-])CCCCO S41306 [0,0,0,0,0,0|1,0,3]=4 22 B6R0.4 C#CCCC(=O)O P68088 [1,0,0,0,0,0|0,0,3]=4 23 B6R0.4 C=CCCC(=O)O P37823 [1,0,0,0,0,0|0,0,3]=4 24 B6R0.4 C=C\C=C/C(=O)O P41118 [1,0,0,0,0,0|0,0,2]=3 25 B6R0.4 CC(=O)CCCCl C68599 [1,0,0,0,0,0|2,0,1]=4 26 B6R0.4 CC(=O)NCCN A68626 [1,0,0,0,0,0|3,0,0]=4 27 B6R0.4 CC(=O)NCCO H68625 [1,0,0,0,0,0|3,0,0]=4 28 B6R0.4 CC(=O)OCCBr B67892 [1,0,0,0,0,0|3,0,0]=4 29 B6R0.4 CC(C)=CCCBr B0351 [1,0,0,0,0,0|3,0,0]=4 30 B6R0.4 CC(C)=CCC[Mg+] M31885 [1,0,0,0,0,0|3,0,0]=4 31 B6R0.4 CCCCC(=N)N P41343 [1,0,0,0,0,0|2,0,1]=4 32 B6R0.4 CCCCC(=O)[O-] S38573 [1,0,0,0,0,0|0,0,2]=3 33 B6R0.4 CCCOC(N)=O P40264 [1,0,0,0,0,0|2,0,0]=3 34 B6R0.4 CNCCC(=O)O M40350 [1,0,0,0,0,0|1,0,1]=3 35 B6R0.4 COC=CC(C)=O M41222 [1,0,0,0,0,0|2,0,0]=3 36 B6R0.4 COCCC(=O)O M40255 [1,0,0,0,0,0|1,0,1]=3 37 B6R0.4 N#CCCC(=O)O C69146 [1,0,0,0,0,0|1,0,2]=4 38 B6R0.4 NCCCC(N)=O A40304 [1,0,0,0,0,0|2,0,1]=4 39 B6R0.4 O=C(O)CCCBr B39154 [1,0,0,0,0,0|1,0,1]=3 40 B6R0.4 O=C(O)CCCCl C40232 [1,0,0,0,0,0|1,0,1]=3 41 B6R0.4 O=C(O)\C=C\CBr B37272 [1,0,0,0,0,0|1,0,0]=2 42 B6R0.6 CC=CCCCO H41548 [1,0,0,0,0,0|2,0,1]=4 43 B6R0.6 CCC\C=C\CO H41550 [1,0,0,0,0,0|0,0,1]=2 44 B6R0.6 C\C=C\C=C\CO H69109 [1,0,0,0,0,0|0,0,3]=4 45 B6R0.6 O=CCCCCCl C41277 [1,0,0,0,0,0|1,0,2]=4 46 B6R0.6 O=CCCCCO H32202 [1,0,0,0,0,0|1,0,2]=4 47 B8R0.5 CCC[C@H](N)CC(=O)O A43488 [0,1,0,0,0,0|0,0,2]=3 48 B8R0.5 CCC\C(C)=C\C(=O)O M62391 [0,1,0,0,0,0|0,0,0]=1 49 B8R0.5 CCOC(=O)CC(=O)[O-] P39163 [0,1,0,0,0,0|1,0,2]=4 50 B8R0.5 CCOC(=O)CC(N)=O E38643 [0,1,0,0,0,0|2,0,1]=4 51 B8R0.6 CCCC=CC(=O)OC M43802 [0,1,0,0,0,0|0,0,0]=1 52 B8R0.6 CCCCCC(=O)CBr B43868 [0,1,0,0,0,0|1,0,2]=4 53 B8R0.6 CCCCNC(=O)CCl B41547 [0,1,0,0,0,0|2,0,1]=4 54 B8R0.6 CNCCCC(=O)OC M43486 [0,1,0,0,0,0|1,0,2]=4 55 B8R0.6 COC(=O)CCCCBr M41523 [0,1,0,0,0,0|1,0,2]=4 56 B8R0.6 COC(=O)CCCCCl M63406 [0,1,0,0,0,0|1,0,2]=4 57 B8R0.6 COC(=O)CCCCN M43490 [0,1,0,0,0,0|1,0,2]=4 58 B8R0.6 COC(=O)COCCCl M41275 [0,1,0,0,0,0|2,0,1]=4 59 B8R0.6 COCCCC(=O)OC M68350 [0,1,0,0,0,0|1,0,2]=4 60 B8R0.7 C#CCCCCC(=O)O H43713 [0,1,0,0,0,0|0,0,3]=4 61 B8R0.7 C=CCCCCC(=O)O H63383 [0,1,0,0,0,0|0,0,3]=4 62 B8R0.7 COCCOCC(=O)O M37948 [0,1,0,0,0,0|1,0,1]=3 63 B8R0.7 NCCOCCC(=O)O A40415 [0,1,0,0,0,0|1,0,2]=4 64 B8R0.7 O=C(O)CCCCCBr B67880 [0,1,0,0,0,0|0,0,2]=3 65 B8R0.7 O=C(O)CCCCCCl C41527 [0,1,0,0,0,0|0,0,2]=3 66 B8R0.7 O=C(O)CCOCCBr B41274 [0,1,0,0,0,0|1,0,2]=4 67 B8R0.7 O=C([O-])CCCCCO P41406 [0,1,0,0,0,0|0,0,3]=4 68 B8R0.8 CCCC[C@H](N)C(=O)O A68582 [0,1,0,0,0,0|0,0,2]=3 69 B8R0.8 CSCC[C@H](N)C(=O)O M60616 [0,1,0,0,0,0|1,0,2]=4 70 B8R0.9 COC(=O)\C=C\C(=O)O M60916 [0,1,0,0,0,0|1,0,1]=3 71 B8R0.28 CC(=O)CCCC(=O)O A41468 [0,1,0,0,0,0|0,0,3]=4 72 B8R0.28 CN(C)CCCC(=O)O D43497 [0,1,0,0,0,0|1,0,2]=4 73 B8R0.28 CN(C)C\C=C\C(=O)O D25643 [0,1,0,0,0,0|1,0,0]=2 74 B8R1.1 CC1=CC=C(CN)O1 M37131 [0,0,0,1,0,0|2,0,1]=4 75 B8R1.1 CC1=CC=C(CO)O1 M43304 [0,0,0,1,0,0|2,0,1]=4 76 B8R1.1 CCC1=CC=C(C)S1 E43745 [0,0,0,1,0,0|1,1,1]=4 77 B8R1.1 NC[C@@H]1CNC(=O)O1 A27512 [0,0,0,1,0,0|2,0,1]=4 78 B8R1.1 NC[C@H]1CNC(=O)O1 A10733 [0,0,0,1,0,0|2,0,1]=4 79 B8R1.1 NC[C@H]1CNC(=O)O1 A21197 [0,0,0,1,0,0|2,0,1]=4 80 B8R1.1 O=C1CC[C@@H](CO)O1 H41229 [0,0,0,1,0,0|1,0,2]=4 81 B8R1.1 O=C1CC[C@H](CBr)O1 B66357 [0,0,0,1,0,0|1,0,2]=4 82 B8R1.1 O=C1CC[C@H](CI)O1 I2850 [0,0,0,1,0,0|1,0,2]=4 83 B8R1.1 O=C1CC[C@H](CO)O1 H5013 [0,0,0,1,0,0|1,0,2]=4 84 B8R1.1 O=C1NC[C@@H](CCl)O1 C40210 [0,0,0,1,0,0|2,0,1]=4 85 B8R1.1 O=C1NC[C@@H](CO)O1 H26969 [0,0,0,1,0,0|2,0,1]=4 86 B8R1.1 O=C1NC[C@H](CO)O1 H25217 [0,0,0,1,0,0|2,0,1]=4 87 B8R1.4 CC1=CC=CC(=O)N1 M23064 [0,0,0,1,0,0|1,0,2]=4 88 B8R1.4 CC1=NC=CC(=O)N1 M41026 [0,0,0,1,0,0|2,0,1]=4 89 B8R1.4 CC1=NC=CC(O)=C1 H1019 [0,0,0,1,0,0|2,0,1]=4 90 B8R1.4 CC1=NC=CC(O)=N1 M69189 [0,0,0,1,0,0|2,0,1]=4 91 B8R1.4 C[C@@H]1CNCC(=O)N1 M13313 [0,0,0,1,0,0|2,0,1]=4 92 B8R1.4 C[C@@H]1COCC(=O)N1 M17373 [0,0,0,1,0,0|2,0,1]=4 93 B8R1.4 C[C@H]1CCCC(=O)N1 M23832 [0,0,0,1,0,0|1,0,2]=4 94 B8R1.4 C[C@H]1CCNC(=O)C1 M23793 [0,0,0,1,0,0|2,0,1]=4 95 B8R1.4 C[C@H]1CNCC(=O)N1 M11164 [0,0,0,1,0,0|2,0,1]=4 96 B8R1.7 CC(=O)C1CCCC1 C69351 [0,0,0,1,0,0|1,0,2]=4 97 B8R1.7 NC(=O)[C@@H]1CCCN1 P23637 [0,0,0,1,0,0|2,0,1]=4 98 B8R1.7 NC(=O)[C@@H]1CCCN1 P64914 [0,0,0,1,0,0|2,0,1]=4 99 B8R1.7 NC(=O)[C@@H]1CCCN1 P67734 [0,0,0,1,0,0|2,0,1]=4 100 B8R1.7 NC(=O)[C@H]1CCCN1 P40370 [0,0,0,1,0,0|2,0,1]=4 101 B8R1.7 O=C(O)C1=CC=CN1 P24658 [0,0,0,1,0,0|1,0,2]=4 102 B8R1.7 O=C(O)C1=CC=CO1 F38499 [0,0,0,1,0,0|1,0,2]=4 103 B8R1.7 O=C(O)C1=CC=CS1 T69312 [0,0,0,1,0,0|1,0,2]=4 104 B8R1.7 O=C(O)C1=CC=NO1 K40064 [0,0,0,1,0,0|2,0,1]=4 105 B8R1.7 O=C(O)C1=CC=NS1 T40063 [0,0,0,1,0,0|2,0,1]=4 106 B8R1.7 O=C(O)C1=CCCC1 C43305 [0,0,0,1,0,0|0,0,0]=1 107 B8R1.7 O=C(O)C1=CN=CO1 O9363 [0,0,0,1,0,0|2,0,1]=4 108 B8R1.7 O=C(O)C1=CN=CS1 T2164 [0,0,0,1,0,0|2,0,1]=4 109 B8R1.7 O=C(O)C1=CNN=C1 P10474 [0,0,0,1,0,0|2,0,1]=4 110 B8R1.7 O=C(O)C1=CNN=N1 T38190 [0,0,0,1,0,0|3,0,0]=4 111 B8R1.7 O=C(O)C1=COC=C1 F14351 [0,0,0,1,0,0|1,0,2]=4 112 B8R1.7 O=C(O)C1=COC=N1 X9342 [0,0,0,1,0,0|2,0,1]=4 113 B8R1.7 O=C(O)C1=COCC1 D8190 [0,0,0,1,0,0|1,0,0]=2 114 B8R1.7 O=C(O)C1=CON=C1 X24704 [0,0,0,1,0,0|2,0,1]=4 115 B8R1.7 O=C(O)C1=CSC=C1 T12825 [0,0,0,1,0,0|1,0,2]=4 116 B8R1.7 O=C(O)C1=CSC=N1 T2163 [0,0,0,1,0,0|2,0,1]=4 117 B8R1.7 O=C(O)C1=CSN=C1 T40062 [0,0,0,1,0,0|2,0,1]=4 118 B8R1.7 O=C(O)C1=CSN=N1 T61264 [0,0,0,1,0,0|3,0,0]=4 119 B8R1.7 O=C(O)C1=NNC=C1 P9459 [0,0,0,1,0,0|2,0,1]=4 120 B8R1.7 O=C(O)C1=NOC=C1 I12360 [0,0,0,1,0,0|2,0,1]=4 121 B8R1.7 O=C(O)C1=NON=C1 X39804 [0,0,0,1,0,0|3,0,0]=4 122 B8R1.7 O=C(O)C1=NSC=C1 I6110 [0,0,0,1,0,0|2,0,1]=4 123 B8R1.7 O=C(O)C1CCCC1 C23144 [0,0,0,1,0,0|0,0,2]=3 124 B8R1.7 O=C(O)[C@@H]1C=CCN1 D41170 [0,0,0,1,0,0|1,0,2]=4 125 B8R1.7 O=C(O)[C@@H]1C=CCN1 D41356 [0,0,0,1,0,0|1,0,2]=4 126 B8R1.7 O=C(O)[C@@H]1CCCN1 P69799 [0,0,0,1,0,0|1,0,1]=3 127 B8R1.7 O=C(O)[C@@H]1CCCO1 T37842 [0,0,0,1,0,0|1,0,1]=3 128 B8R1.7 O=C(O)[C@@H]1CCCO1 X25975 [0,0,0,1,0,0|1,0,1]=3 129 B8R1.7 O=C(O)[C@@H]1CCCS1 T41225 [0,0,0,1,0,0|1,0,1]=3 130 B8R1.7 O=C(O)[C@@H]1CCNC1 P12309 [0,0,0,1,0,0|1,0,2]=4 131 B8R1.7 O=C(O)[C@@H]1CCNC1 P6961 [0,0,0,1,0,0|1,0,2]=4 132 B8R1.7 O=C(O)[C@@H]1CCOC1 T1673 [0,0,0,1,0,0|1,0,2]=4 133 B8R1.7 O=C(O)[C@@H]1COCN1 X40338 [0,0,0,1,0,0|2,0,1]=4 134 B8R1.7 O=C(O)[C@H]1CCCO1 T25974 [0,0,0,1,0,0|1,0,1]=3 135 B8R1.7 O=C(O)[C@H]1CCNC1 P1152 [0,0,0,1,0,0|1,0,2]=4 136 B8R1.7 O=C(O)[C@H]1CCNC1 P1524 [0,0,0,1,0,0|1,0,2]=4 137 B8R1.7 O=C(O)[C@H]1CCNC1 P15767 [0,0,0,1,0,0|1,0,2]=4 138 B8R1.7 O=C(O)[C@H]1CCNC1 P41372 [0,0,0,1,0,0|1,0,2]=4 139 B8R1.7 O=C(O)[C@H]1CCOC1 T0394 [0,0,0,1,0,0|1,0,2]=4 140 B8R1.7 O=C(O)[C@H]1CCOC1 T0395 [0,0,0,1,0,0|1,0,2]=4 141 B8R1.7 O=C(O)[C@H]1CSCN1 T63317 [0,0,0,1,0,0|2,0,1]=4 142 B8R1.7 OB(O)C1=CCCC1 C41265 [0,0,0,1,0,0|1,0,1]=3 143 B8R1.22 O=C1C=CCCCC1 C67890 [0,0,0,1,0,0|1,0,0]=2 144 B8R1.22 O=C1CNCCCN1 D38834 [0,0,0,1,0,0|2,0,1]=4 145 B8R1.31 CC1NCC1C(=O)O M27890 [0,0,0,1,0,0|1,0,2]=4 146 B8R1.31 CN1CC[C@@H]1C(=O)O M22677 [0,0,0,1,0,0|1,0,2]=4 147 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O A30118 [0,0,0,1,0,0|1,0,1]=3 148 B8R1.31 N[C@@H]1CC[C@@H]1C(=O)O A13712 [0,0,0,1,0,0|1,0,2]=4 149 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O A13711 [0,0,0,1,0,0|1,0,2]=4 150 B8R1.31 N[C@H]1CC[C@@H]1C(=O)O A13334 [0,0,0,1,0,0|1,0,2]=4 151 B8R1.31 N[C@H]1CC[C@H]1C(=O)O A13518 [0,0,0,1,0,0|1,0,2]=4 152 B8R1.31 N[C@H]1CC[C@H]1C(=O)O A29882 [0,0,0,1,0,0|1,0,2]=4 153 B8R1.31 O=C(O)C1CCC1F F59749 [0,0,0,1,0,0|1,0,2]=4 154 B8R1.34 O=C(O)C=C1CCC1 C10691 [0,0,0,1,0,0|0,0,0]=1 155 B8R1.34 O=C(O)CC1CCC1 C24745 [0,0,0,1,0,0|0,0,2]=3 156 B8R1.34 O=C(O)CC1CNC1 A10213 [0,0,0,1,0,0|1,0,2]=4 157 B8R1.34 O=C(O)CC1COC1 X6649 [0,0,0,1,0,0|1,0,2]=4 158 B8R1.35 O=C(O)\C=C\C1CC1 C29885 [0,0,0,1,0,0|0,0,0]=1 159 B5R0.1 C#CCC(=O)O B38084 [2,0,0,0,0,0|0,0,2]=4 160 B5R0.1 CC#CC(=O)O B67945 [2,0,0,0,0,0|0,0,2]=4 161 B5R0.1 CC(=O)CCCl C69539 [2,0,0,0,0,0|2,0,0]=4 162 B5R0.1 CCCB(O)O P5056 [2,0,0,0,0,0|1,0,1]=4 163 B5R0.1 CNCC(=O)O M68590 [2,0,0,0,0,0|1,0,0]=3 164 B5R0.1 CNCC(N)=O M68358 [2,0,0,0,0,0|2,0,0]=4 165 B5R0.1 COCC(=O)O M69331 [2,0,0,0,0,0|1,0,0]=3 166 B5R0.1 NCCC(N)=O A67869 [2,0,0,0,0,0|2,0,0]=4 167 B5R0.1 NCC[P@H](=O)O A39788 [2,0,0,0,0,0|2,0,0]=4 168 B5R0.1 NOCC(=O)O C40302 [2,0,0,0,0,0|2,0,0]=4 169 B5R0.1 O=C(O)\C=C\Br B9431 [2,0,0,0,0,0|1,0,0]=3 170 B5R0.2 C=CCCCBr B41237 [2,0,0,0,0,0|1,0,1]=4 171 B5R0.2 C=CCCCCl C41238 [2,0,0,0,0,0|1,0,1]=4 172 B5R0.2 C=CCCCO P36921 [2,0,0,0,0,0|1,0,1]=4 173 B5R0.2 CCO\C=C/Br B2725 [2,0,0,0,0,0|2,0,0]=4 174 B5R0.2 OC\C=C\CO B64254 [2,0,0,0,0,0|1,0,1]=4 175 B7R0.2 CCC(=O)CC(C)=O H69646 [1,1,0,0,0,0|1,0,1]=4 176 B7R0.2 CCC(=O)OC(C)=O A41227 [1,1,0,0,0,0|2,0,0]=4 177 B7R0.2 CC[C@H](C)CC(=O)O M41552 [1,1,0,0,0,0|0,0,1]=3 178 B7R0.2 CC[C@H](N)CC(=O)O A69512 [1,1,0,0,0,0|0,0,1]=3 179 B7R0.2 COC(=O)CC(=O)O M37882 [1,1,0,0,0,0|1,0,1]=4 180 B7R0.2 NC[C@@H](O)CC(=O)O A32052 [1,1,0,0,0,0|1,0,1]=4 181 B7R0.2 NC[C@H](O)CC(=O)O A67723 [1,1,0,0,0,0|1,0,1]=4 182 B7R0.2 N[C@@H](CO)CC(=O)O A38154 [1,1,0,0,0,0|1,0,1]=4 183 B7R0.3 CCCCC(=O)NN P40425 [1,1,0,0,0,0|1,0,1]=4 184 B7R0.3 CCCOC(=O)OC M40388 [1,1,0,0,0,0|1,0,0]=3 185 B7R0.3 CNCCC(=O)OC M40412 [1,1,0,0,0,0|1,0,1]=4 186 B7R0.3 COC(=O)C=CCBr M37461 [1,1,0,0,0,0|1,0,0]=3 187 B7R0.3 COC(=O)CCCBr M39189 [1,1,0,0,0,0|1,0,1]=4 188 B7R0.3 COC(=O)CCCCl M60517 [1,1,0,0,0,0|1,0,1]=4 189 B7R0.3 COC(=O)CCCN M32376 [1,1,0,0,0,0|1,0,1]=4 190 B7R0.3 COC(=O)\C=C\CBr M41176 [1,1,0,0,0,0|1,0,0]=3 191 B7R0.3 COC=CC(=O)OC M39186 [1,1,0,0,0,0|1,0,0]=3 192 B7R0.3 CO\C=C\C(=O)OC M41228 [1,1,0,0,0,0|1,0,0]=3 193 B7R0.5 CCC=C(C)C(=O)O M39198 [1,1,0,0,0,0|0,0,0]=2 194 B7R0.5 CCC[C@@H](N)C(=O)O N40406 [1,1,0,0,0,0|0,0,1]=3 195 B7R0.5 CCC[C@H](O)C(=O)O H40390 [1,1,0,0,0,0|0,0,1]=3 196 B7R0.5 CCOC(=O)C(=O)O E36772 [1,1,0,0,0,0|1,0,0]=3 197 B7R0.5 CCOC(=O)C(C)=O E60800 [1,1,0,0,0,0|2,0,0]=4 198 B7R0.5 CCOC(=O)C(N)=O E60589 [1,1,0,0,0,0|2,0,0]=4 199 B7R0.5 CC\C=C(/C)C(=O)O M41462 [1,1,0,0,0,0|0,0,0]=2 200 B7R0.5 COC[C@@H](N)C(=O)O A40353 [1,1,0,0,0,0|1,0,1]=4 201 B7R0.5 COC[C@@H](N)C(=O)O A61058 [1,1,0,0,0,0|1,0,1]=4 202 B7R0.5 COC[C@H](Br)C(=O)O B40233 [1,1,0,0,0,0|1,0,1]=4 203 B7R0.5 COC[C@H](N)C(=O)O A40354 [1,1,0,0,0,0|1,0,1]=4 204 B7R0.5 COC[C@H](N)C(=O)O A67760 [1,1,0,0,0,0|1,0,1]=4 205 B7R0.5 NCC[C@@H](N)C(=O)O D40355 [1,1,0,0,0,0|1,0,1]=4 206 B7R0.5 NCC[C@H](F)C(=O)O A63044 [1,1,0,0,0,0|1,0,1]=4 207 B7R0.5 NCC[C@H](N)C(=O)O D37858 [1,1,0,0,0,0|1,0,1]=4 208 B7R0.5 NCC[C@H](N)C(=O)O D68313 [1,1,0,0,0,0|1,0,1]=4 209 B7R0.5 NCC[C@H](O)C(=O)O A39157 [1,1,0,0,0,0|1,0,1]=4 210 B7R0.5 N[C@@H](CCBr)C(=O)O A37762 [1,1,0,0,0,0|1,0,1]=4 211 B7R0.5 N[C@@H](CCO)C(=O)O A68603 [1,1,0,0,0,0|1,0,1]=4 212 B7R0.5 N[C@@H](CCS)C(=O)O H68345 [1,1,0,0,0,0|1,0,1]=4 213 B7R0.5 N[C@H](CCO)C(=O)O A68363 [1,1,0,0,0,0|1,0,1]=4 214 B7R0.5 N[C@H](CCS)C(=O)O A66150 [1,1,0,0,0,0|1,0,1]=4 215 B7R0.6 CC(=O)\C=C\N(C)C D68911 [1,1,0,0,0,0|2,0,0]=4 216 B7R0.6 CN(C)CCC(=O)O D41335 [1,1,0,0,0,0|1,0,1]=4 217 B7R0.6 O=C(O)CCC(F)F D59737 [1,1,0,0,0,0|1,0,1]=4 218 B7R0.7 CCOC(=O)[CH-]C=O E29890 [1,1,0,0,0,0|1,0,1]=4 219 B7R0.7 CCOC(=O)\C=C\I E41181 [1,1,0,0,0,0|2,0,0]=4 220 B9R0.34 CCCC(=O)CC(=O)OC M39290 [0,2,0,0,0,0|0,0,1]=3 221 B9R0.53 CC(C)C[C@H](N)CC(=O)O A43926 [0,2,0,0,0,0|0,0,2]=4 222 B9R0.53 CC(C)C[C@H](N)CC(=O)O A43928 [0,2,0,0,0,0|0,0,2]=4 223 B9R0.58 CCC[C@](C)(O)CC(=O)O H69517 [0,2,0,0,0,0|0,0,2]=4 224 B9R0.1 COC(=O)\C=C\CN(C)C M43850 [0,2,0,0,0,0|1,0,0]=3 225 B9R0.5 CCC=CCC(=O)OCC E47083 [0,2,0,0,0,0|0,0,2]=4 226 B9R0.5 CCCC=CC(=O)OCC E47082 [0,2,0,0,0,0|0,0,0]=2 227 B9R0.5 CCOC=CC(=O)OCC E43814 [0,2,0,0,0,0|1,0,0]=3 228 B9R0.5 CCO\C=C\C(=O)OCC E43813 [0,2,0,0,0,0|1,0,0]=3 229 B9R0.8 CCCC[C@H](N)C(=O)OC M46518 [0,2,0,0,0,0|0,0,2]=4 230 B9R0.46 COC(=O)CCCCCBr M39296 [0,2,0,0,0,0|0,0,2]=4 231 B9R0.46 COC(=O)CCCCCN M67967 [0,2,0,0,0,0|0,0,2]=4 232 B9R0.47 CCCCC[C@@H](N)C(=O)O A43920 [0,2,0,0,0,0|0,0,2]=4 233 B9R0.47 CCCCC[C@H](N)C(=O)O A43919 [0,2,0,0,0,0|0,0,2]=4 234 B9R0.47 CCCCC[C@H](N)C(=O)O A43921 [0,2,0,0,0,0|0,0,2]=4 235 B9R0.47 NCCCC[C@@H](N)C(=O)O L64962 [0,2,0,0,0,0|0,0,2]=4 236 B9R0.2 NCCCCCCC(=O)O A46516 [0,2,0,0,0,0|0,0,2]=4 237 B9R0.2 NCCCCCCC(=O)O A67452 [0,2,0,0,0,0|0,0,2]=4 238 B9R0.2 O=C(O)CCCCCCBr B43862 [0,2,0,0,0,0|0,0,2]=4 239 B9R0.2 O=C(O)CCCCCCO H36659 [0,2,0,0,0,0|0,0,2]=4 240 B9R0.55 CC(=O)CCCCC(=O)O A43811 [0,2,0,0,0,0|0,0,2]=4 241 B9R0.7 CC(C)CC[C@@H](N)C(=O)O A43927 [0,2,0,0,0,0|0,0,2]=4 242 B7R1.2 CC1=CC=C(Br)O1 B41015 [1,0,0,1,0,0|1,0,1]=4 243 B7R1.2 CN1C=CC(=O)N1 M40182 [1,0,0,1,0,0|2,0,0]=4 244 B7R1.2 C[C@@H]1CNC(=O)C1 P22910 [1,0,0,1,0,0|2,0,0]=4 245 B7R1.2 C[C@@H]1COC(=O)N1 M32194 [1,0,0,1,0,0|2,0,0]=4 246 B7R1.2 C[C@H]1CCC(=O)N1 M61805 [1,0,0,1,0,0|1,0,1]=4 247 B7R1.2 C[C@H]1COC(=O)N1 M40226 [1,0,0,1,0,0|2,0,0]=4 248 B7R1.2 O=C1OC[C@H](F)O1 F39135 [1,0,0,1,0,0|2,0,0]=4 249 B7R1.3 O=C1C=CCCN1 D67780 [1,0,0,1,0,0|1,0,0]=3 250 B7R1.3 O=C1C=CCOC1 P26982 [1,0,0,1,0,0|2,0,0]=4 251 B7R1.3 O=C1CCCCN1 P69632 [1,0,0,1,0,0|1,0,1]=4 252 B7R1.3 O=C1COCCO1 D38663 [1,0,0,1,0,0|1,0,1]=4 253 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O M59914 [1,0,0,1,0,0|0,0,1]=3 254 B7R1.12 C[C@@H]1C[C@H]1C(=O)O M24588 [1,0,0,1,0,0|0,0,1]=3 255 B7R1.12 C[C@H]1C[C@H]1C(=O)O M24546 [1,0,0,1,0,0|0,0,1]=3 256 B7R1.12 C[C@H]1C[C@H]1C(=O)O M59857 [1,0,0,1,0,0|0,0,1]=3 257 B7R1.12 O=C(O)C1CC1F F20460 [1,0,0,1,0,0|1,0,1]=4 258 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F F8695 [1,0,0,1,0,0|1,0,1]=4 259 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I K67056 [1,0,0,1,0,0|1,0,1]=4 260 B7R1.12 O=C(O)[C@@H]1C[C@H]1F F18516 [1,0,0,1,0,0|1,0,1]=4 261 B7R1.12 O=C(O)[C@@H]1C[C@H]1F F21701 [1,0,0,1,0,0|1,0,1]=4 262 B7R1.12 O=C(O)[C@H]1C[C@@H]1F F21702 [1,0,0,1,0,0|1,0,1]=4 263 B7R1.14 O=S1(=O)C=CCC1 D1486 [1,0,0,1,0,0|1,0,1]=4 264 B7R1.18 CC(=O)C1CCC1 C22926 [1,0,0,1,0,0|1,0,1]=4 265 B7R1.18 NC(=O)C1CCC1 C36760 [1,0,0,1,0,0|1,0,1]=4 266 B7R1.18 O=C(O)C1CCC1 C39184 [1,0,0,1,0,0|0,0,1]=3 267 B7R1.18 O=C(O)C1CNC1 A0022 [1,0,0,1,0,0|1,0,1]=4 268 B7R1.18 O=C(O)C1CNC1 A62344 [1,0,0,1,0,0|1,0,1]=4 269 B7R1.18 O=C(O)[C@@H]1CCN1 A0692 [1,0,0,1,0,0|1,0,1]=4 270 B7R1.18 O=C(O)[C@@H]1CCN1 A0705 [1,0,0,1,0,0|1,0,1]=4 271 B7R1.18 O=C(O)[C@@H]1CCO1 X60210 [1,0,0,1,0,0|1,0,1]=4 272 B7R1.18 O=C(O)[C@@H]1CCO1 X6939 [1,0,0,1,0,0|1,0,1]=4 273 B7R1.18 O=C(O)[C@H]1CCN1 A0706 [1,0,0,1,0,0|1,0,1]=4 274 B7R1.18 O=C(O)[C@H]1CCN1 A40336 [1,0,0,1,0,0|1,0,1]=4 275 B7R1.18 O=C(O)[C@H]1CCO1 X60294 [1,0,0,1,0,0|1,0,1]=4 276 B7R1.20 O=C(O)CC1CC1 C11216 [1,0,0,1,0,0|0,0,1]=3 277 B7R1.1 BrCC1=CCCC1 B7551 [1,0,0,1,0,0|1,0,1]=4 278 B7R1.1 O=CC1=CCCC1 C69466 [1,0,0,1,0,0|0,0,0]=2 279 B7R1.1 O=CC1CCCC1 C25963 [1,0,0,1,0,0|0,0,2]=4 280 B7R1.4 CN1N=CC=C1O M23117 [1,0,0,1,0,0|2,0,0]=4 281 B7R1.4 CN1NC=CC1=O M40184 [1,0,0,1,0,0|2,0,0]=4 282 B7R1.4 C[C@H]1CCCC1=O M41458 [1,0,0,1,0,0|0,0,2]=4 283 B7R1.4 C[C@H]1CCNC1=O M41257 [1,0,0,1,0,0|1,0,1]=4 284 B7R1.4 C[C@H]1CCOC1=O M41224 [1,0,0,1,0,0|1,0,1]=4 285 B9R1.7 CC1=CC=C(CCO)O1 M43716 [0,1,0,1,0,0|1,0,1]=4 286 B9R1.7 CCCC1=CC(N)=NN1 P41489 [0,1,0,1,0,0|2,0,0]=4 287 B9R1.7 CCCC1=CC=C(Br)S1 B38199 [0,1,0,1,0,0|1,1,0]=4 288 B9R1.7 CCCC1=NOC(N)=C1 P41430 [0,1,0,1,0,0|1,0,0]=3 289 B9R1.7 CCC[C@H]1COC(=O)C1 P43806 [0,1,0,1,0,0|0,0,2]=4 290 B9R1.7 OCCC1=CC(Br)=NO1 B2471 [0,1,0,1,0,0|2,0,0]=4 291 B9R1.13 O=C(O)CC1CCCC1 C16642 [0,1,0,1,0,0|0,0,2]=4 292 B9R1.13 O=C(O)CN1CCCC1 P41503 [0,1,0,1,0,0|0,0,2]=4 293 B9R1.13 O=C(O)CN1CCCC1 P43441 [0,1,0,1,0,0|0,0,2]=4 294 B9R1.13 O=C(O)C[C@@H]1CCCN1 H14057 [0,1,0,1,0,0|0,0,2]=4 295 B9R1.13 O=C(O)C[C@@H]1CCCN1 P41505 [0,1,0,1,0,0|0,0,2]=4 296 B9R1.13 O=C(O)C[C@@H]1CCNC1 P14180 [0,1,0,1,0,0|0,0,2]=4 297 B9R1.13 O=C(O)C[C@H]1CCCN1 H14056 [0,1,0,1,0,0|0,0,2]=4 298 B9R1.13 O=C(O)C[C@H]1CCCN1 P43445 [0,1,0,1,0,0|0,0,2]=4 299 B9R1.13 O=C(O)C[C@H]1CCCN1 P69047 [0,1,0,1,0,0|0,0,2]=4 300 B9R1.13 O=C(O)C[C@H]1CCNC1 P10341 [0,1,0,1,0,0|0,0,2]=4 301 B9R1.13 O=C(O)C[C@H]1CCNC1 P14181 [0,1,0,1,0,0|0,0,2]=4 302 B9R1.13 O=C(O)C[C@H]1CCNC1 P43442 [0,1,0,1,0,0|0,0,2]=4 303 B9R1.13 O=C(O)C[C@H]1CCOC1 X19979 [0,1,0,1,0,0|0,0,2]=4 304 B9R1.34 CC1CC(=O)CC(=O)C1 M43717 [0,1,0,1,0,0|1,0,1]=4 305 B9R1.41 CC1=C(C(=O)O)C=CN1 M39104 [0,1,0,1,0,0|0,0,2]=4 306 B9R1.41 CC1=C(C(=O)O)C=CO1 M63194 [0,1,0,1,0,0|0,0,2]=4 307 B9R1.41 CC1=C(C(=O)O)C=CS1 M36640 [0,1,0,1,0,0|0,0,2]=4 308 B9R1.41 CC1=C(C(=O)O)C=NO1 M2622 [0,1,0,1,0,0|1,0,1]=4 309 B9R1.41 CC1=C(C(=O)O)N=CO1 M3158 [0,1,0,1,0,0|1,0,1]=4 310 B9R1.41 CC1=C(C(=O)O)N=CS1 M3491 [0,1,0,1,0,0|1,0,1]=4 311 B9R1.41 CC1=C(C(=O)O)NC=C1 M43146 [0,1,0,1,0,0|0,0,2]=4 312 B9R1.41 CC1=C(C(=O)O)OC=C1 M42945 [0,1,0,1,0,0|0,0,2]=4 313 B9R1.41 CC1=C(C(=O)O)OC=N1 M38000 [0,1,0,1,0,0|1,0,1]=4 314 B9R1.41 CC1=C(C(=O)O)SC=C1 M42942 [0,1,0,1,0,0|0,0,2]=4 315 B9R1.41 CC1=C(C(=O)O)SC=N1 M67956 [0,1,0,1,0,0|1,0,1]=4 316 B9R1.41 CC1=CSC=C1C(=O)O M25374 [0,1,0,1,0,0|0,0,2]=4 317 B9R1.41 CC1=NNC=C1C(=O)O M9647 [0,1,0,1,0,0|1,0,1]=4 318 B9R1.41 CC1=NOC=C1C(=O)O M21771 [0,1,0,1,0,0|1,0,1]=4 319 B9R1.41 CN1C=CC=C1C(=O)O M68591 [0,1,0,1,0,0|0,0,2]=4 320 B9R1.41 CN1C=CN=C1C(=O)O M12222 [0,1,0,1,0,0|1,0,1]=4 321 B9R1.41 CN1C=NC=C1C(=O)O M2857 [0,1,0,1,0,0|1,0,1]=4 322 B9R1.41 CN1CCC[C@@H]1C(=O)O M24378 [0,1,0,1,0,0|0,0,2]=4 323 B9R1.41 CN1CCC[C@@H]1C(=O)O M29559 [0,1,0,1,0,0|0,0,2]=4 324 B9R1.41 CN1CCC[C@@H]1C(=O)O M43438 [0,1,0,1,0,0|0,0,2]=4 325 B9R1.41 CN1CCC[C@H]1C(=O)O M22169 [0,1,0,1,0,0|0,0,2]=4 326 B9R1.41 CN1CCC[C@H]1C(=O)O M24873 [0,1,0,1,0,0|0,0,2]=4 327 B9R1.41 CN1CCC[C@H]1C(=O)O M43447 [0,1,0,1,0,0|0,0,2]=4 328 B9R1.41 CN1N=CC=C1C(=O)O M3734 [0,1,0,1,0,0|1,0,1]=4 329 B9R1.41 CN1N=NC=C1C(=O)O M40142 [0,1,0,1,0,0|2,0,0]=4 330 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O A23278 [0,1,0,1,0,0|0,0,2]=4 331 B9R1.41 O=C(O)[C@@H]1CCNC1=O X15532 [0,1,0,1,0,0|1,0,1]=4 332 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O H13252 [0,1,0,1,0,0|1,0,1]=4 333 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O H23787 [0,1,0,1,0,0|1,0,1]=4 334 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O H27028 [0,1,0,1,0,0|1,0,1]=4 335 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O H27029 [0,1,0,1,0,0|1,0,1]=4 336 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O H13665 [0,1,0,1,0,0|1,0,1]=4 337 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O H27030 [0,1,0,1,0,0|1,0,1]=4 338 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O H14383 [0,1,0,1,0,0|1,0,1]=4 339 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O H27031 [0,1,0,1,0,0|1,0,1]=4 340 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O H13249 [0,1,0,1,0,0|1,0,1]=4 341 B9R1.48 O=C1CCCCC(=O)C1 C37584 [0,1,0,1,0,0|1,0,1]=4 342 B9R1.48 O=C1CCCNC(=O)C1 A43379 [0,1,0,1,0,0|1,0,1]=4 343 B9R1.52 CC1CN(C)[C@@H]1C(=O)O A30111 [0,1,0,1,0,0|1,0,1]=4 344 B9R1.53 NC1CC(CC(=O)O)C1 A11674 [0,1,0,1,0,0|0,0,2]=4 345 B9R1.53 N[C@H]1C[C@@H](CC(=O)O)C1 A11675 [0,1,0,1,0,0|0,0,2]=4 346 B9R1.53 N[C@H]1C[C@@H](CC(=O)O)C1 A14838 [0,1,0,1,0,0|0,0,2]=4 347 B9R1.53 N[C@H]1C[C@H](CC(=O)O)C1 A11676 [0,1,0,1,0,0|0,0,2]=4 348 B9R1.137 CC(=O)CC(=O)C1CC1 C6252 [0,1,0,1,0,0|1,0,1]=4 349 B9R1.11 COC(=O)C1=CCCC1 M43720 [0,1,0,1,0,0|0,0,0]=2 350 B9R1.11 COC(=O)C1CCCC1 M43805 [0,1,0,1,0,0|0,0,2]=4 351 B9R1.11 COC(=O)[C@@H]1CCCN1 M38491 [0,1,0,1,0,0|1,0,1]=4 352 B9R1.79 COC(=O)C=C1COC1 M5786 [0,1,0,1,0,0|1,0,0]=3 353 B9R1.6 O=C(O)C1=CCCCO1 D43311 [0,1,0,1,0,0|0,0,0]=2 354 B9R1.6 O=C(O)C1=COCCC1 D23573 [0,1,0,1,0,0|0,0,0]=2 355 B9R1.6 O=C(O)C1CCCCC1 C64950 [0,1,0,1,0,0|0,0,2]=4 356 B9R1.6 O=C(O)C1CCNCC1 P23933 [0,1,0,1,0,0|0,0,2]=4 357 B9R1.6 O=C(O)C1CCNCC1 P24453 [0,1,0,1,0,0|0,0,2]=4 358 B9R1.6 O=C(O)C1CCOCC1 T0117 [0,1,0,1,0,0|0,0,2]=4 359 B9R1.6 O=C(O)C1CCSCC1 T13091 [0,1,0,1,0,0|0,0,2]=4 360 B9R1.6 O=C(O)N1CCCCC1 P62582 [0,1,0,1,0,0|0,0,2]=4 361 B9R1.6 O=C(O)[C@@H]1CC=CCC1 C11079 [0,1,0,1,0,0|0,0,2]=4 362 B9R1.6 O=C(O)[C@@H]1CC=CCC1 C68354 [0,1,0,1,0,0|0,0,2]=4 363 B9R1.6 O=C(O)[C@@H]1CCCCN1 P43440 [0,1,0,1,0,0|0,0,2]=4 364 B9R1.6 O=C(O)[C@@H]1CCCCN1 P43443 [0,1,0,1,0,0|0,0,2]=4 365 B9R1.6 O=C(O)[C@@H]1CCCCO1 T31331 [0,1,0,1,0,0|0,0,2]=4 366 B9R1.6 O=C(O)[C@@H]1CCCNC1 P12310 [0,1,0,1,0,0|0,0,2]=4 367 B9R1.6 O=C(O)[C@@H]1CNCCN1 P10721 [0,1,0,1,0,0|1,0,1]=4 368 B9R1.6 O=C(O)[C@@H]1CNCCN1 P11877 [0,1,0,1,0,0|1,0,1]=4 369 B9R1.6 O=C(O)[C@@H]1CNCCN1 P13373 [0,1,0,1,0,0|1,0,1]=4 370 B9R1.6 O=C(O)[C@@H]1CNCCN1 P41382 [0,1,0,1,0,0|1,0,1]=4 371 B9R1.6 O=C(O)[C@@H]1CNCCO1 M41374 [0,1,0,1,0,0|1,0,1]=4 372 B9R1.6 O=C(O)[C@@H]1CNCCO1 M61070 [0,1,0,1,0,0|1,0,1]=4 373 B9R1.6 O=C(O)[C@@H]1COCCN1 M15337 [0,1,0,1,0,0|1,0,1]=4 374 B9R1.6 O=C(O)[C@@H]1COCCN1 M17082 [0,1,0,1,0,0|1,0,1]=4 375 B9R1.6 O=C(O)[C@@H]1COCCN1 M31616 [0,1,0,1,0,0|1,0,1]=4 376 B9R1.6 O=C(O)[C@@H]1COCCO1 D41234 [0,1,0,1,0,0|1,0,1]=4 377 B9R1.6 O=C(O)[C@H]1CC=CCC1 C11080 [0,1,0,1,0,0|0,0,2]=4 378 B9R1.6 O=C(O)[C@H]1CCCCN1 P28251 [0,1,0,1,0,0|0,0,2]=4 379 B9R1.6 O=C(O)[C@H]1CCCNC1 P12311 [0,1,0,1,0,0|0,0,2]=4 380 B9R1.6 O=C(O)[C@H]1CCCNC1 P43444 [0,1,0,1,0,0|0,0,2]=4 381 B9R1.6 O=C(O)[C@H]1CCCOC1 T0697 [0,1,0,1,0,0|0,0,2]=4 382 B9R1.6 O=C(O)[C@H]1CCCSC1 T1163 [0,1,0,1,0,0|0,0,2]=4 383 B9R1.6 O=C(O)[C@H]1CNCCN1 P10722 [0,1,0,1,0,0|1,0,1]=4 384 B9R1.6 O=C(O)[C@H]1CNCCN1 P11878 [0,1,0,1,0,0|1,0,1]=4 385 B9R1.6 O=C(O)[C@H]1CNCCO1 M18388 [0,1,0,1,0,0|1,0,1]=4 386 B9R1.6 O=C(O)[C@H]1CNCCO1 M63934 [0,1,0,1,0,0|1,0,1]=4 387 B9R1.6 O=C(O)[C@H]1COCCN1 M15338 [0,1,0,1,0,0|1,0,1]=4 388 B9R1.6 O=C(O)[C@H]1COCCN1 M41376 [0,1,0,1,0,0|1,0,1]=4 389 B9R1.6 O=C(O)[C@H]1COCCO1 D41233 [0,1,0,1,0,0|1,0,1]=4 390 B9R1.6 OB(O)C1=CCCCC1 C31070 [0,1,0,1,0,0|1,0,1]=4 391 B9R1.96 CCC1CN[C@@H]1C(=O)O A30119 [0,1,0,1,0,0|0,0,2]=4 392 B9R1.96 CCN1CC[C@H]1C(=O)O E29784 [0,1,0,1,0,0|0,0,2]=4 393 B9R1.35 CC1=CC(C(=O)O)=CN1 M43147 [0,1,0,1,0,0|1,0,1]=4 394 B9R1.35 CC1=CC(C(=O)O)=CS1 M5852 [0,1,0,1,0,0|1,0,1]=4 395 B9R1.35 CC1=CC=C(C(=O)O)N1 M36732 [0,1,0,1,0,0|0,0,2]=4 396 B9R1.35 CC1=CC=C(C(=O)O)O1 M38051 [0,1,0,1,0,0|0,0,2]=4 397 B9R1.35 CC1=CC=C(C(=O)O)S1 M42943 [0,1,0,1,0,0|0,0,2]=4 398 B9R1.35 CC1=NC(C(=O)O)=CN1 M19958 [0,1,0,1,0,0|1,0,1]=4 399 B9R1.35 CC1=NC(C(=O)O)=CO1 M62066 [0,1,0,1,0,0|1,0,1]=4 400 B9R1.35 CC1=NC(C(=O)O)=CO1 M7132 [0,1,0,1,0,0|1,0,1]=4 401 B9R1.35 CC1=NC(C(=O)O)=CS1 M3047 [0,1,0,1,0,0|1,0,1]=4 402 B9R1.35 CC1=NC=C(C(=O)O)O1 M9856 [0,1,0,1,0,0|1,0,1]=4 403 B9R1.35 CC1=NC=C(C(=O)O)S1 M5426 [0,1,0,1,0,0|1,0,1]=4 404 B9R1.35 CN1C=C(C(=O)O)C=N1 M7676 [0,1,0,1,0,0|2,0,0]=4 405 B9R1.35 CN1C=CC(C(=O)O)=C1 M43143 [0,1,0,1,0,0|1,0,1]=4 406 B9R1.35 CN1C=CC(C(=O)O)=N1 M9460 [0,1,0,1,0,0|1,0,1]=4 407 B9R1.35 C[C@@H]1CC[C@@H](C(=O)O)N1 M60259 [0,1,0,1,0,0|0,0,2]=4 408 B9R1.35 C[C@H]1CC[C@H](C(=O)O)N1 M60278 [0,1,0,1,0,0|0,0,2]=4 409 B9R1.35 NC1CCC(C(=O)O)C1 A11845 [0,1,0,1,0,0|0,0,2]=4 410 B9R1.35 NC1CCC(C(=O)O)C1 A15670 [0,1,0,1,0,0|0,0,2]=4 411 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 A15249 [0,1,0,1,0,0|0,0,2]=4 412 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 A20649 [0,1,0,1,0,0|0,0,2]=4 413 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 A15248 [0,1,0,1,0,0|0,0,2]=4 414 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 A43449 [0,1,0,1,0,0|0,0,2]=4 415 B9R1.35 N[C@@H]1CN[C@@H](C(=O)O)C1 A41383 [0,1,0,1,0,0|1,0,1]=4 416 B9R1.35 N[C@@H]1CN[C@H](C(=O)O)C1 A41384 [0,1,0,1,0,0|1,0,1]=4 417 B9R1.35 N[C@H]1C=C[C@@H](C(=O)O)C1 A43384 [0,1,0,1,0,0|0,0,2]=4 418 B9R1.35 N[C@H]1C=C[C@@H](C(=O)O)C1 A43553 [0,1,0,1,0,0|0,0,2]=4 419 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 A25040 [0,1,0,1,0,0|0,0,2]=4 420 B9R1.35 N[C@H]1CC[C@H](C(=O)O)C1 A43450 [0,1,0,1,0,0|0,0,2]=4 421 B9R1.35 N[C@H]1CN[C@H](C(=O)O)C1 A60941 [0,1,0,1,0,0|1,0,1]=4 422 B9R1.35 O=C(O)C1CCC(O)C1 H41473 [0,1,0,1,0,0|0,0,2]=4 423 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 F24489 [0,1,0,1,0,0|1,0,1]=4 424 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 F4406 [0,1,0,1,0,0|1,0,1]=4 425 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 H24020 [0,1,0,1,0,0|1,0,1]=4 426 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 H41377 [0,1,0,1,0,0|1,0,1]=4 427 B9R1.35 O=C(O)[C@@H]1C[C@@H](S)CN1 S60350 [0,1,0,1,0,0|1,0,1]=4 428 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 F13520 [0,1,0,1,0,0|1,0,1]=4 429 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 F13680 [0,1,0,1,0,0|1,0,1]=4 430 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 H41378 [0,1,0,1,0,0|1,0,1]=4 431 B9R1.35 O=C(O)[C@@H]1C[C@H](S)CN1 M15630 [0,1,0,1,0,0|1,0,1]=4 432 B9R1.35 O=C(O)[C@H]1C[C@@H](F)CN1 F13522 [0,1,0,1,0,0|1,0,1]=4 433 B9R1.35 O=C(O)[C@H]1C[C@@H](F)CN1 F20223 [0,1,0,1,0,0|1,0,1]=4 434 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 H15420 [0,1,0,1,0,0|1,0,1]=4 435 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 H29938 [0,1,0,1,0,0|1,0,1]=4 436 B9R1.35 O=C(O)[C@H]1C[C@H](F)CN1 F13521 [0,1,0,1,0,0|1,0,1]=4 437 B9R1.35 O=C(O)[C@H]1C[C@H](F)CN1 F4408 [0,1,0,1,0,0|1,0,1]=4 438 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 H41373 [0,1,0,1,0,0|1,0,1]=4 439 B9R1.110 N[C@@H](C(=O)O)C1CCC1 A12996 [0,1,0,1,0,0|0,0,2]=4 440 B9R1.110 N[C@H](C(=O)O)C1CCC1 A10555 [0,1,0,1,0,0|0,0,2]=4 441 B9R1.110 N[C@H](C(=O)O)C1CCC1 A12995 [0,1,0,1,0,0|0,0,2]=4 442 B9R1.112 N[C@@H](CC1CC1)C(=O)O A41508 [0,1,0,1,0,0|0,0,2]=4 443 B9R1.112 N[C@H](CC1CC1)C(=O)O C68587 [0,1,0,1,0,0|0,0,2]=4 444 B9R1.163 C[C@@]1(C(=O)O)CCCN1 M20146 [0,1,0,1,0,0|1,0,1]=4 445 B9R1.163 C[C@]1(C(=O)O)CCCN1 M17794 [0,1,0,1,0,0|1,0,1]=4 446 B9R1.163 C[C@]1(C(=O)O)CCCN1 M7933 [0,1,0,1,0,0|1,0,1]=4 447 B9R1.163 O=C(O)C1(F)CCCC1 F38406 [0,1,0,1,0,0|0,0,2]=4 448 B9R1.163 O=C(O)C1(O)CCCC1 H41472 [0,1,0,1,0,0|0,0,2]=4 449 B9R1.166 CC1(C)CN[C@@H]1C(=O)O A30117 [0,1,0,1,0,0|1,0,1]=4 450 B9R2.39 O=C1OC2CCC1C2 X31814 [0,0,0,2,0,0|0,0,2]=4 451 B9R2.39 O=C1O[C@@H]2CN[C@H]1C2 X43582 [0,0,0,2,0,0|1,0,1]=4 452 B9R2.143 O=C(O)[C@H]1CC12CC2 S21785 [0,0,0,2,0,0|0,0,2]=4