0 B8R0.9 CC(=O)NNC(=O)CCl A12492 [0,0,0,0,0,0|4,0,0]=4 1 B8R0.9 CCC(C)=CCC(=O)O C75612 [0,0,0,0,0,0|3,0,1]=4 2 B8R0.9 CC[C@H](Cl)CCC(=O)Cl AC1939 [0,0,0,0,0,0|3,0,1]=4 3 B8R0.9 CN(C)CCC(=O)NN AC8035 [0,0,0,0,0,0|4,0,0]=4 4 B8R0.9 O=C(O)CCC(=O)CBr P19462 [0,0,0,0,0,0|3,0,0]=3 5 B8R0.9 O=C(O)CCC(=O)NO D83843 [0,0,0,0,0,0|3,0,0]=3 6 B7R0.3 C#CCCC(=O)OC AT21755 [1,0,0,0,0,0|0,0,2]=3 7 B7R0.3 C=CCCC(=O)OC AT23749 [1,0,0,0,0,0|0,0,1]=2 8 B7R0.3 CNCCC(=O)OC AB11809 [1,0,0,0,0,0|1,0,0]=2 9 B7R0.3 COC(=O)CCCI F19766 [1,0,0,0,0,0|1,0,1]=3 10 B7R0.4 CC(=O)CCCCBr O11558 [1,0,0,0,0,0|2,0,1]=4 11 B7R0.4 CCNCCC(N)=O AT24732 [1,0,0,0,0,0|3,0,0]=4 12 B7R0.4 CNCCCC(N)=O 21232 [1,0,0,0,0,0|2,0,1]=4 13 B7R0.4 COCCCC(=O)O 78063 [1,0,0,0,0,0|1,0,1]=3 14 B7R0.6 CC(=O)ON=C(C)C F19954 [1,0,0,0,0,0|3,0,0]=4 15 B7R0.6 CC(C)=CCC(=O)O 24307 [1,0,0,0,0,0|1,0,1]=3 16 B7R0.6 C[C@H](Cl)CCC(=O)Cl W17602 [1,0,0,0,0,0|2,0,1]=4 17 B7R0.6 C[C@H](O)CCC(=O)[O-] AC8853 [1,0,0,0,0,0|0,0,3]=4 18 B7R0.6 C[S+](C)CCC(=O)O T70554 [1,0,0,0,0,0|2,0,0]=3 19 B7R0.6 O=C(O)CCC(=O)O D85169 [1,0,0,0,0,0|1,0,0]=2 20 B9R0.7 C=C(C)C(=O)NCC(=O)O A12316 [0,1,0,0,0,0|3,0,0]=4 21 B9R0.7 CC(C)C(=O)NCC(=O)O F20066 [0,1,0,0,0,0|3,0,0]=4 22 B9R0.7 C[C@H](Cl)C(=O)NCC(=O)O AC6938 [0,1,0,0,0,0|3,0,0]=4 23 B9R0.7 C[C@H](N)C(=O)NCC(=O)O A12756 [0,1,0,0,0,0|3,0,0]=4 24 B9R0.7 C[C@H](S)C(=O)NCC(=O)O C73708 [0,1,0,0,0,0|3,0,0]=4 25 B9R0.23 C=C(CC(C)C)C(=O)OC W19515 [0,1,0,0,0,0|1,0,2]=4 26 B9R0.23 COC(=O)C(=O)CC(C)C 29859 [0,1,0,0,0,0|1,0,2]=4 27 B9R0.23 COC(=O)[C@@H](O)CC(C)C C13521 [0,1,0,0,0,0|1,0,1]=3 28 B9R0.24 CCC(=O)CCC(=O)CC Y14693 [0,1,0,0,0,0|1,0,0]=2 29 B9R0.24 COC(=O)CCC(=O)CBr D72688 [0,1,0,0,0,0|0,0,0]=1 30 B9R0.42 COC(=O)CC(=O)C(=O)O 78060 [0,1,0,0,0,0|1,0,1]=3 31 B9R0.42 COC(=O)C[C@H](C)C(=O)O C76592 [0,1,0,0,0,0|1,0,0]=2 32 B9R0.48 C=C(C)CCC(=O)OCC A11234 [0,1,0,0,0,0|1,0,0]=2 33 B9R0.48 CCOC(=O)CC[C@H](C)Br C77584 [0,1,0,0,0,0|1,0,1]=3 34 B9R0.48 CCOC(=O)CC[N+](=O)[O-] F11926 [0,1,0,0,0,0|2,0,0]=3 35 B9R0.48 CCOC(=O)NCC(=O)O D76651 [0,1,0,0,0,0|2,0,0]=3 36 B9R0.48 CCOC(=O)OCC(C)C A12452 [0,1,0,0,0,0|2,0,1]=4 37 B9R0.48 CCOC(=O)\C=C\C(C)=O 71109 [0,1,0,0,0,0|0,0,2]=3 38 B9R1.1 CON1CCC(=O)CC1 92073 [0,0,0,1,0,0|2,0,0]=3 39 B9R1.10 CC1(O)CCC(=O)CC1 F13738 [0,0,0,1,0,0|1,0,2]=4 40 B9R1.35 NC(=O)[C@@H]1CCC(=O)N1 64802 [0,0,0,1,0,0|3,0,0]=4 41 B9R1.35 O=C1CC[C@@H](C(=O)[O-])N1 F10334 [0,0,0,1,0,0|3,0,0]=4 42 B9R1.35 O=C1CN[C@H](C(=O)O)C1 P15402 [0,0,0,1,0,0|3,0,0]=4 43 B9R1.35 O=C1C[C@H](C(=O)O)CN1 P11664 [0,0,0,1,0,0|2,0,0]=3 44 B9R1.35 O=C1NC[C@@H](C(=O)O)N1 W16754 [0,0,0,1,0,0|3,0,0]=4 45 B9R1.35 O=C1N[C@H](C(=O)O)CO1 AT13924 [0,0,0,1,0,0|2,0,0]=3 46 B9R1.49 CN1CCNC(=O)CC1 Y10078 [0,0,0,1,0,0|3,0,0]=4 47 B9R1.67 CC(=O)O[C@H]1CCC1=O P20079 [0,0,0,1,0,0|2,0,0]=3 48 B9R1.69 CC1CC(=O)CCC1O Y10041 [0,0,0,1,0,0|1,0,2]=4 49 B9R1.69 CN1CC(=O)NCC1=O P12381 [0,0,0,1,0,0|2,0,0]=3 50 B9R1.69 CN1C[C@@H](N)CCC1=O 32330 [0,0,0,1,0,0|2,0,1]=4 51 B9R1.69 CN1C[C@@H](N)CCC1=O 37583 [0,0,0,1,0,0|2,0,1]=4 52 B9R1.82 COC(=O)C1CC(Br)C1 38009 [0,0,0,1,0,0|1,0,1]=3 53 B9R1.82 COC(=O)C1CC(C)C1 84766 [0,0,0,1,0,0|1,0,1]=3 54 B9R1.82 COC(=O)C1CC(F)C1 P19700 [0,0,0,1,0,0|1,0,1]=3 55 B9R1.82 COC(=O)C1CC(N)C1 FD7142 [0,0,0,1,0,0|1,0,1]=3 56 B9R1.82 COC(=O)[C@H]1C[C@H](O)C1 38534 [0,0,0,1,0,0|0,0,2]=3 57 B9R1.95 COC1CC(C(=O)O)C1 P10644 [0,0,0,1,0,0|2,0,1]=4 58 B9R1.95 CO[C@H]1C[C@@H](C(=O)O)C1 38899 [0,0,0,1,0,0|2,0,1]=4 59 B9R1.95 CO[C@H]1C[C@H](C(=O)O)C1 38900 [0,0,0,1,0,0|2,0,1]=4 60 B7R0.2 CC[C@H](C)CC(C)=O A11862 [0,0,0,0,1,0|2,0,1]=4 61 B7R0.2 COC(=O)CC(=N)N AC2408 [0,0,0,0,1,0|2,0,0]=3 62 B7R0.2 COC(=O)C[C@H](C)N FD10418 [0,0,0,0,1,0|1,0,1]=3 63 B7R0.2 COC(=O)C[C@H](C)N S11691 [0,0,0,0,1,0|1,0,1]=3 64 B7R0.2 CO\C(C)=C/C(C)=O D93418 [0,0,0,0,1,0|1,0,1]=3 65 B9R0.1 COC(=O)\C=C\CN(C)C D70009 [0,0,0,0,0,1|2,0,1]=4 66 B9R0.1 O=C(O)CCNC(=O)CCl W18663 [0,0,0,0,0,1|3,0,0]=4 67 B6R0.1 C=C=CC(=O)OC F20885 [2,0,0,0,0,0|0,0,2]=4 68 B6R0.1 CNC(=O)CCN C75423 [2,0,0,0,0,0|2,0,0]=4 69 B6R0.1 CNC(=O)CCO AC6610 [2,0,0,0,0,0|1,0,1]=4 70 B6R0.1 CNC(=O)CCS A11187 [2,0,0,0,0,0|1,1,0]=4 71 B6R0.1 COC(=O)OCCl R10013 [2,0,0,0,0,0|2,0,0]=4 72 B6R0.1 COC(=O)\C=C\I C10406 [2,0,0,0,0,0|1,0,1]=4 73 B6R0.4 C=CCCC(=O)Cl F16765 [2,0,0,0,0,0|1,0,1]=4 74 B6R0.4 CC(=O)CCC=O P17049 [2,0,0,0,0,0|0,0,0]=2 75 B6R0.4 CC(=O)CCCBr 25631 [2,0,0,0,0,0|1,0,1]=4 76 B6R0.4 CC(C)CCC=O 31143 [2,0,0,0,0,0|1,0,1]=4 77 B6R0.4 CCOCC(=O)O D73862 [2,0,0,0,0,0|1,0,1]=4 78 B6R0.4 COC=CC(=O)O D97266 [2,0,0,0,0,0|1,0,1]=4 79 B8R0.1 CCOC(=O)CCC#N 82565 [1,1,0,0,0,0|1,0,1]=4 80 B8R0.1 CCOC(=O)CCC=O AB9300 [1,1,0,0,0,0|0,0,0]=2 81 B8R0.1 CCOC(=O)CCCO C91677 [1,1,0,0,0,0|0,0,2]=4 82 B8R0.3 C=CC[C@H](N)C(=O)OC 50494 [1,1,0,0,0,0|0,0,1]=3 83 B8R0.3 C=CC[C@H](N)C(=O)OC 78270 [1,1,0,0,0,0|0,0,1]=3 84 B8R0.3 CCCC(=O)C(=O)OC T72754 [1,1,0,0,0,0|0,0,2]=4 85 B8R0.3 COC(=O)[C@@H](N)CCBr 52036 [1,1,0,0,0,0|1,0,1]=4 86 B8R0.3 COC(=O)[C@H](C)N=C=O T72257 [1,1,0,0,0,0|1,0,1]=4 87 B8R0.3 COC[C@H](N)C(=O)OC C73433 [1,1,0,0,0,0|1,0,0]=3 88 B8R0.6 COC(=O)COCCO D84694 [1,1,0,0,0,0|0,0,2]=4 89 B8R0.6 COC\C=C\C(=O)OC P17071 [1,1,0,0,0,0|1,0,1]=4 90 B8R0.8 CCCCC(=O)[C@H](C)N C72970 [1,1,0,0,0,0|1,0,1]=4 91 B8R0.19 CC[C@H](N)CC(=O)OC N12944 [1,1,0,0,0,0|0,0,1]=3 92 B8R0.19 CC[C@H](O)CC(=O)OC C15791 [1,1,0,0,0,0|0,0,1]=3 93 B8R0.19 COC(=O)C[C@H](O)CCl A11858 [1,1,0,0,0,0|1,0,1]=4 94 B8R0.5 CCC[C@H](C)CC(C)=O D93522 [1,1,0,0,0,0|1,0,1]=4 95 B8R0.7 COCCNCC(=O)O W16095 [1,1,0,0,0,0|1,0,1]=4 96 B8R0.28 CC(C)=CCCC(=O)O F16793 [1,1,0,0,0,0|2,0,0]=4 97 B8R0.23 C=C(C)C[C@H](N)C(=O)O FD21883 [1,1,0,0,0,0|1,0,0]=3 98 B8R0.23 CC(=O)O[C@@H](C)C(=O)O T70471 [1,1,0,0,0,0|1,0,0]=3 99 B8R0.23 CC(=O)O[C@@H](C)C(C)=O H10680 [1,1,0,0,0,0|1,0,0]=3 100 B8R0.23 CC(C)C[C@H]([15NH2])C(=O)O 41453 [1,1,0,0,0,0|1,0,1]=4 101 B8R0.23 CC(C)[C@@H](N)CC(=O)O 29560 [1,1,0,0,0,0|1,0,1]=4 102 B8R0.23 CC(C)[C@@H](N)CC(=O)O 62353 [1,1,0,0,0,0|1,0,1]=4 103 B8R0.23 CN(C)C[C@H](N)C(=O)O F19964 [1,1,0,0,0,0|2,0,0]=4 104 B8R0.23 NC(=O)[C@@H](N)CC(=O)O FD21181 [1,1,0,0,0,0|1,0,0]=3 105 B8R0.23 O=C([O-])C[C@H](O)C(=O)[O-] A11573 [1,1,0,0,0,0|1,0,1]=4 106 B8R0.29 CC(C)(S)CCC(=O)O P19032 [1,1,0,0,0,0|0,1,1]=4 107 B8R0.2 COC(=O)[C@@H](C)C(=O)O C74590 [0,1,0,0,1,0|1,0,0]=3 108 B8R0.2 COC(=O)[C@@H](N)C(C)=O C75090 [0,1,0,0,1,0|0,0,0]=2 109 B8R0.2 COC(=O)[C@@H](O)C(C)C N12468 [0,1,0,0,1,0|1,0,1]=4 110 B8R0.24 CNC(=O)CS(C)(=O)=O 31518 [0,1,0,0,1,0|2,0,0]=4 111 B8R0.24 COC(=O)CC(C)(C)Br A11663 [0,1,0,0,1,0|1,0,1]=4 112 B8R0.24 COC(=O)CC(C)(C)O C75882 [0,1,0,0,1,0|0,0,2]=4 113 B8R0.24 COC(=O)CS(N)(=O)=O W19134 [0,1,0,0,1,0|2,0,0]=4 114 B10R0.3 C=C(C)CCCC(=O)OCC C75004 [0,1,0,0,0,1|1,0,0]=3 115 B10R0.3 CCOC(=O)CCC[N+](=O)[O-] Y14690 [0,1,0,0,0,1|2,0,0]=4 116 B10R0.44 COC(=O)CC(=O)CC(C)=O C74527 [0,1,0,0,0,1|0,0,0]=2 117 B10R0.57 C=C(COC(C)=O)C(=O)OC C74591 [0,1,0,0,0,1|0,0,1]=3 118 B10R0.57 COC(=O)[C@@H](N)CCC(N)=O 68604 [0,1,0,0,0,1|1,0,0]=3 119 B10R0.59 COC(=O)COCC(=O)OC C16251 [0,1,0,0,0,1|0,0,0]=2 120 B10R0.82 COC(=O)CC[C@H](N)C(N)=O W12035 [0,1,0,0,0,1|1,0,0]=3 121 B10R0.52 COC(=O)C[C@H](N)C(C)(C)C 75020 [0,2,0,0,0,0|1,0,1]=4 122 B10R0.52 COC(=O)C[C@H](N)C(C)(C)C 75021 [0,2,0,0,0,0|1,0,1]=4 123 B10R0.46 COC(=O)[C@H](C)NC(=O)CCl AB7488 [0,2,0,0,0,0|1,0,0]=3 124 B10R0.46 COC(=O)[C@H](C)NC(=O)CCl AB7489 [0,2,0,0,0,0|1,0,0]=3 125 B10R0.54 COC(=O)[C@H](CS)NC(C)=O A12833 [0,2,0,0,0,0|1,0,0]=3 126 B10R0.56 COC(=O)N(C)[C@@H](C)C(=O)O P15804 [0,2,0,0,0,0|2,0,0]=4 127 B10R0.45 COC(=O)CCC(OC)OC W12514 [0,2,0,0,0,0|0,0,2]=4 128 B10R0.108 CCOC(=O)CCC(=O)CBr 79134 [0,2,0,0,0,0|0,0,0]=2 129 B10R0.108 CCOC(=O)CNC(=O)OC 74367 [0,2,0,0,0,0|1,0,0]=3 130 B10R0.108 CCOC(=O)NCC(=O)OC AB7223 [0,2,0,0,0,0|1,0,0]=3 131 B10R0.47 COC(=O)CC(C)(C)C(=O)O C15952 [0,2,0,0,0,0|1,0,0]=3 132 B10R0.78 CCCNC(=O)CCC(=O)O W18569 [0,2,0,0,0,0|2,0,0]=4 133 B8R1.1 C=C[C@@H]1COC(=O)C1 88423 [1,0,0,1,0,0|0,0,1]=3 134 B8R1.1 COC1=CC(=O)CC1 63697 [1,0,0,1,0,0|1,0,0]=3 135 B8R1.2 COC1=NCCCC1 D87703 [1,0,0,1,0,0|1,0,1]=4 136 B8R1.3 C[C@H]1CCC(=O)NC1 P11593 [1,0,0,1,0,0|1,0,1]=4 137 B8R1.3 O=C1CCC(=O)OC1 P20160 [1,0,0,1,0,0|0,0,0]=2 138 B8R1.3 O=C1CC[C@H](O)CO1 F13840 [1,0,0,1,0,0|0,0,2]=4 139 B8R1.5 C[C@H]1CCCCC1=O D77719 [1,0,0,1,0,0|1,0,1]=4 140 B8R1.5 C[C@H]1COCCC1=O 27832 [1,0,0,1,0,0|2,0,0]=4 141 B8R1.5 C[C@H]1CSCCC1=O 70869 [1,0,0,1,0,0|2,0,0]=4 142 B8R1.22 O=C1CCCCCN1 D94502 [1,0,0,1,0,0|1,0,1]=4 143 B8R1.22 O=C1CCCOCC1 P12770 [1,0,0,1,0,0|2,0,0]=4 144 B8R1.22 O=C1CCNCCN1 58405 [1,0,0,1,0,0|2,0,0]=4 145 B8R1.22 O=C1OCCCCO1 D93115 [1,0,0,1,0,0|1,0,1]=4 146 B8R1.38 CCC(=O)C1COC1 D79147 [1,0,0,1,0,0|2,0,0]=4 147 B8R1.38 CNC(=O)C1CNC1 P20515 [1,0,0,1,0,0|2,0,0]=4 148 B8R1.38 COC(=O)C1COC1 81275 [1,0,0,1,0,0|1,0,0]=3 149 B8R1.38 COC(=O)[C@@H]1CCN1 38788 [1,0,0,1,0,0|1,0,1]=4 150 B8R1.40 COC(=O)CC1CC1 28012 [1,0,0,1,0,0|0,0,1]=3 151 B8R1.50 CN1C(=O)CCC1=O D70368 [1,0,0,1,0,0|1,0,0]=3 152 B8R1.50 NN1C(=O)CCC1=O T70071 [1,0,0,1,0,0|2,0,0]=4 153 B8R1.4 CN1CCCC(=O)C1 S10664 [1,0,0,1,0,0|1,0,1]=4 154 B8R1.4 C[C@H]1CC(=O)CCN1 37834 [1,0,0,1,0,0|2,0,0]=4 155 B8R1.4 C[C@H]1CC(=O)CCN1 37835 [1,0,0,1,0,0|2,0,0]=4 156 B8R1.4 C[C@H]1CC(=O)CCN1 37846 [1,0,0,1,0,0|2,0,0]=4 157 B8R1.4 C[C@H]1CC(=O)CCO1 P11761 [1,0,0,1,0,0|2,0,0]=4 158 B8R1.6 CCCC1CC(=O)C1 D96728 [1,0,0,1,0,0|1,0,1]=4 159 B8R1.7 CC(=O)[C@H]1CCOC1 79964 [1,0,0,1,0,0|0,0,1]=3 160 B8R1.7 NC(=O)[C@H]1CCOC1 39026 [1,0,0,1,0,0|1,0,1]=4 161 B8R1.7 O=C(O)[C@H]1CCOC1 59930 [1,0,0,1,0,0|1,0,1]=4 162 B8R1.7 O=C(O)[C@H]1CCOC1 66517 [1,0,0,1,0,0|1,0,1]=4 163 B8R1.34 CC(=O)CC1CCC1 D79207 [1,0,0,1,0,0|1,0,1]=4 164 B8R1.34 CC(=O)CC1COC1 CS1731 [1,0,0,1,0,0|0,0,1]=3 165 B8R1.34 O=C(O)CC1COC1 66388 [1,0,0,1,0,0|1,0,1]=4 166 B8R1.34 O=C([O-])CC1COC1 P19943 [1,0,0,1,0,0|1,0,1]=4 167 B8R1.23 CC(=O)N1CC(=O)C1 D96529 [1,0,0,1,0,0|1,0,0]=3 168 B8R1.23 NC1CC(C(=O)O)C1 38020 [1,0,0,1,0,0|1,0,1]=4 169 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 26939 [1,0,0,1,0,0|1,0,1]=4 170 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 36354 [1,0,0,1,0,0|1,0,1]=4 171 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 37102 [1,0,0,1,0,0|1,0,1]=4 172 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 P10391 [1,0,0,1,0,0|1,0,1]=4 173 B8R1.23 O=C(O)C1CC(Br)C1 D79265 [1,0,0,1,0,0|1,0,1]=4 174 B8R1.23 O=C(O)C1CC(F)C1 37218 [1,0,0,1,0,0|1,0,1]=4 175 B8R1.23 O=C(O)[C@H]1C[C@H](Br)C1 D79072 [1,0,0,1,0,0|1,0,1]=4 176 B8R1.23 O=C(O)[C@H]1C[C@H](Cl)C1 P15601 [1,0,0,1,0,0|1,0,1]=4 177 B8R1.23 O=C1C[C@@H](C(=O)O)N1 P10146 [1,0,0,1,0,0|1,0,0]=3 178 B8R1.23 O=C1C[C@@H](C(=O)O)N1 P11831 [1,0,0,1,0,0|1,0,0]=3 179 B8R1.51 CC1(C)CCC(=O)C1 55299 [1,0,0,1,0,0|1,0,1]=4 180 B8R1.51 CC1(C)CCC(=O)O1 48435 [1,0,0,1,0,0|1,0,1]=4 181 B8R1.18 CN1CC(=O)OC1=O Y11634 [0,0,0,1,1,0|2,0,0]=4 182 B10R1.13 C=C1CCN(C(C)=O)CC1 F20166 [0,0,0,1,0,1|2,0,0]=4 183 B10R1.13 CC(=O)[C@@H]1CC=C(C)CC1 25854 [0,0,0,1,0,1|2,0,0]=4 184 B10R1.13 NC(=O)C1CCC(=O)CC1 S11473 [0,0,0,1,0,1|2,0,0]=4 185 B10R1.13 O=C1CC[C@@H](C(=O)O)NC1 66144 [0,0,0,1,0,1|2,0,0]=4 186 B10R1.13 O=C1CN[C@H](C(=O)O)CN1 O11485 [0,0,0,1,0,1|2,0,0]=4 187 B10R1.14 COC(=O)C1=CC(=O)CC1 24403 [0,0,0,1,0,1|0,0,1]=3 188 B10R1.14 COC(=O)C1CCC(O)C1 P17887 [0,0,0,1,0,1|0,0,2]=4 189 B10R1.14 COC(=O)[C@@H]1CCC(=S)N1 W12371 [0,0,0,1,0,1|1,1,0]=4 190 B10R1.14 COC(=O)[C@@H]1CC[C@H](N)C1 86119 [0,0,0,1,0,1|1,0,1]=4 191 B10R1.14 COC(=O)[C@@H]1CC[C@H](N)C1 P13549 [0,0,0,1,0,1|1,0,1]=4 192 B10R1.14 COC(=O)[C@@H]1CC[C@H](O)C1 P13902 [0,0,0,1,0,1|0,0,2]=4 193 B10R1.14 COC(=O)[C@@H]1COC(=O)N1 74856 [0,0,0,1,0,1|1,0,0]=3 194 B10R1.14 COC(=O)[C@@H]1C[C@@H](F)CN1 71650 [0,0,0,1,0,1|1,0,1]=4 195 B10R1.14 COC(=O)[C@@H]1C[C@@H](F)CN1 AT21627 [0,0,0,1,0,1|1,0,1]=4 196 B10R1.14 COC(=O)[C@@H]1C[C@H](F)CN1 72963 [0,0,0,1,0,1|1,0,1]=4 197 B10R1.14 COC(=O)[C@@H]1C[C@H](F)CN1 83570 [0,0,0,1,0,1|1,0,1]=4 198 B10R1.14 COC(=O)[C@H]1CCC(=O)C1 P10176 [0,0,0,1,0,1|0,0,0]=2 199 B10R1.14 COC(=O)[C@H]1CCC(=O)C1 P12477 [0,0,0,1,0,1|0,0,0]=2 200 B10R1.14 COC(=O)[C@H]1CCN(C)C1 F12360 [0,0,0,1,0,1|2,0,0]=4 201 B10R1.14 COC(=O)[C@H]1CC[C@H](Br)C1 P16721 [0,0,0,1,0,1|1,0,1]=4 202 B10R1.14 COC(=O)[C@H]1CC[C@H](N)C1 P13551 [0,0,0,1,0,1|1,0,1]=4 203 B10R1.14 COC(=O)[C@H]1CC[C@H](N)C1 P20282 [0,0,0,1,0,1|1,0,1]=4 204 B10R1.14 COC(=O)[C@H]1CC[C@H](O)C1 P16736 [0,0,0,1,0,1|0,0,2]=4 205 B10R1.54 CC(=O)O[C@@H]1C=CC(=O)C1 A10073 [0,0,0,1,0,1|1,0,1]=4 206 B10R1.54 CC(=O)O[C@@H]1C=CC(=O)C1 P15221 [0,0,0,1,0,1|1,0,1]=4 207 B10R1.54 O=C(O)C[C@H]1CCC(=O)C1 80174 [0,0,0,1,0,1|2,0,0]=4 208 B10R1.54 O=C(O)C[C@H]1CCC(=O)N1 AT10889 [0,0,0,1,0,1|2,0,0]=4 209 B10R1.150 COC(=O)CC1CC(=O)C1 84726 [0,0,0,1,0,1|0,0,0]=2 210 B10R1.150 COC(=O)CC1CC(N)C1 P19705 [0,0,0,1,0,1|1,0,1]=4 211 B10R1.150 COC(=O)CC1CC(O)C1 P17672 [0,0,0,1,0,1|0,0,2]=4 212 B10R1.194 CN1C(=O)CC[C@H]1C(=O)O D78920 [0,0,0,1,0,1|2,0,0]=4 213 B10R1.194 CN1C(=O)CC[C@H]1C(=O)O F14371 [0,0,0,1,0,1|2,0,0]=4 214 B10R1.408 COC(=O)[C@H]1C[C@@H]1C(=O)O P15598 [0,0,0,1,0,1|1,0,0]=3 215 B10R1.408 COC(=O)[C@H]1C[C@H]1C(=O)O P15789 [0,0,0,1,0,1|1,0,0]=3 216 B10R1.408 COC(=O)[C@H]1C[C@H]1C(=O)O P17161 [0,0,0,1,0,1|1,0,0]=3 217 B10R1.83 CC1(C)C(=O)C[C@@H]1C(=O)O 38974 [0,1,0,1,0,0|2,0,0]=4 218 B10R1.413 COC(=O)C1CC(C)(C)C1 37689 [0,1,0,1,0,0|1,0,1]=4 219 B10R1.64 CC(=O)O[C@H]1CCNC1=O W17926 [0,1,0,1,0,0|2,0,0]=4 220 B10R1.64 O=C(O)CN1CCOC1=O W18556 [0,1,0,1,0,0|2,0,0]=4 221 B10R1.184 COC(=O)[C@@H](O)CC1CC1 69648 [0,1,0,1,0,0|1,0,1]=4 222 B10R1.424 COC(=O)[C@]1(C)C[C@H](O)C1 P13533 [0,1,0,1,0,0|0,0,2]=4 223 B10R1.71 O=C1CCC(=O)OCCO1 D93050 [0,1,0,1,0,0|0,0,0]=2 224 B10R1.169 COC(=O)C1CC(C=O)C1 F16729 [0,1,0,1,0,0|0,0,1]=3 225 B10R1.169 COC(=O)C1CC(CN)C1 P14518 [0,1,0,1,0,0|1,0,1]=4 226 B10R1.169 COC(=O)C1CC(CO)C1 W11147 [0,1,0,1,0,0|0,0,2]=4 227 B10R1.169 COC(=O)[C@H]1C[C@@H](CO)C1 D96731 [0,1,0,1,0,0|0,0,2]=4 228 B10R1.113 CC(=O)N1CCCC(=O)C1 F13225 [0,1,0,1,0,0|2,0,0]=4 229 B10R1.113 CC(=O)N1CCNC(=O)C1 P16067 [0,1,0,1,0,0|2,0,0]=4 230 B10R1.113 O=C1C=CC[C@H](C(=O)O)C1 F18279 [0,1,0,1,0,0|2,0,0]=4 231 B10R1.113 O=C1CCC[C@H](C(=O)O)C1 D96696 [0,1,0,1,0,0|2,0,0]=4 232 B10R1.113 O=C1CCC[C@H](C(=O)O)C1 D96697 [0,1,0,1,0,0|2,0,0]=4 233 B10R1.113 O=C1CCC[C@H](C(=O)O)C1 F30241 [0,1,0,1,0,0|2,0,0]=4 234 B10R1.113 O=C1CCN[C@H](C(=O)O)C1 F13748 [0,1,0,1,0,0|2,0,0]=4 235 B10R1.140 CCOC(=O)C1CC(Br)C1 P17727 [0,1,0,1,0,0|1,0,1]=4 236 B10R1.140 CCOC(=O)C1CC(N)C1 87719 [0,1,0,1,0,0|1,0,1]=4 237 B10R1.140 CCOC(=O)[C@H]1C[C@@H](N)C1 C77307 [0,1,0,1,0,0|1,0,1]=4 238 B10R1.140 CCOC(=O)[C@H]1C[C@@H](O)C1 P11948 [0,1,0,1,0,0|0,0,2]=4 239 B6R0.2 CC(=O)CC(=O)[O-] T70807 [1,0,0,0,1,0|0,0,1]=3 240 B6R0.2 CC(=O)\C=C(\C)[O-] F16607 [1,0,0,0,1,0|0,0,2]=4 241 B6R0.2 CC(=O)\C=C(\C)[O-] T70322 [1,0,0,0,1,0|0,0,2]=4 242 B6R0.2 CC(=O)\C=C(\C)[O-] T71766 [1,0,0,0,1,0|0,0,2]=4 243 B6R0.2 CC(=O)\C=C(\C)[O-] T71857 [1,0,0,0,1,0|0,0,2]=4 244 B6R0.2 C[C@H](O)CC(=O)O C10552 [1,0,0,0,1,0|0,0,2]=4 245 B6R0.2 NC(=O)CC(=O)O F20599 [1,0,0,0,1,0|1,0,0]=3 246 B6R0.3 COC(=O)N(C)C D93880 [0,0,0,0,2,0|2,0,0]=4 247 B10R0.55 COC(=O)CCCCC(C)=O F16317 [0,0,0,0,0,2|0,0,0]=2