0 B9R1.35 CC(=O)N1CCC(=O)C1 C74751 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.35 CC(=O)[C@H]1CCC(=O)C1 F53665 [0,0,0,0,0,0|2,0,0]=2 2 B9R1.35 CC1=NO[C@H](C(=O)O)C1 H10561 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.35 CN1CC[C@H](C(=O)O)C1 P14492 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.35 C[C@H]1CC[C@@H](C(=O)O)N1 AT11433 [0,0,0,0,0,0|1,0,1]=2 5 B9R1.35 NC1=N[C@H](C(=O)O)CS1 D77103 [0,0,0,0,0,0|2,0,1]=3 6 B9R1.35 NC1CNC(C(=O)O)C1 F19644 [0,0,0,0,0,0|3,0,1]=4 7 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 AC1030 [0,0,0,0,0,0|2,0,1]=3 8 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 S11069 [0,0,0,0,0,0|2,0,1]=3 9 B9R1.35 N[C@H]1CN[C@H](C(=O)O)C1 C15010 [0,0,0,0,0,0|3,0,1]=4 10 B9R1.35 N[C@H]1CN[C@H](C(=O)O)C1 C74364 [0,0,0,0,0,0|3,0,1]=4 11 B9R1.35 O=C(O)C1=CC=C(Br)N1 O11354 [0,0,0,0,0,0|1,0,3]=4 12 B9R1.35 O=C(O)C1=CC=C(Cl)N1 AT16176 [0,0,0,0,0,0|1,0,3]=4 13 B9R1.35 O=C(O)C1=CN=C(Cl)N1 AT15386 [0,0,0,0,0,0|2,0,2]=4 14 B9R1.35 O=C(O)C1CC(F)CN1 39473 [0,0,0,0,0,0|3,0,1]=4 15 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 P13403 [0,0,0,0,0,0|3,0,1]=4 16 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 P14546 [0,0,0,0,0,0|3,0,1]=4 17 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 P10236 [0,0,0,0,0,0|3,0,1]=4 18 B9R1.35 O=C(O)[C@@H]1C[C@H](S)CN1 P11252 [0,0,0,0,0,0|2,1,1]=4 19 B9R1.35 O=C1C[C@H](C(=O)O)CN1 P15832 [0,0,0,0,0,0|2,0,0]=2 20 B9R1.35 O=C1NC[C@@H](C(=O)O)O1 W19722 [0,0,0,0,0,0|2,0,0]=2 21 B9R1.35 O=C1N[C@H](C(=O)O)CO1 93866 [0,0,0,0,0,0|1,0,0]=1 22 B8R1.1 C=C[C@@H]1COC(=O)C1 88424 [1,0,0,0,0,0|3,0,0]=4 23 B8R1.1 CC[C@H]1CCC(=O)C1 W18649 [1,0,0,0,0,0|2,0,1]=4 24 B8R1.1 CC[C@H]1CCC(=O)N1 D72846 [1,0,0,0,0,0|1,0,1]=3 25 B8R1.1 CC[C@H]1COC(=O)N1 W10319 [1,0,0,0,0,0|2,0,1]=4 26 B8R1.1 NC[C@H]1COC(=O)N1 P15383 [1,0,0,0,0,0|2,0,1]=4 27 B8R1.1 O=C1CC[C@H](CBr)O1 C12574 [1,0,0,0,0,0|2,0,1]=4 28 B8R1.1 O=C1CC[C@H](CI)N1 AT14276 [1,0,0,0,0,0|1,0,1]=3 29 B8R1.1 O=C1CC[C@H](CO)C1 D97067 [1,0,0,0,0,0|1,0,1]=3 30 B8R1.7 CC(=O)[C@@H]1CCCN1 F13089 [1,0,0,0,0,0|1,0,1]=3 31 B8R1.7 CC(=O)[C@@H]1CCCO1 74204 [1,0,0,0,0,0|2,0,1]=4 32 B8R1.7 CC(=O)[C@H]1CCNC1 78818 [1,0,0,0,0,0|3,0,0]=4 33 B8R1.7 CC(O)[C@@H]1CCCN1 AT26535 [1,0,0,0,0,0|1,0,2]=4 34 B8R1.7 NC(=O)[C@H]1CCNC1 P11232 [1,0,0,0,0,0|3,0,0]=4 35 B8R1.7 O=C(Cl)[C@H]1CCOC1 A12769 [1,0,0,0,0,0|3,0,0]=4 36 B8R1.7 O=C(O)[C@@H]1C=CCN1 F10849 [1,0,0,0,0,0|2,0,0]=3 37 B8R1.7 O=C(O)[C@@H]1CCCS1 98590 [1,0,0,0,0,0|1,0,1]=3 38 B8R1.7 O=C(O)[C@@H]1CCCS1 98591 [1,0,0,0,0,0|1,0,1]=3 39 B8R1.7 O=C(O)[C@@H]1CCNO1 AT14856 [1,0,0,0,0,0|2,0,0]=3 40 B10R1.14 C=C1CN[C@H](C(=O)OC)C1 D80706 [0,1,0,0,0,0|3,0,0]=4 41 B10R1.14 COC(=O)C1CCC(N)C1 F31402 [0,1,0,0,0,0|2,0,1]=4 42 B10R1.14 COC(=O)[C@@H]1CNC(=O)O1 94948 [0,1,0,0,0,0|2,0,0]=3 43 B10R1.14 COC(=O)[C@H]1CC[C@H](N)C1 P17296 [0,1,0,0,0,0|2,0,1]=4 44 B10R1.14 COC(=O)[C@H]1CC[C@H](N)C1 S10609 [0,1,0,0,0,0|2,0,1]=4 45 B10R1.55 O=C1CC[C@@H](C(F)(F)F)N1 AT19173 [0,1,0,0,0,0|2,0,1]=4 46 B10R1.59 CC(C)[C@@H]1NC(=O)C[C@H]1O W16067 [0,1,0,0,0,0|2,0,1]=4 47 B10R1.59 C[C@H]1OC(=O)N[C@@H]1C(=O)O 93924 [0,1,0,0,0,0|1,0,0]=2 48 B10R1.194 CN1C(=O)CC[C@H]1C(N)=O F13274 [0,1,0,0,0,0|1,0,0]=2 49 B10R1.359 CC1(C)CC[C@@H](C(=O)O)N1 AT23798 [0,1,0,0,0,0|1,0,1]=3 50 B10R1.470 C[C@@]1(C(=O)O)CNC(=O)C1 AT19127 [0,1,0,0,0,0|2,0,0]=3 51 B8R0.8 C=CCC[C@H](N)C(=O)O AT23573 [0,0,1,0,0,0|1,0,0]=2 52 B8R0.8 C=CCC[C@H](N)C(=O)O AT23574 [0,0,1,0,0,0|1,0,0]=2 53 B8R0.8 CC#CC[C@H](N)C(=O)O C15512 [0,0,1,0,0,0|1,0,2]=4 54 B8R0.8 CCCC[C@H](N)C(N)=O S11604 [0,0,1,0,0,0|2,0,1]=4 55 B8R0.8 CCOC[C@H](N)C(=O)O AT12801 [0,0,1,0,0,0|2,0,1]=4 56 B8R0.9 CNC(=O)NCC(=O)O AT23077 [0,0,1,0,0,0|1,0,0]=2 57 B8R0.9 NCC(=O)NCC(N)=O AC8959 [0,0,1,0,0,0|2,0,0]=3 58 B8R0.9 NNC(=O)NCC(=O)O E70069 [0,0,1,0,0,0|2,0,0]=3 59 B8R0.9 [15NH2]CC(=O)CCC(=O)O D98679 [0,0,1,0,0,0|2,0,0]=3 60 B8R0.15 CCO[C@@H](CC)C(=O)O AC6373 [0,0,1,0,0,0|2,0,1]=4 61 B8R0.23 CC(=O)N[C@@H](C)C(N)=O FD21101 [0,0,1,0,0,0|1,0,0]=2 62 B8R0.23 CC(C)O[C@@H](C)C(=O)O AT22894 [0,0,1,0,0,0|2,0,1]=4 63 B8R0.23 C[C@H](NC(=N)N)C(=O)O C15104 [0,0,1,0,0,0|2,0,0]=3 64 B8R0.23 C[C@H](NC(N)=O)C(=O)O AT23076 [0,0,1,0,0,0|1,0,0]=2 65 B8R0.23 O=C(O)C[C@H](Br)C(=O)O 12185 [0,0,1,0,0,0|3,0,0]=4 66 B8R0.23 O=C(O)C[C@H](F)C(=O)O AC5755 [0,0,1,0,0,0|3,0,0]=4 67 B8R0.23 [15NH2]C(=O)C[C@H]([15NH2])C(=O)O 41391 [0,0,1,0,0,0|3,0,0]=4 68 B8R0.23 [15NH2][C@@H](CC(=O)O)C(=O)O 41415 [0,0,1,0,0,0|3,0,0]=4 69 B8R0.28 CC(=O)CCCC(C)=O AC9369 [0,0,1,0,0,0|2,0,0]=3 70 B8R0.28 CN(C)CCCC(=O)O A11102 [0,0,1,0,0,0|3,0,0]=4 71 B8R0.28 NC(=O)NCCC(=O)O A12540 [0,0,1,0,0,0|1,0,0]=2 72 B10R2.60 O=C1CC2CC1CC2=O AC5793 [0,0,0,1,0,0|2,0,0]=3 73 B10R2.357 O=C(O)[C@@H]1C[C@@H]2C[C@@H]2N1 P10629 [0,0,0,1,0,0|1,0,1]=3 74 B8R1.23 C[C@H]1C[C@@H](C(=O)O)C1 37681 [0,0,0,0,1,0|2,0,1]=4 75 B8R1.23 NC1CC(C(=O)O)C1 87717 [0,0,0,0,1,0|2,0,1]=4 76 B8R1.31 C[C@H]1NC[C@@H]1C(=O)O P18148 [0,0,0,0,1,0|2,0,1]=4 77 B10R1.13 CC(=O)C1CCC(=O)CC1 F53160 [0,0,0,0,0,1|2,0,0]=3 78 B10R1.13 C[C@@H]1CC[C@H](C(=O)O)CN1 C90710 [0,0,0,0,0,1|1,0,1]=3 79 B10R1.13 C[C@H]1CC[C@H](C(=O)O)CN1 F18655 [0,0,0,0,0,1|1,0,1]=3 80 B10R1.13 O=C1CC[C@@H](C(=O)O)NC1 P10634 [0,0,0,0,0,1|0,0,0]=1 81 B10R1.13 O=C1CN[C@H](C(=O)O)CN1 74997 [0,0,0,0,0,1|1,0,0]=2 82 B10R1.13 O=C1CN[C@H](C(=O)O)CN1 C73109 [0,0,0,0,0,1|1,0,0]=2 83 B10R1.54 CN1CC[C@H](CC(=O)O)C1 C77745 [0,0,0,0,0,1|3,0,0]=4 84 B10R1.54 O=C(O)CC1CCC(O)C1 AT26924 [0,0,0,0,0,1|1,0,2]=4 85 B10R1.54 O=C(O)CN1CCC(=O)C1 W10201 [0,0,0,0,0,1|2,0,0]=3 86 B10R1.54 O=C(O)C[C@H]1CCC(=O)C1 88864 [0,0,0,0,0,1|1,0,0]=2 87 B10R1.54 O=C(O)C[C@H]1CCC(=O)N1 AT18840 [0,0,0,0,0,1|0,0,0]=1 88 B10R1.54 O=C1CC[C@H](C[N+](=O)[O-])C1 80094 [0,0,0,0,0,1|2,0,1]=4 89 B10R1.113 CC1CC(C(=O)O)CCN1 88368 [0,0,0,0,0,1|2,0,1]=4 90 B10R1.113 CN1CCN[C@H](C(=O)O)C1 AB2925 [0,0,0,0,0,1|3,0,0]=4 91 B10R1.113 CN1CCO[C@H](C(=O)O)C1 F17615 [0,0,0,0,0,1|3,0,0]=4 92 B10R1.113 C[C@H]1CNC[C@@H](C(=O)O)O1 F18898 [0,0,0,0,0,1|2,0,1]=4 93 B10R1.113 C[C@H]1CNC[C@@H](C(=O)O)O1 F18902 [0,0,0,0,0,1|2,0,1]=4 94 B10R1.113 N[C@H]1CCC[C@H](C(=O)O)C1 P11798 [0,0,0,0,0,1|2,0,1]=4 95 B10R1.113 O=C1CCN[C@H](C(=O)O)C1 70893 [0,0,0,0,0,1|1,0,0]=2 96 B10R1.113 O=C1CCN[C@H](C(=O)O)C1 C14251 [0,0,0,0,0,1|1,0,0]=2 97 B10R1.113 O=C1CNC[C@@H](C(=O)O)N1 76385 [0,0,0,0,0,1|0,0,0]=1 98 B10R1.113 O=C1COC[C@@H](B(O)O)C1 91458 [0,0,0,0,0,1|2,0,1]=4 99 B10R1.113 O=C1CSC[C@@H](C(=O)O)N1 AT25443 [0,0,0,0,0,1|0,0,0]=1 100 B7R0.3 CNC(=O)NCCO AT23083 [1,0,1,0,0,0|1,0,1]=4 101 B7R0.4 C=CCOCC(=O)O D77063 [1,0,1,0,0,0|2,0,0]=4 102 B7R0.4 CC\C=C/CC(=O)O F18341 [1,0,1,0,0,0|1,0,0]=3 103 B7R0.4 CNCCCC(N)=O AB11605 [1,0,1,0,0,0|2,0,0]=4 104 B7R0.4 NC(=O)CCCCBr AC9465 [1,0,1,0,0,0|1,0,1]=4 105 B7R0.4 NC(=O)CCCCCl AC5718 [1,0,1,0,0,0|1,0,1]=4 106 B7R0.4 NCCCCC(N)=O AC3685 [1,0,1,0,0,0|1,0,1]=4 107 B7R0.4 NCCSCC(=O)O AT25571 [1,0,1,0,0,0|1,0,1]=4 108 B7R0.5 CNC[C@H](N)C(=O)O 88602 [1,0,1,0,0,0|1,0,1]=4 109 B7R0.5 C[Se]C[C@H](N)C(=O)O C16524 [1,0,1,0,0,0|1,0,1]=4 110 B7R0.5 NCC[C@H](F)C(=O)O F19724 [1,0,1,0,0,0|2,0,0]=4 111 B7R0.5 NCC[C@H](N)C(=O)O F10323 [1,0,1,0,0,0|1,0,0]=3 112 B7R0.6 C=C(Br)CNC(C)=O AC9658 [1,0,1,0,0,0|2,0,0]=4 113 B7R0.6 CC(=S)NCC(=O)O D92690 [1,0,1,0,0,0|0,1,0]=3 114 B7R0.15 CC[C@@H](CN)C(=O)O 97589 [1,0,1,0,0,0|1,0,1]=4 115 B7R0.2 CC(=O)N[C@@H](C)CO C91213 [1,0,1,0,0,0|0,0,1]=3 116 B7R1.1 OC[C@H]1CCCN1 11147 [2,0,0,0,0,0|0,0,2]=4 117 B7R1.2 C[C@H]1COC(=O)N1 C77658 [2,0,0,0,0,0|1,0,1]=4 118 B7R1.2 C[C@H]1NCC(=O)N1 F31285 [2,0,0,0,0,0|1,0,1]=4 119 B7R1.2 C[C@H]1NCC(=O)N1 F31286 [2,0,0,0,0,0|1,0,1]=4 120 B7R1.2 N[C@H]1CCC(=O)C1 C14417 [2,0,0,0,0,0|2,0,0]=4 121 B7R1.2 O=C1CCC(=S)N1 N13285 [2,0,0,0,0,0|0,1,1]=4 122 B7R1.2 O=C1CC[C@H](F)C1 P11910 [2,0,0,0,0,0|2,0,0]=4 123 B9R0.7 CC(C)=CC[C@H](N)C(=O)O A50387 [0,1,1,0,0,0|1,0,1]=4 124 B9R0.7 CC(C)=CC[C@H](N)C(=O)O A50388 [0,1,1,0,0,0|1,0,1]=4 125 B9R0.7 CC(C)=CC[C@H](N)C(=O)O A50389 [0,1,1,0,0,0|1,0,1]=4 126 B9R0.7 N=C(N)NC[C@H](N)C(=O)O AC4354 [0,1,1,0,0,0|2,0,0]=4 127 B9R0.7 O=C(O)CC[C@H](O)C(=O)O FD21404 [0,1,1,0,0,0|1,0,0]=3 128 B9R0.7 [15NH2]C(=O)CC[C@H]([15NH2])C(=O)O 41401 [0,1,1,0,0,0|0,0,0]=2 129 B9R0.8 C=CCC[C@H](N)C(=O)OC AT15758 [0,1,1,0,0,0|1,0,0]=3 130 B9R0.13 CCCC[C@H](NC)C(=O)O AT16731 [0,1,1,0,0,0|1,0,1]=4 131 B9R0.13 CCCC[C@H](NC)C(=O)O C15089 [0,1,1,0,0,0|1,0,1]=4 132 B9R0.47 NCCCC[C@H]([15NH2])C(=O)O D98677 [0,1,1,0,0,0|1,0,1]=4 133 B9R0.47 [N-]=[N+]=NCC[C@H](N)C(=O)O C70032 [0,1,1,0,0,0|2,0,0]=4 134 B9R0.51 [2H][C@](N)(CCSC)C(=O)O D97873 [0,1,1,0,0,0|2,0,0]=4 135 B9R0.23 C=C(CC(=O)O)C(=O)OC 20464 [0,1,1,0,0,0|2,0,0]=4 136 B9R0.24 COC(=O)CNC(=O)OC AC6655 [0,1,1,0,0,0|1,0,0]=3 137 B9R0.64 CNS(=O)(=O)NCC(=O)O AT20323 [0,1,1,0,0,0|2,0,0]=4 138 B9R0.39 CC(=O)N[C@@H](CO)C(=O)O W10597 [0,1,1,0,0,0|1,0,0]=3 139 B9R0.39 CC(=O)N[C@@H](CS)C(N)=O C15712 [0,1,1,0,0,0|2,0,0]=4 140 B9R0.39 NC(=O)N[C@@H](CO)C(=O)O AT23081 [0,1,1,0,0,0|1,0,0]=3 141 B9R0.11 C=C(C)CC(C)(C)C(=O)O E72364 [0,1,1,0,0,0|2,0,0]=4 142 B9R0.11 C[C@](O)(CC(=O)O)C(=O)O AT23394 [0,1,1,0,0,0|2,0,0]=4 143 B9R0.57 C[C@H](NS(C)(=O)=O)C(=O)O AT10436 [0,1,1,0,0,0|1,0,0]=3 144 B9R0.57 C[C@H](NS(C)(=O)=O)C(=O)O AT10471 [0,1,1,0,0,0|1,0,0]=3 145 B9R0.56 CS(=O)(=O)CCCC(=O)O AT13642 [0,1,1,0,0,0|2,0,0]=4 146 B9R0.56 O=C(O)CCCP(=O)(O)O T72478 [0,1,1,0,0,0|2,0,0]=4 147 B9R1.7 CNC[C@H]1CCC(=O)N1 AT13580 [1,1,0,0,0,0|1,0,1]=4 148 B9R1.7 N#CC[C@H]1CCC(=O)N1 AT10063 [1,1,0,0,0,0|1,0,1]=4 149 B9R1.7 N#CC[C@H]1CCC(=O)N1 AT13573 [1,1,0,0,0,0|1,0,1]=4 150 B9R1.7 N#CC[C@H]1CCC(=O)N1 AT14425 [1,1,0,0,0,0|1,0,1]=4 151 B9R1.7 O=C1CC[C@H](CCO)N1 AT10892 [1,1,0,0,0,0|0,0,1]=3 152 B9R1.125 C[C@@]1(C=O)CCC(=O)N1 P15163 [1,1,0,0,0,0|0,0,0]=2 153 B9R1.125 C[C@]1(CN)CCC(=O)N1 AT19164 [1,1,0,0,0,0|1,0,1]=4 154 B9R1.125 C[C@]1(CN)CCC(=O)N1 P12541 [1,1,0,0,0,0|1,0,1]=4 155 B9R1.125 C[C@]1(CO)CCC(=O)N1 P12670 [1,1,0,0,0,0|0,0,1]=3 156 B9R1.125 C[C@]1(CO)COC(=O)N1 AT13637 [1,1,0,0,0,0|1,0,1]=4 157 B9R1.132 C=C[C@@H]1CCC(=O)N1C 94190 [1,1,0,0,0,0|1,0,0]=3 158 B9R1.132 C=C[C@@H]1CCC(=O)N1C 94195 [1,1,0,0,0,0|1,0,0]=3 159 B9R1.132 CN1C(=O)CC[C@H]1C#N F13273 [1,1,0,0,0,0|1,0,1]=4 160 B9R1.132 CN1C(=O)CC[C@H]1C=O 94189 [1,1,0,0,0,0|0,0,0]=2 161 B9R1.132 CN1C(=O)CC[C@H]1C=O 94194 [1,1,0,0,0,0|0,0,0]=2 162 B9R1.11 CNC(=O)[C@@H]1CCCN1 C78390 [1,1,0,0,0,0|1,0,1]=4 163 B9R1.11 CNC(=O)[C@@H]1CCCN1 C78509 [1,1,0,0,0,0|1,0,1]=4 164 B9R1.11 COC(=O)[C@@H]1C=CCN1 F10707 [1,1,0,0,0,0|2,0,0]=4 165 B9R1.11 COC(=O)[C@@H]1CSCN1 D74074 [1,1,0,0,0,0|1,0,1]=4 166 B9R1.11 COC(=O)[C@H]1CCNC1 C15796 [1,1,0,0,0,0|2,0,0]=4 167 B9R1.41 C[C@@H]1OCC[C@@H]1C(=O)O W10213 [1,1,0,0,0,0|2,0,0]=4 168 B9R1.41 C[C@H]1CNC[C@@H]1C(=O)O AT17205 [1,1,0,0,0,0|2,0,0]=4 169 B9R1.41 NC(=O)[C@H]1NCC[C@@H]1O E71624 [1,1,0,0,0,0|1,0,1]=4 170 B9R1.41 NC(=O)[C@H]1NCC[C@@H]1O W15326 [1,1,0,0,0,0|1,0,1]=4 171 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O AT13997 [1,1,0,0,0,0|1,0,1]=4 172 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O AT13975 [1,1,0,0,0,0|1,0,1]=4 173 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F D97117 [1,1,0,0,0,0|0,0,1]=3 174 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O P14778 [1,1,0,0,0,0|0,0,1]=3 175 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O P16430 [1,1,0,0,0,0|0,0,1]=3 176 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O P14685 [1,1,0,0,0,0|0,0,1]=3 177 B9R1.163 C[C@]1(C(=O)O)CCNC1 D72045 [1,1,0,0,0,0|2,0,0]=4 178 B9R1.163 N[C@@]1(C(=O)O)CCNC1 F19622 [1,1,0,0,0,0|2,0,0]=4 179 B9R1.163 O=C(O)[C@]1(F)CCNC1 P12597 [1,1,0,0,0,0|2,0,0]=4 180 B9R1.163 O=C(O)[C@]1(O)CCNC1 32143 [1,1,0,0,0,0|2,0,0]=4 181 B9R1.163 O=C(O)[C@]1(O)CCOC1 F53622 [1,1,0,0,0,0|2,0,0]=4 182 B9R1.163 [2H][C@@]1(C(=O)O)CCCN1 D98940 [1,1,0,0,0,0|0,0,1]=3 183 B9R1.152 O=C1CC(F)(C(=O)O)C1 F53583 [0,1,0,0,1,0|1,0,0]=3 184 B9R1.81 COC(=O)C1CCC1N P20420 [0,1,0,0,1,0|1,0,1]=4 185 B9R1.81 COC(=O)[C@H]1CC[C@@H]1N AT10518 [0,1,0,0,1,0|1,0,1]=4 186 B11R1.21 CC1CC(C(=O)O)CCC1=O 33373 [0,1,0,0,0,1|1,0,0]=3 187 B11R1.22 C=C1CCC(C(=O)OC)CC1 AT23745 [0,1,0,0,0,1|2,0,0]=4 188 B11R1.22 COC(=O)C1CCC(O)CN1 F30865 [0,1,0,0,0,1|0,0,2]=4 189 B11R1.22 COC(=O)[C@H]1CC[C@@H](C)NC1 70015 [0,1,0,0,0,1|1,0,1]=4 190 B11R1.22 COC(=O)[C@H]1CC[C@@H](C)NC1 P14642 [0,1,0,0,0,1|1,0,1]=4 191 B11R1.22 COC(=O)[C@H]1CC[C@@H](C)NC1 P19193 [0,1,0,0,0,1|1,0,1]=4 192 B11R1.22 COC(=O)[C@H]1CC[C@H](C)NC1 W19558 [0,1,0,0,0,1|1,0,1]=4 193 B11R1.166 CC1CC(=O)CCC1C(=O)O AT19934 [0,1,0,0,0,1|1,0,0]=3 194 B11R1.166 CC1NC(=O)CCC1[N+](=O)[O-] F20284 [0,1,0,0,0,1|1,0,1]=4 195 B11R1.39 COC(=O)C[C@@H]1CNC(=O)C1 AC2980 [0,1,0,0,0,1|2,0,0]=4 196 B11R1.39 COC(=O)C[C@H]1CCC(=O)C1 80323 [0,1,0,0,0,1|1,0,0]=3 197 B11R1.39 COC(=O)C[C@H]1CCC(=O)C1 88865 [0,1,0,0,0,1|1,0,0]=3 198 B11R1.313 CN1C(=O)CC[C@@H]1CC(=O)O AT19055 [0,1,0,0,0,1|0,0,0]=2 199 B11R1.314 CC(C(=O)O)C1CCC(=O)N1 AT19054 [0,1,0,0,0,1|0,0,0]=2 200 B11R1.23 COC(=O)[C@@H]1CCCC(=O)N1 C92643 [0,1,0,0,0,1|0,0,0]=2 201 B11R1.23 COC(=O)[C@@H]1CCCC(=O)N1 C92649 [0,1,0,0,0,1|0,0,0]=2 202 B11R1.730 O=C(O)[C@H]1CCCS(=O)(=O)C1 D77940 [0,1,0,0,0,1|2,0,0]=4 203 B11R1.15 C=C1CC[C@H](C(=O)OCC)C1 89906 [0,2,0,0,0,0|2,0,0]=4 204 B11R1.15 CCOC(=O)[C@@H]1CCC(=S)N1 AC6921 [0,2,0,0,0,0|0,1,0]=3 205 B11R1.15 CCOC(=O)[C@@H]1CC[C@H](C)N1 C16215 [0,2,0,0,0,0|1,0,1]=4 206 B11R1.15 CCOC(=O)[C@@H]1CC[C@H](C)N1 Y10153 [0,2,0,0,0,0|1,0,1]=4 207 B11R1.15 CCOC(=O)[C@@H]1CSC(=O)N1 AT20235 [0,2,0,0,0,0|1,0,0]=3 208 B11R1.44 COC(=O)C1CCC(C=O)C1 AT13554 [0,2,0,0,0,0|1,0,1]=4 209 B11R1.44 COC(=O)[C@@H]1CCC(SC)=N1 E72597 [0,2,0,0,0,0|0,1,1]=4 210 B11R1.865 COC(=O)[C@@H]1CCC(=O)N1C 94187 [0,2,0,0,0,0|0,0,0]=2 211 B11R1.175 CC(=O)N1CC[C@H](C(=O)O)C1 C78417 [0,2,0,0,0,0|2,0,0]=4 212 B11R1.175 O=C(O)[C@H]1CC[C@H](C(=O)O)C1 C16422 [0,2,0,0,0,0|1,0,1]=4 213 B11R1.489 CC1(C)NC(=O)C[C@@H]1C(=O)O AT25730 [0,2,0,0,0,0|2,0,0]=4 214 B11R1.738 [2H]C1([2H])CC[C@@]([2H])(C(=O)O)N1 D98554 [0,2,0,0,0,0|1,0,1]=4 215 B9R1.6 O=C(O)[C@@H]1CCCNN1 50467 [0,0,1,1,0,0|1,0,1]=4 216 B9R1.69 N[C@H]1CCC(=O)NC1=O AC9237 [0,0,1,1,0,0|1,0,0]=3 217 B9R1.110 N[C@H](C(=O)O)C1CCC1 F51887 [0,0,1,1,0,0|1,0,1]=4 218 B9R1.10 C[C@]1(O)CCC(=O)NC1 N10620 [0,0,1,1,0,0|1,0,1]=4 219 B9R1.49 O=C1CCNC(=O)CC1 C91705 [0,0,1,1,0,0|2,0,0]=4 220 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(=O)O P18271 [0,0,1,1,0,0|2,0,0]=4 221 B9R1.53 O=C(O)C[C@H]1CC(=O)N1 AT19045 [0,0,1,1,0,0|0,0,0]=2 222 B9R2.147 O=C(O)C1C2CC1C2 57468 [0,0,0,1,1,0|1,0,1]=4 223 B11R2.47 O=C1NC2CCC1NC2=O 32184 [0,0,0,1,0,1|1,0,0]=3 224 B11R2.738 O=C1NC2CC1C(O)C2O W12262 [0,1,0,1,0,0|0,0,2]=4 225 B7R0.16 C=C(C)[C@H](N)C(=O)O N10436 [0,0,1,0,1,0|2,0,0]=4 226 B7R1.8 N#C[C@H]1CCC1=O 98576 [1,0,0,0,1,0|1,0,1]=4 227 B7R1.10 C=C1CC(C=O)C1 55091 [1,0,0,0,1,0|2,0,0]=4 228 B7R1.10 C=C[C@@H]1CC(=O)N1 AT19037 [1,0,0,0,1,0|1,0,0]=3 229 B9R0.4 CCCC[C@H](N)CC(=O)O N14199 [0,0,1,0,0,1|1,0,1]=4 230 B9R0.4 CCCC[C@H](N)CC(=O)O N14200 [0,0,1,0,0,1|1,0,1]=4 231 B9R0.55 O=C(O)CCCC[13C](=O)O D98793 [0,0,1,0,0,1|1,0,0]=3 232 B9R1.13 O=C(O)C[C@H]1CCNC1 P11648 [1,0,0,0,0,1|2,0,0]=4 233 B11R1.157 O=C(O)CN1CCNC(=O)C1 AT13742 [0,0,0,0,0,2|2,0,0]=4 234 B11R1.157 O=C(O)CN1CCNC(=O)C1 F10462 [0,0,0,0,0,2|2,0,0]=4 235 B11R1.157 O=C(O)C[C@H]1CCCC(=O)C1 97098 [0,0,0,0,0,2|1,0,0]=3 236 B11R1.157 O=C(O)C[C@H]1CCCC(=O)C1 97101 [0,0,0,0,0,2|1,0,0]=3