0 B8R0.28 CC(=O)CCC=C(C)C M68353 [0,0,0,0,0,0|1,0,2]=3 1 B8R0.28 CC(=O)CCCC(=O)O A41468 [0,0,0,0,0,0|3,0,1]=4 2 B8R0.28 CC(=O)NCCC(=O)O A60540 [0,0,0,0,0,0|3,0,1]=4 3 B8R0.28 CC(=O)OCOC(C)=O M41231 [0,0,0,0,0,0|2,0,1]=3 4 B8R0.28 CN(C)CCCC(=O)O D43497 [0,0,0,0,0,0|3,0,0]=3 5 B8R0.28 CN(C)C\C=C\C(=O)O D25643 [0,0,0,0,0,0|3,0,1]=4 6 B7R0.4 CC(=O)CCCCBr B41532 [1,0,0,0,0,0|2,0,0]=3 7 B7R0.4 CC(=O)OCCCBr B41266 [1,0,0,0,0,0|1,0,0]=2 8 B7R0.4 CC(=O)OCCCCl C39190 [1,0,0,0,0,0|1,0,0]=2 9 B7R0.4 CC(C)CCCCBr B43898 [1,0,0,0,0,0|2,0,1]=4 10 B7R0.4 CC(C)CCN=[N+]=[N-] A3458 [1,0,0,0,0,0|3,0,0]=4 11 B7R0.4 CCCCC[C@H](C)O H43947 [1,0,0,0,0,0|1,0,2]=4 12 B7R0.4 CCCCOC(N)=O B39165 [1,0,0,0,0,0|1,0,0]=2 13 B7R0.4 CCCOCC(=O)O P40387 [1,0,0,0,0,0|3,0,0]=4 14 B7R0.4 CCC\C=C\C(=O)O H41460 [1,0,0,0,0,0|2,0,1]=4 15 B7R0.4 CNCCCC(=O)O M63276 [1,0,0,0,0,0|3,0,0]=4 16 B7R0.4 COCCCC(=O)O M67387 [1,0,0,0,0,0|3,0,0]=4 17 B7R0.4 COCCNC(N)=O M36648 [1,0,0,0,0,0|3,0,0]=4 18 B7R0.4 O=C(O)CCCCBr B39187 [1,0,0,0,0,0|3,0,0]=4 19 B7R0.4 O=C(O)CCCCCl C39191 [1,0,0,0,0,0|3,0,0]=4 20 B7R0.4 O=C(O)CCCCO H37199 [1,0,0,0,0,0|3,0,0]=4 21 B7R0.4 O=C([O-])CCCCO S41306 [1,0,0,0,0,0|3,0,0]=4 22 B9R0.1 C=C(C)CCCC(=O)OC M47085 [0,1,0,0,0,0|1,0,2]=4 23 B9R0.1 COC(=O)CCCC(C)=O M62839 [0,1,0,0,0,0|2,0,1]=4 24 B9R0.1 COC(=O)\C=C\CN(C)C M43850 [0,1,0,0,0,0|2,0,1]=4 25 B9R0.7 CC(=O)OC[C@H](N)C(=O)O A41380 [0,1,0,0,0,0|2,0,1]=4 26 B9R0.7 CC(C)CC[C@@H](N)C(=O)O A43927 [0,1,0,0,0,0|2,0,0]=3 27 B9R0.53 CC(C)C[C@H](N)CC(=O)O A43926 [0,1,0,0,0,0|2,0,0]=3 28 B9R0.53 CC(C)C[C@H](N)CC(=O)O A43928 [0,1,0,0,0,0|2,0,0]=3 29 B9R0.56 CC(=O)SCC[N+](C)(C)C A38049 [0,1,0,0,0,0|1,1,0]=3 30 B9R1.35 CC(=O)N1CCC(=O)C1 A38370 [0,0,0,1,0,0|2,0,1]=4 31 B9R1.35 CC(=O)N1CC[C@@H](O)C1 A7835 [0,0,0,1,0,0|2,0,0]=3 32 B9R1.35 CC(=O)N1CC[C@H](N)C1 A14633 [0,0,0,1,0,0|2,0,0]=3 33 B9R1.35 CC(=O)N1CC[C@H](O)C1 H41507 [0,0,0,1,0,0|2,0,0]=3 34 B9R1.35 CC(C)[C@@H]1COC(=O)N1 P26884 [0,0,0,1,0,0|1,0,0]=2 35 B9R1.35 CC(C)[C@@H]1CSC(=S)N1 P41522 [0,0,0,1,0,0|1,2,0]=4 36 B9R1.35 CC(C)[C@H]1COC(=O)N1 P41504 [0,0,0,1,0,0|1,0,0]=2 37 B9R1.35 CN1CC[C@@H](C(=O)O)C1 M14179 [0,0,0,1,0,0|3,0,0]=4 38 B9R1.35 CN1CC[C@@H](C(=O)O)C1 M27617 [0,0,0,1,0,0|3,0,0]=4 39 B9R1.35 CN1CC[C@H](C(=O)O)C1 M11319 [0,0,0,1,0,0|3,0,0]=4 40 B9R1.35 CN1CC[C@H](C(=O)O)C1 M23984 [0,0,0,1,0,0|3,0,0]=4 41 B9R1.35 CN1CC[C@H](C(=O)O)C1 M7624 [0,0,0,1,0,0|3,0,0]=4 42 B9R1.35 C[C@@H]1CC[C@@H](C(=O)O)N1 M60259 [0,0,0,1,0,0|3,0,0]=4 43 B9R1.35 C[C@H]1CC[C@H](C(=O)O)N1 M60278 [0,0,0,1,0,0|3,0,0]=4 44 B9R1.35 NC1CCC(C(=O)O)C1 A11845 [0,0,0,1,0,0|3,0,0]=4 45 B9R1.35 NC1CCC(C(=O)O)C1 A15670 [0,0,0,1,0,0|3,0,0]=4 46 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 A15249 [0,0,0,1,0,0|3,0,0]=4 47 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 A20649 [0,0,0,1,0,0|3,0,0]=4 48 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 A15248 [0,0,0,1,0,0|3,0,0]=4 49 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 A43449 [0,0,0,1,0,0|3,0,0]=4 50 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 A25040 [0,0,0,1,0,0|3,0,0]=4 51 B9R1.35 N[C@H]1CC[C@H](C(=O)O)C1 A43450 [0,0,0,1,0,0|3,0,0]=4 52 B9R1.35 O=C(O)C1CCC(O)C1 H41473 [0,0,0,1,0,0|3,0,0]=4 53 B9R1.35 O=C1N[C@H](C(F)F)CO1 D59979 [0,0,0,1,0,0|3,0,0]=4 54 B9R1.49 CN1CCNC(=O)CC1 M10175 [0,0,0,1,0,0|2,0,0]=3 55 B9R1.49 N[C@H]1CCCC(=O)NC1 A43464 [0,0,0,1,0,0|3,0,0]=4 56 B9R1.49 O=C1CCC[C@H](O)CN1 H41499 [0,0,0,1,0,0|3,0,0]=4 57 B9R1.53 CC(=O)NC1CC(N)C1 A30123 [0,0,0,1,0,0|2,0,0]=3 58 B9R1.53 CC(=O)NC1CC(N)C1 N14377 [0,0,0,1,0,0|2,0,0]=3 59 B9R1.53 CC(=O)OC1CC(=O)C1 X11663 [0,0,0,1,0,0|1,0,1]=3 60 B9R1.53 CC(=O)O[C@H]1CC(=O)N1 A15221 [0,0,0,1,0,0|2,0,1]=4 61 B9R1.53 NC1CC(CC(=O)O)C1 A11674 [0,0,0,1,0,0|3,0,0]=4 62 B9R1.53 N[C@H]1C[C@@H](CC(=O)O)C1 A11675 [0,0,0,1,0,0|3,0,0]=4 63 B9R1.53 N[C@H]1C[C@@H](CC(=O)O)C1 A14838 [0,0,0,1,0,0|3,0,0]=4 64 B9R1.53 N[C@H]1C[C@H](CC(=O)O)C1 A11676 [0,0,0,1,0,0|3,0,0]=4 65 B9R1.66 CC1(C)CC(=O)CCN1 D46484 [0,0,0,1,0,0|2,0,0]=3 66 B9R1.66 CC1(C)CC(=O)CCO1 D17314 [0,0,0,1,0,0|2,0,0]=3 67 B9R1.66 CC1(C)CCCC(=O)C1 D22905 [0,0,0,1,0,0|1,0,0]=2 68 B9R1.66 CC1(C)CCC[C@H](N)C1 D59653 [0,0,0,1,0,0|2,0,1]=4 69 B9R1.66 CC1(C)C[C@@H](N)CCO1 D22688 [0,0,0,1,0,0|2,0,1]=4 70 B9R1.166 CC1(C)CN[C@@H]1C(=O)O A30117 [0,0,0,1,0,0|3,0,0]=4 71 B7R0.6 CC(=O)CCC(C)=O H64912 [0,0,0,0,1,0|1,0,1]=3 72 B7R0.6 CC(=O)CNC(C)=O X41261 [0,0,0,0,1,0|2,0,1]=4 73 B7R0.6 CC(=O)NN=C(C)C A66607 [0,0,0,0,1,0|2,0,1]=4 74 B7R0.6 CC(=O)NNC(C)C P40426 [0,0,0,0,1,0|2,0,0]=3 75 B7R0.6 CC(=O)\C=C\N(C)C D68911 [0,0,0,0,1,0|1,0,2]=4 76 B7R0.6 CN(C)CCC(=O)O D41335 [0,0,0,0,1,0|2,0,0]=3 77 B7R0.6 C[C@H](O)CC[C@H](C)O H68605 [0,0,0,0,1,0|1,0,2]=4 78 B7R0.6 O=C(O)CCC(F)F D59737 [0,0,0,0,1,0|3,0,0]=4 79 B9R0.55 CC(=O)CCCOC(C)=O X62778 [0,0,0,0,0,1|1,0,1]=3 80 B6R0.4 CC(=O)CCCCl C68599 [2,0,0,0,0,0|1,0,0]=3 81 B6R0.4 CC(=O)NCCN A68626 [2,0,0,0,0,0|2,0,0]=4 82 B6R0.4 CC(=O)NCCO H68625 [2,0,0,0,0,0|2,0,0]=4 83 B6R0.4 CC(=O)OCCBr B67892 [2,0,0,0,0,0|1,0,0]=3 84 B6R0.4 CC(C)CCCO M67872 [2,0,0,0,0,0|0,0,2]=4 85 B6R0.4 CCCCC(=N)N P41343 [2,0,0,0,0,0|2,0,0]=4 86 B6R0.4 CCCCC(=O)[O-] S38573 [2,0,0,0,0,0|1,0,0]=3 87 B6R0.4 CCCOC(N)=O P40264 [2,0,0,0,0,0|1,0,0]=3 88 B6R0.4 CNCCC(=O)O M40350 [2,0,0,0,0,0|2,0,0]=4 89 B6R0.4 CNCCN(C)C T41392 [2,0,0,0,0,0|2,0,0]=4 90 B6R0.4 COCCC(=O)O M40255 [2,0,0,0,0,0|2,0,0]=4 91 B6R0.4 NCCCC(N)=O A40304 [2,0,0,0,0,0|2,0,0]=4 92 B6R0.4 O=C(O)CCCBr B39154 [2,0,0,0,0,0|2,0,0]=4 93 B6R0.4 O=C(O)CCCCl C40232 [2,0,0,0,0,0|2,0,0]=4 94 B6R0.6 CC=CCCCO H41548 [2,0,0,0,0,0|2,0,0]=4 95 B6R0.6 CCCCCNC M41618 [2,0,0,0,0,0|2,0,0]=4 96 B6R0.6 O=CCCCCCl C41277 [2,0,0,0,0,0|2,0,0]=4 97 B6R0.6 O=CCCCCO H32202 [2,0,0,0,0,0|2,0,0]=4 98 B8R0.5 CCC[C@H](N)CC(=O)O A43488 [1,1,0,0,0,0|2,0,0]=4 99 B8R0.6 CCCC=CC(=O)OC M43802 [1,1,0,0,0,0|1,0,1]=4 100 B8R0.6 CCCCCC(=O)CBr B43868 [1,1,0,0,0,0|1,0,0]=3 101 B8R0.6 CCCCNC(=O)CCl B41547 [1,1,0,0,0,0|1,0,0]=3 102 B8R0.6 CNCCCC(=O)OC M43486 [1,1,0,0,0,0|2,0,0]=4 103 B8R0.6 COC(=O)CCCCBr M41523 [1,1,0,0,0,0|2,0,0]=4 104 B8R0.6 COC(=O)CCCCCl M63406 [1,1,0,0,0,0|2,0,0]=4 105 B8R0.6 COC(=O)CCCCN M43490 [1,1,0,0,0,0|2,0,0]=4 106 B8R0.6 COCCCC(=O)OC M68350 [1,1,0,0,0,0|2,0,0]=4 107 B8R0.7 CN(C)CCOCCO D68347 [1,1,0,0,0,0|1,0,1]=4 108 B8R0.7 COCCOCC(=O)O M37948 [1,1,0,0,0,0|2,0,0]=4 109 B8R0.7 O=C(O)CCCCCBr B67880 [1,1,0,0,0,0|2,0,0]=4 110 B8R0.7 O=C(O)CCCCCCl C41527 [1,1,0,0,0,0|2,0,0]=4 111 B8R0.7 O=C([O-])CCCCCO P41406 [1,1,0,0,0,0|2,0,0]=4 112 B8R0.8 CCCC[C@H](N)C(=O)O A68582 [1,1,0,0,0,0|2,0,0]=4 113 B8R0.21 CC(C)(S)CCOC=O M41553 [1,1,0,0,0,0|0,0,0]=2 114 B8R0.21 CCCCOS(C)(=O)=O B69150 [1,1,0,0,0,0|1,0,0]=3 115 B8R0.21 COCCOS(C)(=O)=O M39960 [1,1,0,0,0,0|2,0,0]=4 116 B8R0.23 CC(=O)C(=O)OC(C)C P65400 [0,1,0,0,1,0|1,0,1]=4 117 B8R0.23 CC(C)C[C@@H](N)C(=O)O L64923 [0,1,0,0,1,0|1,0,0]=3 118 B8R0.23 CC(C)C[C@@H](O)C(=O)O H41559 [0,1,0,0,1,0|1,0,0]=3 119 B8R0.23 CC(C)C[C@H](Br)C(=O)O B41525 [0,1,0,0,1,0|1,0,0]=3 120 B8R0.23 CC(C)C[C@H](Br)C(=O)O B41526 [0,1,0,0,1,0|1,0,0]=3 121 B8R0.23 CC(C)C[C@H](O)C(=O)O H37072 [0,1,0,0,1,0|1,0,0]=3 122 B8R0.23 CC(C)[C@@H](N)CC(=O)O A67729 [0,1,0,0,1,0|1,0,0]=3 123 B8R0.23 CC(C)[C@H](N)CC(=O)O A38977 [0,1,0,0,1,0|1,0,0]=3 124 B8R0.23 CC(C)[C@H](N)CC(=O)O A43501 [0,1,0,0,1,0|1,0,0]=3 125 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O A41340 [0,1,0,0,1,0|2,0,0]=4 126 B8R0.29 CC(C)(C)NCC(=O)O B43496 [0,1,0,0,1,0|2,0,0]=4 127 B8R0.29 CC(C)(C)OCC(=O)O B41556 [0,1,0,0,1,0|2,0,0]=4 128 B10R0.3 CC(C)=CCC[C@H](C)CCO D53336 [0,2,0,0,0,0|2,0,0]=4 129 B10R0.44 COC(=O)CC(=O)CC(C)C M47097 [0,2,0,0,0,0|1,0,1]=4 130 B8R1.1 C=C[C@@H]1COC(=O)C1 V64256 [1,0,0,1,0,0|0,0,2]=4 131 B8R1.1 C=C[C@@H]1COC(=O)C1 V64417 [1,0,0,1,0,0|0,0,2]=4 132 B8R1.1 NC[C@@H]1CNC(=O)C1 A15732 [1,0,0,1,0,0|2,0,0]=4 133 B8R1.1 NC[C@@H]1CNC(=O)C1 A27672 [1,0,0,1,0,0|2,0,0]=4 134 B8R1.1 NC[C@@H]1CNC(=O)C1 A7263 [1,0,0,1,0,0|2,0,0]=4 135 B8R1.1 NC[C@H]1CNC(=O)C1 A18478 [1,0,0,1,0,0|2,0,0]=4 136 B8R1.1 NC[C@H]1CNC(=O)C1 A27671 [1,0,0,1,0,0|2,0,0]=4 137 B8R1.1 NC[C@H]1COC(=O)N1 A13336 [1,0,0,1,0,0|2,0,0]=4 138 B8R1.1 O=C1C[C@H](CO)CN1 H14660 [1,0,0,1,0,0|2,0,0]=4 139 B8R1.1 O=C1N[C@@H](CI)CO1 K40211 [1,0,0,1,0,0|2,0,0]=4 140 B8R1.1 O=C1N[C@@H](CO)CO1 H62331 [1,0,0,1,0,0|2,0,0]=4 141 B8R1.4 CC1CC(N)CCO1 M26284 [1,0,0,1,0,0|1,0,1]=4 142 B8R1.4 CC1CC(O)CCO1 M14345 [1,0,0,1,0,0|1,0,1]=4 143 B8R1.4 CN1CCCC(=O)C1 M13651 [1,0,0,1,0,0|2,0,0]=4 144 B8R1.4 CN1CCNC(=O)C1 M6975 [1,0,0,1,0,0|2,0,0]=4 145 B8R1.4 CN1CCOC(=O)C1 M41260 [1,0,0,1,0,0|1,0,0]=3 146 B8R1.4 C[C@@H]1CC(=O)CCN1 M10735 [1,0,0,1,0,0|2,0,0]=4 147 B8R1.4 C[C@@H]1CC(=O)CCO1 M11329 [1,0,0,1,0,0|2,0,0]=4 148 B8R1.4 C[C@H]1CC(=O)CCN1 M10734 [1,0,0,1,0,0|2,0,0]=4 149 B8R1.4 C[C@H]1CC(=O)CCN1 M19737 [1,0,0,1,0,0|2,0,0]=4 150 B8R1.4 C[C@H]1CC(=O)CCN1 M8156 [1,0,0,1,0,0|2,0,0]=4 151 B8R1.4 C[C@H]1CC(=O)CCO1 M11328 [1,0,0,1,0,0|2,0,0]=4 152 B8R1.4 C[C@H]1CC(=O)CCO1 M14197 [1,0,0,1,0,0|2,0,0]=4 153 B8R1.4 C[C@H]1CCCC(=O)N1 M23832 [1,0,0,1,0,0|2,0,0]=4 154 B8R1.4 C[C@H]1CCNC(=O)C1 M23793 [1,0,0,1,0,0|1,0,0]=3 155 B8R1.4 N[C@H]1CCNC(=O)C1 A0054 [1,0,0,1,0,0|2,0,0]=4 156 B8R1.4 N[C@H]1CCNC(=O)C1 A37105 [1,0,0,1,0,0|2,0,0]=4 157 B8R1.4 O=C1C[C@@H](O)CCN1 H38902 [1,0,0,1,0,0|2,0,0]=4 158 B8R1.4 O=C1C[C@@H](O)CCN1 H41262 [1,0,0,1,0,0|2,0,0]=4 159 B8R1.6 CCOC1CC(N)C1 E15188 [1,0,0,1,0,0|1,0,1]=4 160 B8R1.6 CCO[C@H]1C[C@@H](N)C1 E19476 [1,0,0,1,0,0|1,0,1]=4 161 B8R1.6 CCO[C@H]1C[C@H](N)C1 E15190 [1,0,0,1,0,0|1,0,1]=4 162 B8R1.7 CC(=O)C1CCCC1 C69351 [1,0,0,1,0,0|1,0,0]=3 163 B8R1.7 O=C(O)C1CCCC1 C23144 [1,0,0,1,0,0|2,0,0]=4 164 B8R1.19 CC1(C)CCNC1=O D13691 [1,0,0,1,0,0|1,0,0]=3 165 B8R1.22 O=C1C=CCCCC1 C67890 [1,0,0,1,0,0|1,0,1]=4 166 B8R1.22 O=C1CCCNCC1 H12307 [1,0,0,1,0,0|2,0,0]=4 167 B8R1.22 O=C1CCOCCN1 X16165 [1,0,0,1,0,0|2,0,0]=4 168 B8R1.22 O=C1CCSCCN1 T6235 [1,0,0,1,0,0|2,0,0]=4 169 B8R1.22 O=C1CNCCCN1 D38834 [1,0,0,1,0,0|2,0,0]=4 170 B8R1.34 CC(=O)NC1CNC1 A1331 [1,0,0,1,0,0|2,0,0]=4 171 B8R1.34 CC(=O)OC1CNC1 A41259 [1,0,0,1,0,0|1,0,0]=3 172 B8R1.34 CC(=O)OC1CNC1 A43595 [1,0,0,1,0,0|1,0,0]=3 173 B8R1.34 CC(=O)SC1CNC1 T12525 [1,0,0,1,0,0|1,1,0]=4 174 B8R1.34 O=C(O)CC1CCC1 C24745 [1,0,0,1,0,0|2,0,0]=4 175 B8R1.72 CC1(C)CCNCC1 D0628 [1,0,0,1,0,0|1,0,1]=4 176 B8R1.72 CC1(N)CCOCC1 M10391 [1,0,0,1,0,0|1,0,1]=4 177 B8R1.72 CC1(O)CCOCC1 M25219 [1,0,0,1,0,0|1,0,1]=4 178 B8R1.72 O=S1(=O)CCCCO1 B69155 [1,0,0,1,0,0|2,0,0]=4 179 B8R1.3 CC1CCC(=O)CC1 M39288 [0,0,0,1,1,0|0,0,0]=2 180 B8R1.3 CC1CCC(O)CC1 M61965 [0,0,0,1,1,0|0,0,2]=4 181 B8R1.3 CN1CCC(=O)CC1 M28326 [0,0,0,1,1,0|1,0,0]=3 182 B8R1.3 C[C@@H]1CNC(=O)CN1 M29571 [0,0,0,1,1,0|2,0,0]=4 183 B8R1.3 C[C@H]1CCC(=O)NC1 P23074 [0,0,0,1,1,0|1,0,0]=3 184 B8R1.3 C[C@H]1CC[C@@H](N)CC1 M46505 [0,0,0,1,1,0|1,0,1]=4 185 B8R1.3 C[C@H]1CC[C@H](N)CC1 M46506 [0,0,0,1,1,0|1,0,1]=4 186 B8R1.3 C[C@H]1CC[C@H](N)CC1 M68368 [0,0,0,1,1,0|1,0,1]=4 187 B8R1.3 C[C@H]1CNC(=O)CN1 M17917 [0,0,0,1,1,0|2,0,0]=4 188 B8R1.3 NC1CCC(=O)CC1 A38581 [0,0,0,1,1,0|1,0,0]=3 189 B8R1.3 N[C@H]1CCC(=O)NC1 A0587 [0,0,0,1,1,0|2,0,0]=4 190 B8R1.3 O=C1CCC(O)CC1 H18838 [0,0,0,1,1,0|1,0,0]=3 191 B8R1.3 O=C1CC[C@H](O)CN1 H22093 [0,0,0,1,1,0|2,0,0]=4 192 B8R1.23 CC(=O)C1CC(O)C1 H22946 [0,0,0,1,1,0|1,0,0]=3 193 B8R1.23 CC(=O)N1CC(N)C1 A11253 [0,0,0,1,1,0|2,0,0]=4 194 B8R1.23 CC(=O)N1CC(O)C1 A15322 [0,0,0,1,1,0|2,0,0]=4 195 B8R1.23 CC1CC(C(=O)O)C1 M14949 [0,0,0,1,1,0|1,0,0]=3 196 B8R1.23 CN1CC(C(=O)O)C1 M0190 [0,0,0,1,1,0|2,0,0]=4 197 B8R1.23 C[C@H]1C[C@@H](C(=O)O)C1 M10526 [0,0,0,1,1,0|1,0,0]=3 198 B8R1.23 C[C@H]1C[C@H](C(=O)O)C1 M10527 [0,0,0,1,1,0|1,0,0]=3 199 B8R1.23 NC1CC(C(=O)O)C1 A12181 [0,0,0,1,1,0|2,0,0]=4 200 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 A0232 [0,0,0,1,1,0|2,0,0]=4 201 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 SB7470 [0,0,0,1,1,0|2,0,0]=4 202 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 A0233 [0,0,0,1,1,0|2,0,0]=4 203 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 SB7471 [0,0,0,1,1,0|2,0,0]=4 204 B8R1.23 O=C(O)C1CC(Cl)C1 C15268 [0,0,0,1,1,0|2,0,0]=4 205 B8R1.23 O=C(O)C1CC(F)C1 F0317 [0,0,0,1,1,0|2,0,0]=4 206 B8R1.23 O=C(O)C1CC(O)C1 H12369 [0,0,0,1,1,0|2,0,0]=4 207 B8R1.23 O=C(O)[C@H]1C[C@@H](F)C1 F59936 [0,0,0,1,1,0|2,0,0]=4 208 B8R1.23 O=C(O)[C@H]1C[C@@H](O)C1 H11727 [0,0,0,1,1,0|2,0,0]=4 209 B8R1.23 O=C(O)[C@H]1C[C@H](Cl)C1 C29816 [0,0,0,1,1,0|2,0,0]=4 210 B8R1.23 O=C(O)[C@H]1C[C@H](F)C1 F60295 [0,0,0,1,1,0|2,0,0]=4 211 B8R1.23 O=C(O)[C@H]1C[C@H](O)C1 H14950 [0,0,0,1,1,0|2,0,0]=4 212 B8R1.51 CC1(C)CCC(=O)N1 D38848 [0,0,0,1,1,0|1,0,0]=3 213 B8R1.51 CC1(C)CCC(=O)O1 D41465 [0,0,0,1,1,0|1,0,0]=3 214 B8R1.51 CC1(C)CNC(=O)C1 D6966 [0,0,0,1,1,0|1,0,0]=3 215 B8R1.51 CC1(C)COC(=O)N1 D0615 [0,0,0,1,1,0|1,0,0]=3 216 B8R1.77 CC1(C)C[C@@H]1C(=O)O D19962 [0,0,0,1,1,0|1,0,0]=3 217 B8R1.77 CC1(C)C[C@@H]1C(=O)O D25255 [0,0,0,1,1,0|1,0,0]=3 218 B8R1.77 CC1(C)C[C@@H]1C(N)=O D68613 [0,0,0,1,1,0|1,0,0]=3 219 B10R1.54 CC(=O)O[C@H]1C=C[C@@H](O)C1 A13068 [0,0,0,1,0,1|1,0,1]=4 220 B10R1.113 CC(=O)N1CCN[C@@H](C)C1 M46501 [0,0,0,1,0,1|1,0,0]=3 221 B10R1.113 C[C@@H]1CCN[C@@H](C(=O)O)C1 M25194 [0,0,0,1,0,1|2,0,0]=4 222 B10R1.113 C[C@@H]1CNC[C@H](C(=O)O)C1 M59674 [0,0,0,1,0,1|2,0,0]=4 223 B10R1.113 C[C@H]1CNC[C@@H](C(=O)O)C1 M59675 [0,0,0,1,0,1|2,0,0]=4 224 B10R1.113 C[C@H]1CNC[C@H](C(=O)O)C1 M59698 [0,0,0,1,0,1|2,0,0]=4 225 B10R1.128 CC1(C)CNC[C@@H]1C(=O)O D46493 [0,0,0,1,0,1|2,0,0]=4 226 B10R1.361 CC(C)N1CC[C@H]1C(=O)O I29786 [0,0,0,1,0,1|2,0,0]=4 227 B10R1.13 CC(=O)C1CCN(C)CC1 A61485 [0,1,0,1,0,0|2,0,0]=4 228 B10R1.13 CC(=O)N1CCC(Cl)CC1 C38339 [0,1,0,1,0,0|2,0,0]=4 229 B10R1.13 CC(=O)N1CCC(N)CC1 A12231 [0,1,0,1,0,0|2,0,0]=4 230 B10R1.13 CC(=O)N1CCC(N)CC1 A12232 [0,1,0,1,0,0|2,0,0]=4 231 B10R1.13 CC(=O)N1CCC(O)CC1 H7831 [0,1,0,1,0,0|2,0,0]=4 232 B10R1.13 CC(=O)N1CCN(C)CC1 M43876 [0,1,0,1,0,0|2,0,0]=4 233 B10R1.13 CC(C)C1CCC(=O)CC1 P50501 [0,1,0,1,0,0|1,0,0]=3 234 B10R1.13 CC(C)N1CCC(=O)CC1 P47115 [0,1,0,1,0,0|2,0,0]=4 235 B10R1.13 CC1CCC(C(=O)O)CC1 M47086 [0,1,0,1,0,0|2,0,0]=4 236 B10R1.13 CN(C)C1CCC(=O)CC1 D23555 [0,1,0,1,0,0|2,0,0]=4 237 B10R1.13 C[C@H]1CC[C@H](C(=O)O)CC1 M47088 [0,1,0,1,0,0|2,0,0]=4 238 B10R1.14 COC(=O)C1CCC(Br)C1 M59847 [0,1,0,1,0,0|2,0,0]=4 239 B10R1.14 COC(=O)C1CCC(N)C1 C13729 [0,1,0,1,0,0|2,0,0]=4 240 B10R1.14 COC(=O)[C@@H]1CC[C@@H](N)C1 M14936 [0,1,0,1,0,0|2,0,0]=4 241 B10R1.14 COC(=O)[C@@H]1CC[C@@H](O)C1 M25442 [0,1,0,1,0,0|2,0,0]=4 242 B10R1.14 COC(=O)[C@@H]1CC[C@H](N)C1 M14934 [0,1,0,1,0,0|2,0,0]=4 243 B10R1.14 COC(=O)[C@@H]1CC[C@H](O)C1 M60218 [0,1,0,1,0,0|2,0,0]=4 244 B10R1.14 COC(=O)[C@H]1CC[C@@H](N)C1 M14935 [0,1,0,1,0,0|2,0,0]=4 245 B10R1.14 COC(=O)[C@H]1CC[C@@H](O)C1 M15680 [0,1,0,1,0,0|2,0,0]=4 246 B10R1.14 COC(=O)[C@H]1CC[C@H](N)C1 M14937 [0,1,0,1,0,0|2,0,0]=4 247 B10R1.153 COC(=O)CCNC1CC1 M43848 [0,1,0,1,0,0|2,0,0]=4 248 B10R1.194 C[C@@H]1CC[C@@H](C(=O)O)N1C D30134 [0,1,0,1,0,0|2,0,0]=4 249 B10R1.194 C[C@H]1CC[C@@H](C(=O)O)N1C D30133 [0,1,0,1,0,0|2,0,0]=4 250 B10R1.83 CC1(C)C(N)CC1C(=O)O A15243 [0,1,0,1,0,0|2,0,0]=4 251 B10R1.83 CC1(C)[C@@H](C(=O)O)C[C@H]1N A60251 [0,1,0,1,0,0|2,0,0]=4 252 B10R1.83 CC1(C)[C@@H](N)C[C@@H]1C(=O)O A15244 [0,1,0,1,0,0|2,0,0]=4 253 B10R1.83 CC1(C)[C@@H](N)C[C@H]1C(=O)O A6050 [0,1,0,1,0,0|2,0,0]=4 254 B10R1.329 CC1(C)CC(=O)C=C(Cl)C1 C60664 [0,1,0,1,0,0|1,0,1]=4 255 B10R1.329 CC1(C)CC(=O)NC(=O)C1 D16646 [0,1,0,1,0,0|1,0,1]=4 256 B10R1.329 CC1=CC(=O)CC(C)(C)C1 T60774 [0,1,0,1,0,0|1,0,1]=4 257 B10R1.371 CC(=O)SC1CC(F)(F)C1 D7007 [0,1,0,1,0,0|1,1,0]=4 258 B10R2.14 O=C1C[C@H](C2CC2)CN1 C9768 [0,0,0,2,0,0|1,0,0]=3 259 B10R2.178 O=C1CCC2CCC1N2 A14807 [0,0,0,2,0,0|2,0,0]=4 260 B10R2.178 O=C1CCC2CCC1N2 A60094 [0,0,0,2,0,0|2,0,0]=4 261 B10R2.178 O=C1NCC2CCC1C2 A43770 [0,0,0,2,0,0|2,0,0]=4 262 B10R2.357 O=C(O)C1CC2CC2C1 B11090 [0,0,0,2,0,0|2,0,0]=4 263 B10R2.365 O=C(O)CC12CC(C1)C2 B60087 [0,0,0,2,0,0|2,0,0]=4 264 B10R2.534 O=C1CCCC2(CC2)C1 S60470 [0,0,0,2,0,0|1,0,0]=3 265 B10R2.534 O=C1CCCC2(CC2)N1 A43767 [0,0,0,2,0,0|2,0,0]=4 266 B10R2.358 O=C(O)[C@H]1CCC12CC2 S59639 [0,0,0,2,0,0|2,0,0]=4 267 B10R2.633 O=C(O)C1CC1C2CC2 C26303 [0,0,0,2,0,0|2,0,0]=4 268 B6R0.2 CC(=O)NC(C)C P40402 [0,0,0,0,2,0|1,0,0]=3 269 B6R0.2 CC(=O)O[C@H](C)Br B40231 [0,0,0,0,2,0|1,0,0]=3 270 B6R0.2 CC(C)C[C@H](C)N M43511 [0,0,0,0,2,0|1,0,1]=4 271 B6R0.2 CN(C)CC(=O)Cl D40251 [0,0,0,0,2,0|2,0,0]=4 272 B6R0.2 C[C@@H](N)CC(=O)O A37837 [0,0,0,0,2,0|2,0,0]=4 273 B6R0.2 C[C@@H](N)CC(=O)O A40348 [0,0,0,0,2,0|2,0,0]=4 274 B6R0.2 C[C@@H](O)CC(=O)[O-] S37350 [0,0,0,0,2,0|2,0,0]=4 275 B6R0.2 C[C@H](N)CC(=O)O A40265 [0,0,0,0,2,0|2,0,0]=4 276 B6R0.2 C[C@H](O)CC(=O)O H38871 [0,0,0,0,2,0|2,0,0]=4 277 B6R0.2 C[C@H](O)CC(=O)[O-] S40298 [0,0,0,0,2,0|2,0,0]=4