0 B9R0.35 CCCC(=O)C(O)CCC S705500 [0,0,0,0,0,0|2,0,0]=2 1 B9R0.35 CCCC(O)C(O)CCC PH008194 [0,0,0,0,0,0|2,0,2]=4 2 B9R0.35 CCC[C@H](N)C(=O)OCC CDS021016 [0,0,0,0,0,0|1,0,0]=1 3 B9R0.35 CCNC(=O)C(=O)NCC L158526 [0,0,0,0,0,0|3,0,1]=4 4 B9R0.35 CCOC(=O)C(C)N=C=O PH010972 [0,0,0,0,0,0|2,0,1]=3 5 B8R0.1 C=CCNC(=O)OCC S361445 [1,0,0,0,0,0|1,0,2]=4 6 B8R0.1 CC=CC(=O)NCCC T173770 [1,0,0,0,0,0|2,0,1]=4 7 B8R0.1 CCCCC(=O)CCC S456489 [1,0,0,0,0,0|1,0,0]=2 8 B8R0.1 CCCNC(=O)NCC S805858 [1,0,0,0,0,0|2,0,0]=3 9 B8R0.1 CCCNC(=O)OCC S361909 [1,0,0,0,0,0|1,0,0]=2 10 B8R0.1 CCOC(=O)CCC#N PH003642 [1,0,0,0,0,0|1,0,1]=3 11 B8R0.1 CCOC(=O)CCOC CDS025273 [1,0,0,0,0,0|1,0,0]=2 12 B8R0.1 CCOC(=O)CSC#N PH001910 [1,0,0,0,0,0|2,0,1]=4 13 B8R0.1 CCOC(=O)NCCO S391980 [1,0,0,0,0,0|2,0,0]=3 14 B8R0.3 C#CC(O)C(=O)OCC CDS000110 [1,0,0,0,0,0|1,0,2]=4 15 B8R0.3 C(=C(\C)/C(=O)OC)\CCl T297852 [1,0,0,0,0,0|1,0,2]=4 16 B8R0.3 CCCC(=O)C(Br)CC PH011136 [1,0,0,0,0,0|2,0,0]=3 17 B8R0.3 CCCC(O)C(=O)CC PH008572 [1,0,0,0,0,0|1,0,0]=2 18 B8R0.3 CCCC(O)C(C)CC S412430 [1,0,0,0,0,0|1,0,2]=4 19 B8R0.3 CCC[C@H](N)C(=O)OC CDS003875 [1,0,0,0,0,0|1,0,0]=2 20 B8R0.3 CCN(C)C(C)CCN CBR01373 [1,0,0,0,0,0|3,0,0]=4 21 B8R0.3 CCOC(=O)/C(=N/O)/C S942979 [1,0,0,0,0,0|2,0,1]=4 22 B8R0.3 CCOC(=O)C(Cl)CC S918407 [1,0,0,0,0,0|1,0,0]=2 23 B8R0.3 CCOC(=O)C(F)CC S431370 [1,0,0,0,0,0|1,0,0]=2 24 B8R0.3 CCOC(=O)[C@H](N)CO PH015186 [1,0,0,0,0,0|2,0,0]=3 25 B8R0.3 COC(=O)[C@H](C)N=C=S PH015177 [1,0,0,0,0,0|2,0,1]=4 26 B10R0.32 CCOC(=O)C(N)CC(C)C S846015 [0,1,0,0,0,0|1,0,0]=2 27 B10R0.32 CCOC(=O)C(O)CC(C)C CDS000270 [0,1,0,0,0,0|1,0,0]=2 28 B10R0.32 CCOC(=O)N(C)CC(=O)O PH000513 [0,1,0,0,0,0|2,0,1]=4 29 B10R0.32 [C@H](N)(CC(C)C)C(=O)OCC S598895 [0,1,0,0,0,0|1,0,0]=2 30 B10R0.33 CC/C=C(\C#N)/C(=O)OCC S661201 [0,1,0,0,0,0|0,0,3]=4 31 B10R0.33 CCCC(CN)C(=O)OCC PH015720 [0,1,0,0,0,0|0,0,0]=1 32 B10R0.33 CCOC(=O)C(CC)SC#N S521833 [0,1,0,0,0,0|2,0,1]=4 33 B10R0.33 CCOC(=O)C(COC)OC PH007488 [0,1,0,0,0,0|1,0,0]=2 34 B10R0.35 CCCC(C)C(=O)C(C)CC S504696 [0,1,0,0,0,0|1,0,0]=2 35 B10R0.35 CCCC(C)C(O)C(C)CC S505005 [0,1,0,0,0,0|1,0,2]=4 36 B10R0.35 CCOC(=O)C(C)C(=O)NC S880949 [0,1,0,0,0,0|1,0,1]=3 37 B10R0.35 CCOC(=O)[C@H](N)[C@@H](C)CC CDS021429 [0,1,0,0,0,0|1,0,0]=2 38 B10R1.2 CC1CCC/C(=C\O)/C1=O T219460 [0,0,0,1,0,0|2,0,1]=4 39 B10R1.2 CCC1NCCN(C1=O)C CDS011887 [0,0,0,1,0,0|3,0,0]=4 40 B10R1.2 CCN1CCNC(C1=O)C CBR00710 [0,0,0,1,0,0|2,0,0]=3 41 B10R1.4 CCCC1CCCCC1O S365769 [0,0,0,1,0,0|1,0,2]=4 42 B10R1.4 N#CCC1CCCCC1=O PH008486 [0,0,0,1,0,0|2,0,1]=4 43 B10R1.4 NCCN1CCCCC1=O CBR02341 [0,0,0,1,0,0|3,0,0]=4 44 B10R1.4 NCCN1CCCOC1=O CBR00826 [0,0,0,1,0,0|2,0,0]=3 45 B10R1.4 O=C1NCCNC1CCO CBR00279 [0,0,0,1,0,0|3,0,0]=4 46 B10R1.7 C=C1CCCCCCC1O T181676 [0,0,0,1,0,0|3,0,0]=4 47 B10R1.7 C=C1CCCCCCC1O T232742 [0,0,0,1,0,0|3,0,0]=4 48 B10R1.7 CC1CCCCCCC1=O S53075 [0,0,0,1,0,0|1,0,0]=2 49 B10R1.11 CCOC(=O)C1=CCCC1 S942871 [0,0,0,1,0,0|0,0,2]=3 50 B10R1.118 CC1CC(C(=CC1=O)O)C R179612 [0,0,0,1,0,0|2,0,1]=4 51 B10R1.118 CC1CC(C(=O)OC1=O)C S494208 [0,0,0,1,0,0|1,0,1]=3 52 B10R1.118 CC1NC(=O)C(=O)OC1C S756261 [0,0,0,1,0,0|2,0,1]=4 53 B10R1.118 C[C@H]1C[C@@H](C(=O)CC1=O)C T257206 [0,0,0,1,0,0|2,0,1]=4 54 B10R1.118 C[C@H]1C[C@H](C(=O)CC1=O)C T257192 [0,0,0,1,0,0|2,0,1]=4 55 B10R1.118 C[C@H]1C[C@H](C(=O)CC1=O)C T269158 [0,0,0,1,0,0|2,0,1]=4 56 B10R1.130 CCCN1CC(CC1=O)N CBR00820 [0,0,0,1,0,0|3,0,0]=4 57 B10R1.140 CCOC(=O)C1CC(=O)C1 T160598 [0,0,0,1,0,0|1,0,1]=3 58 B10R1.277 CC1CCCC(=O)CC1=O T271306 [0,0,0,1,0,0|2,0,1]=4 59 B10R0.2 CCCC(N)CC(=O)OCC CBR01547 [0,0,0,0,0,1|1,0,0]=2 60 B10R0.2 CCN/C(=C/C(=O)OCC)/C S541214 [0,0,0,0,0,1|1,0,1]=3 61 B10R0.2 CCOC(=O)CC(=S)OCC S664936 [0,0,0,0,0,1|2,0,1]=4 62 B10R0.2 CCOC(=O)CC(O)COC S877271 [0,0,0,0,0,1|2,0,0]=3 63 B10R0.2 CCOC(=O)NC(=O)OCC PH006851 [0,0,0,0,0,1|2,0,1]=4 64 B10R0.2 CCOC(=O)[CH-]C(=O)OCC S602574 [0,0,0,0,0,1|2,0,1]=4 65 B10R0.2 CNCC(=O)NC(C)COC PH014808 [0,0,0,0,0,1|3,0,0]=4 66 B7R0.1 CCCCSCCC S367192 [2,0,0,0,0,0|2,0,0]=4 67 B7R0.3 C=C(CC)CCCC CDS000215 [2,0,0,0,0,0|1,0,0]=3 68 B7R0.3 CCC#CC(=O)OC T242845 [2,0,0,0,0,0|0,0,2]=4 69 B7R0.3 CCCCC(N)CC CDS021471 [2,0,0,0,0,0|1,0,1]=4 70 B7R0.3 CCCNC(=O)CCl OTV000047 [2,0,0,0,0,0|2,0,0]=4 71 B7R0.3 CCCOC(=O)CBr PH011324 [2,0,0,0,0,0|2,0,0]=4 72 B7R0.3 CCCOC(=O)CCl S431443 [2,0,0,0,0,0|2,0,0]=4 73 B7R0.3 CCCOC(=O)CN PH019063 [2,0,0,0,0,0|2,0,0]=4 74 B7R0.3 CCCSC(C)CC S570672 [2,0,0,0,0,0|2,0,0]=4 75 B7R0.3 CCOCC(=O)OC EME00071 [2,0,0,0,0,0|1,0,0]=3 76 B7R0.3 CCSCS(=O)CC S697834 [2,0,0,0,0,0|2,0,0]=4 77 B7R0.3 CNCCC(=O)NC CBR01261 [2,0,0,0,0,0|2,0,0]=4 78 B7R0.3 COC(=O)CCC#N S369640 [2,0,0,0,0,0|1,0,1]=4 79 B7R0.7 C/C=C/C(O)CCC S417386 [2,0,0,0,0,0|1,0,1]=4 80 B7R0.7 CCCC(Cl)CCC S563323 [2,0,0,0,0,0|1,0,1]=4 81 B7R0.7 CCCS(=O)CCC S440973 [2,0,0,0,0,0|2,0,0]=4 82 B7R0.7 CCOC(=O)CCI T255378 [2,0,0,0,0,0|1,0,0]=3 83 B7R0.7 CCOC(=O)CNC PH000310 [2,0,0,0,0,0|1,0,0]=3 84 B7R0.7 CCOC(=O)CNN CDS009912 [2,0,0,0,0,0|2,0,0]=4 85 B7R0.7 CCOC(=O)NNC PH007943 [2,0,0,0,0,0|2,0,0]=4 86 B7R0.7 CCOC(=O)NOC PH005154 [2,0,0,0,0,0|2,0,0]=4 87 B7R0.7 CCOC(C)CCO S322008 [2,0,0,0,0,0|1,0,0]=3 88 B7R0.7 CCOC(C)CNC CBR01487 [2,0,0,0,0,0|1,0,0]=3 89 B7R0.7 CCSC(=O)SCC S189634 [2,0,0,0,0,0|1,1,0]=4 90 B7R0.5 C=C(CCC)C(C)C R289221 [2,0,0,0,0,0|2,0,0]=4 91 B7R0.5 CC(=O)C(Cl)CCO S561894 [2,0,0,0,0,0|2,0,0]=4 92 B7R0.5 CC(=O)N(C)CCN PH019599 [2,0,0,0,0,0|2,0,0]=4 93 B7R0.5 CC(=O)N(C)CCO CBR01454 [2,0,0,0,0,0|2,0,0]=4 94 B7R0.5 CC/C=C(\C)/C(C)C R289558 [2,0,0,0,0,0|2,0,0]=4 95 B7R0.5 CCCC(=C(C)C)C R289469 [2,0,0,0,0,0|1,0,1]=4 96 B7R0.5 CCCC(C)C(C)O S433373 [2,0,0,0,0,0|0,0,2]=4 97 B7R0.5 CCN[C@@H](C)C(=O)N CDS021310 [2,0,0,0,0,0|2,0,0]=4 98 B7R0.5 CCOC(=O)C(Br)Br PH011431 [2,0,0,0,0,0|2,0,0]=4 99 B7R0.5 CCOC(=O)C(C)N CDS015013 [2,0,0,0,0,0|1,0,0]=3 100 B7R0.5 CCOC(=O)N(C)C PH001938 [2,0,0,0,0,0|1,0,0]=3 101 B7R0.5 CCOC(=O)N(C)N PH007944 [2,0,0,0,0,0|2,0,0]=4 102 B7R0.5 CCOC(C)C(=O)O CBR01494 [2,0,0,0,0,0|1,0,0]=3 103 B7R0.5 CCSC(C)C(=O)O CBR01403 [2,0,0,0,0,0|1,0,0]=3 104 B7R0.5 CNCC(C)C(=O)O CBR01429 [2,0,0,0,0,0|1,0,0]=3 105 B7R0.5 COCC(=O)C(C)C CDS024045 [2,0,0,0,0,0|2,0,0]=4 106 B7R0.5 CSC[C@@H](C)C(=O)O PH009560 [2,0,0,0,0,0|1,0,0]=3 107 B7R0.5 NCCC(N)C(=O)O PH018181 [2,0,0,0,0,0|2,0,0]=4 108 B7R0.10 C/C=C(\C)/C(=O)OC CDS001207 [2,0,0,0,0,0|0,0,2]=4 109 B7R0.10 CCC(=O)C(O)CC CDS000463 [2,0,0,0,0,0|1,0,0]=3 110 B7R0.10 CNC(C)C(=O)OC CBR01417 [2,0,0,0,0,0|1,0,0]=3 111 B7R0.10 CN[C@@H](C)C(=O)OC CDS015644 [2,0,0,0,0,0|1,0,0]=3 112 B7R0.10 COC(=O)[C@H](N)CS PH013124 [2,0,0,0,0,0|2,0,0]=4 113 B9R0.4 CCCCC(=O)CC(=O)C CDS001230 [1,1,0,0,0,0|1,0,1]=4 114 B9R0.4 CCCCC(=O)CC(=O)C S839590 [1,1,0,0,0,0|1,0,1]=4 115 B9R0.5 CCCCCC(=O)CCC S411825 [1,1,0,0,0,0|1,0,0]=3 116 B9R0.5 CCCCCC(C)CCC S431648 [1,1,0,0,0,0|1,0,1]=4 117 B9R0.5 CCCCNC(=O)CCC EME00389 [1,1,0,0,0,0|1,0,0]=3 118 B9R0.5 CCCCNC(=O)CNC CBR01986 [1,1,0,0,0,0|2,0,0]=4 119 B9R0.5 CCCCNC(=O)NCC S802077 [1,1,0,0,0,0|1,0,0]=3 120 B9R0.5 CCCCNC(=O)OCC S406988 [1,1,0,0,0,0|0,0,0]=2 121 B9R0.5 CCCCOC(C)OCC S240214 [1,1,0,0,0,0|1,0,1]=4 122 B9R0.5 CCNC(=O)NCCCO S804738 [1,1,0,0,0,0|2,0,0]=4 123 B9R0.5 CCNC(=O)NCCOC S804746 [1,1,0,0,0,0|2,0,0]=4 124 B9R0.5 CCOC(=O)CCCCI S677175 [1,1,0,0,0,0|0,0,0]=2 125 B9R0.5 CCOC(=O)CCCCN CDS023812 [1,1,0,0,0,0|0,0,0]=2 126 B9R0.5 CCOC(=O)CCN=C=S CDS000897 [1,1,0,0,0,0|1,0,1]=4 127 B9R0.5 CCOC(=O)NCCCBr PH001320 [1,1,0,0,0,0|1,0,0]=3 128 B9R0.5 [C-]#[N+]CCCC(=O)OCC PH015035 [1,1,0,0,0,0|0,0,1]=3 129 B9R0.8 CCCCC(=O)C(C)CC S431486 [1,1,0,0,0,0|1,0,0]=3 130 B9R0.8 CCCOC(=O)C(C)CC CDS000542 [1,1,0,0,0,0|2,0,0]=4 131 B9R0.18 CCOCC(O)COCC S433292 [1,1,0,0,0,0|1,0,1]=4 132 B9R0.18 O=C(CCCO)NCCO PH008175 [1,1,0,0,0,0|2,0,0]=4 133 B9R0.18 O=C(NCCCl)OCCCl R416347 [1,1,0,0,0,0|2,0,0]=4 134 B9R0.18 [NH2+](CC)CC(=O)OCC=C R240648 [1,1,0,0,0,0|1,0,1]=4 135 B9R0.34 C#C[C@@H](N)CC(=O)OCC PH016355 [1,1,0,0,0,0|0,0,2]=4 136 B9R0.48 C=C(C)CNC(=O)OCC S36022 [1,1,0,0,0,0|1,0,1]=4 137 B9R0.48 C=C(Cl)CCC(=O)OCC T277177 [1,1,0,0,0,0|0,0,2]=4 138 B9R0.6 CCCC(C)C(=O)C(C)C S433179 [1,1,0,0,0,0|0,0,0]=2 139 B9R0.6 CCOC(=O)C(Br)C(C)Br S361623 [1,1,0,0,0,0|1,0,0]=3 140 B9R0.6 CCOC(=O)C(Br)C(C)C CDS001494 [1,1,0,0,0,0|1,0,0]=3 141 B9R0.19 C=CC(C)(C)C(=O)OCC T214299 [1,1,0,0,0,0|0,0,2]=4 142 B9R0.19 CCCC(Cl)S(=O)(=O)CC T163775 [1,1,0,0,0,0|2,0,0]=4 143 B9R0.19 CCOC(=O)C(C)(Br)CBr S361631 [1,1,0,0,0,0|1,0,0]=3 144 B9R0.19 CCOC(=O)C(C)(C)C#N S762083 [1,1,0,0,0,0|1,0,1]=4 145 B9R0.19 CCOC(=O)C(C)(C)CN CDS009124 [1,1,0,0,0,0|1,0,0]=3 146 B9R0.23 CC(C)OC(=O)C(N)CO S949876 [1,1,0,0,0,0|2,0,0]=4 147 B9R0.23 COC(=O)[C@@H](N)CC(C)C PH010827 [1,1,0,0,0,0|1,0,0]=3 148 B9R0.23 [C@@H](C)(NC(=O)C)C(=O)OC S933279 [1,1,0,0,0,0|1,0,1]=4 149 B9R0.27 CCC(=O)C(C)C(=O)OC S84574 [1,1,0,0,0,0|0,0,1]=3 150 B9R0.27 CCC(C)C(N)C(=O)OC KOB0125 [1,1,0,0,0,0|1,0,0]=3 151 B9R0.37 CCCC(=O)C(CC)CC S504769 [1,1,0,0,0,0|1,0,0]=3 152 B9R0.37 CCOC(=O)/C(=N/O)/CC S837296 [1,1,0,0,0,0|1,0,1]=4 153 B9R0.37 CCOC(=O)C(CC)CN PH016204 [1,1,0,0,0,0|0,0,0]=2 154 B9R0.37 CCOC(=O)N(CC)OC PH008534 [1,1,0,0,0,0|1,0,0]=3 155 B9R0.60 C=CCC(C)(C)C(=O)CC S312657 [1,1,0,0,0,0|0,0,2]=4 156 B11R0.1 CCOC(=O)CC(N)CC(C)C CBR01344 [0,1,0,0,0,1|1,0,0]=3 157 B11R0.5 CCCCC(N)CC(=O)OCC CBR00803 [0,1,0,0,0,1|1,0,0]=3 158 B11R0.5 CCNCC(=O)NC(C)COC PH014804 [0,1,0,0,0,1|2,0,0]=4 159 B11R0.73 CCCCN(C)C(=O)C(Br)CC PH015204 [0,2,0,0,0,0|2,0,0]=4 160 B11R0.155 CCCCCC(=O)C(C)CCC S504874 [0,2,0,0,0,0|1,0,0]=3 161 B11R0.155 CCOC(=O)C(=O)NCCOC OTV000320 [0,2,0,0,0,0|1,0,1]=4 162 B11R0.191 CCCCC(CC)C(=O)NCC PH008307 [0,2,0,0,0,0|1,0,0]=3 163 B11R0.191 CCCCC(CN)C(=O)OCC PH015151 [0,2,0,0,0,0|0,0,0]=2 164 B11R0.240 CCOC(=O)C(C)(C)C[N+](=O)[O-] S918431 [0,2,0,0,0,0|2,0,0]=4 165 B11R0.53 CCOC(=O)C(C#N)C(C)CC S348163 [0,2,0,0,0,0|0,0,1]=3 166 B11R0.57 C=CCC(C(=O)C)C(=O)OCC S348058 [0,2,0,0,0,0|0,0,2]=4 167 B11R0.57 CCCC(C(=O)OCC)[N+](=O)[O-] S918458 [0,2,0,0,0,0|1,0,0]=3 168 B9R1.8 CCCC1COCCN1 CBR00294 [1,0,0,1,0,0|1,0,1]=4 169 B9R1.8 CCOC1CCCCO1 S359033 [1,0,0,1,0,0|0,0,2]=4 170 B9R1.8 NCCC1CCCOC1 CDS009278 [1,0,0,1,0,0|1,0,1]=4 171 B9R1.12 CCCCC1=NCCS1 PH008233 [1,0,0,1,0,0|1,1,0]=4 172 B9R1.12 CCCCC1OCCO1 T330108 [1,0,0,1,0,0|0,0,2]=4 173 B9R1.12 CCCNC1CCCC1 CBR00869 [1,0,0,1,0,0|2,0,0]=4 174 B9R1.22 CCC1CC(=O)NN1C PH013333 [1,0,0,1,0,0|2,0,0]=4 175 B9R1.27 N1CC(C(C1C)CC)C S511501 [1,0,0,1,0,0|1,0,1]=4 176 B9R1.33 C=CCC1CCOC1=O T230685 [1,0,0,1,0,0|0,0,2]=4 177 B9R1.33 NCCN1CCOC1=O CBR01024 [1,0,0,1,0,0|2,0,0]=4 178 B9R1.33 O=C1OCCN1CCO CDS013723 [1,0,0,1,0,0|2,0,0]=4 179 B9R1.49 C=C1CCCC(CC1)C T170666 [1,0,0,1,0,0|2,0,0]=4 180 B9R1.49 CN1CCNC(=O)CC1 T298867 [1,0,0,1,0,0|2,0,0]=4 181 B9R1.50 OC1CCCCCOC1 T168815 [1,0,0,1,0,0|1,0,1]=4 182 B9R1.90 CCC1NC(=O)C1CC T173827 [1,0,0,1,0,0|2,0,0]=4 183 B9R1.183 CCOC(=O)C1CC1C R425907 [1,0,0,1,0,0|0,0,0]=2 184 B9R1.183 CCOC(=O)C1OC1C S462349 [1,0,0,1,0,0|1,0,0]=3 185 B9R1.3 CC1=CCCC(C1=O)C T297577 [1,0,0,1,0,0|0,0,2]=4 186 B9R1.3 CC1CCCC(=O)C1C CDS023514 [1,0,0,1,0,0|1,0,0]=3 187 B9R1.3 CC1CCCC(C1N)C PH016106 [1,0,0,1,0,0|1,0,1]=4 188 B9R1.3 CC1NCCN(C1=O)C CBR01897 [1,0,0,1,0,0|2,0,0]=4 189 B9R1.3 CC1NCCN(C1=O)C CDS012281 [1,0,0,1,0,0|2,0,0]=4 190 B9R1.5 N[C@@H]1CCCCNC1=O CDS006947 [1,0,0,1,0,0|2,0,0]=4 191 B9R1.5 O=C1CCCCCC1=O PH003588 [1,0,0,1,0,0|1,0,1]=4 192 B9R1.11 CCC(=O)C1=CCCC1 T246662 [1,0,0,1,0,0|0,0,2]=4 193 B9R1.11 CCC(=O)C1CCOC1 CDS024301 [1,0,0,1,0,0|1,0,0]=3 194 B9R1.11 CNC(=O)C1CCCN1 CDS023077 [1,0,0,1,0,0|2,0,0]=4 195 B9R1.11 COC(=O)C1CCCN1 CDS003215 [1,0,0,1,0,0|1,0,0]=3 196 B9R1.11 COC(=O)C1CCCN1 CDS004943 [1,0,0,1,0,0|1,0,0]=3 197 B9R1.11 COC(=O)[C@@H]1CCOC1 PHB00042 [1,0,0,1,0,0|1,0,0]=3 198 B9R1.11 NNC(=O)C1CCCC1 CDS005918 [1,0,0,1,0,0|2,0,0]=4 199 B9R1.11 O=C(CCl)N1CCCC1 OTV000117 [1,0,0,1,0,0|2,0,0]=4 200 B9R1.74 CCOC(=O)C1(CC1)C PH015344 [1,0,0,1,0,0|0,0,0]=2 201 B9R1.74 CCOC(=O)C1(CC1)N MNO000004 [1,0,0,1,0,0|1,0,0]=3 202 B9R1.186 COC(=O)C1(CCC1)N CDS020914 [1,0,0,1,0,0|1,0,0]=3 203 B9R1.202 C[C@@]1(CCCC1=O)CO T218286 [1,0,0,1,0,0|2,0,0]=4 204 B11R1.30 CCOC(=O)CC1CCCC1 S433101 [0,0,0,1,0,1|0,0,0]=2 205 B11R1.30 CNCC(=O)NC1CCCC1 PH017395 [0,0,0,1,0,1|2,0,0]=4 206 B11R1.187 CCN1CC(CC1=O)CNC CBR01511 [0,0,0,1,0,1|2,0,0]=4 207 B11R1.15 CCCC(=O)N1CCC(C1)N PH015378 [0,1,0,1,0,0|2,0,0]=4 208 B11R1.16 CCCC(=O)C1CCNCC1 CBR00415 [0,1,0,1,0,0|1,0,0]=3 209 B11R1.16 CCOC(=O)C1CNCCO1 CDS014275 [0,1,0,1,0,0|1,0,0]=3 210 B11R1.16 CCOC(=O)[C@@H]1CCCCN1 CDS003427 [0,1,0,1,0,0|0,0,0]=2 211 B11R1.381 CCC1CNCCC(=O)N1C PH018620 [0,1,0,1,0,0|2,0,0]=4 212 B11R1.381 CCN1CCCC[C@@H](C1=O)N CDS006876 [0,1,0,1,0,0|2,0,0]=4 213 B11R1.819 CCOC(=O)C1(CCCC1)C PH014835 [0,1,0,1,0,0|0,0,0]=2 214 B11R1.819 CCOC(=O)C1(CCCC1)O CDS020968 [0,1,0,1,0,0|0,0,0]=2 215 B11R1.86 CN(C)CC1CCCCC1=O S703451 [0,1,0,1,0,0|2,0,0]=4 216 B11R1.86 CN(C)CC1CCCCC1=O S935484 [0,1,0,1,0,0|2,0,0]=4 217 B11R1.561 CC1CCCC(CC1=O)(C)C T187402 [0,1,0,1,0,0|1,0,0]=3 218 B11R1.41 CCCC\1CCCC/C1=N\O PH008814 [0,1,0,1,0,0|1,0,1]=4 219 B11R1.225 COC(=O)[C@@H]1CC(OC1=O)C T260177 [0,1,0,1,0,0|1,0,1]=4 220 B11R1.817 CCOC(=O)C1OC1(C)CC S374415 [0,1,0,1,0,0|1,0,0]=3 221 B11R2.106 [C@@H]12CCCC(=C)[C@@H]1CCC2 T172464 [0,0,0,2,0,0|2,0,0]=4 222 B11R2.106 [C@@H]12CCCC(=O)[C@@H]1CCC2 T167339 [0,0,0,2,0,0|1,0,0]=3 223 B11R2.367 CC1C(=O)C2CCN1CC2 PH008842 [0,0,0,2,0,0|2,0,0]=4 224 B11R2.531 [C@H]12CCC(=O)C([C@H]1CC2)C T181080 [0,0,0,2,0,0|1,0,0]=3 225 B11R2.20 C1CCC2CCCN=C2C1 PH001359 [0,0,0,2,0,0|2,0,0]=4 226 B11R2.48 O=C1N[C@H]2CC[C@@H]1CNC2 CBR01818 [0,0,0,2,0,0|2,0,0]=4 227 B11R2.8 [C@@H]12CCC[C@@H]1[C@@H](C(=O)C2)C T298115 [0,0,0,2,0,0|1,0,0]=3 228 B11R2.474 O=C1CCCC2CCC1O2 T173460 [0,0,0,2,0,0|2,0,0]=4 229 B11R2.513 [C@@H]12CCCCCC(=O)C1C2 T172456 [0,0,0,2,0,0|1,0,0]=3 230 B11R2.513 [C@@H]12CCCCCC(=O)[C@@H]1C2 T172480 [0,0,0,2,0,0|1,0,0]=3 231 B11R2.3 O=C1CCCC12CCCS2 T251763 [0,0,0,2,0,0|2,0,0]=4 232 B11R2.201 O=C1OC(=O)C2CCC1C2 S757330 [0,0,0,2,0,0|1,0,1]=4 233 B11R2.202 CC1=CC(=O)C2C1CCC2 T289019 [0,0,0,2,0,0|1,0,1]=4