0 B12R0.234 C=CCCCCCCCCC(=O)O Z104479700 [0,0,0,0,0,0|0,0,0]=0 1 B12R0.234 CCCCCCCCCCC(=O)O Z104473988 [0,0,0,0,0,0|0,0,2]=2 2 B12R0.234 CCCCCCCCOCC(=O)O Z362795602 [0,0,0,0,0,0|1,0,2]=3 3 B12R0.234 O=C(O)CCCCCCCCCO Z1255434772 [0,0,0,0,0,0|1,0,1]=2 4 B11R0.3 CCCCCCCCCCC=O Z993017862 [1,0,0,0,0,0|0,0,2]=3 5 B11R0.148 CCCCCCCCCC(=O)O Z104474944 [1,0,0,0,0,0|0,0,1]=2 6 B11R0.148 CCCCCCCCNC(=O)C Z1509141066 [1,0,0,0,0,0|2,0,1]=4 7 B11R0.148 CCCCCCCNCC(=O)O Z1259273296 [1,0,0,0,0,0|1,0,1]=3 8 B11R0.148 CNCCCNCCCC(=O)O Z1537009544 [1,0,0,0,0,0|2,0,1]=4 9 B13R0.54 CCCCCCCCC/C=C/C(=O)O Z336127680 [0,1,0,0,0,0|0,0,3]=4 10 B13R0.54 CCCCCCCCCCCC(=O)O Z104476194 [0,1,0,0,0,0|0,0,2]=3 11 B13R0.54 O=C(O)CCCCCCCCCCBr Z57953031 [0,1,0,0,0,0|0,0,2]=3 12 B13R0.147 COC(=O)CCCCCCCCCN Z3221366174 [0,1,0,0,0,0|1,0,1]=3 13 B13R0.150 CCCCCCCCCC(O)C(=O)O Z1269030530 [0,1,0,0,0,0|0,0,2]=3 14 B13R0.179 O=C(O)CCCCCCCCC(=O)O Z104475420 [0,1,0,0,0,0|1,0,0]=2 15 B13R0.335 CCCCCCCCC(C)CC(=O)O Z1269116031 [0,1,0,0,0,0|0,0,2]=3 16 B13R1.27 CCCCCCCC1CCC(=O)O1 Z90120148 [0,0,0,1,0,0|0,0,2]=3 17 B13R1.90 CCC1CCCCC1OCC(=O)O Z316259164 [0,0,0,1,0,0|1,0,2]=4 18 B13R1.167 NC1CCCC1CCCCC(=O)O Z5386737761 [0,0,0,1,0,0|1,0,1]=3 19 B13R1.279 O=C1CCCCCCCCCCC1 Z104473098 [0,0,0,1,0,0|1,0,2]=4 20 B13R1.283 NC(=O)CN1CCCCCCC1=O Z752159612 [0,0,0,1,0,0|3,0,0]=4 21 B13R1.283 O=C(O)CN1CCCCCCC1=O Z285233536 [0,0,0,1,0,0|2,0,0]=3 22 B13R1.337 O=C(O)CCCCN1CCCCC1 Z1270387209 [0,0,0,1,0,0|1,0,2]=4 23 B13R1.343 O=C(O)CCCCCC1=CC=CS1 Z424791116 [0,0,0,1,0,0|1,0,2]=4 24 B13R1.380 O=C(O)CN1CCCCC1CCO Z359352610 [0,0,0,1,0,0|2,0,1]=4 25 B13R1.572 CCCCN1CCCCC1C(=O)O Z1665192314 [0,0,0,1,0,0|1,0,2]=4 26 B13R1.1022 CC(=O)NOC1C=CCCCCC1 Z2417927307 [0,0,0,1,0,0|3,0,0]=4 27 B10R0.71 C=CCCCCCCCCN Z2083000288 [2,0,0,0,0,0|1,0,0]=3 28 B10R0.71 CCCCCCCCCC=O Z104477054 [2,0,0,0,0,0|0,0,1]=3 29 B10R0.4 C#CCCCCCCC(=O)O Z1255435221 [2,0,0,0,0,0|0,0,2]=4 30 B10R0.4 CCCCCCCCC(=O)N Z296759818 [2,0,0,0,0,0|1,0,0]=3 31 B10R0.4 CCCCCCCCC(=O)O Z104473336 [2,0,0,0,0,0|0,0,0]=2 32 B10R0.4 CCCCCCCCS(=O)C Z1198155780 [2,0,0,0,0,0|2,0,0]=4 33 B10R0.4 CCCCCCOCC(=O)O Z362795556 [2,0,0,0,0,0|1,0,0]=3 34 B10R0.4 CCOCCCCCC(=O)O Z1219750577 [2,0,0,0,0,0|1,0,0]=3 35 B10R0.4 COCCCOCCC(=O)O Z608071756 [2,0,0,0,0,0|2,0,0]=4 36 B10R0.4 COCCOCCCC(=O)O Z316259206 [2,0,0,0,0,0|2,0,0]=4 37 B10R0.4 CSCCCCCCC(=O)O Z1262519805 [2,0,0,0,0,0|1,0,0]=3 38 B10R0.4 NCCCCCCCC(=O)O Z1201625777 [2,0,0,0,0,0|1,0,0]=3 39 B12R0.4 CCCCCCCC(N)CC(=O)O Z2732205949 [1,1,0,0,0,0|0,0,1]=3 40 B12R0.255 CCCCCCC(O)CCC(=O)[O-] Z2768516745 [1,1,0,0,0,0|0,0,2]=4 41 B12R0.268 NC(=O)CCCCCCCC(=O)N Z1137326066 [1,1,0,0,0,0|2,0,0]=4 42 B12R0.268 O=C(O)CCCCCCCC(=O)O Z57127532 [1,1,0,0,0,0|1,0,0]=3 43 B14R0.391 CCCCCCCCCC(C)CC(=O)O Z1434181484 [0,2,0,0,0,0|0,0,2]=4 44 B14R0.393 CCOC(=O)CCCCCCCCCN Z4872698405 [0,2,0,0,0,0|1,0,1]=4 45 B14R0.488 CCCCCCCCCC(CC)C(=O)O Z1136505721 [0,2,0,0,0,0|0,0,2]=4 46 B12R1.215 O=C1CCCCCCCCCN1 Z1509140506 [1,0,0,1,0,0|1,0,1]=4 47 B12R1.372 CCCCCCC1CCCC1=O Z57921382 [1,0,0,1,0,0|0,0,2]=4 48 B12R1.375 O=CCCCCCCCC1CC1 Z4497136697 [1,0,0,1,0,0|0,0,2]=4 49 B12R1.75 C=C[C@H]1CNCC[C@H]1CC(=O)O Z4574897603 [1,0,0,1,0,0|1,0,0]=3 50 B12R1.125 CC1CCCCC1OCC(=O)O Z316259180 [1,0,0,1,0,0|1,0,1]=4 51 B12R1.125 CC1CNCCC1CCC(=O)O Z2235791789 [1,0,0,1,0,0|1,0,1]=4 52 B12R1.125 CN1CCCCC1CCC(=O)O Z1839480698 [1,0,0,1,0,0|1,0,1]=4 53 B12R1.125 NC1CCCCC1CCC(=O)O Z2230911221 [1,0,0,1,0,0|1,0,0]=3 54 B12R1.210 O=C(O)CC1CCCCNC1=O Z1262530899 [1,0,0,1,0,0|2,0,0]=4 55 B12R1.212 NC1CCCCCCC1C(=O)O Z1404660384 [1,0,0,1,0,0|1,0,0]=3 56 B12R1.252 O=C(O)CCCC1CCCCC1 Z104482928 [1,0,0,1,0,0|0,0,1]=3 57 B12R1.252 O=C(O)CCCC1CCCCN1 Z2106608775 [1,0,0,1,0,0|1,0,0]=3 58 B12R1.252 O=C(O)CCCC1CCCNC1 Z2831439612 [1,0,0,1,0,0|1,0,1]=4 59 B12R1.252 O=C(O)CCCC1CCNCC1 Z2106608777 [1,0,0,1,0,0|1,0,1]=4 60 B12R1.252 O=C(O)CCCC1CCOCC1 Z1209411166 [1,0,0,1,0,0|1,0,1]=4 61 B12R1.252 O=C(O)CCCN1CCCCC1 Z600397690 [1,0,0,1,0,0|1,0,1]=4 62 B12R1.252 O=C(O)CCNC1CCCCC1 Z3344728240 [1,0,0,1,0,0|1,0,1]=4 63 B12R1.252 O=C(O)CSCC1CCCCO1 Z214812604 [1,0,0,1,0,0|2,0,0]=4 64 B12R1.255 O=C(O)CCCCC1CCSS1 Z56969297 [1,0,0,1,0,0|2,0,0]=4 65 B12R1.255 O=C(O)CCCCN1CCCC1 Z1650859695 [1,0,0,1,0,0|1,0,1]=4 66 B12R1.255 O=C(O)CCCC[C@@H]1CCSS1 Z1269228108 [1,0,0,1,0,0|2,0,0]=4 67 B12R1.255 O=C(O)CCCC[C@H]1CCSS1 Z1269169215 [1,0,0,1,0,0|2,0,0]=4 68 B12R1.255 O=C(O)CCOCC1CCCO1 Z316259312 [1,0,0,1,0,0|2,0,0]=4 69 B12R1.283 CCCN1CCCCC1C(=O)O Z763030024 [1,0,0,1,0,0|1,0,1]=4 70 B12R1.1343 O=C(O)CCC1CCCCNC1 Z5060031354 [1,0,0,1,0,0|1,0,1]=4 71 B12R1.1343 O=C(O)CCN1CCCCCC1 Z1171978831 [1,0,0,1,0,0|1,0,1]=4 72 B14R1.159 NC1CCCCC1CCCCC(=O)O Z5628310222 [0,1,0,1,0,0|0,0,2]=4 73 B14R1.422 O=C(O)CCNCCC1CC=CCC1 Z2681922680 [0,1,0,1,0,0|1,0,0]=3 74 B14R1.482 O=C(O)CCN1CCCCC1CCO Z53114585 [0,1,0,1,0,0|1,0,1]=4 75 B14R1.6388 O=C(O)CCCCCCCCC1CC1 Z1262515364 [0,1,0,1,0,0|0,0,2]=4 76 B14R1.6388 O=C(O)CCCCCCCCC1CO1 Z1486035990 [0,1,0,1,0,0|0,0,2]=4 77 B14R1.483 C=CCN1CCSCC1CC(=O)OC Z1429502866 [0,1,0,1,0,0|2,0,0]=4 78 B14R2.781 O=C(O)C1CCC2CCCCC2C1 Z1262511896 [0,0,0,2,0,0|0,0,2]=4 79 B14R2.781 O=C(O)C1CCC2CCCCC2N1 Z1318147496 [0,0,0,2,0,0|1,0,1]=4 80 B14R2.31353 O=C(O)C1CC2C1CCCCCC2 Z3482429405 [0,0,0,2,0,0|0,0,2]=4 81 B14R2.31359 O=C(O)C1CCCC2C1CCCC2 Z1262514786 [0,0,0,2,0,0|0,0,2]=4 82 B14R2.25160 N[C@H]1[C@H]2CCCCC[C@H]2[C@H]1C(=O)O Z4464565179 [0,0,0,2,0,0|1,0,1]=4