0 B13R0.54 CCCCCCCCC/C=C/C(=O)O Z336127680 [0,0,0,0,0,0|0,0,2]=2 1 B13R0.54 CCCCCCCCCCCC(=O)O Z104476194 [0,0,0,0,0,0|0,0,0]=0 2 B13R0.54 O=C(O)CCCCCCCCCCBr Z57953031 [0,0,0,0,0,0|1,0,0]=1 3 B12R0.5 CCCCCCCCCC#CCO Z1198168660 [1,0,0,0,0,0|0,0,3]=4 4 B12R0.5 CCCCCCCCCCCC#N Z966176448 [1,0,0,0,0,0|1,0,1]=3 5 B12R0.5 CCCCCCCCCCCCN Z104474358 [1,0,0,0,0,0|1,0,1]=3 6 B12R0.5 CCCCCCCCCCCCO Z104476554 [1,0,0,0,0,0|0,0,1]=2 7 B12R0.5 CCCCCCCCNCCCN Z600494288 [1,0,0,0,0,0|2,0,1]=4 8 B12R0.5 CCCCCCCCOCCCN Z1262237229 [1,0,0,0,0,0|2,0,1]=4 9 B12R0.5 CCCCCCNCCCCCC Z104475172 [1,0,0,0,0,0|2,0,1]=4 10 B12R0.5 NCCCCCCCCCCCO Z1198263294 [1,0,0,0,0,0|1,0,1]=3 11 B12R0.234 C=CCCCCCCCCC(=O)O Z104479700 [1,0,0,0,0,0|0,0,2]=3 12 B12R0.234 CCCCCCCCCCC(=O)O Z104473988 [1,0,0,0,0,0|0,0,0]=1 13 B12R0.234 CCCCCCCCOCC(=O)O Z362795602 [1,0,0,0,0,0|1,0,0]=2 14 B12R0.234 O=C(O)CCCCCCCCCO Z1255434772 [1,0,0,0,0,0|1,0,0]=2 15 B14R0.153 NCCCC(=O)NCCCCCC(=O)O Z4536256817 [0,1,0,0,0,0|2,0,1]=4 16 B14R0.231 CCCOCC(=O)NCCCCC(=O)O Z1445178007 [0,1,0,0,0,0|2,0,1]=4 17 B14R0.391 CCCCCCCCCC(C)CC(=O)O Z1434181484 [0,1,0,0,0,0|0,0,0]=1 18 B14R0.391 CCCCCCCCNC(=O)CC(=O)O Z1508936042 [0,1,0,0,0,0|1,0,1]=3 19 B14R0.2224 CCCCOCC(=O)NCCCC(=O)O Z1443687453 [0,1,0,0,0,0|2,0,1]=4 20 B14R0.2224 CSCCCCC(=O)NCCCC(=O)O Z1455118919 [0,1,0,0,0,0|2,0,1]=4 21 B14R1.159 NC1CCCCC1CCCCC(=O)O Z5628310222 [0,0,0,1,0,0|1,0,0]=2 22 B14R1.422 O=C(O)CCNCCC1CC=CCC1 Z2681922680 [0,0,0,1,0,0|1,0,2]=4 23 B14R1.427 CC(=O)NCCCSCC1CCCC1 Z1599261125 [0,0,0,1,0,0|3,0,0]=4 24 B14R1.482 O=C(O)CCN1CCCCC1CCO Z53114585 [0,0,0,1,0,0|2,0,0]=3 25 B14R1.903 CSCCNC1CCCCC1C(=O)N Z1779353284 [0,0,0,1,0,0|3,0,0]=4 26 B14R1.1454 NC(=O)CCNC1CCCCCCC1 Z57030993 [0,0,0,1,0,0|2,0,0]=3 27 B14R1.6343 NC(=O)CCSCC1CCCCCC1 Z1675602022 [0,0,0,1,0,0|2,0,0]=3 28 B14R1.6388 O=C(O)CCCCCCCCC1CC1 Z1262515364 [0,0,0,1,0,0|0,0,0]=1 29 B14R1.6388 O=C(O)CCCCCCCCC1CO1 Z1486035990 [0,0,0,1,0,0|1,0,0]=2 30 B11R0.3 CCCCCCCCCCC=O Z993017862 [2,0,0,0,0,0|0,0,0]=2 31 B11R0.3 CCCCCCCCCCNC Z102767086 [2,0,0,0,0,0|1,0,1]=4 32 B11R0.3 CCCCCCCCSCCO Z425753146 [2,0,0,0,0,0|1,0,0]=3 33 B11R0.3 CCCCCCCNCCCO Z139305228 [2,0,0,0,0,0|1,0,0]=3 34 B11R0.148 CCCCCCCCCC(=O)O Z104474944 [2,0,0,0,0,0|0,0,0]=2 35 B11R0.148 CCCCCCCCNC(=O)C Z1509141066 [2,0,0,0,0,0|2,0,0]=4 36 B11R0.148 CCCCCCCNCC(=O)O Z1259273296 [2,0,0,0,0,0|1,0,0]=3 37 B11R0.148 CNCCCNCCCC(=O)O Z1537009544 [2,0,0,0,0,0|2,0,0]=4 38 B13R0.336 OCCCCCCCCCCCCBr Z1259040916 [1,1,0,0,0,0|0,0,1]=3 39 B13R0.150 CCCCCCCCCC(O)C(=O)O Z1269030530 [1,1,0,0,0,0|0,0,0]=2 40 B13R0.150 CCCCCCCCNC(=O)C(=O)O Z1509025750 [1,1,0,0,0,0|1,0,1]=4 41 B13R0.154 CCCCCCCC(=O)NCC(=O)O Z362780008 [1,1,0,0,0,0|1,0,1]=4 42 B13R0.179 O=C(O)CCCCCCCCC(=O)O Z104475420 [1,1,0,0,0,0|1,0,1]=4 43 B13R0.280 CCCCCCCCCCP(=O)(C)C Z57683826 [1,1,0,0,0,0|2,0,0]=4 44 B13R0.335 CCCCCCCCC(C)CC(=O)O Z1269116031 [1,1,0,0,0,0|0,0,0]=2 45 B15R0.81 CCCCCCCCCCCCC(C)CO Z1270136853 [0,2,0,0,0,0|1,0,1]=4 46 B15R0.81 COC(=O)CCCCCCCCCCCO Z2718913196 [0,2,0,0,0,0|0,0,0]=2 47 B15R0.84 CCCCCCCCCCCC(O)C(=O)O Z2049964923 [0,2,0,0,0,0|0,0,0]=2 48 B15R0.1626 CCCCCCCCCCC(C)(C)C(=O)O Z1136505746 [0,2,0,0,0,0|0,0,0]=2 49 B15R0.164 CCCCCCCCCCCCCC(=O)O Z1954802504 [0,2,0,0,0,0|0,0,0]=2 50 B15R0.164 CCCCCCCCCCCCSC(=N)N Z436066530 [0,2,0,0,0,0|2,0,0]=4 51 B15R0.164 CCCCCCCCCCNCCC(=O)O Z1407659785 [0,2,0,0,0,0|0,0,0]=2 52 B15R0.210 CCCCC(=O)NCCCCCCC(=O)O Z224152162 [0,2,0,0,0,0|0,0,1]=3 53 B13R1.279 O=C1CCCCCCCCCCC1 Z104473098 [1,0,0,1,0,0|0,0,0]=2 54 B13R1.659 CCCCCCCCCCC1CO1 Z1255485282 [1,0,0,1,0,0|0,0,1]=3 55 B13R1.27 CCCCCCCC1CCC(=O)O1 Z90120148 [1,0,0,1,0,0|0,0,0]=2 56 B13R1.90 CCC1CCCCC1OCC(=O)O Z316259164 [1,0,0,1,0,0|1,0,0]=3 57 B13R1.167 NC1CCCC1CCCCC(=O)O Z5386737761 [1,0,0,1,0,0|1,0,0]=3 58 B13R1.337 NC(=O)CNCCC1CCCCC1 Z234895885 [1,0,0,1,0,0|2,0,0]=4 59 B13R1.337 O=C(O)CCCCN1CCCCC1 Z1270387209 [1,0,0,1,0,0|1,0,0]=3 60 B13R1.337 O=C(O)CCCCN1CCOCC1 Z362634334 [1,0,0,1,0,0|2,0,0]=4 61 B13R1.380 O=C(O)CN1CCCCC1CCO Z359352610 [1,0,0,1,0,0|2,0,0]=4 62 B13R1.572 CCCCN1CCCCC1C(=O)O Z1665192314 [1,0,0,1,0,0|1,0,0]=3 63 B13R1.572 CCCCN1CCOCC1C(=O)O Z1762997267 [1,0,0,1,0,0|2,0,0]=4 64 B15R1.503 O=C(O)CCNC(=O)CCC1CCCC1 Z85914409 [0,1,0,1,0,0|1,0,1]=4 65 B15R1.8894 CC(C)CC1CCCCCN1CC(=O)O Z1460002086 [0,1,0,1,0,0|1,0,0]=3 66 B15R1.16600 O=S(=O)(O)CCCCN1CCCCCC1 Z123644776 [0,1,0,1,0,0|2,0,0]=4 67 B15R1.131 CC1CCCCC1CNCCCS(=O)C Z1653531312 [0,1,0,1,0,0|2,0,0]=4 68 B15R1.1239 CCCCC(=O)N1CCCCC1C(=O)O Z224150686 [0,1,0,1,0,0|1,0,1]=4 69 B15R1.1246 CCCCC(=O)N1CCCC1CC(=O)O Z808565664 [0,1,0,1,0,0|1,0,1]=4 70 B15R1.9080 O=C(O)CCCCCNC(=O)C1CCC1 Z85878279 [0,1,0,1,0,0|1,0,1]=4 71 B15R1.273 CCSC1CCCCC1NCC(=O)OC Z1817499613 [0,1,0,1,0,0|2,0,0]=4 72 B15R1.12436 COC(=O)CCNC1CCCCCCC1 Z57030994 [0,1,0,1,0,0|1,0,0]=3 73 B15R1.5919 O=C(O)CNC(=O)CCC1CCCCC1 Z224128668 [0,1,0,1,0,0|1,0,1]=4 74 B15R1.1051 CCCCN1CCCCC1COC(=O)C Z1498706453 [0,1,0,1,0,0|2,0,0]=4 75 B15R1.1068 CCCCC1CCCC1NCCC(=O)O Z2329561214 [0,1,0,1,0,0|0,0,0]=2 76 B15R1.820 CCCC(C)C1CCCN1CCC(=O)O Z1465355058 [0,1,0,1,0,0|1,0,0]=3 77 B15R2.1668 NC(=O)CC1CCC2CNCCC2C1 Z3476966330 [0,0,0,2,0,0|2,0,0]=4 78 B15R2.1668 NC(=O)CN1CCC2CCCCC2C1 Z103909698 [0,0,0,2,0,0|2,0,0]=4 79 B15R2.1668 O=C(O)CC1CCC2CNCCC2C1 Z3409295009 [0,0,0,2,0,0|1,0,0]=3 80 B15R2.44190 O=C(O)CCNCC12CCCCC1C2 Z2503682813 [0,0,0,2,0,0|1,0,0]=3 81 B15R2.63 O=C(O)C1CCCC1C2CCNCC2 Z3379618440 [0,0,0,2,0,0|1,0,0]=3 82 B15R2.63 O=C(O)C1CCCN1C2CCCCC2 Z424763232 [0,0,0,2,0,0|1,0,0]=3 83 B15R2.63 O=C(O)C1CCCN1C2CCNCC2 Z596251370 [0,0,0,2,0,0|2,0,0]=4 84 B15R2.63 O=C(O)C1CCCN1C2CCOCC2 Z1436185324 [0,0,0,2,0,0|2,0,0]=4 85 B15R2.63 O=C(O)C1CNCC1C2CCCCC2 Z1172378932 [0,0,0,2,0,0|1,0,0]=3 86 B15R2.63 O=C(O)C1OCCC1C2CCNCC2 Z4913175440 [0,0,0,2,0,0|2,0,0]=4 87 B15R2.63 O=C(O)[C@@H]1CCO[C@H]1C2CCNCC2 Z2311241304 [0,0,0,2,0,0|2,0,0]=4 88 B15R2.63 O=C(O)[C@@H]1CNC[C@H]1C2CCOCC2 Z4504545637 [0,0,0,2,0,0|2,0,0]=4 89 B15R2.1243 NC(=O)[C@@H]1CCC[C@@H]1NC2CCCC2 Z2235387992 [0,0,0,2,0,0|2,0,0]=4 90 B15R2.16385 O=C(O)C1CNCC12CCCCCC2 Z1172378938 [0,0,0,2,0,0|1,0,0]=3 91 B15R2.62 O=C(O)C1CCOCC12CCCCC2 Z2732759424 [0,0,0,2,0,0|1,0,0]=3 92 B15R2.68122 O=C(O)CC1CCCC2C1CCCC2 Z1198168834 [0,0,0,2,0,0|0,0,0]=2 93 B15R2.68122 O=C(O)CN1CCSC2C1CCCC2 Z1460005487 [0,0,0,2,0,0|2,0,0]=4 94 B15R2.1221 O=C(O)C1CCCCC1C2CCCO2 Z2235790053 [0,0,0,2,0,0|1,0,0]=3 95 B15R2.1221 O=C(O)C1CCCCN1C2CCCC2 Z1881598283 [0,0,0,2,0,0|1,0,0]=3 96 B15R2.1221 O=C(O)C1COCCN1C2CCCC2 Z1821397749 [0,0,0,2,0,0|2,0,0]=4 97 B15R2.69618 O=C(O)C[C@]12CCCC[C@H]1NCCC2 Z3718282353 [0,0,0,2,0,0|1,0,0]=3 98 B15R2.16320 O=C(O)C1COCCN1CC2CCC2 Z1718361860 [0,0,0,2,0,0|2,0,0]=4