0 B9R0.44 CCCC(=O)OC(C)(C)C PH007526 [0,0,0,0,0,0|3,0,1]=4 1 B9R0.44 CCOC(=O)CC(C)(C)C S547093 [0,0,0,0,0,0|3,0,1]=4 2 B9R0.44 C[N+](C)(C)CC(O)CC#N S343781 [0,0,0,0,0,0|3,0,1]=4 3 B8R0.21 C(=C/C(C)(C)C)\CCC S411981 [1,0,0,0,0,0|1,0,2]=4 4 B8R0.21 CC(C)(C)NCCCCl PH013728 [1,0,0,0,0,0|2,0,0]=3 5 B8R0.21 CC(C)(C)NCCCN CDS003052 [1,0,0,0,0,0|2,0,0]=3 6 B8R0.21 CC(C)(C)NCCCO PH012685 [1,0,0,0,0,0|1,0,0]=2 7 B8R0.21 CC(C)(C)OCCCCl S261300 [1,0,0,0,0,0|2,0,0]=3 8 B8R0.21 CC(C)(N)CNCCO S350753 [1,0,0,0,0,0|2,0,0]=3 9 B8R0.21 CCCCCC(C)(C)O S431567 [1,0,0,0,0,0|2,0,0]=3 10 B8R0.21 CCCCSC(C)(C)C S570575 [1,0,0,0,0,0|2,0,0]=3 11 B8R0.21 C[Si](C)(C)CCCCO S827878 [1,0,0,0,0,0|0,1,0]=2 12 B8R0.21 C[Si](C)(C)OCCCO PH008513 [1,0,0,0,0,0|1,1,0]=3 13 B8R0.24 C=C(CO)CC(C)(C)C S448338 [1,0,0,0,0,0|0,0,2]=3 14 B8R0.24 C=C(CO)C[Si](C)(C)C T296767 [1,0,0,0,0,0|0,1,2]=4 15 B8R0.24 C=CC(C)CC(C)(C)C S431591 [1,0,0,0,0,0|0,0,2]=3 16 B8R0.24 CC(CO)CC(F)(F)F CDS020740 [1,0,0,0,0,0|3,0,0]=4 17 B8R0.24 CC(CS)CC(C)(C)C S663433 [1,0,0,0,0,0|0,1,0]=2 18 B10R0.31 CC(CC(=O)O)CC(C)(C)C S415006 [0,1,0,0,0,0|0,0,1]=2 19 B10R0.37 CC(C)(C)OC(=O)[C@@H](N)CO CDS013925 [0,1,0,0,0,0|2,0,1]=4 20 B10R1.33 CC1(CC(C(C1)CO)O)C T215082 [0,0,0,1,0,0|1,0,0]=2 21 B10R1.281 CC(C)(N)CN1CCCC1 CDS009596 [0,0,0,1,0,0|3,0,0]=4 22 B10R1.329 CC1CC(CC(C1)(C)C)N PH009940 [0,0,0,1,0,0|1,0,0]=2 23 B10R1.329 CC1CC(CC(C1)(C)C)O S419001 [0,0,0,1,0,0|0,0,0]=1 24 B10R1.329 CC1CC(NC(C1)(C)C)C PH012624 [0,0,0,1,0,0|2,0,0]=3 25 B8R0.14 C(=C(\C)/[Si](C)(C)C)\CO T242896 [0,0,0,0,1,0|0,1,2]=4 26 B8R0.14 C=C(CCO)[Si](C)(C)C T214426 [0,0,0,0,1,0|0,1,2]=4 27 B8R0.14 C=CCC(O)C(C)(C)C PH009857 [0,0,0,0,1,0|2,0,1]=4 28 B8R0.14 CCCC(=O)C(C)(C)C CDS021484 [0,0,0,0,1,0|2,0,1]=4 29 B8R0.14 CCCC(C)C(C)(C)O S433187 [0,0,0,0,1,0|2,0,0]=3 30 B8R0.14 CCCC(O)C(C)(C)C S431532 [0,0,0,0,1,0|2,0,0]=3 31 B7R0.2 C=C(CO)CC(C)C T296279 [2,0,0,0,0,0|0,0,2]=4 32 B7R0.2 CC(C)C[C@H](N)CO CDS005275 [2,0,0,0,0,0|1,0,0]=3 33 B7R0.2 CC(CCl)CN(C)C R276561 [2,0,0,0,0,0|2,0,0]=4 34 B7R0.2 CC(CN)CN(C)C CBR00154 [2,0,0,0,0,0|2,0,0]=4 35 B7R0.2 CCC(O)CC(C)C S447455 [2,0,0,0,0,0|1,0,0]=3 36 B7R0.2 CCC(O)CC(C)O PH001987 [2,0,0,0,0,0|2,0,0]=4 37 B7R0.4 CC(C)CNCCO CBR01428 [2,0,0,0,0,0|1,0,0]=3 38 B7R0.4 CC(C)CSCCO PH017930 [2,0,0,0,0,0|1,0,0]=3 39 B7R0.4 CC(C)OCCCO CBR02059 [2,0,0,0,0,0|1,0,0]=3 40 B7R0.4 CC(O)CNCCO S361372 [2,0,0,0,0,0|2,0,0]=4 41 B7R0.4 CCCCCC(C)Cl CDS000285 [2,0,0,0,0,0|2,0,0]=4 42 B7R0.4 CCCCSC(C)C S570605 [2,0,0,0,0,0|2,0,0]=4 43 B7R0.4 CCCSCC(C)C S547131 [2,0,0,0,0,0|2,0,0]=4 44 B7R0.4 CN(C)CCCCN CDS013751 [2,0,0,0,0,0|2,0,0]=4 45 B7R0.7 CCCC(C)CC#N PH002982 [2,0,0,0,0,0|1,0,1]=4 46 B7R0.7 CCCC(Cl)CCC S563323 [2,0,0,0,0,0|2,0,0]=4 47 B7R0.7 CCCC(S)CCO CDS001520 [2,0,0,0,0,0|1,0,0]=3 48 B7R0.7 CCOC(C)CCO S322008 [2,0,0,0,0,0|1,0,0]=3 49 B7R0.8 CC(C)(C)SCCO R395358 [2,0,0,0,0,0|1,0,0]=3 50 B7R0.8 CCCC[N+](C)(C)C S949825 [2,0,0,0,0,0|1,0,0]=3 51 B7R0.8 CCNCC(C)(C)O S373400 [2,0,0,0,0,0|2,0,0]=4 52 B7R0.8 CNCCC(C)(C)O CBR00149 [2,0,0,0,0,0|2,0,0]=4 53 B7R0.8 C[N+](C)(C)CCCO S937398 [2,0,0,0,0,0|1,0,0]=3 54 B7R0.9 CC(C)CC(C)(C)N CBR01536 [2,0,0,0,0,0|1,0,0]=3 55 B7R0.9 CC(C)CC(C)(C)O S679178 [2,0,0,0,0,0|1,0,0]=3 56 B7R0.9 CC(C)SC(C)(C)C S570680 [2,0,0,0,0,0|1,0,0]=3 57 B7R0.9 CC(O)CC(C)(C)S CDS012171 [2,0,0,0,0,0|1,0,0]=3 58 B7R0.9 CN(C)CC(C)(C)N CBR01568 [2,0,0,0,0,0|2,0,0]=4 59 B9R0.6 CCCC(C)C(=O)C(C)C S433179 [1,1,0,0,0,0|1,0,1]=4 60 B9R0.53 CC(C)C[C@@H](N)CC(=O)O CDS008875 [1,1,0,0,0,0|1,0,1]=4 61 B9R0.3 CCCCC(O)C(C)(C)C S416975 [1,1,0,0,0,0|1,0,0]=3 62 B9R0.38 CC(C)(C)NCCCCN PH001116 [1,1,0,0,0,0|1,0,0]=3 63 B9R0.38 CC(C)(C)NCCCCO PH010144 [1,1,0,0,0,0|0,0,0]=2 64 B9R0.38 C[Si](C)(C)OCCCCBr T215228 [1,1,0,0,0,0|1,1,0]=4 65 B9R0.56 CC(C)(C)SCCC(=O)O PH010949 [1,1,0,0,0,0|1,0,1]=4 66 B9R0.56 CC(C)CCCC(C)(C)O CDS001576 [1,1,0,0,0,0|2,0,0]=4 67 B9R0.22 CCC(C)OC(C)(C)OC PH007359 [1,1,0,0,0,0|1,0,0]=3 68 B9R0.30 CC(C)(C)CC(C)(O)CO S291439 [1,1,0,0,0,0|0,0,0]=2 69 B9R0.30 CSC(C)(C)CC(C)(C)C S919306 [1,1,0,0,0,0|1,0,0]=3 70 B9R0.57 CC(CC(C)(C)N)C(=O)O T160466 [1,1,0,0,0,0|1,0,1]=4 71 B9R0.10 CC(C)(C)[C@@H](N)CC(=O)O CDS005404 [0,1,0,0,1,0|1,0,1]=4 72 B9R0.10 CC(C)CC(O)C(C)(C)C S876585 [0,1,0,0,1,0|2,0,0]=4 73 B9R0.16 CC(C)(C)[Si](C)(C)CCN PH001864 [0,1,0,0,1,0|1,1,0]=4 74 B11R0.245 C=CCNC(C)(C)CC(C)(C)C PH007128 [0,2,0,0,0,0|1,0,1]=4 75 B9R1.13 CC(C)CC1CCCN1 CDS005695 [1,0,0,1,0,0|2,0,0]=4 76 B9R1.34 CC1CC(=O)CC(C1)C S419052 [1,0,0,1,0,0|0,0,2]=4 77 B9R1.34 C[C@@H]1C[C@@H](C[C@@H](C1)C)O PH019597 [1,0,0,1,0,0|0,0,0]=2 78 B9R1.66 CC1(CC(CCO1)N)C CDS009920 [1,0,0,1,0,0|1,0,0]=3 79 B9R1.66 CC1(CCCC(C1)O)C S480940 [1,0,0,1,0,0|2,0,0]=4 80 B9R1.66 CN1CCNC(C1)(C)C CBR00658 [1,0,0,1,0,0|2,0,0]=4 81 B9R1.136 OCCC1CC(C1)(F)F OMC00047 [1,0,0,1,0,0|2,0,0]=4 82 B9R1.19 CC(C)(C)[N+]1=CCCC1 R246956 [1,0,0,1,0,0|2,0,0]=4 83 B9R1.87 C1(CC1[Si](C)(C)C)CO T219894 [1,0,0,1,0,0|0,1,0]=3 84 B9R1.87 C1(CC1[Si](C)(C)C)CO T219924 [1,0,0,1,0,0|0,1,0]=3 85 B9R1.133 CC1(SCC(S1)CO)C T152781 [1,0,0,1,0,0|2,0,0]=4 86 B9R1.148 CC1(CCCCCC1)O S411949 [1,0,0,1,0,0|2,0,0]=4 87 B9R1.36 CC1(CC(=O)C(C1)O)C T239054 [1,0,0,1,0,0|1,0,1]=4 88 B9R1.36 CC1(CC(C(C1)Br)Br)C T239070 [1,0,0,1,0,0|2,0,0]=4 89 B9R1.36 CC1(CC(C(C1)O)O)C T239062 [1,0,0,1,0,0|1,0,0]=3 90 B9R1.185 CCC(=O)C1CC1(C)C CDS023554 [1,0,0,1,0,0|1,0,1]=4 91 B9R1.40 CC1(CNCCC1O)C PHB00253 [0,0,0,1,1,0|2,0,0]=4 92 B9R1.51 CC(C)(C)N1CC(C1)O PHB00154 [0,0,0,1,1,0|1,0,0]=3 93 B11R1.136 CC(C)(CO)CN1CCCC1 PH014760 [0,1,0,1,0,0|2,0,0]=4 94 B11R1.325 CC1CC(N(C(C1)(C)C)C)C PH012628 [0,1,0,1,0,0|1,0,0]=3 95 B11R1.509 CC(C)(N)CN1CCOCC1 CBR01946 [0,1,0,1,0,0|2,0,0]=4 96 B11R1.1362 CC1(CC(CC(C1)(C)C)N)C PH015354 [0,1,0,1,0,0|1,0,0]=3 97 B11R1.1362 CC1(CC(CC(C1)(C)C)O)C R750905 [0,1,0,1,0,0|0,0,0]=2 98 B11R1.1362 CC1(CC(CC(N1)(C)C)N)C L161489 [0,1,0,1,0,0|2,0,0]=4 99 B11R1.1362 N1C(CC(CC1(C)C)O)(C)C S319686 [0,1,0,1,0,0|1,0,0]=3 100 B11R1.316 CC1C(CCC1C(C)(C)C)O S793078 [0,1,0,1,0,0|1,0,0]=3 101 B11R1.357 C=C(C1CCOC1)[Sn](C)(C)C T235490 [0,1,0,1,0,0|1,0,1]=4 102 B11R2.1250 C1(C2C1CCC2)[Si](C)(C)C T212318 [0,0,0,2,0,0|1,1,0]=4 103 B11R2.739 C1(CC2CC1C(C2)(C)C)O T258679 [0,0,0,2,0,0|0,0,0]=2 104 B11R2.739 CC1(CC2CC(=O)C1C2)C T245739 [0,0,0,2,0,0|0,0,2]=4 105 B7R0.5 CC(C)C(N)CCO BBO000682 [1,0,0,0,1,0|1,0,0]=3 106 B7R0.5 CC(CCN)N(C)C CBR00152 [1,0,0,0,1,0|2,0,0]=4 107 B7R0.5 CC(CCO)N(C)C CBR00155 [1,0,0,0,1,0|1,0,0]=3 108 B7R0.5 CCCC(C)C(C)O S433373 [1,0,0,0,1,0|2,0,0]=4 109 B7R0.14 C/C=C(\C)/C(C)(C)C R289345 [1,0,0,0,1,0|0,0,2]=4 110 B9R0.48 CCOC(C)OCC(C)C CDS018832 [1,0,0,0,0,1|2,0,0]=4