0 B6R0.5 C(=C\C(C)(C)C)\C S411922 [0,0,0,0,0,0|2,0,2]=4 1 B6R0.5 C(=C\C(C)(C)C)\C S437441 [0,0,0,0,0,0|2,0,2]=4 2 B6R0.5 C=CCC(C)(C)O S437506 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.5 CC(C)(C)/C=N/O PH009800 [0,0,0,0,0,0|2,0,1]=3 4 B6R0.5 CC(C)(C)CC#N PH014763 [0,0,0,0,0,0|2,0,1]=3 5 B6R0.5 CC(C)(C)CCCl S416630 [0,0,0,0,0,0|2,0,0]=2 6 B6R0.5 CC(C)(C)NC#N S435139 [0,0,0,0,0,0|3,0,1]=4 7 B6R0.5 CC(C)(Cl)CCCl S434116 [0,0,0,0,0,0|3,0,0]=3 8 B6R0.5 CC(C)(F)CCO PH018175 [0,0,0,0,0,0|2,0,0]=2 9 B6R0.5 CC(C)(O)CCCl CDS019086 [0,0,0,0,0,0|3,0,0]=3 10 B6R0.5 CC(C)(O)CCN CDS019270 [0,0,0,0,0,0|3,0,0]=3 11 B6R0.5 CCNC(C)(C)C CDS000392 [0,0,0,0,0,0|3,0,0]=3 12 B6R0.5 CNCC(C)(C)C CBR00855 [0,0,0,0,0,0|3,0,0]=3 13 B6R0.5 CNCC(C)(C)C CDS011416 [0,0,0,0,0,0|3,0,0]=3 14 B6R0.5 COCC(C)(C)N CBR00858 [0,0,0,0,0,0|4,0,0]=4 15 B6R0.5 CS(=O)(=O)CCN CDS005167 [0,0,0,0,0,0|4,0,0]=4 16 B6R0.5 O=S(=O)([O-])CCO CDS003508 [0,0,0,0,0,0|4,0,0]=4 17 B6R0.5 OCCC(F)(F)F CDS014243 [0,0,0,0,0,0|4,0,0]=4 18 B5R0.1 CC(=O)CCN OTV000740 [1,0,0,0,0,0|3,0,0]=4 19 B5R0.1 CC(C)C=NO S388378 [1,0,0,0,0,0|2,0,1]=4 20 B5R0.1 CC(C)CCCl S564524 [1,0,0,0,0,0|2,0,0]=3 21 B5R0.1 CN(C)CCBr PH011840 [1,0,0,0,0,0|1,0,1]=3 22 B5R0.1 CN(C)CCO S573124 [1,0,0,0,0,0|0,0,1]=2 23 B5R0.1 CNCC(C)C CDS000422 [1,0,0,0,0,0|3,0,0]=4 24 B5R0.1 N=C(N)CCO PH014361 [1,0,0,0,0,0|3,0,0]=4 25 B5R0.4 CC(C)(O)CN CDS007515 [1,0,0,0,0,0|3,0,0]=4 26 B7R0.8 C(=C/[Si](C)(C)C)\CO T278297 [0,1,0,0,0,0|1,0,1]=3 27 B7R0.8 C(=C\[Si](C)(C)C)\CO T220086 [0,1,0,0,0,0|1,0,1]=3 28 B7R0.8 CC(C)(C)SCCO R395358 [0,1,0,0,0,0|1,0,0]=2 29 B7R0.8 CCCC[N+](C)(C)C S949825 [0,1,0,0,0,0|1,0,0]=2 30 B7R0.8 CCNCC(C)(C)O S373400 [0,1,0,0,0,0|3,0,0]=4 31 B7R0.8 CNCCC(C)(C)O CBR00149 [0,1,0,0,0,0|3,0,0]=4 32 B7R0.8 C[N+](C)(C)CCCO S937398 [0,1,0,0,0,0|0,0,0]=1 33 B7R0.9 CC(C)CC(C)(C)N CBR01536 [0,1,0,0,0,0|3,0,0]=4 34 B7R0.9 CC(C)CC(C)(C)O S679178 [0,1,0,0,0,0|3,0,0]=4 35 B7R0.9 CC(C)SC(C)(C)C S570680 [0,1,0,0,0,0|3,0,0]=4 36 B7R0.9 CC(O)CC(C)(C)S CDS012171 [0,1,0,0,0,0|2,0,0]=3 37 B7R0.11 C=CCC(C)(C)CO T273422 [0,1,0,0,0,0|2,0,1]=4 38 B7R0.11 CCCC(C)(C)CC R289418 [0,1,0,0,0,0|2,0,0]=3 39 B7R0.11 CCCC(C)(O)CC S426865 [0,1,0,0,0,0|3,0,0]=4 40 B7R0.11 CCC[N+](C)(C)CC S765708 [0,1,0,0,0,0|1,0,0]=2 41 B7R0.11 CCS(=O)(=O)CCO PH010969 [0,1,0,0,0,0|3,0,0]=4 42 B7R0.11 CNCC(C)(C)CO CBR00150 [0,1,0,0,0,0|3,0,0]=4 43 B7R0.11 COC(C)(C)CCN CBR01630 [0,1,0,0,0,0|2,0,0]=3 44 B7R0.11 COCC(C)(C)CN CBR00889 [0,1,0,0,0,0|3,0,0]=4 45 B7R0.14 C=C(CO)[Si](C)(C)C T225495 [0,1,0,0,0,0|1,0,1]=3 46 B7R0.14 C=CC(O)[Si](C)(C)C R173983 [0,1,0,0,0,0|2,0,1]=4 47 B7R1.14 CC1(CCCN1)C CDS009329 [0,0,0,1,0,0|3,0,0]=4 48 B7R1.14 CC1(COCN1)C S942308 [0,0,0,1,0,0|2,0,0]=3 49 B7R1.16 OC1CC(C1)(F)F CDS024370 [0,0,0,1,0,0|3,0,0]=4 50 B7R1.21 CCCC1(CC1)N CBR00865 [0,0,0,1,0,0|3,0,0]=4 51 B7R1.26 CC(C)(C)C1CO1 CDS001448 [0,0,0,1,0,0|1,0,0]=2 52 B7R1.26 CC(C)(O)C1CC1 S671177 [0,0,0,1,0,0|3,0,0]=4 53 B4R0.2 CCCC[NH3+] S342920 [2,0,0,0,0,0|2,0,0]=4 54 B4R0.2 OCCCF CDS002969 [2,0,0,0,0,0|2,0,0]=4 55 B4R0.3 C[N+](C)(C)C S433764 [2,0,0,0,0,0|0,0,0]=2 56 B4R0.3 C[N+](C)(C)C S933384 [2,0,0,0,0,0|0,0,0]=2 57 B4R0.3 C[SH+](C)(C)O S311383 [2,0,0,0,0,0|1,0,0]=3 58 B6R0.1 C=C(CO)CCO T293814 [1,1,0,0,0,0|1,0,1]=4 59 B6R0.1 CC(CO)CCN CDS000171 [1,1,0,0,0,0|2,0,0]=4 60 B6R0.1 CCC(C)CCN CBR00385 [1,1,0,0,0,0|2,0,0]=4 61 B6R0.1 CCCC(C)NC PH018184 [1,1,0,0,0,0|2,0,0]=4 62 B6R0.1 CNC(C)CCO CBR02003 [1,1,0,0,0,0|1,0,0]=3 63 B6R0.1 C[C@@H](CO)CCN CDS000036 [1,1,0,0,0,0|2,0,0]=4 64 B6R0.3 CC(N)C(C)CO PH007413 [1,1,0,0,0,0|2,0,0]=4 65 B6R0.3 CC(O)C(C)CO S309524 [1,1,0,0,0,0|2,0,0]=4 66 B6R0.3 CN(C)C(=O)CO CDS023758 [1,1,0,0,0,0|0,0,2]=4 67 B6R0.3 C[C@@H](CO)N(C)C T260711 [1,1,0,0,0,0|0,0,1]=3 68 B6R0.4 C=CCCC(C)C R289442 [1,1,0,0,0,0|2,0,0]=4 69 B6R0.4 CC(C)OCCN CDS000373 [1,1,0,0,0,0|2,0,0]=4 70 B6R0.4 CCCC=C(C)C S419117 [1,1,0,0,0,0|2,0,0]=4 71 B6R0.4 CCCSC(C)C S570702 [1,1,0,0,0,0|2,0,0]=4 72 B6R0.4 CSCCC(C)C S351520 [1,1,0,0,0,0|1,1,0]=4 73 B6R0.4 [C-]#[N+]CCC(C)C CDS008921 [1,1,0,0,0,0|2,0,0]=4 74 B6R0.7 CC(C)C(C)(C)N CBR02430 [1,1,0,0,0,0|2,0,0]=4 75 B6R0.7 CC(N)C(C)(C)C CDS001121 [1,1,0,0,0,0|1,0,0]=3 76 B6R0.7 CC(O)C(C)(C)O S937371 [1,1,0,0,0,0|2,0,0]=4 77 B6R0.8 C(=O)C(C)(C)CO R425931 [1,1,0,0,0,0|1,0,1]=4 78 B6R0.8 C=CC(C)(C)CC R289280 [1,1,0,0,0,0|1,0,1]=4 79 B6R0.8 [NH2+](C)C(C)(C)CO R258164 [1,1,0,0,0,0|1,0,0]=3 80 B8R0.14 C(=C(\C)/[Si](C)(C)C)\CO T242896 [0,2,0,0,0,0|1,0,1]=4 81 B8R0.14 C=C(CCCl)[Sn](C)(C)C T231274 [0,2,0,0,0,0|2,0,0]=4 82 B8R0.14 C=C(CCO)[Si](C)(C)C T214426 [0,2,0,0,0,0|1,0,0]=3 83 B8R0.14 C=CCC(O)C(C)(C)C PH009857 [0,2,0,0,0,0|2,0,0]=4 84 B8R0.14 CCCC(=O)C(C)(C)C CDS021484 [0,2,0,0,0,0|2,0,0]=4 85 B8R0.14 CCCC(O)C(C)(C)C S431532 [0,2,0,0,0,0|2,0,0]=4 86 B8R0.21 C(=C/C(C)(C)C)\CCC S411981 [0,2,0,0,0,0|2,0,0]=4 87 B8R0.21 CC(C)(C)NCCCCl PH013728 [0,2,0,0,0,0|2,0,0]=4 88 B8R0.21 CC(C)(C)NCCCN CDS003052 [0,2,0,0,0,0|2,0,0]=4 89 B8R0.21 CC(C)(C)NCCCO PH012685 [0,2,0,0,0,0|1,0,0]=3 90 B8R0.21 CC(C)(C)OCCCCl S261300 [0,2,0,0,0,0|2,0,0]=4 91 B8R0.21 CC(C)(N)CNCCO S350753 [0,2,0,0,0,0|2,0,0]=4 92 B8R0.21 CC(C)(S)CCOC=O CDS012047 [0,2,0,0,0,0|2,0,0]=4 93 B8R0.21 CCCCSC(C)(C)C S570575 [0,2,0,0,0,0|2,0,0]=4 94 B8R0.21 C[Si](C)(C)C#CCCI T281700 [0,2,0,0,0,0|2,0,0]=4 95 B8R0.21 C[Si](C)(C)C#CCCN SYX00414 [0,2,0,0,0,0|2,0,0]=4 96 B8R0.21 C[Si](C)(C)CCCCO S827878 [0,2,0,0,0,0|1,0,0]=3 97 B8R0.21 C[Si](C)(C)OCCCO PH008513 [0,2,0,0,0,0|1,0,0]=3 98 B8R0.24 C=C(CO)CC(C)(C)C S448338 [0,2,0,0,0,0|1,0,0]=3 99 B8R0.24 C=C(CO)C[Si](C)(C)C T296767 [0,2,0,0,0,0|1,0,0]=3 100 B8R0.24 C=CC(C)CC(C)(C)C S431591 [0,2,0,0,0,0|2,0,0]=4 101 B8R0.24 CC(CS)CC(C)(C)C S663433 [0,2,0,0,0,0|1,1,0]=4 102 B8R0.25 CC(C)(CN)NCCO R397776 [0,2,0,0,0,0|1,0,0]=3 103 B8R0.29 CC(=O)CC[N+](C)(C)C S915017 [0,2,0,0,0,0|0,0,1]=3 104 B8R0.29 CC(C)(C)CCC(=O)O CDS009242 [0,2,0,0,0,0|1,0,0]=3 105 B8R0.29 CC(C)(C)OCC(=O)O CDS002729 [0,2,0,0,0,0|1,0,1]=4 106 B8R0.29 CC(C)(N)CCC(=O)O T160458 [0,2,0,0,0,0|2,0,0]=4 107 B8R0.27 C=C(C(C)O)[Si](C)(C)C T218960 [0,2,0,0,0,0|1,0,1]=4 108 B8R0.27 CC(C)C(O)C(C)(C)C S411973 [0,2,0,0,0,0|2,0,0]=4 109 B8R0.34 CC(C)CC(C)(C)CO S444049 [0,2,0,0,0,0|2,0,0]=4 110 B8R0.34 CNC(C)(C)CC(C)O PH007127 [0,2,0,0,0,0|1,0,0]=3 111 B8R0.12 CCCC(C)(C)C(=O)C PH011400 [0,2,0,0,0,0|2,0,0]=4 112 B8R0.13 CCC(C)C(C)(C)CO PH007256 [0,2,0,0,0,0|2,0,0]=4 113 B8R0.30 CC(C)(CCO)CCO PH007871 [0,2,0,0,0,0|1,0,0]=3 114 B8R0.17 CC(C)(CO)[N+](C)(C)C S988553 [0,2,0,0,0,0|0,0,0]=2 115 B6R1.2 CC1CCNC1 CDS003772 [1,0,0,1,0,0|2,0,0]=4 116 B6R1.2 C[C@@H]1CCNC1 CDS006861 [1,0,0,1,0,0|2,0,0]=4 117 B6R1.2 C[C@H]1CCNC1 CDS009158 [1,0,0,1,0,0|2,0,0]=4 118 B6R1.3 NCCC1CC1 CDS004252 [1,0,0,1,0,0|2,0,0]=4 119 B6R1.5 CN1CC(C1)N CDS007511 [1,0,0,1,0,0|1,0,1]=4 120 B6R1.5 NC1CC(C1)O CDS022886 [1,0,0,1,0,0|2,0,0]=4 121 B6R1.8 CC1OC1CO PH008155 [1,0,0,1,0,0|2,0,0]=4 122 B6R1.9 CC1CC1(C)C R289639 [1,0,0,1,0,0|2,0,0]=4 123 B6R1.11 CC(C)C1CC1 R289612 [1,0,0,1,0,0|2,0,0]=4 124 B8R1.51 CC1CNC(C1)(C)C CBR01529 [0,1,0,1,0,0|2,0,0]=4 125 B8R1.51 CC1NC(CO1)(C)C PH016117 [0,1,0,1,0,0|2,0,0]=4 126 B8R1.56 C[N+](C)(C)CC1CC1 S359912 [0,1,0,1,0,0|1,0,0]=3 127 B8R1.72 CC1(CCCCN1)C PH019129 [0,1,0,1,0,0|2,0,0]=4 128 B8R1.72 CC1(CCNCC1)C CDS012487 [0,1,0,1,0,0|2,0,0]=4 129 B8R1.72 CC1(CNCCN1)C CDS009230 [0,1,0,1,0,0|2,0,0]=4 130 B8R1.72 CC1(CNCCO1)C CDS019319 [0,1,0,1,0,0|2,0,0]=4 131 B8R1.72 C[N+]1(CCCCC1)C S347310 [0,1,0,1,0,0|1,0,0]=3 132 B8R1.72 C[Si]1(CCCCC1)C S584983 [0,1,0,1,0,0|2,0,0]=4 133 B8R1.77 CC1(CC1C(=O)O)C CDS011183 [0,1,0,1,0,0|1,0,1]=4 134 B8R1.19 CC1(CCOC1O)C T274453 [0,1,0,1,0,0|1,0,0]=3 135 B8R1.28 CC(C)(CO)[C@H]1CO1 T265160 [0,1,0,1,0,0|1,0,0]=3 136 B8R1.52 C[N+]1(CCCC1)CI S866067 [0,1,0,1,0,0|1,0,0]=3 137 B8R1.70 CC(C)(C)C1(CC1)N CBR01541 [0,1,0,1,0,0|2,0,0]=4