0 B8R0.28 C=C(C)CCCC(=O)O SC-31519 [0,0,0,0,0,0|0,0,2]=2 1 B8R0.28 CC(=O)C\C=C\C(=O)O SC-70039 [0,0,0,0,0,0|1,0,3]=4 2 B8R0.28 CN(C)CCCC(=N)N SC-42054 [0,0,0,0,0,0|3,0,0]=3 3 B8R0.28 N=C(N)NCCC(=O)O SC-46005 [0,0,0,0,0,0|3,0,1]=4 4 B8R0.28 NC(=O)CCCC(N)=O SC-87623 [0,0,0,0,0,0|3,0,1]=4 5 B8R0.28 O=C(O)CCCC(=O)O SC-16305 [0,0,0,0,0,0|2,0,1]=3 6 B8R0.28 O=C(O)CSCC(=O)O SC-19008 [0,0,0,0,0,0|3,0,1]=4 7 B7R0.4 C=C(C)CCCCBr SC-31361 [1,0,0,0,0,0|3,0,0]=4 8 B7R0.4 C=C(C)CCCCO SC-32201 [1,0,0,0,0,0|0,0,3]=4 9 B7R0.4 C=CCOCC(=O)O SC-35140 [1,0,0,0,0,0|1,0,2]=4 10 B7R0.4 CC(=O)NCCCN SC-51489 [1,0,0,0,0,0|3,0,0]=4 11 B7R0.4 CCCCCC(C)O SC-81258 [1,0,0,0,0,0|1,0,1]=3 12 B7R0.4 CCC\C=C\C(=O)O SC-39942 [1,0,0,0,0,0|0,0,2]=3 13 B7R0.4 CCOCCC(=N)N SC-40468 [1,0,0,0,0,0|3,0,0]=4 14 B7R0.4 CN(C)CCCCBr SC-48986 [1,0,0,0,0,0|2,0,1]=4 15 B7R0.4 N=C(N)CCCCCl SC-55396 [1,0,0,0,0,0|3,0,0]=4 16 B7R0.4 O=C(O)CCCCCl SC-57902 [1,0,0,0,0,0|1,0,0]=2 17 B9R0.1 CC(C)CCCC(C)NN SC-38599 [0,1,0,0,0,0|2,0,1]=4 18 B9R0.1 COC(=O)CSCC(C)=O SC-68739 [0,1,0,0,0,0|2,0,1]=4 19 B9R0.7 C=C(C)CC[C@H](C)C(=O)O SC-31724 [0,1,0,0,0,0|0,0,2]=3 20 B9R0.7 CC(=O)C(=O)OCC(C)C SC-26296 [0,1,0,0,0,0|2,0,1]=4 21 B9R0.7 CC(C)OC[C@H](N)C(=O)O SC-68757 [0,1,0,0,0,0|1,0,0]=2 22 B9R0.7 CC(CCC(=O)O)C(=O)O SC-53293 [0,1,0,0,0,0|2,0,1]=4 23 B9R0.7 N[C@H](CCC(=O)O)C(=O)O SC-49449 [0,1,0,0,0,0|2,0,1]=4 24 B9R0.53 CC(C)OC(=O)CC(=O)O SC-31951 [0,1,0,0,0,0|1,0,1]=3 25 B9R0.56 C=C(C)CCC[Si](C)(C)C SC-34201 [0,1,0,0,0,0|2,1,0]=4 26 B9R0.56 CC(=O)OCC[N+](C)(C)C SC-15132 [0,1,0,0,0,0|3,0,0]=4 27 B9R0.56 CC(C)(C)OCCC(=O)O SC-62531 [0,1,0,0,0,0|1,0,0]=2 28 B9R0.56 CC(F)(F)CCCC(=O)O SC-34273 [0,1,0,0,0,0|1,0,0]=2 29 B9R1.35 CC(=O)N1CC[C@@H](O)C1 SC-53670 [0,0,0,1,0,0|3,0,0]=4 30 B9R1.35 NC(=O)[C@@H]1C[C@@H](O)CN1 SC-88090 [0,0,0,1,0,0|3,0,0]=4 31 B9R1.35 NC1C=C(C(=O)O)CC1 SC-51450 [0,0,0,1,0,0|1,0,2]=4 32 B9R1.35 N[C@@H]1CN[C@H](C(=O)O)C1 SC-23776 [0,0,0,1,0,0|2,0,0]=3 33 B9R1.35 N[C@H]1CN[C@H](C(=O)O)C1 SC-24076 [0,0,0,1,0,0|2,0,0]=3 34 B9R1.35 O=C(O)C1CC(O)CN1 SC-29014 [0,0,0,1,0,0|2,0,0]=3 35 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 SC-52573 [0,0,0,1,0,0|2,0,0]=3 36 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CO1 SC-66730 [0,0,0,1,0,0|2,0,0]=3 37 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 SC-52422 [0,0,0,1,0,0|2,0,0]=3 38 B9R1.35 O=C1CN[C@H](C(=O)O)C1 SC-22199 [0,0,0,1,0,0|2,0,1]=4 39 B7R0.6 CC(=O)CCN(C)C SC-53808 [0,0,0,0,1,0|2,0,0]=3 40 B7R0.6 CC(=O)OCC(=O)O SC-65254 [0,0,0,0,1,0|2,0,1]=4 41 B7R0.6 CC(C)CCC(C)O SC-53086 [0,0,0,0,1,0|1,0,1]=3 42 B7R0.6 CN(C)CCC(=N)N SC-40941 [0,0,0,0,1,0|3,0,0]=4 43 B7R0.6 CN(C)CCC(=O)O SC-84792 [0,0,0,0,1,0|1,0,0]=2 44 B9R0.55 CN(C)CCNCC(=O)O SC-48750 [0,0,0,0,0,1|1,0,0]=2 45 B6R0.4 C=C(C)CCCO SC-14313 [2,0,0,0,0,0|0,0,2]=4 46 B6R0.4 C=COCC(C)C SC-19102 [2,0,0,0,0,0|1,0,1]=4 47 B6R0.4 CC(Br)CCCBr SC-74609 [2,0,0,0,0,0|2,0,0]=4 48 B6R0.4 CC(C)=CCCO SC-52391 [2,0,0,0,0,0|0,0,2]=4 49 B6R0.4 CC(C)CCCO SC-67391 [2,0,0,0,0,0|0,0,0]=2 50 B6R0.4 CC(C)OCCN SC-47370 [2,0,0,0,0,0|2,0,0]=4 51 B6R0.4 CCCCB(O)O SC-04512 [2,0,0,0,0,0|1,0,1]=4 52 B6R0.4 CCCNC(C)C SC-50047 [2,0,0,0,0,0|1,0,1]=4 53 B6R0.4 CCCOC(=O)Cl SC-19101 [2,0,0,0,0,0|2,0,0]=4 54 B6R0.4 N#CCCC(=O)O SC-49854 [2,0,0,0,0,0|1,0,1]=4 55 B6R0.4 NC(=O)CCCO SC-12258 [2,0,0,0,0,0|2,0,0]=4 56 B6R0.4 O=C(O)CCCBr SC-02994 [2,0,0,0,0,0|1,0,0]=3 57 B6R0.6 C=CCCCC=O SC-34117 [2,0,0,0,0,0|0,0,2]=4 58 B6R0.6 C=CCCCCN SC-34878 [2,0,0,0,0,0|2,0,0]=4 59 B6R0.6 C=CCCCCO SC-44461 [2,0,0,0,0,0|2,0,0]=4 60 B6R0.6 C=CCCCC[Zn+] SC-89392 [2,0,0,0,0,0|2,0,0]=4 61 B6R0.6 CCCCCCO SC-22734 [2,0,0,0,0,0|0,0,1]=3 62 B6R0.6 CCCNCCO SC-20196 [2,0,0,0,0,0|1,0,1]=4 63 B6R0.6 COCCCC=O SC-88270 [2,0,0,0,0,0|1,0,0]=3 64 B8R0.6 C=CC(O)CCCCC SC-18002 [1,1,0,0,0,0|1,0,1]=4 65 B8R0.6 C=CCCC[C@@H](C)CO SC-31639 [1,1,0,0,0,0|1,0,0]=3 66 B8R0.6 C=CCCC[C@H](C)CO SC-31524 [1,1,0,0,0,0|1,0,0]=3 67 B8R0.6 CNCCCC(=O)NC SC-51967 [1,1,0,0,0,0|2,0,0]=4 68 B8R0.7 C=CCCOCC(=O)O SC-35006 [1,1,0,0,0,0|0,0,2]=4 69 B8R0.7 CC(C)CCCCCBr SC-22592 [1,1,0,0,0,0|1,0,1]=4 70 B8R0.7 CC(C)CCCCCO SC-51101 [1,1,0,0,0,0|0,0,1]=3 71 B8R0.7 CCCCCOC(=O)Cl SC-18359 [1,1,0,0,0,0|1,0,0]=3 72 B8R0.7 CCOCCOC(=O)Cl SC-51564 [1,1,0,0,0,0|2,0,0]=4 73 B8R0.7 COCCCOC(C)=O SC-26578 [1,1,0,0,0,0|2,0,0]=4 74 B8R0.7 COCOCCC(=O)O SC-50551 [1,1,0,0,0,0|1,0,0]=3 75 B8R0.7 CSCC\C=C\C(=O)O SC-39251 [1,1,0,0,0,0|0,0,2]=4 76 B8R0.8 CCCCC(Br)C(=O)Cl SC-66293 [1,1,0,0,0,0|1,0,0]=3 77 B8R0.8 CCCCC(C)C(=O)Cl SC-40559 [1,1,0,0,0,0|1,0,0]=3 78 B8R0.8 CCOC[C@H](N)C(=O)O SC-68756 [1,1,0,0,0,0|1,0,0]=3 79 B8R0.8 COCC[C@@H](N)C(=O)O SC-49310 [1,1,0,0,0,0|1,0,0]=3 80 B8R0.8 CSCC[C@H](N)C(=O)O SC-09744 [1,1,0,0,0,0|1,0,0]=3 81 B8R0.8 NCCC[C@H](N)C(=O)O SC-10386 [1,1,0,0,0,0|1,0,0]=3 82 B8R0.9 CC(C)CCC(C)NN SC-39161 [1,1,0,0,0,0|2,0,0]=4 83 B8R0.9 NCC(=O)CCC(=O)O SC-52394 [1,1,0,0,0,0|1,0,1]=4 84 B8R0.21 C=CCCC[Si](C)(C)C SC-34267 [1,1,0,0,0,0|1,1,0]=4 85 B8R0.23 CC(C)CC(=O)C(=O)[O-] SC-19264 [0,1,0,0,1,0|0,0,2]=4 86 B8R0.23 CC(C)CC(O)C(=O)O SC-25183 [0,1,0,0,1,0|0,0,0]=2 87 B8R0.23 CC(C)C[C@H](Cl)C(=O)O SC-08865 [0,1,0,0,1,0|0,0,0]=2 88 B8R0.23 NC(CC(F)F)C(=O)O SC-48857 [0,1,0,0,1,0|2,0,0]=4 89 B8R0.29 CC(F)(F)CCC(=O)O SC-34612 [0,1,0,0,1,0|1,0,0]=3 90 B10R0.96 CN(C)NC(=O)CCC(=O)O SC-18862 [0,1,0,0,0,1|1,0,1]=4 91 B10R0.57 CON(C)C(=O)CCC(=O)O SC-32993 [0,2,0,0,0,0|1,0,1]=4 92 B10R0.82 COC(=O)CCC(N)C(=O)O SC-51054 [0,2,0,0,0,0|1,0,1]=4 93 B10R0.92 NC(CCC(F)(F)F)C(=O)O SC-69616 [0,2,0,0,0,0|2,0,0]=4 94 B10R0.31 CC(C)(C)CC(N)CC(N)=O SC-59259 [0,2,0,0,0,0|1,0,0]=3 95 B10R0.31 C[N+](C)(C)CC(O)CC(=O)[O-] SC-25562 [0,2,0,0,0,0|1,0,1]=4 96 B10R0.31 C[N+](C)(C)CC(O)CC(=O)[O-] SC-78938 [0,2,0,0,0,0|1,0,1]=4 97 B10R0.31 C[N+](C)(C)C[C@H](O)CC(=O)[O-] SC-05198 [0,2,0,0,0,0|1,0,1]=4 98 B10R0.70 CC(C)CC(CN)CC(=O)O SC-27419 [0,2,0,0,0,0|0,0,0]=2 99 B8R1.1 CC1CCC(NN)C1 SC-41314 [1,0,0,1,0,0|2,0,0]=4 100 B8R1.1 CC1CCC(NN)C1 SC-41791 [1,0,0,1,0,0|2,0,0]=4 101 B8R1.1 O=C1NC[C@H](CCl)O1 SC-73276 [1,0,0,1,0,0|2,0,0]=4 102 B8R1.4 CC1CCCC(N)C1 SC-22240 [1,0,0,1,0,0|1,0,1]=4 103 B8R1.4 C[C@H]1CCCC(=O)N1 SC-51761 [1,0,0,1,0,0|1,0,0]=3 104 B8R1.4 N[C@H]1CCC[C@H](O)C1 SC-43596 [1,0,0,1,0,0|1,0,1]=4 105 B8R1.6 COCC1CC(=O)C1 SC-65908 [1,0,0,1,0,0|2,0,0]=4 106 B8R1.7 CC(=O)C1CCCC1 SC-34558 [1,0,0,1,0,0|1,0,0]=3 107 B8R1.7 CC(O)C1CCCC1 SC-22091 [1,0,0,1,0,0|1,0,1]=4 108 B8R1.7 N=C(N)C1CCCC1 SC-12462 [1,0,0,1,0,0|2,0,0]=4 109 B8R1.7 NC(=O)[C@H]1CCCN1 SC-09817 [1,0,0,1,0,0|2,0,0]=4 110 B8R1.7 O=C(Cl)C1CCOC1 SC-45575 [1,0,0,1,0,0|2,0,0]=4 111 B8R1.7 O=C(O)[C@H]1CCOC1 SC-25181 [1,0,0,1,0,0|1,0,0]=3 112 B8R1.7 OC(=S)[C@H]1CCCO1 SC-28168 [1,0,0,1,0,0|1,1,0]=4 113 B8R1.7 [C@@H]1(C(N)=O)CCCN1 SC-09818 [1,0,0,1,0,0|2,0,0]=4 114 B8R1.19 CC1(C)CONC1=O SC-83064 [1,0,0,1,0,0|2,0,0]=4 115 B8R1.34 O=C(O)C=C1CCC1 SC-67620 [1,0,0,1,0,0|0,0,2]=4 116 B8R1.35 O=C(O)\C=C\C1CC1 SC-39438 [1,0,0,1,0,0|0,0,2]=4 117 B8R1.3 CC1CCC(=O)CC1 SC-27685 [0,0,0,1,1,0|1,0,0]=3 118 B8R1.3 CC1CCC(=S)CC1 SC-42109 [0,0,0,1,1,0|1,1,0]=4 119 B8R1.3 O=C1CC[C@@H](O)CN1 SC-69872 [0,0,0,1,1,0|2,0,0]=4 120 B8R1.3 O=C1CC[C@H](O)CN1 SC-69873 [0,0,0,1,1,0|2,0,0]=4 121 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 SC-70419 [0,0,0,1,1,0|1,0,0]=3 122 B8R1.23 O=C(O)[C@H]1C[C@H](O)C1 SC-96294 [0,0,0,1,1,0|1,0,0]=3 123 B8R1.77 [C@H]1(C(N)=O)CC1(C)C SC-06657 [0,0,0,1,1,0|1,0,0]=3 124 B10R1.113 CC(C)C1CC(=O)CCN1 SC-35112 [0,0,0,1,0,1|1,0,0]=3 125 B10R1.113 CC1CCCC(C(=O)O)C1 SC-52381 [0,0,0,1,0,1|0,0,0]=2 126 B10R1.113 O=C(O)C1CNCC(O)C1 SC-26985 [0,0,0,1,0,1|1,0,0]=3 127 B10R1.113 O=C(O)C1CNCC(O)C1 SC-51267 [0,0,0,1,0,1|1,0,0]=3 128 B10R1.128 CN1(C)CCC[C@H]1C(=O)O SC-20792 [0,0,0,1,0,1|1,0,0]=3 129 B10R1.13 CC(=O)C1CCN(C)CC1 SC-48905 [0,1,0,1,0,0|2,0,0]=4 130 B10R1.13 CC(C)N1CCC(=O)CC1 SC-05143 [0,1,0,1,0,0|2,0,0]=4 131 B10R1.13 CN1CCC(C(=O)O)CC1 SC-26675 [0,1,0,1,0,0|1,0,0]=3 132 B10R1.13 O=C(O)[C@@H]1CC[C@@H](O)CN1 SC-51226 [0,1,0,1,0,0|1,0,0]=3 133 B10R1.13 O=C(O)[C@H]1CC[C@@H](O)CC1 SC-51087 [0,1,0,1,0,0|1,0,0]=3 134 B10R1.31 N#CC1CNC(C(=O)O)C1 SC-29107 [0,1,0,1,0,0|1,0,1]=4 135 B10R1.359 CC1(C)OCC(C(=O)O)O1 SC-85323 [0,1,0,1,0,0|1,0,0]=3 136 B10R1.359 O=C(O)C1CCS(=O)(=O)C1 SC-29409 [0,1,0,1,0,0|2,0,0]=4 137 B10R1.59 NC1CS(=O)CC1C(=O)O SC-29867 [0,1,0,1,0,0|2,0,0]=4 138 B10R1.55 CC(C)(C)[C@H]1COC(=O)N1 SC-52397 [0,1,0,1,0,0|2,0,0]=4 139 B10R1.347 O=C(O)C1CC1C(F)(F)F SC-69846 [0,1,0,1,0,0|2,0,0]=4 140 B10R2.357 O=C(O)C1CC2CC2C1 SC-25088 [0,0,0,2,0,0|0,0,0]=2 141 B10R2.357 [C@H]12C[C@H]1C[C@@H](C(N)=O)N2 SC-84318 [0,0,0,2,0,0|2,0,0]=4 142 B10R2.534 O=C1COCC2(CC2)N1 SC-88247 [0,0,0,2,0,0|2,0,0]=4 143 B6R0.2 C=C(C)CC(=O)O SC-31698 [0,0,0,0,2,0|0,0,2]=4 144 B6R0.2 CC(C)CC(=N)N SC-40541 [0,0,0,0,2,0|2,0,0]=4 145 B6R0.2 CC(O)CC(=O)[O-] SC-85388 [0,0,0,0,2,0|1,0,1]=4 146 B6R0.2 CN(C)CC(=O)O SC-09555 [0,0,0,0,2,0|1,0,0]=3 147 B6R0.2 CN(C)CC(=O)O SC-51828 [0,0,0,0,2,0|1,0,0]=3 148 B6R0.2 [C@@H](C)(N)CC(=O)O SC-26546 [0,0,0,0,2,0|1,0,0]=3