0 B8R0.8 C=C(CCC#N)C(=O)[O-] SC-78649 [0,0,0,0,0,0|3,0,1]=4 1 B8R0.8 CCCCC(Br)C(=O)Cl SC-66293 [0,0,0,0,0,0|2,0,1]=3 2 B8R0.8 CCCCC(C)C(=O)Cl SC-40559 [0,0,0,0,0,0|2,0,1]=3 3 B8R0.8 CCOC[C@H](N)C(=O)O SC-68756 [0,0,0,0,0,0|3,0,1]=4 4 B8R0.8 COCC[C@@H](N)C(=O)O SC-49310 [0,0,0,0,0,0|3,0,1]=4 5 B8R0.8 CSCC[C@H](N)C(=O)O SC-09744 [0,0,0,0,0,0|3,0,1]=4 6 B8R0.8 NCCC[C@H](N)C(=O)O SC-10386 [0,0,0,0,0,0|3,0,1]=4 7 B7R0.3 C=CC(=O)OCCO SC-18184 [1,0,0,0,0,0|2,0,1]=4 8 B7R0.3 CCCCC(=O)NN SC-59745 [1,0,0,0,0,0|2,0,0]=3 9 B7R0.3 CCOCC(=O)NN SC-59718 [1,0,0,0,0,0|3,0,0]=4 10 B7R0.3 CCSCS(=O)CC SC-51200 [1,0,0,0,0,0|2,0,1]=4 11 B7R0.3 CC\C=C\C(=O)OC SC-62851 [1,0,0,0,0,0|1,0,2]=4 12 B7R0.3 COC(=O)CCC#N SC-20469 [1,0,0,0,0,0|2,0,1]=4 13 B7R0.3 COC(=O)CCCBr SC-46963 [1,0,0,0,0,0|2,0,0]=3 14 B7R0.4 C#CCCOC(C)=O SC-50550 [1,0,0,0,0,0|1,0,2]=4 15 B7R0.4 C=C(C)CCCCBr SC-31361 [1,0,0,0,0,0|2,0,1]=4 16 B7R0.4 C=C(C)CCCCO SC-32201 [1,0,0,0,0,0|2,0,1]=4 17 B7R0.4 CC(=O)NCCCN SC-51489 [1,0,0,0,0,0|2,0,0]=3 18 B7R0.4 CCCCCC(C)O SC-81258 [1,0,0,0,0,0|0,0,3]=4 19 B7R0.4 CCC\C=C\C(=O)O SC-39942 [1,0,0,0,0,0|1,0,1]=3 20 B7R0.4 COC\C=C/C(C)=O SC-66315 [1,0,0,0,0,0|1,0,1]=3 21 B7R0.4 O=C(O)CCCCCl SC-57902 [1,0,0,0,0,0|2,0,1]=4 22 B7R0.5 C=C(Br)C(=O)OCC SC-88211 [1,0,0,0,0,0|2,0,1]=4 23 B7R0.5 CCC[C@@H](C)C(=O)O SC-43566 [1,0,0,0,0,0|2,0,1]=4 24 B7R0.5 CCC[C@H](C)C(=O)O SC-67603 [1,0,0,0,0,0|2,0,1]=4 25 B7R0.5 CCC[C@H](O)C(=O)O SC-21948 [1,0,0,0,0,0|1,0,2]=4 26 B7R0.5 CCOC(=O)C(N)=O SC-20979 [1,0,0,0,0,0|2,0,0]=3 27 B7R0.5 CCOC(=O)[C@@H](C)N SC-41949 [1,0,0,0,0,0|2,0,1]=4 28 B7R0.5 CCOC(=O)[C@H](C)N SC-50937 [1,0,0,0,0,0|2,0,1]=4 29 B7R0.5 CC\C=C(/C)C(=O)O SC-62297 [1,0,0,0,0,0|2,0,1]=4 30 B9R0.6 CCCC(C)C(N)C(=O)O SC-45629 [0,1,0,0,0,0|2,0,1]=4 31 B9R0.7 CC(=O)C(=O)OCC(C)C SC-26296 [0,1,0,0,0,0|1,0,0]=2 32 B9R0.7 CC(C)COC(=O)[C@H](C)Cl SC-13693 [0,1,0,0,0,0|2,0,1]=4 33 B9R0.8 COC(=O)[C@H](N)CCCN SC-10414 [0,1,0,0,0,0|2,0,1]=4 34 B9R0.8 CON(C)C(=O)CCCO SC-33563 [0,1,0,0,0,0|2,0,1]=4 35 B9R0.13 C=C[C@@H](CCCC)C(=O)O SC-31049 [0,1,0,0,0,0|2,0,1]=4 36 B9R0.13 C=C[C@H](CCCC)C(=O)O SC-31462 [0,1,0,0,0,0|2,0,1]=4 37 B9R0.13 CCCCC(CC)C(=O)[O-] SC-65231 [0,1,0,0,0,0|2,0,1]=4 38 B9R0.13 CCCCC(CC)C(=O)[O-] SC-79440 [0,1,0,0,0,0|2,0,1]=4 39 B9R0.13 CCO\C=C(/C#N)C(C)=O SC-34309 [0,1,0,0,0,0|2,0,1]=4 40 B9R0.47 CC[Se]CCC(N)C(=O)O SC-69852 [0,1,0,0,0,0|2,0,1]=4 41 B9R0.47 COCCC[C@@H](N)C(=O)O SC-49289 [0,1,0,0,0,0|2,0,1]=4 42 B9R0.47 CSCCC[C@@H](N)C(=O)O SC-49287 [0,1,0,0,0,0|2,0,1]=4 43 B9R0.47 FC(F)=C(F)CCCCBr SC-58096 [0,1,0,0,0,0|3,0,0]=4 44 B9R0.47 NCCCCC(N)C(=O)O SC-09671 [0,1,0,0,0,0|2,0,1]=4 45 B9R0.47 NCCCCC(N)C(=O)O SC-20502 [0,1,0,0,0,0|2,0,1]=4 46 B9R0.47 NCCCC[C@H](N)C(=O)O SC-22201 [0,1,0,0,0,0|2,0,1]=4 47 B9R1.5 CN1CCCCCC1=O SC-25345 [0,0,0,1,0,0|2,0,0]=3 48 B9R1.5 NC1CCCCNC1=O SC-23204 [0,0,0,1,0,0|2,0,1]=4 49 B9R1.5 O=C1CCCCCC1Cl SC-52650 [0,0,0,1,0,0|1,0,1]=3 50 B9R1.5 [C@H]1(N)CCCCNC1=O SC-47624 [0,0,0,1,0,0|2,0,1]=4 51 B9R1.6 CC(=O)C1CCCCC1 SC-28527 [0,0,0,1,0,0|1,0,1]=3 52 B9R1.6 NC(=O)C1CCCCN1 SC-13181 [0,0,0,1,0,0|2,0,1]=4 53 B9R1.6 O=C(Cl)C1=CCCCC1 SC-61008 [0,0,0,1,0,0|2,0,0]=3 54 B9R1.6 O=C(Cl)N1CCCCC1 SC-51596 [0,0,0,1,0,0|3,0,0]=4 55 B9R1.6 O=C(O)C1=CCCCC1 SC-44267 [0,0,0,1,0,0|2,0,0]=3 56 B9R1.6 O=C(O)C1=CCCCO1 SC-26873 [0,0,0,1,0,0|1,0,2]=4 57 B9R1.6 O=C(O)C1=CCCOC1 SC-35927 [0,0,0,1,0,0|3,0,0]=4 58 B9R1.6 O=C(O)C1=CCCSC1 SC-51278 [0,0,0,1,0,0|3,0,0]=4 59 B9R1.6 O=C(O)C1=CCNCC1 SC-49604 [0,0,0,1,0,0|3,0,0]=4 60 B9R1.6 O=C(O)C1=CCNCC1 SC-49605 [0,0,0,1,0,0|3,0,0]=4 61 B9R1.35 CC(=O)N1CC[C@@H](O)C1 SC-53670 [0,0,0,1,0,0|3,0,0]=4 62 B9R1.35 NC1C=C(C(=O)O)CC1 SC-51450 [0,0,0,1,0,0|3,0,0]=4 63 B9R1.40 CC1(Cl)CCCCC1=O SC-69954 [0,0,0,1,0,0|1,0,1]=3 64 B9R1.69 C[C@@H]1CN(C)C(=O)CN1 SC-29190 [0,0,0,1,0,0|3,0,0]=4 65 B9R1.69 C[C@H]1CN(C)C(=O)CN1 SC-28562 [0,0,0,1,0,0|3,0,0]=4 66 B9R1.112 N[C@@H](CC1CC1)C(=O)O SC-20866 [0,0,0,1,0,0|2,0,1]=4 67 B9R1.163 CC(=O)C1(O)CCCC1 SC-41840 [0,0,0,1,0,0|0,0,2]=3 68 B9R0.4 CCCC[C@@H](C)CC(=O)O SC-52448 [0,0,0,0,0,1|2,0,1]=4 69 B9R0.4 CCCOC(=O)CC(C)=O SC-65215 [0,0,0,0,0,1|1,0,0]=2 70 B6R0.1 C=CC(=O)OCC SC-19398 [2,0,0,0,0,0|1,0,1]=4 71 B6R0.1 COC(=O)CCCl SC-19880 [2,0,0,0,0,0|2,0,0]=4 72 B6R0.4 C=C(C)CCCBr SC-32900 [2,0,0,0,0,0|2,0,0]=4 73 B6R0.4 C=C(C)CCCO SC-14313 [2,0,0,0,0,0|2,0,0]=4 74 B6R0.4 CC(=O)NCCCl SC-49821 [2,0,0,0,0,0|2,0,0]=4 75 B6R0.4 CC(=O)OCCO SC-95931 [2,0,0,0,0,0|2,0,0]=4 76 B6R0.4 CC(C)=CCCO SC-52391 [2,0,0,0,0,0|2,0,0]=4 77 B6R0.4 CCCOC(=O)Cl SC-19101 [2,0,0,0,0,0|2,0,0]=4 78 B6R0.4 NC(=O)CCCO SC-12258 [2,0,0,0,0,0|2,0,0]=4 79 B6R0.4 O=C(O)CCCBr SC-02994 [2,0,0,0,0,0|1,0,1]=4 80 B6R0.6 CCCCNCC SC-47234 [2,0,0,0,0,0|1,0,1]=4 81 B6R0.6 COCCCC=O SC-88270 [2,0,0,0,0,0|1,0,1]=4 82 B6R0.3 CC(=O)C(=O)CBr SC-66140 [2,0,0,0,0,0|1,0,0]=3 83 B6R0.3 CCC(=O)C(C)Br SC-52663 [2,0,0,0,0,0|1,0,1]=4 84 B6R0.3 CCC(=O)N(C)C SC-46819 [2,0,0,0,0,0|2,0,0]=4 85 B8R0.1 CCOC(=O)CCCBr SC-03228 [1,1,0,0,0,0|1,0,1]=4 86 B8R0.1 CCOCC(=O)OCC SC-15789 [1,1,0,0,0,0|1,0,1]=4 87 B8R0.6 CNCCCC(=O)NC SC-51967 [1,1,0,0,0,0|1,0,0]=3 88 B8R0.9 CC(C)CCC(=O)NN SC-59735 [1,1,0,0,0,0|2,0,0]=4 89 B8R0.19 COC(=O)CC(O)CN SC-35083 [1,1,0,0,0,0|2,0,0]=4 90 B8R0.25 CCCCP(=O)(Cl)OC SC-51926 [1,1,0,0,0,0|2,0,0]=4 91 B8R0.7 CCCCCOC(=O)Cl SC-18359 [1,1,0,0,0,0|1,0,1]=4 92 B8R0.7 CCOCCOC(=O)Cl SC-51564 [1,1,0,0,0,0|2,0,0]=4 93 B8R0.7 COCCCOC(C)=O SC-26578 [1,1,0,0,0,0|1,0,0]=3 94 B8R0.7 CSCC\C=C\C(=O)O SC-39251 [1,1,0,0,0,0|1,0,1]=4 95 B8R0.21 CCCCOP(C)(=O)Cl SC-51943 [1,1,0,0,0,0|2,0,0]=4 96 B8R0.2 CON(C)C(=O)C(C)=O SC-33432 [1,1,0,0,0,0|2,0,0]=4 97 B8R0.23 CC(C)CC(=O)C(=O)[O-] SC-19264 [1,1,0,0,0,0|1,0,0]=3 98 B10R0.18 COC(=O)CC(=O)CCCCl SC-33511 [0,1,0,0,0,1|1,0,0]=3 99 B10R0.18 COCCC(=O)CC(=O)OC SC-27463 [0,1,0,0,0,1|1,0,0]=3 100 B10R0.40 CCCCC(=O)C(C)(C)C=O SC-31069 [0,2,0,0,0,0|0,0,1]=3 101 B10R0.19 CCCC[C@@H](N)C(=O)OCC SC-42237 [0,2,0,0,0,0|1,0,1]=4 102 B10R0.46 COC(=O)CC(=O)C(=O)OC SC-14481 [0,2,0,0,0,0|1,0,1]=4 103 B10R0.83 CCCCCC(N)C(=O)OC SC-51799 [0,2,0,0,0,0|1,0,1]=4 104 B8R1.2 O=CC1=CCCCC1 SC-49393 [1,0,0,1,0,0|1,0,0]=3 105 B8R1.3 CC1CCC(=O)CC1 SC-27685 [1,0,0,1,0,0|0,0,1]=3 106 B8R1.3 CC1CCC(=S)CC1 SC-42109 [1,0,0,1,0,0|0,1,1]=4 107 B8R1.3 O=C1CC[C@@H](O)CN1 SC-69872 [1,0,0,1,0,0|2,0,0]=4 108 B8R1.3 O=C1CC[C@H](O)CN1 SC-69873 [1,0,0,1,0,0|2,0,0]=4 109 B8R1.5 CC1CCCNC1=O SC-53234 [1,0,0,1,0,0|1,0,1]=4 110 B8R1.5 CN1CCCCC1=O SC-A3437 [1,0,0,1,0,0|1,0,0]=3 111 B8R1.5 NC1CCCCC1=O SC-45445 [1,0,0,1,0,0|1,0,1]=4 112 B8R1.5 NN1CCCCC1=O SC-21321 [1,0,0,1,0,0|2,0,0]=4 113 B8R1.22 O=C1C=CCCCN1 SC-50475 [1,0,0,1,0,0|1,0,1]=4 114 B8R1.38 COC(=O)C1CCN1 SC-65847 [1,0,0,1,0,0|2,0,0]=4 115 B8R1.38 NNC(=O)C1CCC1 SC-41814 [1,0,0,1,0,0|2,0,0]=4 116 B8R1.50 CC1=C(O)CCC1=O SC-66441 [1,0,0,1,0,0|1,0,1]=4 117 B8R1.4 C[C@H]1CCCC(=O)N1 SC-51761 [1,0,0,1,0,0|1,0,1]=4 118 B8R1.6 COCC1CC(=O)C1 SC-65908 [1,0,0,1,0,0|1,0,1]=4 119 B8R1.7 CC(=O)C1CCCC1 SC-34558 [1,0,0,1,0,0|0,0,1]=3 120 B8R1.7 O=C(Cl)C1=CCCC1 SC-61003 [1,0,0,1,0,0|1,0,1]=4 121 B8R1.34 CC(=O)NC1CNC1 SC-48410 [1,0,0,1,0,0|2,0,0]=4 122 B8R1.34 O=C(O)C=C1CCC1 SC-67620 [1,0,0,1,0,0|1,0,1]=4 123 B8R1.35 CC(=O)OCC1CO1 SC-74435 [1,0,0,1,0,0|2,0,0]=4 124 B8R1.35 O=C(O)\C=C\C1CC1 SC-39438 [1,0,0,1,0,0|1,0,1]=4 125 B10R1.18 O=C(O)C=C1CCCCC1 SC-36662 [0,0,0,1,0,1|2,0,0]=4 126 B10R1.23 CC(Br)C(=O)N1CCCC1 SC-51557 [0,1,0,1,0,0|1,0,1]=4 127 B10R1.23 CN(C)C(=O)C1CCCO1 SC-88535 [0,1,0,1,0,0|2,0,0]=4 128 B10R1.13 CC(=O)N1CCC(Cl)CC1 SC-69628 [0,1,0,1,0,0|2,0,0]=4 129 B10R1.13 CC(=O)N1CCC(I)CC1 SC-52662 [0,1,0,1,0,0|2,0,0]=4 130 B10R1.13 CC(=O)N1CCC(N)CC1 SC-23551 [0,1,0,1,0,0|2,0,0]=4 131 B10R1.15 COC(=O)C1CCCCC1 SC-16218 [0,1,0,1,0,0|1,0,1]=4 132 B10R1.15 COC(=O)C1CCCCN1 SC-04400 [0,1,0,1,0,0|1,0,1]=4 133 B10R1.15 COC(=O)[C@H]1CCCCN1 SC-32893 [0,1,0,1,0,0|1,0,1]=4 134 B10R1.15 NNC(=O)C1=CCCCC1 SC-39715 [0,1,0,1,0,0|2,0,0]=4 135 B10R1.182 CON(C)C(=O)C1CCC1 SC-34415 [0,1,0,1,0,0|1,0,1]=4 136 B10R1.411 CC1(C(=O)CBr)CCCC1 SC-54081 [0,1,0,1,0,0|1,0,1]=4 137 B10R1.461 CON(C)C(=O)C1CC1C SC-33424 [0,1,0,1,0,0|1,0,1]=4 138 B10R1.204 C=C(CC1CCC1)C(=O)O SC-31103 [0,1,0,1,0,0|2,0,0]=4