0 B8R0.8 C=C(CCC#N)C(=O)[O-] SC-78649 [0,0,0,0,0,0|1,0,3]=4 1 B8R0.8 CCCCC(Br)C(=O)Cl SC-66293 [0,0,0,0,0,0|3,0,1]=4 2 B8R0.8 CCCCC(C)C(=O)Cl SC-40559 [0,0,0,0,0,0|3,0,1]=4 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|1,0,1]=2 7 B7R0.3 C=CC(=O)OCCO SC-18184 [1,0,0,0,0,0|3,0,0]=4 8 B7R0.3 CCCCC(=O)NN SC-59745 [1,0,0,0,0,0|3,0,0]=4 9 B7R0.3 COC(=O)CCCBr SC-46963 [1,0,0,0,0,0|3,0,0]=4 10 B7R0.4 CC(=O)NCCCN SC-51489 [1,0,0,0,0,0|2,0,0]=3 11 B7R0.4 CCC\C=C\C(=O)O SC-39942 [1,0,0,0,0,0|1,0,1]=3 12 B7R0.4 O=C(O)CCCCCl SC-57902 [1,0,0,0,0,0|1,0,1]=3 13 B7R0.5 C=C(Br)C(=O)OCC SC-88211 [1,0,0,0,0,0|3,0,0]=4 14 B7R0.5 CCC[C@@H](C)C(=O)O SC-43566 [1,0,0,0,0,0|1,0,1]=3 15 B7R0.5 CCC[C@H](C)C(=O)O SC-67603 [1,0,0,0,0,0|1,0,1]=3 16 B7R0.5 CCC[C@H](O)C(=O)O SC-21948 [1,0,0,0,0,0|0,0,2]=3 17 B7R0.5 CCOC(=O)C(N)=O SC-20979 [1,0,0,0,0,0|2,0,0]=3 18 B7R0.5 CC\C=C(/C)C(=O)O SC-62297 [1,0,0,0,0,0|1,0,1]=3 19 B7R0.5 COCC(N)C(=O)O SC-43930 [1,0,0,0,0,0|2,0,1]=4 20 B7R0.5 NCCC(O)C(=O)O SC-16245 [1,0,0,0,0,0|0,0,2]=3 21 B7R0.5 OCC\C(Br)=C(\O)Br SC-19489 [1,0,0,0,0,0|3,0,0]=4 22 B9R0.6 CCCC(C)C(N)C(=O)O SC-45629 [0,1,0,0,0,0|2,0,1]=4 23 B9R0.7 CC(=O)C(=O)OCC(C)C SC-26296 [0,1,0,0,0,0|3,0,0]=4 24 B9R0.8 COC(=O)[C@H](N)CCCN SC-10414 [0,1,0,0,0,0|1,0,1]=3 25 B9R0.8 CON(C)C(=O)CCCO SC-33563 [0,1,0,0,0,0|3,0,0]=4 26 B9R0.13 C=C[C@@H](CCCC)C(=O)O SC-31049 [0,1,0,0,0,0|2,0,1]=4 27 B9R0.13 C=C[C@H](CCCC)C(=O)O SC-31462 [0,1,0,0,0,0|2,0,1]=4 28 B9R0.47 C=CCCC[C@@H](C)C(=O)O SC-31827 [0,1,0,0,0,0|2,0,1]=4 29 B9R0.47 C=CCCC[C@H](C)C(=O)O SC-31058 [0,1,0,0,0,0|2,0,1]=4 30 B9R0.47 CC[Se]CCC(N)C(=O)O SC-69852 [0,1,0,0,0,0|2,0,1]=4 31 B9R0.47 COCCC[C@@H](N)C(=O)O SC-49289 [0,1,0,0,0,0|2,0,1]=4 32 B9R0.47 CSCCC[C@@H](N)C(=O)O SC-49287 [0,1,0,0,0,0|2,0,1]=4 33 B9R0.47 NCCCCC(N)C(=O)O SC-09671 [0,1,0,0,0,0|1,0,1]=3 34 B9R0.47 NCCCCC(N)C(=O)O SC-20502 [0,1,0,0,0,0|1,0,1]=3 35 B9R0.47 NCCCC[C@H](N)C(=O)O SC-22201 [0,1,0,0,0,0|1,0,1]=3 36 B9R1.6 O=C(Cl)C1=CCCCC1 SC-61008 [0,0,0,1,0,0|3,0,0]=4 37 B9R1.6 O=C(O)C1=CCCCC1 SC-44267 [0,0,0,1,0,0|2,0,0]=3 38 B9R1.6 O=C(O)C1=CCCCO1 SC-26873 [0,0,0,1,0,0|1,0,2]=4 39 B9R1.6 O=C(O)C1=CCCOC1 SC-35927 [0,0,0,1,0,0|2,0,1]=4 40 B9R1.6 O=C(O)C1=CCCSC1 SC-51278 [0,0,0,1,0,0|2,0,1]=4 41 B9R1.6 O=C(O)C1=CCNCC1 SC-49604 [0,0,0,1,0,0|3,0,0]=4 42 B9R1.6 O=C(O)C1=CCNCC1 SC-49605 [0,0,0,1,0,0|3,0,0]=4 43 B9R1.6 O=C(O)C1CCCNC1 SC-04844 [0,0,0,1,0,0|1,0,1]=3 44 B9R1.6 O=C(O)C1CNCCN1 SC-03270 [0,0,0,1,0,0|2,0,1]=4 45 B9R1.6 O=C(O)C1CNCCS1 SC-49246 [0,0,0,1,0,0|2,0,1]=4 46 B9R1.6 O=C(O)[C@@H]1CCCNN1 SC-49631 [0,0,0,1,0,0|1,0,1]=3 47 B9R1.6 [C@H]1(C(=O)O)CCCNC1 SC-05572 [0,0,0,1,0,0|1,0,1]=3 48 B9R1.35 NC1C=C(C(=O)O)CC1 SC-51450 [0,0,0,1,0,0|1,0,0]=2 49 B9R1.35 N[C@@H]1CN[C@H](C(=O)O)C1 SC-23776 [0,0,0,1,0,0|2,0,1]=4 50 B9R1.35 N[C@H]1CN[C@H](C(=O)O)C1 SC-24076 [0,0,0,1,0,0|2,0,1]=4 51 B9R1.112 N[C@@H](CC1CC1)C(=O)O SC-20866 [0,0,0,1,0,0|2,0,1]=4 52 B9R1.163 CC1(C(=O)O)CCCN1 SC-26124 [0,0,0,1,0,0|1,0,1]=3 53 B9R1.163 C[C@@]1(C(N)=O)CCCN1 SC-88089 [0,0,0,1,0,0|2,0,1]=4 54 B9R0.4 CCCC[C@@H](C)CC(=O)O SC-52448 [0,0,0,0,0,1|2,0,1]=4 55 B9R0.4 CCCOC(=O)CC(C)=O SC-65215 [0,0,0,0,0,1|3,0,0]=4 56 B6R0.1 C=CC(=O)OCC SC-19398 [2,0,0,0,0,0|2,0,0]=4 57 B6R0.4 C=C(C)CCCBr SC-32900 [2,0,0,0,0,0|2,0,0]=4 58 B6R0.4 C=C(C)CCCO SC-14313 [2,0,0,0,0,0|2,0,0]=4 59 B6R0.4 CCCOC(=O)Cl SC-19101 [2,0,0,0,0,0|2,0,0]=4 60 B6R0.4 N#CCCC(=O)O SC-49854 [2,0,0,0,0,0|0,0,2]=4 61 B6R0.4 NC(=O)CCCO SC-12258 [2,0,0,0,0,0|2,0,0]=4 62 B6R0.4 O=C(O)CCCBr SC-02994 [2,0,0,0,0,0|1,0,0]=3 63 B6R0.6 C=CCCCCN SC-34878 [2,0,0,0,0,0|1,0,1]=4 64 B6R0.3 CC(=O)C(=O)CBr SC-66140 [2,0,0,0,0,0|2,0,0]=4 65 B6R0.3 CCC(C)C(=O)O SC-22738 [2,0,0,0,0,0|1,0,1]=4 66 B6R0.3 CCC(Cl)C(=O)O SC-96228 [2,0,0,0,0,0|1,0,1]=4 67 B6R0.3 CCC(O)C(=O)O SC-88990 [2,0,0,0,0,0|0,0,2]=4 68 B6R0.3 CC[C@@H](Cl)C(=O)O SC-52915 [2,0,0,0,0,0|1,0,1]=4 69 B6R0.3 NC[C@H](N)C(=O)O SC-10204 [2,0,0,0,0,0|1,0,1]=4 70 B6R0.3 [C@H](O)(CN)C(=O)O SC-18368 [2,0,0,0,0,0|0,0,2]=4 71 B8R0.6 CNCCCC(=O)NC SC-51967 [1,1,0,0,0,0|2,0,0]=4 72 B8R0.19 COC(=O)CC(O)CN SC-35083 [1,1,0,0,0,0|2,0,0]=4 73 B8R0.7 CSCC\C=C\C(=O)O SC-39251 [1,1,0,0,0,0|1,0,1]=4 74 B8R0.2 CCC(C)C(N)C(=O)O SC-09608 [1,1,0,0,0,0|1,0,1]=4 75 B8R0.2 CON(C)C(=O)C(=O)O SC-32952 [1,1,0,0,0,0|2,0,0]=4 76 B8R0.2 [C@H](C)(CC)[C@@H](N)C(=O)O SC-09606 [1,1,0,0,0,0|1,0,1]=4 77 B8R0.15 C=C[C@@H](CCC)C(=O)O SC-31733 [1,1,0,0,0,0|1,0,1]=4 78 B8R0.15 C=C[C@H](CCC)C(=O)O SC-32017 [1,1,0,0,0,0|1,0,1]=4 79 B8R0.23 CC(C)CC(=O)C(=O)[O-] SC-19264 [1,1,0,0,0,0|0,0,1]=3 80 B8R0.23 CC(C)CC(O)C(=O)O SC-25183 [1,1,0,0,0,0|0,0,2]=4 81 B8R0.23 CC(C)C[C@H](Cl)C(=O)O SC-08865 [1,1,0,0,0,0|1,0,1]=4 82 B10R0.18 COC(=O)CC(=O)CCCCl SC-33511 [0,1,0,0,0,1|1,0,0]=3 83 B10R0.18 COCCC(=O)CC(=O)OC SC-27463 [0,1,0,0,0,1|2,0,0]=4 84 B8R1.2 O=CC1=CCCCC1 SC-49393 [1,0,0,1,0,0|2,0,0]=4 85 B8R1.5 CC1CCCNC1=O SC-53234 [1,0,0,1,0,0|1,0,1]=4 86 B8R1.38 COC(=O)C1CCN1 SC-65847 [1,0,0,1,0,0|2,0,0]=4 87 B8R1.7 NC(=O)[C@H]1CCCN1 SC-09817 [1,0,0,1,0,0|1,0,1]=4 88 B8R1.7 O=C(Cl)C1=CCCC1 SC-61003 [1,0,0,1,0,0|2,0,0]=4 89 B8R1.7 [C@@H]1(C(N)=O)CCCN1 SC-09818 [1,0,0,1,0,0|1,0,1]=4 90 B8R1.34 O=C(O)C=C1CCC1 SC-67620 [1,0,0,1,0,0|1,0,1]=4 91 B8R1.35 O=C(O)\C=C\C1CC1 SC-39438 [1,0,0,1,0,0|1,0,1]=4 92 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 SC-70419 [1,0,0,1,0,0|1,0,1]=4 93 B10R1.18 O=C(O)C=C1CCCCC1 SC-36662 [0,0,0,1,0,1|2,0,0]=4 94 B10R1.192 NC1CCS(=O)C1C(=O)O SC-30433 [0,0,0,1,0,1|1,0,0]=3 95 B10R1.370 CC1(CC(=O)O)CCCN1 SC-87777 [0,0,0,1,0,1|1,0,1]=4 96 B10R1.113 O=C(O)C1CNCC(O)C1 SC-26985 [0,1,0,1,0,0|1,0,1]=4 97 B10R1.113 O=C(O)C1CNCC(O)C1 SC-51267 [0,1,0,1,0,0|1,0,1]=4 98 B10R1.204 C=C(CC1CCC1)C(=O)O SC-31103 [0,1,0,1,0,0|2,0,0]=4