0 B9R0.47 C=CCSCC(N)C(=O)O SC-10024 [0,0,0,0,0,0|0,0,0]=0 1 B9R0.47 CCCCCC(N)C(=O)O SC-10084 [0,0,0,0,0,0|1,0,2]=3 2 B9R0.47 CCCCCC(N)C(=O)O SC-10085 [0,0,0,0,0,0|1,0,2]=3 3 B9R0.47 CCCCC[C@@H](N)C(=O)O SC-10086 [0,0,0,0,0,0|1,0,2]=3 4 B9R0.47 CCSCCC(N)C(=O)O SC-10254 [0,0,0,0,0,0|2,0,2]=4 5 B9R0.47 NCCCCC(N)C(=O)O SC-06113 [0,0,0,0,0,0|2,0,1]=3 6 B9R0.47 NCCCCC(N)C(=O)O SC-09672 [0,0,0,0,0,0|2,0,1]=3 7 B9R0.47 NCCCCC(N)C(=O)O SC-19760 [0,0,0,0,0,0|2,0,1]=3 8 B9R0.47 NCCCC[C@H](N)C(=O)O SC-09670 [0,0,0,0,0,0|2,0,1]=3 9 B9R0.47 NCCCC[C@H](N)C(=O)O SC-09674 [0,0,0,0,0,0|2,0,1]=3 10 B9R0.47 [C@@H](N)(CCCCN)C(=O)O SC-07335 [0,0,0,0,0,0|2,0,1]=3 11 B8R0.7 C#CCCCCC(=O)O SC-20440 [1,0,0,0,0,0|1,0,2]=4 12 B8R0.7 C#CCOCCC(=O)O SC-A2263 [1,0,0,0,0,0|0,1,2]=4 13 B8R0.7 NCCCCCC(=O)O SC-10067 [1,0,0,0,0,0|2,0,1]=4 14 B8R0.7 O=C(O)CCCCCBr SC-04420 [1,0,0,0,0,0|2,0,1]=4 15 B8R0.7 O=C(O)CCCCCO SC-17400 [1,0,0,0,0,0|2,0,1]=4 16 B8R0.7 O=C(O)CCOCCBr SC-A2260 [1,0,0,0,0,0|1,1,1]=4 17 B8R0.8 CCCCC(N)C(=O)O SC-10365 [1,0,0,0,0,0|0,0,2]=3 18 B8R0.8 CCCC[C@@H](N)C(=O)O SC-10363 [1,0,0,0,0,0|0,0,2]=3 19 B8R0.8 CSCCC(N)C(N)=O SC-15811 [1,0,0,0,0,0|2,0,1]=4 20 B8R0.8 CSCC[C@@H](N)C(=O)O SC-09743 [1,0,0,0,0,0|1,0,1]=3 21 B8R0.8 C[Se]CC[C@H](N)C(=O)O SC-19961 [1,0,0,0,0,0|1,0,1]=3 22 B8R0.8 NCCCC(N)C(=O)O SC-10385 [1,0,0,0,0,0|1,0,1]=3 23 B8R0.8 NCCCC(N)C(=O)O SC-48991 [1,0,0,0,0,0|1,0,1]=3 24 B8R0.8 NCCC[C@H](N)C(=O)O SC-18299 [1,0,0,0,0,0|1,0,1]=3 25 B10R0.26 N#CCS(=O)CC(N)C(=O)O SC-21410 [0,1,0,0,0,0|1,0,2]=4 26 B10R0.75 CCCCCCC(N)C(=O)O SC-10073 [0,1,0,0,0,0|1,0,2]=4 27 B10R0.75 N[C@@H](CSCCCO)C(=O)O SC-47121 [0,1,0,0,0,0|0,0,2]=3 28 B10R0.98 NC(CCCC(=O)O)C(=O)O SC-20484 [0,1,0,0,0,0|2,0,0]=3 29 B10R0.98 NC(CSCC(=O)O)C(=O)O SC-19245 [0,1,0,0,0,0|1,0,0]=2 30 B10R1.23 NC(C(=O)O)C1=CC=CO1 SC-12436 [0,0,0,1,0,0|0,1,2]=4 31 B10R1.23 NC(C(=O)O)C1CCCC1 SC-19466 [0,0,0,1,0,0|1,0,2]=4 32 B10R1.113 O=C1CCCC(C(=O)O)C1 SC-47920 [0,0,0,1,0,0|3,0,0]=4 33 B10R1.113 O=C1CCCC(C(=O)O)N1 SC-49024 [0,0,0,1,0,0|2,0,0]=3 34 B10R1.113 O=C1CCC[C@@H](C(=O)O)N1 SC-22183 [0,0,0,1,0,0|2,0,0]=3 35 B10R1.113 O=C1CSCC(C(=O)O)N1 SC-84528 [0,0,0,1,0,0|1,0,0]=2 36 B10R1.204 N[C@@H](CC1CCC1)C(=O)O SC-98743 [0,0,0,1,0,0|1,0,2]=4 37 B10R1.204 N[C@H](CC1CCC1)C(=O)O SC-98842 [0,0,0,1,0,0|1,0,2]=4 38 B10R1.348 O=C(O)C1CCCCCN1 SC-13854 [0,0,0,1,0,0|1,0,2]=4 39 B10R1.363 NC1(C(=O)O)CCCOC1 SC-14945 [0,0,0,1,0,0|0,1,2]=4 40 B10R0.6 CCCCCC(N)CC(=O)O SC-12428 [0,0,0,0,0,1|1,0,2]=4 41 B7R0.1 C=CCSSCC=C SC-77190 [2,0,0,0,0,0|2,0,0]=4 42 B7R0.4 C#CCCCC(=O)O SC-73017 [2,0,0,0,0,0|0,0,2]=4 43 B7R0.4 C=CCCC[N+](=O)[O-] SC-89901 [2,0,0,0,0,0|1,0,1]=4 44 B7R0.4 C=CCNCC(=O)O SC-74362 [2,0,0,0,0,0|1,0,0]=3 45 B7R0.4 C=CCOCC(=O)O SC-49027 [2,0,0,0,0,0|0,1,0]=3 46 B7R0.4 CCCSCC(=O)O SC-45283 [2,0,0,0,0,0|0,0,2]=4 47 B7R0.4 CNCCCC(=O)O SC-49793 [2,0,0,0,0,0|1,0,1]=4 48 B7R0.4 CNCCCC(=O)O SC-A2900 [2,0,0,0,0,0|1,0,1]=4 49 B7R0.4 COCCCC(=O)O SC-51378 [2,0,0,0,0,0|1,0,1]=4 50 B7R0.4 C\C=C\CCC(=O)O SC-21245 [2,0,0,0,0,0|0,0,2]=4 51 B7R0.4 NCCCCC(=O)O SC-10120 [2,0,0,0,0,0|1,0,1]=4 52 B7R0.4 NCCCCC(=O)O SC-92391 [2,0,0,0,0,0|1,0,1]=4 53 B7R0.4 O=C(O)CCCCBr SC-02338 [2,0,0,0,0,0|1,0,1]=4 54 B7R0.5 C#CC[C@@H](N)C(=O)O SC-A2980 [2,0,0,0,0,0|0,0,2]=4 55 B7R0.5 C=CCC(N)C(=O)O SC-10030 [2,0,0,0,0,0|0,0,0]=2 56 B7R0.5 C=CCC(N)C(=O)O SC-10031 [2,0,0,0,0,0|0,0,0]=2 57 B7R0.5 C=CCC(N)C(=O)O SC-10032 [2,0,0,0,0,0|0,0,0]=2 58 B7R0.5 C=CC[C@@H](N)C(=O)O SC-25316 [2,0,0,0,0,0|0,0,0]=2 59 B7R0.5 C=CC[C@H](N)C(=O)O SC-14143 [2,0,0,0,0,0|0,0,0]=2 60 B7R0.5 CCCC(Br)C(=O)O SC-27020 [2,0,0,0,0,0|1,0,1]=4 61 B7R0.5 CCC[C@H](N)C(=O)O SC-06139 [2,0,0,0,0,0|0,0,1]=3 62 B7R0.5 COC[C@@H](N)C(=O)O SC-52821 [2,0,0,0,0,0|0,1,0]=3 63 B7R0.5 COC[C@H](N)C(=O)O SC-26107 [2,0,0,0,0,0|0,1,0]=3 64 B7R0.5 COC[C@H](N)C(=O)O SC-47929 [2,0,0,0,0,0|0,1,0]=3 65 B7R0.5 NC(CCO)C(=O)O SC-10290 [2,0,0,0,0,0|1,0,0]=3 66 B7R0.5 NCCC(N)C(=O)O SC-10146 [2,0,0,0,0,0|1,0,0]=3 67 B7R0.5 NCCC(N)C(=O)O SC-20723 [2,0,0,0,0,0|1,0,0]=3 68 B7R0.5 NCCC(N)C(=O)O SC-23452 [2,0,0,0,0,0|1,0,0]=3 69 B7R0.5 NCCC(N)C(=O)O SC-25055 [2,0,0,0,0,0|1,0,0]=3 70 B7R0.5 NCC[C@H](N)C(=O)O SC-10144 [2,0,0,0,0,0|1,0,0]=3 71 B7R0.5 N[C@@H](CCO)C(=O)O SC-10291 [2,0,0,0,0,0|1,0,0]=3 72 B7R0.5 N[C@H](CCO)C(=O)O SC-10292 [2,0,0,0,0,0|1,0,0]=3 73 B9R0.7 CC(C)=CCC(N)C(=O)O SC-22867 [1,1,0,0,0,0|0,0,2]=4 74 B9R0.7 CC(C)CC[C@H](N)C(=O)O SC-93270 [1,1,0,0,0,0|0,0,2]=4 75 B9R0.7 NC(=O)CCC(N)C(=O)O SC-09535 [1,1,0,0,0,0|1,0,0]=3 76 B9R0.7 NC(=O)SCC(N)C(=O)O SC-25048 [1,1,0,0,0,0|1,0,0]=3 77 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O SC-94352 [1,1,0,0,0,0|2,0,0]=4 78 B9R0.7 NC(CCC(=O)O)C(=O)O SC-05406 [1,1,0,0,0,0|1,0,0]=3 79 B9R0.7 NC(CCC(=O)O)C(=O)O SC-27100 [1,1,0,0,0,0|1,0,0]=3 80 B9R0.7 N[C@H](CCC(=O)O)C(=O)O SC-09473 [1,1,0,0,0,0|1,0,0]=3 81 B9R0.7 [C@@H](N)(CCC(N)=O)C(=O)O SC-05605 [1,1,0,0,0,0|1,0,0]=3 82 B9R0.51 C=CCCC(C)(C)C(=O)O SC-34922 [1,1,0,0,0,0|1,0,0]=3 83 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)O SC-46452 [0,2,0,0,0,0|2,0,0]=4 84 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)O SC-17242 [0,2,0,0,0,0|2,0,0]=4 85 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)O SC-17244 [0,2,0,0,0,0|2,0,0]=4 86 B11R0.29 NC(=O)NCCC[C@@H](N)C(=O)O SC-10122 [0,2,0,0,0,0|2,0,0]=4 87 B11R0.29 NC(=O)NCCC[C@H](N)C(=O)O SC-10123 [0,2,0,0,0,0|2,0,0]=4 88 B9R1.6 O=C(O)C1CSCCN1 SC-47973 [1,0,0,1,0,0|1,0,1]=4 89 B9R1.6 O=C(O)[C@@H]1CSCCN1 SC-82353 [1,0,0,1,0,0|1,0,1]=4 90 B9R1.6 O=C(O)[C@H]1CSCCN1 SC-33694 [1,0,0,1,0,0|1,0,1]=4 91 B9R1.13 O=C(O)CC1=CC=CS1 SC-02081 [1,0,0,1,0,0|0,0,2]=4 92 B9R1.48 O=C1CCCCC(=O)O1 SC-92931 [1,0,0,1,0,0|2,0,0]=4 93 B9R1.35 NC1=NC(C(=O)O)CS1 SC-62540 [1,0,0,1,0,0|1,0,1]=4 94 B9R1.35 O=C1CCC(C(=O)O)C1 SC-28724 [1,0,0,1,0,0|2,0,0]=4 95 B9R1.35 O=C1CCC(C(=O)O)N1 SC-01249 [1,0,0,1,0,0|1,0,0]=3 96 B9R1.35 O=C1CCC(C(=O)O)O1 SC-93768 [1,0,0,1,0,0|2,0,0]=4 97 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 SC-07520 [1,0,0,1,0,0|1,0,0]=3 98 B9R1.35 [C@@H]1(C(=O)O)CCC(=O)O1 SC-47439 [1,0,0,1,0,0|2,0,0]=4 99 B9R1.35 [C@H]1(C(=O)O)CCC(=O)N1 SC-04305 [1,0,0,1,0,0|1,0,0]=3 100 B9R1.35 [C@H]1(C(=O)O)CCC(=O)O1 SC-08888 [1,0,0,1,0,0|2,0,0]=4 101 B9R1.69 NC1CCC(=O)NC1=O SC-52533 [1,0,0,1,0,0|2,0,0]=4 102 B9R1.69 NC1CCC(=O)NC1=O SC-72018 [1,0,0,1,0,0|2,0,0]=4 103 B9R1.69 NC1CCC(=O)NC1=O SC-85613 [1,0,0,1,0,0|2,0,0]=4 104 B9R1.69 N[C@@H]1CCC(=O)NC1=O SC-A2238 [1,0,0,1,0,0|2,0,0]=4 105 B9R1.69 N[C@H]1CCC(=O)NC1=O SC-A2241 [1,0,0,1,0,0|2,0,0]=4 106 B9R1.110 NC(C(=O)O)C1CCC1 SC-94779 [1,0,0,1,0,0|0,0,2]=4 107 B9R1.112 NC(CC1CC1)C(=O)O SC-60891 [1,0,0,1,0,0|0,0,2]=4 108 B9R1.163 NC1(C(=O)O)CC=CC1 SC-31553 [1,0,0,1,0,0|0,0,2]=4 109 B9R1.163 NC1(C(=O)O)CCCC1 SC-11054 [1,0,0,1,0,0|0,0,2]=4 110 B9R1.163 NC1(C(=O)O)CCOC1 SC-35949 [1,0,0,1,0,0|0,1,1]=4 111 B11R1.77 NC(CC(=O)O)C1=CC=CS1 SC-59316 [0,0,0,1,0,1|0,0,2]=4 112 B11R1.35 NC(CC1=CNC=N1)C(=O)O SC-09574 [0,1,0,1,0,0|2,0,0]=4 113 B11R1.35 NC(CC1=CNC=N1)C(=O)O SC-09575 [0,1,0,1,0,0|2,0,0]=4 114 B11R1.35 NC(CC1=CSC=C1)C(=O)O SC-20710 [0,1,0,1,0,0|1,0,1]=4 115 B11R1.35 N[C@@H](CC1=CC=CS1)C(=O)O SC-11219 [0,1,0,1,0,0|0,0,1]=3 116 B11R1.35 N[C@@H](CC1=CNC=N1)C(=O)O SC-22421 [0,1,0,1,0,0|2,0,0]=4 117 B11R1.35 N[C@@H](CC1=CNC=N1)C(=O)O SC-48587 [0,1,0,1,0,0|2,0,0]=4 118 B11R1.35 N[C@@H](CC1=CSC=N1)C(=O)O SC-71446 [0,1,0,1,0,0|2,0,0]=4 119 B11R1.35 [C@@H](N)(CC1=CNC=N1)C(=O)O SC-09573 [0,1,0,1,0,0|2,0,0]=4 120 B11R1.89 CC1=C(C(N)C(=O)O)SC=C1 SC-12435 [0,1,0,1,0,0|0,0,2]=4 121 B11R1.314 CC1=CC=C(C(N)C(=O)O)S1 SC-12438 [0,1,0,1,0,0|0,0,2]=4 122 B11R1.23 COC(=O)C1CCCC(=O)N1 SC-49227 [0,1,0,1,0,0|2,0,0]=4 123 B11R1.23 COC(=O)C1CCCC(=O)N1 SC-70288 [0,1,0,1,0,0|2,0,0]=4 124 B11R2.845 O=C(O)C1CC2C=CC1C2 SC-25238 [0,0,0,2,0,0|2,0,0]=4