0 B8R0.8 C(C[C@@H](C(=O)O)N)CN CUR-0101406 [0,0,0,0,0,0|2,0,0]=2 1 B8R0.8 CCCCC(C(=O)O)Br CUR-0103355 [0,0,0,0,0,0|2,0,0]=2 2 B8R0.8 CCCCC(C(=O)O)N CUR-0009588 [0,0,0,0,0,0|1,0,0]=1 3 B8R0.8 CSCCC(C(=O)O)N CUR-0020132 [0,0,0,0,0,0|0,0,0]=0 4 B8R0.8 CSCC[C@@H](C(=O)O)N CUR-0122285 [0,0,0,0,0,0|0,0,0]=0 5 B7R0.4 C#CCNCC(=O)O CUR-0123529 [1,0,0,0,0,0|2,0,1]=4 6 B7R0.4 C(CCBr)CC(=O)O CUR-0103088 [1,0,0,0,0,0|2,0,0]=3 7 B7R0.4 C(CCN)CC(=O)O CUR-0018281 [1,0,0,0,0,0|2,0,0]=3 8 B7R0.4 C(CN=[N+]=[N-])C(=O)O CUR-0027706 [1,0,0,0,0,0|3,0,0]=4 9 B7R0.4 C=CCOCC(=O)O CUR-0014777 [1,0,0,0,0,0|2,0,1]=4 10 B7R0.4 CCCCNC(=O)N CUR-0101762 [1,0,0,0,0,0|3,0,0]=4 11 B7R0.4 CCCCOC(=O)C CUR-0026180 [1,0,0,0,0,0|3,0,0]=4 12 B7R0.5 C(CO)C(C(=O)O)N CUR-0009208 [1,0,0,0,0,0|0,1,0]=2 13 B7R0.5 CCCC(C(=O)O)Br CUR-0020650 [1,0,0,0,0,0|1,0,0]=2 14 B9R0.7 C(CC(=O)N)[C@@H](C(=O)O)N CUR-0100985 [0,1,0,0,0,0|2,0,0]=3 15 B9R0.7 C(CC(=O)O)[C@@H](C(=O)O)N CUR-0013957 [0,1,0,0,0,0|2,0,0]=3 16 B9R0.8 COC(=O)C(CCCN)N CUR-0026167 [0,1,0,0,0,0|2,0,0]=3 17 B9R0.13 CCCCC(CC)C(=O)O CUR-0102235 [0,1,0,0,0,0|2,0,0]=3 18 B9R0.47 C(CCN)CC(C(=O)O)N CUR-0012942 [0,1,0,0,0,0|1,0,0]=2 19 B9R0.47 C(CCN)C[C@H](C(=O)O)N CUR-0103129 [0,1,0,0,0,0|1,0,0]=2 20 B9R1.5 C1CCNC(=O)C(C1)Br CUR-0028325 [0,0,0,1,0,0|3,0,0]=4 21 B9R1.6 C1CC(CC=C1)C(=O)O CUR-0023113 [0,0,0,1,0,0|2,0,1]=4 22 B9R1.6 C1CC(CNC1)C(=O)O CUR-0002813 [0,0,0,1,0,0|3,0,0]=4 23 B9R1.6 C1CC(COC1)C(=O)O CUR-0008785 [0,0,0,1,0,0|3,0,0]=4 24 B9R1.6 C1CCC(CC1)C(=O)Cl CUR-0025798 [0,0,0,1,0,0|3,0,0]=4 25 B9R1.6 C1CCC(CC1)C(=O)O CUR-0026401 [0,0,0,1,0,0|2,0,0]=3 26 B9R1.6 C1CCNC(C1)C(=O)N CUR-0019045 [0,0,0,1,0,0|2,0,0]=3 27 B9R1.6 C1CCNC(C1)C(=O)O CUR-0009302 [0,0,0,1,0,0|1,0,0]=2 28 B9R1.6 C1CNC(CN1)C(=O)O CUR-0012594 [0,0,0,1,0,0|2,0,0]=3 29 B9R1.6 C1CNC(CN1)C(=O)O CUR-0081904 [0,0,0,1,0,0|2,0,0]=3 30 B9R1.6 C1CNCCC1C(=O)N CUR-0025199 [0,0,0,1,0,0|3,0,0]=4 31 B9R1.6 C1CNCCC1C(=O)N CUR-0101274 [0,0,0,1,0,0|3,0,0]=4 32 B9R1.6 C1CNCCC1C(=O)O CUR-0003276 [0,0,0,1,0,0|2,0,0]=3 33 B9R1.6 C1COC(CO1)C(=O)O CUR-0028470 [0,0,0,1,0,0|3,0,0]=4 34 B9R1.6 C1COCCC1C(=O)N CUR-0018286 [0,0,0,1,0,0|2,1,0]=4 35 B9R1.6 C1COCCC1C(=O)O CUR-0016356 [0,0,0,1,0,0|1,1,0]=3 36 B9R1.6 CC(=O)C1CCCCN1 CUR-0096516 [0,0,0,1,0,0|2,0,0]=3 37 B9R1.35 C1CC(=O)NC1C(=O)O CUR-0013033 [0,0,0,1,0,0|2,0,0]=3 38 B9R1.35 C1CC(=O)N[C@H]1C(=O)O CUR-0014319 [0,0,0,1,0,0|2,0,0]=3 39 B9R1.35 C1[C@H](NC(=O)N1)C(=O)O CUR-0122529 [0,0,0,1,0,0|3,0,0]=4 40 B6R0.1 CCCC(C)C=O CUR-0101597 [2,0,0,0,0,0|1,0,0]=3 41 B6R0.4 C(CC(=O)Cl)CBr CUR-0103177 [2,0,0,0,0,0|2,0,0]=4 42 B6R0.4 C(CC(=O)Cl)CCl CUR-0020663 [2,0,0,0,0,0|2,0,0]=4 43 B6R0.4 C(CC(=O)O)CN CUR-0010241 [2,0,0,0,0,0|1,0,0]=3 44 B6R0.4 C=CCCC(=O)O CUR-0101586 [2,0,0,0,0,0|0,0,2]=4 45 B6R0.4 CC(=O)CCCCl CUR-0004280 [2,0,0,0,0,0|2,0,0]=4 46 B6R0.4 CCCCC(=O)C CUR-0101595 [2,0,0,0,0,0|1,0,0]=3 47 B6R0.4 CCCCC(=O)Cl CUR-0101805 [2,0,0,0,0,0|1,0,0]=3 48 B6R0.4 CCCCC(=O)O CUR-0101620 [2,0,0,0,0,0|0,0,0]=2 49 B6R0.4 CCOCC(=O)O CUR-0101637 [2,0,0,0,0,0|1,0,0]=3 50 B6R0.4 COCCC(=O)O CUR-0012995 [2,0,0,0,0,0|0,1,0]=3 51 B6R0.6 C(CC=O)CC=O CUR-0101590 [2,0,0,0,0,0|2,0,0]=4 52 B6R0.6 CCCCCCO CUR-0025713 [2,0,0,0,0,0|1,0,1]=4 53 B6R0.3 C(C(C(=O)O)Br)Br CUR-0100855 [2,0,0,0,0,0|2,0,0]=4 54 B6R0.3 C(C(C(=O)O)N)O CUR-0101646 [2,0,0,0,0,0|0,1,0]=3 55 B6R0.3 C(C(C(=O)O)N)S CUR-0101261 [2,0,0,0,0,0|0,0,0]=2 56 B6R0.3 C([C@@H](C(=O)O)N)O CUR-0101109 [2,0,0,0,0,0|0,1,0]=3 57 B6R0.3 C([C@@H](C(=O)O)N)S CUR-0004971 [2,0,0,0,0,0|0,0,0]=2 58 B6R0.3 C([C@@H](C(=O)O)N)S CUR-0101810 [2,0,0,0,0,0|0,0,0]=2 59 B6R0.3 CCC(C(=O)N)Br CUR-0027495 [2,0,0,0,0,0|2,0,0]=4 60 B6R0.3 CCC(C(=O)O)Br CUR-0102801 [2,0,0,0,0,0|1,0,0]=3 61 B6R0.3 CCC(C(=O)O)N CUR-0010659 [2,0,0,0,0,0|0,0,0]=2 62 B6R0.3 CCC(C(C)O)N CUR-0067426 [2,0,0,0,0,0|1,0,1]=4 63 B6R0.3 CCC(C)C(=O)O CUR-0101619 [2,0,0,0,0,0|1,0,0]=3 64 B8R0.7 C(CCC(=O)O)CCBr CUR-0101245 [1,1,0,0,0,0|1,0,0]=3 65 B8R0.7 C(CCC(=O)O)CCN CUR-0025350 [1,1,0,0,0,0|1,0,0]=3 66 B8R0.7 C(CCC(=O)O)CCN CUR-0101191 [1,1,0,0,0,0|1,0,0]=3 67 B8R0.7 C(CCC(=O)[O-])CCN CUR-0024211 [1,1,0,0,0,0|1,0,1]=4 68 B8R0.7 C(CNCC(=O)O)C#N CUR-0008959 [1,1,0,0,0,0|2,0,0]=4 69 B8R0.7 CCCCCCC(=O)O CUR-0013258 [1,1,0,0,0,0|1,0,0]=3 70 B8R0.28 C(CC(=O)O)CC(=O)O CUR-0012316 [1,1,0,0,0,0|2,0,0]=4 71 B8R0.2 CC[C@H](C)[C@@H](C(=O)O)N CUR-0122501 [1,1,0,0,0,0|0,0,0]=2 72 B8R0.23 C(C(C(=O)O)N)C(=O)O CUR-0025971 [1,1,0,0,0,0|0,1,1]=4 73 B8R0.23 C([C@@H](C(=O)O)N)C(=O)N CUR-0101987 [1,1,0,0,0,0|0,1,1]=4 74 B8R0.23 C([C@@H](C(=O)O)N)C(=O)O CUR-0015472 [1,1,0,0,0,0|0,1,1]=4 75 B8R0.23 C([C@H](C(=O)O)N)C(=O)O CUR-0102002 [1,1,0,0,0,0|0,1,1]=4 76 B8R0.23 CC(C)CC(C(=O)O)N CUR-0101977 [1,1,0,0,0,0|0,0,0]=2 77 B8R0.23 CC(C)C[C@H](C(=O)O)N CUR-0101976 [1,1,0,0,0,0|0,0,0]=2 78 B10R0.92 C(CC(F)(F)F)C(C(=O)O)N CUR-0018642 [0,2,0,0,0,0|2,0,0]=4 79 B10R0.98 CC(C)CCC[C@@H](C(=O)O)N CUR-0017303 [0,2,0,0,0,0|1,0,0]=3 80 B8R1.2 C1CCC(CC1)C=O CUR-0101704 [1,0,0,1,0,0|2,0,0]=4 81 B8R1.5 C1CCC(=O)C(C1)Cl CUR-0101998 [1,0,0,1,0,0|2,0,0]=4 82 B8R1.5 CC1CCCCC1=O CUR-0101703 [1,0,0,1,0,0|2,0,0]=4 83 B8R1.50 CN1CCC(C1=O)Br CUR-0011211 [1,0,0,1,0,0|2,0,0]=4 84 B8R1.50 CN1CCC(C1=O)N CUR-0012125 [1,0,0,1,0,0|1,0,0]=3 85 B8R1.50 CN1CCC(C1=O)O CUR-0013744 [1,0,0,1,0,0|2,0,0]=4 86 B8R1.4 C1CC(=O)OC(=O)C1 CUR-0009916 [1,0,0,1,0,0|2,0,0]=4 87 B8R1.4 CC1CCCC(=O)C1 CUR-0101702 [1,0,0,1,0,0|2,0,0]=4 88 B8R1.7 C1C=CCC1C(=O)O CUR-0017055 [1,0,0,1,0,0|1,0,1]=4 89 B8R1.7 C1CC(NC1)C(=O)O CUR-0028986 [1,0,0,1,0,0|2,0,0]=4 90 B8R1.7 C1CC(OC1)C(=O)O CUR-0016168 [1,0,0,1,0,0|2,0,0]=4 91 B8R1.7 C1CCC(C1)C(=O)O CUR-0019739 [1,0,0,1,0,0|1,0,0]=3 92 B8R1.7 C1CNCC1C(=O)N CUR-0028604 [1,0,0,1,0,0|2,0,0]=4 93 B8R1.7 C1COCC1C(=O)O CUR-0024198 [1,0,0,1,0,0|0,1,0]=3 94 B8R1.7 C1C[C@@H](NC1)C(=O)O CUR-0100756 [1,0,0,1,0,0|2,0,0]=4 95 B8R1.7 C1C[C@H](NC1)C(=O)O CUR-0101268 [1,0,0,1,0,0|2,0,0]=4 96 B8R1.7 C1[C@H](NCS1)C(=O)O CUR-0102015 [1,0,0,1,0,0|1,0,0]=3 97 B8R1.18 CC1CC(C(=O)O1)Br CUR-0020365 [1,0,0,1,0,0|1,0,0]=3 98 B8R1.54 C1CC1C(C(=O)N)N CUR-0101299 [1,0,0,1,0,0|1,0,0]=3 99 B8R1.78 C1CC(C1)(C(=O)N)N CUR-0011550 [1,0,0,1,0,0|1,0,0]=3 100 B10R1.18 C1CCC(CC1)CC(=O)O CUR-0102197 [0,0,0,1,0,1|2,0,0]=4 101 B10R1.18 C1COCC(N1)CC(=O)O CUR-0100724 [0,0,0,1,0,1|2,0,0]=4 102 B10R1.61 C1CCC(C(C1)C(=O)O)N CUR-0081649 [0,0,0,1,0,1|1,0,0]=3 103 B10R1.13 C1CC(=O)NCC1C(=O)O CUR-0014865 [0,1,0,1,0,0|2,0,0]=4 104 B10R1.13 CN1CCC(CC1)C(=O)O CUR-0028799 [0,1,0,1,0,0|2,0,0]=4 105 B10R1.15 COC(=O)C1CCCCN1 CUR-0103057 [0,1,0,1,0,0|1,0,0]=3 106 B10R1.15 COC(=O)C1CCNCC1 CUR-0102216 [0,1,0,1,0,0|2,0,0]=4 107 B10R1.15 COC(=O)C1CCOCC1 CUR-0019779 [0,1,0,1,0,0|1,1,0]=4 108 B10R1.477 C1CCC(C1)(C#N)C(=O)O CUR-0019315 [0,1,0,1,0,0|1,0,1]=4 109 B10R1.477 C1CCC(C1)(CN)C(=O)N CUR-0019975 [0,1,0,1,0,0|2,0,0]=4 110 B10R1.113 C1C(NC(=O)CS1)C(=O)O CUR-0029229 [0,1,0,1,0,0|2,0,0]=4 111 B10R1.113 CN1CCCC(C1)C(=O)O CUR-0102217 [0,1,0,1,0,0|2,0,0]=4 112 B10R1.363 CC1(CCOCC1)C(=O)O CUR-0082943 [0,1,0,1,0,0|1,1,0]=4 113 B10R2.646 C1CC12CC(C2)C(=O)O CUR-0138607 [0,0,0,2,0,0|2,0,0]=4