0 B5R0.5 C(C(Br)Br)(Br)Br CUR-0100995 [0,0,0,0,0,0|4,0,0]=4 1 B5R0.5 CC(=O)C(=O)C CUR-0014415 [0,0,0,0,0,0|0,2,2]=4 2 B5R0.5 CC(=O)N(C)C CUR-0015735 [0,0,0,0,0,0|2,1,1]=4 3 B5R0.5 CC(C(=N)N)Cl CUR-0013780 [0,0,0,0,0,0|3,0,1]=4 4 B5R0.5 CC(C(=O)Br)Br CUR-0103656 [0,0,0,0,0,0|2,1,1]=4 5 B5R0.5 CC(C(=O)C)Cl CUR-0002968 [0,0,0,0,0,0|1,1,1]=3 6 B5R0.5 CC(C(=O)C)O CUR-0101517 [0,0,0,0,0,0|0,2,1]=3 7 B5R0.5 CC(C(=O)Cl)Cl CUR-0025103 [0,0,0,0,0,0|2,1,1]=4 8 B5R0.5 CC(C(=O)O)Cl CUR-0027467 [0,0,0,0,0,0|2,1,1]=4 9 B5R0.5 CC(C(=O)O)N CUR-0005753 [0,0,0,0,0,0|2,1,1]=4 10 B5R0.5 CC(C(=O)O)O CUR-0100772 [0,0,0,0,0,0|1,2,1]=4 11 B5R0.5 CC(C(=O)O)S CUR-0001712 [0,0,0,0,0,0|1,1,1]=3 12 B5R0.5 CC(C(C)Br)Br CUR-0103657 [0,0,0,0,0,0|2,0,0]=2 13 B5R0.5 CC(C)C(=N)N CUR-0101000 [0,0,0,0,0,0|3,0,1]=4 14 B5R0.5 CC(C)C(=O)C CUR-0101503 [0,0,0,0,0,0|1,1,1]=3 15 B5R0.5 CC(C)C(=O)Cl CUR-0101654 [0,0,0,0,0,0|2,1,1]=4 16 B5R0.5 CC(C)C(=O)O CUR-0023620 [0,0,0,0,0,0|2,1,1]=4 17 B5R0.5 CC(C)[N+](=O)[O-] CUR-0001597 [0,0,0,0,0,0|3,1,0]=4 18 B5R0.5 C[C@@H](C(=O)N)N CUR-0101872 [0,0,0,0,0,0|2,1,1]=4 19 B5R0.5 C[C@@H](C(=O)O)N CUR-0101526 [0,0,0,0,0,0|2,1,1]=4 20 B4R0.1 C(C(=O)O)S CUR-0101545 [1,0,0,0,0,0|1,1,1]=4 21 B4R0.1 C(C(Cl)Cl)Cl CUR-0102022 [1,0,0,0,0,0|3,0,0]=4 22 B4R0.1 C(C(Cl)Cl)N CUR-0101208 [1,0,0,0,0,0|3,0,0]=4 23 B4R0.1 CC(=C)CCl CUR-0011941 [1,0,0,0,0,0|2,0,1]=4 24 B4R0.1 CC(=C)OC CUR-0101450 [1,0,0,0,0,0|2,0,1]=4 25 B4R0.1 CC(=O)CCl CUR-0002239 [1,0,0,0,0,0|1,1,1]=4 26 B4R0.1 CC(=O)CO CUR-0005016 [1,0,0,0,0,0|0,2,1]=4 27 B4R0.1 CC(C#C)N CUR-0083146 [1,0,0,0,0,0|1,0,2]=4 28 B4R0.1 CC(C#C)O CUR-0101444 [1,0,0,0,0,0|0,1,2]=4 29 B4R0.1 CC(C#N)Cl CUR-0101233 [1,0,0,0,0,0|2,0,1]=4 30 B4R0.1 CC(C)C#N CUR-0009528 [1,0,0,0,0,0|2,0,1]=4 31 B4R0.1 CC(C)C=O CUR-0017872 [1,0,0,0,0,0|1,1,1]=4 32 B4R0.1 CC(C)CBr CUR-0024115 [1,0,0,0,0,0|2,0,0]=3 33 B4R0.1 CC(C)CI CUR-0028804 [1,0,0,0,0,0|2,0,0]=3 34 B4R0.1 CC(C)CN CUR-0020747 [1,0,0,0,0,0|2,0,0]=3 35 B4R0.1 CC(C)CO CUR-0012302 [1,0,0,0,0,0|1,1,0]=3 36 B4R0.1 CC(C)NN CUR-0014509 [1,0,0,0,0,0|3,0,0]=4 37 B4R0.1 CC(CN)N CUR-0101461 [1,0,0,0,0,0|2,0,0]=3 38 B4R0.1 CC(CN)O CUR-0024952 [1,0,0,0,0,0|1,1,0]=3 39 B4R0.1 CC(CN)S CUR-0003165 [1,0,0,0,0,0|1,0,0]=2 40 B4R0.1 CC(CO)O CUR-0022593 [1,0,0,0,0,0|0,2,0]=3 41 B4R0.1 CC(CS)N CUR-0021165 [1,0,0,0,0,0|1,0,0]=2 42 B4R0.1 CCC(=O)Cl CUR-0101547 [1,0,0,0,0,0|1,1,1]=4 43 B4R0.1 CCC(=O)N CUR-0101453 [1,0,0,0,0,0|1,1,1]=4 44 B4R0.1 CCC(=O)O CUR-0010221 [1,0,0,0,0,0|1,1,1]=4 45 B4R0.1 CCC(C)Br CUR-0102085 [1,0,0,0,0,0|1,0,0]=2 46 B4R0.1 CCC(C)I CUR-0055396 [1,0,0,0,0,0|1,0,0]=2 47 B4R0.1 CCC(C)N CUR-0001789 [1,0,0,0,0,0|1,0,0]=2 48 B4R0.1 CCN(C)C CUR-0101456 [1,0,0,0,0,0|2,0,0]=3 49 B4R0.1 CC[N+](=O)[O-] CUR-0012449 [1,0,0,0,0,0|2,1,0]=4 50 B4R0.1 COC(Cl)Cl CUR-0101733 [1,0,0,0,0,0|3,0,0]=4 51 B6R0.3 CC(C(=O)OC)Br CUR-0102802 [0,1,0,0,0,0|1,1,1]=4 52 B6R0.3 CC(C)C(=N)OC CUR-0101310 [0,1,0,0,0,0|2,0,1]=4 53 B6R0.3 CC(C)C(CN)O CUR-0027506 [0,1,0,0,0,0|1,1,0]=3 54 B6R0.3 CCC(C(C)O)N CUR-0067426 [0,1,0,0,0,0|1,1,0]=3 55 B6R0.7 CC(=O)C(C)(C)C CUR-0101594 [0,1,0,0,0,0|1,1,1]=4 56 B6R1.4 CC1CCC1N CUR-0163343 [0,0,0,1,0,0|2,0,0]=3 57 B6R1.4 CC1CCC1O CUR-0090358 [0,0,0,1,0,0|1,1,0]=3 58 B6R1.9 CC1(CC1N)C CUR-0090235 [0,0,0,1,0,0|2,0,0]=3 59 B6R1.11 CC(=O)C1CC1 CUR-0020622 [0,0,0,1,0,0|1,1,1]=4 60 B6R0.2 CC(C)CC(=O)C CUR-0017562 [0,0,0,0,0,1|1,1,1]=4 61 B6R0.2 CC(C)NC(C)C CUR-0028446 [0,0,0,0,0,1|2,0,0]=3 62 B3R0.1 C(CBr)Br CUR-0000806 [2,0,0,0,0,0|2,0,0]=4 63 B3R0.1 C(CBr)Cl CUR-0006161 [2,0,0,0,0,0|2,0,0]=4 64 B3R0.1 C(CBr)N CUR-0103516 [2,0,0,0,0,0|2,0,0]=4 65 B3R0.1 C(CBr)O CUR-0021042 [2,0,0,0,0,0|1,1,0]=4 66 B3R0.1 C(CCl)N CUR-0015629 [2,0,0,0,0,0|2,0,0]=4 67 B3R0.1 C(CCl)O CUR-0101474 [2,0,0,0,0,0|1,1,0]=4 68 B3R0.1 C(CN)N CUR-0009355 [2,0,0,0,0,0|2,0,0]=4 69 B3R0.1 C(CN)N CUR-0101207 [2,0,0,0,0,0|2,0,0]=4 70 B3R0.1 C(CN)N CUR-0101271 [2,0,0,0,0,0|2,0,0]=4 71 B3R0.1 C(CO)N CUR-0010085 [2,0,0,0,0,0|1,1,0]=4 72 B3R0.1 C(CO)O CUR-0026540 [2,0,0,0,0,0|0,2,0]=4 73 B3R0.1 C(CS)N CUR-0000633 [2,0,0,0,0,0|1,0,0]=3 74 B3R0.1 C(CS)N CUR-0101235 [2,0,0,0,0,0|1,0,0]=3 75 B3R0.1 C(CS)O CUR-0013730 [2,0,0,0,0,0|0,1,0]=3 76 B3R0.1 CCC#N CUR-0100813 [2,0,0,0,0,0|1,0,1]=4 77 B3R0.1 CCC=O CUR-0015273 [2,0,0,0,0,0|0,1,1]=4 78 B3R0.1 CCCBr CUR-0028377 [2,0,0,0,0,0|1,0,0]=3 79 B3R0.1 CCCI CUR-0010202 [2,0,0,0,0,0|1,0,0]=3 80 B3R0.1 CCCN CUR-0000120 [2,0,0,0,0,0|1,0,0]=3 81 B3R0.1 CCCO CUR-0017382 [2,0,0,0,0,0|0,1,0]=3 82 B3R0.1 CCCS CUR-0009615 [2,0,0,0,0,0|0,0,0]=2 83 B3R0.1 CCNN CUR-0017500 [2,0,0,0,0,0|2,0,0]=4 84 B3R0.1 CNOC CUR-0015640 [2,0,0,0,0,0|2,0,0]=4 85 B3R0.1 COCCl CUR-0028317 [2,0,0,0,0,0|2,0,0]=4 86 B3R0.1 CSSC CUR-0101553 [2,0,0,0,0,0|2,0,0]=4 87 B3R0.2 CC(C)Br CUR-0027321 [2,0,0,0,0,0|1,0,0]=3 88 B3R0.2 CC(C)Cl CUR-0022523 [2,0,0,0,0,0|1,0,0]=3 89 B3R0.2 CC(C)I CUR-0026227 [2,0,0,0,0,0|1,0,0]=3 90 B3R0.2 CC(C)N CUR-0024558 [2,0,0,0,0,0|1,0,0]=3 91 B3R0.2 CC(C)S CUR-0012379 [2,0,0,0,0,0|0,0,0]=2 92 B3R0.2 CN(C)C CUR-0004768 [2,0,0,0,0,0|2,0,0]=4 93 B3R0.2 CP(C)C CUR-0006076 [2,0,0,0,0,0|2,0,0]=4 94 B3R0.2 C[S+](C)C CUR-0103505 [2,0,0,0,0,0|2,0,0]=4 95 B5R0.1 CC(=O)COC CUR-0101516 [1,1,0,0,0,0|0,1,1]=4 96 B5R0.1 CC(C)CC#N CUR-0101228 [1,1,0,0,0,0|1,0,1]=4 97 B5R0.1 CC(C)CC=O CUR-0101502 [1,1,0,0,0,0|1,0,1]=4 98 B5R0.1 CC(C)CCBr CUR-0002757 [1,1,0,0,0,0|1,0,0]=3 99 B5R0.1 CC(C)CCN CUR-0101511 [1,1,0,0,0,0|1,0,0]=3 100 B5R0.1 CC(C)CCO CUR-0003416 [1,1,0,0,0,0|1,0,0]=3 101 B5R0.1 CC(C)CNN CUR-0001046 [1,1,0,0,0,0|2,0,0]=4 102 B5R0.1 CC(CCO)O CUR-0003759 [1,1,0,0,0,0|0,1,0]=3 103 B5R0.1 CC(COC)N CUR-0101532 [1,1,0,0,0,0|1,0,0]=3 104 B5R0.1 CC(CSC)N CUR-0019523 [1,1,0,0,0,0|1,0,0]=3 105 B5R0.1 CCCC(=O)C CUR-0026599 [1,1,0,0,0,0|0,1,1]=4 106 B5R0.1 CCCC(C)O CUR-0023615 [1,1,0,0,0,0|0,1,0]=3 107 B5R0.1 CCOC(=O)C CUR-0101519 [1,1,0,0,0,0|0,1,1]=4 108 B5R0.1 CN(C)CCCl CUR-0017041 [1,1,0,0,0,0|2,0,0]=4 109 B5R0.1 CN(C)CCN CUR-0101525 [1,1,0,0,0,0|2,0,0]=4 110 B5R0.1 CN(C)CCO CUR-0019188 [1,1,0,0,0,0|2,0,0]=4 111 B5R0.3 C(C(CO)O)O CUR-0012902 [1,1,0,0,0,0|0,2,0]=4 112 B5R0.3 CC(CO)CO CUR-0101538 [1,1,0,0,0,0|0,2,0]=4 113 B5R0.3 CCC(=O)CC CUR-0101500 [1,1,0,0,0,0|0,1,1]=4 114 B5R0.3 CCC(C)CO CUR-0101523 [1,1,0,0,0,0|0,1,0]=3 115 B5R0.3 CCC(C)NN CUR-0004060 [1,1,0,0,0,0|1,0,0]=3 116 B5R0.3 CCC(CC)Br CUR-0020873 [1,1,0,0,0,0|1,0,0]=3 117 B5R0.3 CCC(CO)N CUR-0101528 [1,1,0,0,0,0|1,0,0]=3 118 B5R0.3 COC(=O)CS CUR-0014981 [1,1,0,0,0,0|0,1,1]=4 119 B5R0.4 CC(C)(CCl)O CUR-0008479 [1,1,0,0,0,0|1,1,0]=4 120 B5R0.4 CC(C)(CO)N CUR-0101533 [1,1,0,0,0,0|1,1,0]=4 121 B5R0.4 CCC(C)(C)N CUR-0017274 [1,1,0,0,0,0|1,0,0]=3 122 B5R0.4 CCC(C)(C)O CUR-0012425 [1,1,0,0,0,0|0,1,0]=3 123 B7R0.5 CCCC(C)C(C)N CUR-0034233 [0,2,0,0,0,0|2,0,0]=4 124 B7R0.10 C([C@H]([C@H](CO)O)O)O CUR-0163306 [0,2,0,0,0,0|0,2,0]=4 125 B7R0.17 CC(C)(C(C)(C)O)O CUR-0008451 [0,2,0,0,0,0|0,2,0]=4 126 B5R1.2 C1C(CN1)O CUR-0015234 [1,0,0,1,0,0|1,1,0]=4 127 B5R1.2 C1C(CO1)O CUR-0028981 [1,0,0,1,0,0|0,2,0]=4 128 B5R1.2 C1CC(=O)C1 CUR-0005686 [1,0,0,1,0,0|0,1,1]=4 129 B5R1.2 C1CC(C1)Br CUR-0102047 [1,0,0,1,0,0|1,0,0]=3 130 B5R1.2 C1CC(C1)O CUR-0029256 [1,0,0,1,0,0|0,1,0]=3 131 B5R1.3 C1C(O1)CCl CUR-0004573 [1,0,0,1,0,0|1,1,0]=4 132 B5R1.3 C1C(O1)CO CUR-0011597 [1,0,0,1,0,0|0,2,0]=4 133 B5R1.3 C1CC1CBr CUR-0015213 [1,0,0,1,0,0|2,0,0]=4 134 B5R1.3 C1CC1CN CUR-0019694 [1,0,0,1,0,0|2,0,0]=4 135 B5R1.3 C1CC1CO CUR-0016442 [1,0,0,1,0,0|1,1,0]=4 136 B7R1.4 C1CC(C(C1)F)O CUR-0014122 [0,1,0,1,0,0|1,1,0]=4 137 B7R1.22 C1CC1C(CN)O CUR-0022173 [0,1,0,1,0,0|1,1,0]=4 138 B7R1.22 CC(C1CC1)NN CUR-0014382 [0,1,0,1,0,0|2,0,0]=4