0 B7R0.18 CCC(Br)(CC)CC CS-0197400 [0,0,0,0,0,0|4,0,0]=4 1 B7R0.18 CCC(N)(CO)CO CS-0089934 [0,0,0,0,0,0|1,0,0]=1 2 B7R0.18 NC(CO)(CO)CO CS-0015190 [0,0,0,0,0,0|0,0,0]=0 3 B7R0.18 NC(CO)(CO)CO CS-0201542 [0,0,0,0,0,0|0,0,0]=0 4 B7R0.18 NC(CO)(CO)CO CS-0201545 [0,0,0,0,0,0|0,0,0]=0 5 B7R0.18 NC(CO)(CO)CO CS-0201546 [0,0,0,0,0,0|0,0,0]=0 6 B7R0.18 NC(CO)(CO)CO CS-W009054 [0,0,0,0,0,0|0,0,0]=0 7 B7R0.18 NC(CO)(CO)CO CS-W018524 [0,0,0,0,0,0|0,0,0]=0 8 B6R0.8 C#CC(C)(N)CC CS-W003636 [1,0,0,0,0,0|2,0,1]=4 9 B6R0.8 CC(C)(C#N)CO CS-W018923 [1,0,0,0,0,0|2,0,1]=4 10 B6R0.8 CC(C)(CBr)CBr CS-W004189 [1,0,0,0,0,0|3,0,0]=4 11 B6R0.8 CC(C)(CN)CN CS-0077143 [1,0,0,0,0,0|3,0,0]=4 12 B6R0.8 CC(C)(CN)CO CS-W008239 [1,0,0,0,0,0|2,0,0]=3 13 B6R0.8 CC(C)(CO)CBr CS-0043654 [1,0,0,0,0,0|2,0,0]=3 14 B6R0.8 CC(C)(CO)CCl CS-W011189 [1,0,0,0,0,0|2,0,0]=3 15 B6R0.8 CC(N)(CO)CO CS-W017770 [1,0,0,0,0,0|0,0,0]=1 16 B6R0.8 CCC(C)(C)CN CS-0590202 [1,0,0,0,0,0|3,0,0]=4 17 B6R0.8 CNC(C)(C)CO CS-W018699 [1,0,0,0,0,0|3,0,0]=4 18 B6R0.8 COC(C)(C)CO CS-0146594 [1,0,0,0,0,0|3,0,0]=4 19 B6R0.8 NCC(F)(F)CO CS-B1180 [1,0,0,0,0,0|3,0,0]=4 20 B6R0.8 OCC(F)(F)CO CS-0094694 [1,0,0,0,0,0|2,0,0]=3 21 B6R0.9 CCC(CC)CBr CS-0132321 [1,0,0,0,0,0|3,0,0]=4 22 B6R0.9 OCC(CO)CO CS-W005889 [1,0,0,0,0,0|0,0,0]=1 23 B8R0.10 CCC(CC)(CO)CO CS-0339248 [0,1,0,0,0,0|2,0,0]=3 24 B8R0.10 OCC(CBr)(CBr)CBr CS-B0067 [0,1,0,0,0,0|3,0,0]=4 25 B8R0.10 OCC(CO)(CBr)CBr CS-0204802 [0,1,0,0,0,0|2,0,0]=3 26 B8R0.10 OCC(CO)(CO)CBr CS-0079598 [0,1,0,0,0,0|1,0,0]=2 27 B8R0.36 CC(CO)(CO)C(=O)O CS-0015105 [0,1,0,0,0,0|1,0,1]=3 28 B8R0.36 CC(CO)(CO)[N+](=O)[O-] CS-0116710 [0,1,0,0,0,0|2,0,1]=4 29 B8R0.36 CCC(N)(CC)C(=O)O CS-W005544 [0,1,0,0,0,0|2,0,1]=4 30 B8R1.52 CC1(CO)CCCC1 CS-0058058 [0,0,0,1,0,0|3,0,0]=4 31 B8R1.52 NC1(CO)CC=CC1 CS-0091347 [0,0,0,1,0,0|2,0,0]=3 32 B8R1.52 NC1(CO)CCCC1 CS-0088069 [0,0,0,1,0,0|2,0,0]=3 33 B8R1.60 BrCC1(CBr)COC1 CS-0003922 [0,0,0,1,0,0|3,0,0]=4 34 B8R1.60 CCC1(CO)COC1 CS-W009544 [0,0,0,1,0,0|2,0,0]=3 35 B8R1.60 ClCC1(CCl)COC1 CS-0051637 [0,0,0,1,0,0|3,0,0]=4 36 B8R1.60 N#CC1(CO)COC1 CS-0133584 [0,0,0,1,0,0|2,0,1]=4 37 B8R1.60 NCC1(CO)CCC1 CS-W021055 [0,0,0,1,0,0|3,0,0]=4 38 B8R1.60 OCC1(CBr)COC1 CS-W019428 [0,0,0,1,0,0|2,0,0]=3 39 B8R1.60 OCC1(CO)CCC1 CS-D0251 [0,0,0,1,0,0|2,0,0]=3 40 B8R1.60 OCC1(CO)COC1 CS-0052995 [0,0,0,1,0,0|1,0,0]=2 41 B5R0.3 C=C(CO)CO CS-W009247 [2,0,0,0,0,0|0,0,2]=4 42 B5R0.3 C=CC(O)CO CS-W016675 [2,0,0,0,0,0|1,0,1]=4 43 B5R0.3 C=C[C@@H](N)CO CS-0089925 [2,0,0,0,0,0|1,0,1]=4 44 B5R0.3 C=C[C@H](N)CO CS-0088065 [2,0,0,0,0,0|1,0,1]=4 45 B5R0.3 CC(CBr)CBr CS-0154074 [2,0,0,0,0,0|2,0,0]=4 46 B5R0.3 CC(CCl)CBr CS-0204235 [2,0,0,0,0,0|2,0,0]=4 47 B5R0.3 CC(CN)CO CS-0447291 [2,0,0,0,0,0|1,0,0]=3 48 B5R0.3 CC(CO)CBr CS-0139638 [2,0,0,0,0,0|1,0,0]=3 49 B5R0.3 CC(CO)CO CS-0021060 [2,0,0,0,0,0|0,0,0]=2 50 B5R0.3 CCC(N)CC CS-0128806 [2,0,0,0,0,0|2,0,0]=4 51 B5R0.3 CCC(O)CC CS-0128838 [2,0,0,0,0,0|2,0,0]=4 52 B5R0.3 CCC(O)CN CS-0109319 [2,0,0,0,0,0|2,0,0]=4 53 B5R0.3 CC[C@@H](C)CBr CS-0539690 [2,0,0,0,0,0|2,0,0]=4 54 B5R0.3 CC[C@@H](N)CO CS-W020734 [2,0,0,0,0,0|1,0,0]=3 55 B5R0.3 CC[C@H](C)CO CS-0139702 [2,0,0,0,0,0|1,0,0]=3 56 B5R0.3 CC[C@H](N)CO CS-W013745 [2,0,0,0,0,0|1,0,0]=3 57 B5R0.3 CC[C@H](O)CO CS-0031373 [2,0,0,0,0,0|1,0,0]=3 58 B5R0.3 CNC(C)CO CS-0197105 [2,0,0,0,0,0|2,0,0]=4 59 B5R0.3 CN[C@@H](C)CO CS-0139480 [2,0,0,0,0,0|2,0,0]=4 60 B5R0.3 CN[C@@H](C)CO CS-0162089 [2,0,0,0,0,0|2,0,0]=4 61 B5R0.3 CN[C@H](C)CO CS-0162211 [2,0,0,0,0,0|2,0,0]=4 62 B5R0.3 CO[C@@H](C)CO CS-0096324 [2,0,0,0,0,0|2,0,0]=4 63 B5R0.3 CO[C@H](C)CO CS-W011349 [2,0,0,0,0,0|2,0,0]=4 64 B5R0.3 C[C@@H](CO)CBr CS-0101486 [2,0,0,0,0,0|1,0,0]=3 65 B5R0.3 NC(CO)CO CS-W007357 [2,0,0,0,0,0|0,0,0]=2 66 B5R0.3 NC(CO)CO CS-W011141 [2,0,0,0,0,0|0,0,0]=2 67 B5R0.3 NCC(O)CCl CS-W006320 [2,0,0,0,0,0|2,0,0]=4 68 B5R0.3 NCC(O)CN CS-W007600 [2,0,0,0,0,0|2,0,0]=4 69 B5R0.3 NCC(O)CO CS-W002040 [2,0,0,0,0,0|1,0,0]=3 70 B5R0.3 NC[C@@H](F)CO CS-0053486 [2,0,0,0,0,0|2,0,0]=4 71 B5R0.3 NC[C@@H](O)CCl CS-0162224 [2,0,0,0,0,0|2,0,0]=4 72 B5R0.3 NC[C@@H](O)CO CS-W002683 [2,0,0,0,0,0|1,0,0]=3 73 B5R0.3 NC[C@H](F)CO CS-0053431 [2,0,0,0,0,0|2,0,0]=4 74 B5R0.3 NC[C@H](O)CCl CS-W021152 [2,0,0,0,0,0|2,0,0]=4 75 B5R0.3 O=C(CO)CO CS-W019614 [2,0,0,0,0,0|0,0,2]=4 76 B5R0.3 O=CC(O)CO CS-0102543 [2,0,0,0,0,0|0,0,2]=4 77 B5R0.3 OC(CBr)CBr CS-W014808 [2,0,0,0,0,0|2,0,0]=4 78 B5R0.3 OCC(Cl)CO CS-0640889 [2,0,0,0,0,0|1,0,0]=3 79 B5R0.3 OCC(O)CBr CS-W018026 [2,0,0,0,0,0|1,0,0]=3 80 B5R0.3 OCC(O)CO CS-6964 [2,0,0,0,0,0|0,0,0]=2 81 B5R0.3 OCC(O)CS CS-W011288 [2,0,0,0,0,0|0,1,0]=3 82 B5R0.3 OCC(S)CS CS-0013059 [2,0,0,0,0,0|0,2,0]=4 83 B5R0.3 OC[C@@H](O)CCl CS-W018500 [2,0,0,0,0,0|1,0,0]=3 84 B5R0.3 [C@@H](O)(CC)CO CS-W005888 [2,0,0,0,0,0|1,0,0]=3 85 B5R0.3 [C@H](O)(CN)CO CS-W017771 [2,0,0,0,0,0|1,0,0]=3 86 B5R0.3 [C@H](O)(CO)CCl CS-W011275 [2,0,0,0,0,0|1,0,0]=3 87 B5R0.4 CC(C)(C)CN CS-0996828 [2,0,0,0,0,0|2,0,0]=4 88 B5R0.4 CC(C)(C)CN CS-W019134 [2,0,0,0,0,0|2,0,0]=4 89 B5R0.4 CC(C)(C)NO CS-0130269 [2,0,0,0,0,0|2,0,0]=4 90 B5R0.4 CC(C)(C)NO CS-W022903 [2,0,0,0,0,0|2,0,0]=4 91 B5R0.4 CC(C)(Cl)CCl CS-0186289 [2,0,0,0,0,0|2,0,0]=4 92 B5R0.4 CC(C)(F)CBr CS-0154615 [2,0,0,0,0,0|2,0,0]=4 93 B5R0.4 CC(C)(F)CN CS-0060975 [2,0,0,0,0,0|2,0,0]=4 94 B5R0.4 CC(C)(F)CO CS-D1107 [2,0,0,0,0,0|1,0,0]=3 95 B5R0.4 CC(C)(N)C#N CS-W005215 [2,0,0,0,0,0|1,0,1]=4 96 B5R0.4 CC(C)(N)CN CS-0058986 [2,0,0,0,0,0|1,0,0]=3 97 B5R0.4 CC(C)(N)CO CS-0129831 [2,0,0,0,0,0|0,0,0]=2 98 B5R0.4 CC(C)(N)CO CS-W013743 [2,0,0,0,0,0|0,0,0]=2 99 B5R0.4 CC(C)(O)CBr CS-0139635 [2,0,0,0,0,0|2,0,0]=4 100 B5R0.4 CC(C)(O)CCl CS-0030576 [2,0,0,0,0,0|2,0,0]=4 101 B5R0.4 CC(C)(O)CN CS-W008799 [2,0,0,0,0,0|2,0,0]=4 102 B5R0.4 CC(C)(O)CO CS-W005057 [2,0,0,0,0,0|1,0,0]=3 103 B5R0.4 CC(C)(S)CN CS-0140693 [2,0,0,0,0,0|2,0,0]=4 104 B5R0.4 CCC(C)(C)Br CS-0204230 [2,0,0,0,0,0|2,0,0]=4 105 B7R0.13 CC(C)(CO)C(=O)O CS-W011224 [1,1,0,0,0,0|1,0,1]=4 106 B7R0.13 CC[C@@](C)(N)C(=O)O CS-W008544 [1,1,0,0,0,0|1,0,1]=4 107 B7R0.13 CC[C@](C)(N)C(=O)O CS-0433358 [1,1,0,0,0,0|1,0,1]=4 108 B7R0.13 CC[C@](C)(N)C(=O)O CS-W020180 [1,1,0,0,0,0|1,0,1]=4 109 B7R0.13 C[C@@](N)(CO)C(=O)O CS-0136603 [1,1,0,0,0,0|0,0,1]=3 110 B7R0.13 C[C@@](N)(CS)C(=O)O CS-0308069 [1,1,0,0,0,0|0,1,1]=4 111 B7R0.13 C[C@](N)(CO)C(=O)O CS-W008467 [1,1,0,0,0,0|0,0,1]=3 112 B7R0.12 CCCC(CO)CO CS-W011220 [1,1,0,0,0,0|1,0,0]=3 113 B7R0.15 CC(C)C(CN)CO CS-0144311 [1,1,0,0,0,0|2,0,0]=4 114 B9R0.78 CCC(CO)(CO)C(=O)O CS-W018189 [0,2,0,0,0,0|1,0,1]=4 115 B9R0.78 O=[N+]([O-])C(CO)(CO)CO CS-W018127 [0,2,0,0,0,0|0,0,1]=3 116 B7R1.14 CC1(N)CCCC1 CS-0119714 [1,0,0,1,0,0|2,0,0]=4 117 B7R1.14 CC1(N)CCOC1 CS-0184318 [1,0,0,1,0,0|1,0,0]=3 118 B7R1.25 CC1(CBr)COC1 CS-W002970 [1,0,0,1,0,0|2,0,0]=4 119 B7R1.25 CC1(CI)COC1 CS-0051679 [1,0,0,1,0,0|2,0,0]=4 120 B7R1.25 CC1(CN)COC1 CS-W008726 [1,0,0,1,0,0|2,0,0]=4 121 B7R1.25 CC1(CO)CCC1 CS-0072446 [1,0,0,1,0,0|2,0,0]=4 122 B7R1.25 CC1(CO)COC1 CS-W007726 [1,0,0,1,0,0|1,0,0]=3 123 B7R1.25 NC1(CO)CCC1 CS-0053661 [1,0,0,1,0,0|1,0,0]=3 124 B7R1.25 NC1(CO)COC1 CS-0040896 [1,0,0,1,0,0|0,0,0]=2 125 B7R1.25 NCC1(O)COC1 CS-0051726 [1,0,0,1,0,0|2,0,0]=4 126 B7R1.29 NCC1(CO)CC1 CS-0072215 [1,0,0,1,0,0|2,0,0]=4 127 B7R1.29 OCC1(CO)CC1 CS-W002626 [1,0,0,1,0,0|1,0,0]=3 128 B7R1.1 BrCC1CCOC1 CS-W004268 [1,0,0,1,0,0|2,0,0]=4 129 B7R1.1 ICC1CCOC1 CS-W004269 [1,0,0,1,0,0|2,0,0]=4 130 B7R1.1 NCC1CCOC1 CS-W004787 [1,0,0,1,0,0|2,0,0]=4 131 B7R1.1 NC[C@@H]1CCOC1 CS-0053039 [1,0,0,1,0,0|2,0,0]=4 132 B7R1.1 NC[C@@H]1CCOC1 CS-0053252 [1,0,0,1,0,0|2,0,0]=4 133 B7R1.1 NC[C@H]1CCOC1 CS-0053315 [1,0,0,1,0,0|2,0,0]=4 134 B7R1.1 OCC1CC=CC1 CS-W003141 [1,0,0,1,0,0|2,0,0]=4 135 B7R1.1 OCC1CCCC1 CS-W001923 [1,0,0,1,0,0|2,0,0]=4 136 B7R1.1 OCC1CCNC1 CS-W019882 [1,0,0,1,0,0|2,0,0]=4 137 B7R1.1 OCC1CCOC1 CS-D1159 [1,0,0,1,0,0|1,0,0]=3 138 B7R1.1 OC[C@@H]1CCNC1 CS-0005415 [1,0,0,1,0,0|2,0,0]=4 139 B7R1.1 OC[C@H]1CCNC1 CS-W008960 [1,0,0,1,0,0|2,0,0]=4 140 B9R1.204 OCC1(CO)CCCC1 CS-B1205 [0,1,0,1,0,0|2,0,0]=4 141 B9R1.118 CC1(CO)CCOCC1 CS-0054747 [0,1,0,1,0,0|2,0,0]=4 142 B9R1.118 NC1(CO)CCCCC1 CS-0146523 [0,1,0,1,0,0|2,0,0]=4 143 B9R1.118 NC1(CO)CCOCC1 CS-0053212 [0,1,0,1,0,0|1,0,0]=3