0 B7R0.4 C#CCCCC(=O)O CS-W009272 [0,0,0,0,0,0|1,0,2]=3 1 B7R0.4 C#CCOCC(=O)O CS-0070099 [0,0,0,0,0,0|2,0,2]=4 2 B7R0.4 CC(=O)OCCCCl CS-W017752 [0,0,0,0,0,0|2,0,0]=2 3 B7R0.4 CCO\C=C\C(=O)O CS-W019195 [0,0,0,0,0,0|2,0,2]=4 4 B7R0.4 COC\C=C\C(=O)O CS-0100437 [0,0,0,0,0,0|2,0,2]=4 5 B7R0.4 O=C(O)CCCCBr CS-W017172 [0,0,0,0,0,0|2,0,0]=2 6 B7R0.4 O=C(O)CCCCCl CS-W022362 [0,0,0,0,0,0|2,0,0]=2 7 B7R0.4 O=C([O-])CCCCO CS-0047732 [0,0,0,0,0,0|2,0,0]=2 8 B6R0.4 C#CCCC(=O)O CS-W008784 [1,0,0,0,0,0|1,0,2]=4 9 B6R0.4 C=CCCC(=O)O CS-W009138 [1,0,0,0,0,0|1,0,2]=4 10 B6R0.4 CC(=O)NCCN CS-W013694 [1,0,0,0,0,0|2,0,0]=3 11 B6R0.4 CC(=O)NCCO CS-W013689 [1,0,0,0,0,0|2,0,0]=3 12 B6R0.4 CC(C)CCCO CS-W007511 [1,0,0,0,0,0|2,0,1]=4 13 B6R0.4 CCOCC(=O)O CS-0071579 [1,0,0,0,0,0|2,0,0]=3 14 B6R0.4 CNCCC(C)C CS-W018343 [1,0,0,0,0,0|2,0,1]=4 15 B6R0.4 CNCCN(C)C CS-W022914 [1,0,0,0,0,0|3,0,0]=4 16 B6R0.4 CO\C=C\C(C)=O CS-W013712 [1,0,0,0,0,0|1,0,2]=4 17 B6R0.4 N#CCCC(=O)O CS-W018565 [1,0,0,0,0,0|2,0,1]=4 18 B6R0.4 O=C(O)CCCBr CS-W016047 [1,0,0,0,0,0|2,0,0]=3 19 B6R0.6 BrCCCCCBr CS-W019956 [1,0,0,0,0,0|2,0,1]=4 20 B6R0.6 C=CCCCCO CS-W013711 [1,0,0,0,0,0|1,0,1]=3 21 B6R0.6 N#CCCCCBr CS-D1429 [1,0,0,0,0,0|2,0,1]=4 22 B6R0.6 N#CCCCCCl CS-W022361 [1,0,0,0,0,0|2,0,1]=4 23 B6R0.6 OCCCCCO CS-W020635 [1,0,0,0,0,0|1,0,2]=4 24 B8R0.5 CCC\C(C)=C\C(=O)O CS-0072967 [0,1,0,0,0,0|1,0,2]=4 25 B8R0.6 COC(=O)CCCCCl CS-0098043 [0,1,0,0,0,0|1,0,0]=2 26 B8R0.6 COC(=O)CCCCN CS-0018002 [0,1,0,0,0,0|1,0,0]=2 27 B8R0.6 COCCCC(=O)OC CS-W011093 [0,1,0,0,0,0|1,0,0]=2 28 B8R0.7 C=CCCCCC(=O)O CS-0097711 [0,1,0,0,0,0|1,0,1]=3 29 B8R0.7 CC(C)NCCCCO CS-M3069 [0,1,0,0,0,0|2,0,1]=4 30 B8R0.7 COCCOCC(=O)O CS-0084611 [0,1,0,0,0,0|2,0,0]=3 31 B8R0.7 N=C(N)NCCCCN CS-0058963 [0,1,0,0,0,0|3,0,0]=4 32 B8R0.7 O=C(O)CCCCCCl CS-W018132 [0,1,0,0,0,0|1,0,0]=2 33 B8R0.8 C=CCC[C@H](N)C(=O)O CS-0100618 [0,1,0,0,0,0|1,0,2]=4 34 B8R0.21 CCCCOS(C)(=O)=O CS-W018582 [0,1,0,0,0,0|2,0,0]=3 35 B8R0.21 NCCCCP(=O)(O)O CS-W019288 [0,1,0,0,0,0|3,0,0]=4 36 B8R0.28 CC(=O)NCCC(=O)O CS-0005652 [0,1,0,0,0,0|2,0,1]=4 37 B8R1.1 C=CC1COC(=O)C1 CS-B0698 [0,0,0,1,0,0|1,0,2]=4 38 B8R1.1 NC[C@H]1CCC(=O)N1 CS-0105178 [0,0,0,1,0,0|2,0,0]=3 39 B8R1.1 O=C1CCC(CBr)O1 CS-M2142 [0,0,0,1,0,0|2,0,0]=3 40 B8R1.1 O=C1CC[C@@H](CO)N1 CS-B0366 [0,0,0,1,0,0|2,0,0]=3 41 B8R1.1 O=C1N[C@@H](CO)CO1 CS-0067476 [0,0,0,1,0,0|3,0,0]=4 42 B8R1.4 CC1CNCC(C)C1 CS-W011255 [0,0,0,1,0,0|2,0,1]=4 43 B8R1.4 C[C@@H]1CNC[C@@H](C)N1 CS-0001868 [0,0,0,1,0,0|2,0,1]=4 44 B8R1.4 NC1=CC(=O)CCC1 CS-0032855 [0,0,0,1,0,0|1,0,2]=4 45 B8R1.7 O=C(O)C1=CCCC1 CS-W005540 [0,0,0,1,0,0|1,0,2]=4 46 B8R1.7 O=C(O)C1CCCN1 CS-W013624 [0,0,0,1,0,0|2,0,0]=3 47 B8R1.7 O=C(O)C1CCCO1 CS-W018496 [0,0,0,1,0,0|2,0,0]=3 48 B8R1.7 O=C(O)C1CCNC1 CS-W019683 [0,0,0,1,0,0|2,0,0]=3 49 B8R1.7 O=C(O)[C@@H]1CSCN1 CS-W013392 [0,0,0,1,0,0|3,0,0]=4 50 B8R1.7 O=C(O)[C@H]1CSCN1 CS-0097362 [0,0,0,1,0,0|3,0,0]=4 51 B8R1.7 [C@H]1(N(C)C)CCNC1 CS-W016864 [0,0,0,1,0,0|3,0,0]=4 52 B8R1.34 O=C(O)CC1CCC1 CS-D0460 [0,0,0,1,0,0|1,0,0]=2 53 B8R1.72 CC1(C)CCNCC1 CS-W005691 [0,0,0,1,0,0|2,0,1]=4 54 B8R1.72 CC1(N)CCCCC1 CS-0037804 [0,0,0,1,0,0|1,0,1]=3 55 B8R1.72 CC1(O)CCCCC1 CS-W013634 [0,0,0,1,0,0|0,0,2]=3 56 B8R1.72 CC1(O)CCNCC1 CS-M0531 [0,0,0,1,0,0|1,0,2]=4 57 B8R1.72 CC1(O)CCNCC1 CS-W004838 [0,0,0,1,0,0|1,0,2]=4 58 B8R1.72 C[Si]1(C)CCNCC1 CS-0043662 [0,0,0,1,0,0|2,1,0]=4 59 B8R1.72 O=S1(=O)CCCCO1 CS-W018691 [0,0,0,1,0,0|3,0,0]=4 60 B8R1.72 O=S1(=O)CCNCC1 CS-W005419 [0,0,0,1,0,0|3,0,0]=4 61 B8R1.72 O=S1(=O)CCNCC1 CS-W009111 [0,0,0,1,0,0|3,0,0]=4 62 B5R0.1 CC(=O)CC#N CS-W020196 [2,0,0,0,0,0|1,0,1]=4 63 B5R0.1 CC(=O)CCCl CS-W022162 [2,0,0,0,0,0|1,0,0]=3 64 B5R0.1 CNCC(=O)O CS-W013507 [2,0,0,0,0,0|2,0,0]=4 65 B5R0.1 COCC(=O)O CS-W020123 [2,0,0,0,0,0|2,0,0]=4 66 B5R0.2 C=CCCCBr CS-W018483 [2,0,0,0,0,0|1,0,1]=4 67 B5R0.2 CNCCNC CS-0020009 [2,0,0,0,0,0|2,0,0]=4 68 B5R0.2 COCCCBr CS-W010945 [2,0,0,0,0,0|2,0,0]=4 69 B5R0.2 COCCCO CS-W020636 [2,0,0,0,0,0|1,0,1]=4 70 B5R0.2 ClCCCCI CS-W019348 [2,0,0,0,0,0|2,0,0]=4 71 B5R0.2 NCCCCBr CS-W005399 [2,0,0,0,0,0|2,0,0]=4 72 B5R0.2 NCCCCF CS-0098954 [2,0,0,0,0,0|2,0,0]=4 73 B7R0.2 NC[C@@H](O)CC(=O)O CS-W023137 [1,1,0,0,0,0|2,0,0]=4 74 B7R0.2 [C@H](O)(CN)CC(=O)O CS-W005749 [1,1,0,0,0,0|2,0,0]=4 75 B7R0.3 COC(=O)CCCBr CS-W004701 [1,1,0,0,0,0|1,0,0]=3 76 B7R0.3 COC(=O)CCCCl CS-0001466 [1,1,0,0,0,0|1,0,0]=3 77 B7R0.5 COC[C@@H](N)C(=O)O CS-0031341 [1,1,0,0,0,0|2,0,0]=4 78 B7R0.5 NCCC(N)C(=O)O CS-W010735 [1,1,0,0,0,0|2,0,0]=4 79 B7R0.5 N[C@H](CCS)C(=O)O CS-M1780 [1,1,0,0,0,0|2,0,0]=4 80 B7R0.5 [C@H](N)(CCN)C(=O)O CS-W010734 [1,1,0,0,0,0|2,0,0]=4 81 B7R0.6 CC(=O)NNC(C)C CS-M2559 [1,1,0,0,0,0|2,0,0]=4 82 B7R0.8 CS(=O)(=O)CCCO CS-W004952 [1,1,0,0,0,0|2,0,0]=4 83 B7R0.1 C=CCCCCCBr CS-W009270 [1,1,0,0,0,0|0,0,1]=3 84 B7R0.1 ClCCCCCCBr CS-W010503 [1,1,0,0,0,0|1,0,1]=4 85 B9R0.6 CCC[C@@H](N)C(O)C(N)=O CS-M1863 [0,2,0,0,0,0|1,0,0]=3 86 B9R0.6 CCOC(=O)C(C)C(C)=O CS-W004822 [0,2,0,0,0,0|1,0,1]=4 87 B9R0.34 CCCC(=O)CC(=O)OC CS-W005176 [0,2,0,0,0,0|0,0,1]=3 88 B9R0.34 CCOC(=O)CC(=O)CC CS-W019881 [0,2,0,0,0,0|1,0,1]=4 89 B9R0.34 CCOC(=O)CC(=O)CCl CS-D1440 [0,2,0,0,0,0|1,0,1]=4 90 B9R0.34 COCC(=O)CC(=O)OC CS-W007767 [0,2,0,0,0,0|1,0,1]=4 91 B9R0.53 CC(C)CC(N)CC(=O)O CS-W021839 [0,2,0,0,0,0|1,0,0]=3 92 B9R0.58 CCCC(C)(O)CC(=O)O CS-W021935 [0,2,0,0,0,0|1,0,0]=3 93 B9R0.1 COC(=O)CCCC(C)=O CS-0090564 [0,2,0,0,0,0|0,0,1]=3 94 B9R0.46 COC(=O)CCCCCBr CS-W015176 [0,2,0,0,0,0|0,0,0]=2 95 B9R0.48 C=C(C)CCC(=O)OCC CS-W018285 [0,2,0,0,0,0|1,0,1]=4 96 B9R0.56 O=C(O)CCCC(F)(F)F CS-M3258 [0,2,0,0,0,0|2,0,0]=4 97 B7R1.2 C[C@H]1COC(=O)O1 CS-W011314 [1,0,0,1,0,0|2,0,0]=4 98 B7R1.2 N[C@@H]1COC(=O)C1 CS-W009169 [1,0,0,1,0,0|2,0,0]=4 99 B7R1.2 O=C1CC(O)CN1 CS-W018808 [1,0,0,1,0,0|2,0,0]=4 100 B7R1.2 O=C1CCC(=O)C1 CS-D0815 [1,0,0,1,0,0|1,0,1]=4 101 B7R1.2 O=C1C[C@@H](O)CN1 CS-W013709 [1,0,0,1,0,0|2,0,0]=4 102 B7R1.3 NN1CCCCC1 CS-W007639 [1,0,0,1,0,0|2,0,0]=4 103 B7R1.3 O=C1CCNCC1 CS-W018762 [1,0,0,1,0,0|1,0,0]=3 104 B7R1.3 O=C1CCNCC1 CS-W020094 [1,0,0,1,0,0|1,0,0]=3 105 B7R1.3 O=C1COCCN1 CS-D1427 [1,0,0,1,0,0|2,0,0]=4 106 B7R1.3 O=C1COCCO1 CS-0031423 [1,0,0,1,0,0|2,0,0]=4 107 B7R1.3 O=C1CSCCN1 CS-W019146 [1,0,0,1,0,0|2,0,0]=4 108 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I CS-M3337 [1,0,0,1,0,0|2,0,0]=4 109 B7R1.12 O=C(O)[C@@H]1C[C@H]1F CS-W000621 [1,0,0,1,0,0|2,0,0]=4 110 B7R1.18 NC(=O)C1CCC1 CS-D0904 [1,0,0,1,0,0|1,0,0]=3 111 B7R1.18 O=C(O)C1CCC1 CS-W011325 [1,0,0,1,0,0|1,0,0]=3 112 B7R1.1 BrCC1CCCC1 CS-W004985 [1,0,0,1,0,0|1,0,1]=4 113 B7R1.1 CO[C@@H]1CCNC1 CS-W021134 [1,0,0,1,0,0|2,0,0]=4 114 B7R1.1 CO[C@H]1CCNC1 CS-0031390 [1,0,0,1,0,0|2,0,0]=4 115 B7R1.4 N[C@H]1CCOC1=O CS-0022019 [1,0,0,1,0,0|2,0,0]=4 116 B7R1.4 O=C1NCCC1O CS-W005201 [1,0,0,1,0,0|2,0,0]=4 117 B7R1.4 O=C1OCCC1O CS-W013699 [1,0,0,1,0,0|2,0,0]=4 118 B7R1.24 C1CNCCNC1 CS-W007768 [1,0,0,1,0,0|2,0,0]=4 119 B9R1.13 O=C(O)C[C@H]1CCCN1 CS-0031343 [0,1,0,1,0,0|1,0,0]=3 120 B9R1.41 CN1CCC[C@@H]1C(=O)O CS-W001913 [0,1,0,1,0,0|1,0,0]=3 121 B9R1.41 CN1CCC[C@H]1C(=O)O CS-B1517 [0,1,0,1,0,0|1,0,0]=3 122 B9R1.1 CCC1CCC(=O)CC1 CS-W011153 [0,1,0,1,0,0|0,0,0]=2 123 B9R1.1 N#CC1CCC(=O)CC1 CS-D0281 [0,1,0,1,0,0|1,0,1]=4 124 B9R1.2 CN1CCCC(CN)C1 CS-B1372 [0,1,0,1,0,0|2,0,0]=4 125 B9R1.2 CN1CCC[C@H](CO)C1 CS-B0136 [0,1,0,1,0,0|2,0,0]=4 126 B9R1.5 NC1CCCCNC1=O CS-M1433 [0,1,0,1,0,0|1,0,0]=3 127 B9R1.11 CNC(=O)[C@@H]1CCCN1 CS-WAA0154 [0,1,0,1,0,0|1,0,0]=3 128 B9R1.11 COC(=O)C1=CCCC1 CS-D0999 [0,1,0,1,0,0|0,0,2]=4 129 B9R1.11 COC(=O)C1CCCN1 CS-W004744 [0,1,0,1,0,0|1,0,0]=3 130 B9R1.11 COC(=O)[C@@H]1CCCN1 CS-M0706 [0,1,0,1,0,0|1,0,0]=3 131 B9R1.11 [C@H]1(C(=O)OC)CCCN1 CS-W010818 [0,1,0,1,0,0|1,0,0]=3 132 B9R1.50 O=C1CCCCCCN1 CS-W022575 [0,1,0,1,0,0|0,0,0]=2 133 B9R1.89 N#CC1CCCCCC1 CS-0079887 [0,1,0,1,0,0|1,0,1]=4 134 B9R1.89 OC[C@@H]1CCCCCN1 CS-B0632 [0,1,0,1,0,0|1,0,1]=4 135 B9R1.118 NCC1(N)CCCCC1 CS-0064736 [0,1,0,1,0,0|1,0,1]=4 136 B9R1.6 CC(=O)C1CCCCC1 CS-W007597 [0,1,0,1,0,0|0,0,0]=2 137 B9R1.6 CC(=O)C1CCOCC1 CS-D1226 [0,1,0,1,0,0|0,0,0]=2 138 B9R1.6 CC(=O)N1CCNCC1 CS-W007382 [0,1,0,1,0,0|1,0,0]=3 139 B9R1.6 N=C(O)C1CCNCC1 CS-W013464 [0,1,0,1,0,0|1,0,1]=4 140 B9R1.6 O=C(O)C1CC=CCC1 CS-W011160 [0,1,0,1,0,0|1,0,1]=4 141 B9R1.6 O=C(O)C1CCCNC1 CS-W020556 [0,1,0,1,0,0|1,0,0]=3 142 B9R1.6 O=C(O)C1CCNCC1 CS-D1472 [0,1,0,1,0,0|1,0,0]=3 143 B9R1.6 O=C(O)C1COCCN1 CS-W001894 [0,1,0,1,0,0|2,0,0]=4 144 B9R1.6 O=C(O)N1CCCCC1 CS-0084306 [0,1,0,1,0,0|1,0,0]=3 145 B9R1.6 O=C(O)[C@@H]1CCCCN1 CS-0097749 [0,1,0,1,0,0|1,0,0]=3 146 B9R1.6 O=C(O)[C@@H]1CNCCN1 CS-B0619 [0,1,0,1,0,0|2,0,0]=4 147 B9R1.6 O=C(O)[C@@H]1CNCCO1 CS-0031402 [0,1,0,1,0,0|2,0,0]=4 148 B9R1.6 O=C(O)[C@@H]1COCCN1 CS-0043806 [0,1,0,1,0,0|2,0,0]=4 149 B9R1.6 O=C(O)[C@H]1CCCNC1 CS-0043826 [0,1,0,1,0,0|1,0,0]=3 150 B9R1.6 O=C(O)[C@H]1CNCCN1 CS-D1376 [0,1,0,1,0,0|2,0,0]=4 151 B9R1.6 O=C(O)[C@H]1CNCCO1 CS-0102851 [0,1,0,1,0,0|2,0,0]=4 152 B9R1.6 O=C(O)[C@H]1COCCN1 CS-0053321 [0,1,0,1,0,0|2,0,0]=4 153 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 CS-0101213 [0,1,0,1,0,0|2,0,0]=4 154 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 CS-M0679 [0,1,0,1,0,0|2,0,0]=4 155 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 CS-0020162 [0,1,0,1,0,0|2,0,0]=4 156 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 CS-W003511 [0,1,0,1,0,0|2,0,0]=4 157 B9R1.110 NC(C(=O)O)C1CCC1 CS-D0010 [0,1,0,1,0,0|1,0,0]=3 158 B9R1.163 C[C@@]1(C(=O)O)CCCN1 CS-M1365 [0,1,0,1,0,0|2,0,0]=4 159 B9R1.163 C[C@]1(C(=O)O)CCCN1 CS-M3406 [0,1,0,1,0,0|2,0,0]=4 160 B9R1.163 NC1(C(=O)O)CCCC1 CS-B0093 [0,1,0,1,0,0|1,0,0]=3 161 B9R1.163 NC1(C(=O)O)CCNC1 CS-M0821 [0,1,0,1,0,0|2,0,0]=4 162 B9R1.10 CC1(C)CCC(O)CC1 CS-W019410 [0,1,0,1,0,0|1,0,1]=4 163 B9R1.10 NC1CCS(=O)(=O)CC1 CS-D1060 [0,1,0,1,0,0|2,0,0]=4