0 B7R1.2 CC1=NNC(=S)O1 CS-0061408 [0,0,0,0,0,0|2,1,1]=4 1 B7R1.2 CN1CCC(O)C1 CS-M2838 [0,0,0,0,0,0|2,0,2]=4 2 B7R1.2 C[C@H]1COC(=O)O1 CS-W011314 [0,0,0,0,0,0|1,0,0]=1 3 B7R1.2 N[C@@H]1COC(=O)C1 CS-W009169 [0,0,0,0,0,0|3,0,0]=3 4 B7R1.2 O=C1CC(O)CN1 CS-W018808 [0,0,0,0,0,0|3,0,0]=3 5 B7R1.2 O=C1CCC(=O)C1 CS-D0815 [0,0,0,0,0,0|2,0,1]=3 6 B7R1.2 O=C1C[C@@H](O)CN1 CS-W013709 [0,0,0,0,0,0|3,0,0]=3 7 B6R1.2 CC1=NN=CO1 CS-W018813 [1,0,0,0,0,0|2,0,1]=4 8 B6R1.2 NC1CC=CC1 CS-W022621 [1,0,0,0,0,0|2,0,1]=4 9 B6R1.2 NC1CCNC1 CS-W016190 [1,0,0,0,0,0|3,0,0]=4 10 B6R1.2 O=C1C=CCC1 CS-W011359 [1,0,0,0,0,0|1,0,1]=3 11 B6R1.2 O=C1C=CCO1 CS-W008270 [1,0,0,0,0,0|0,0,2]=3 12 B6R1.2 O=C1CCOC1 CS-D1574 [1,0,0,0,0,0|2,0,0]=3 13 B6R1.2 O=C1NCCS1 CS-W023026 [1,0,0,0,0,0|1,1,0]=3 14 B6R1.2 OC1CCNC1 CS-W022946 [1,0,0,0,0,0|3,0,0]=4 15 B6R1.2 O[C@@H]1CCNC1 CS-B1358 [1,0,0,0,0,0|3,0,0]=4 16 B6R1.2 O[C@@H]1CCNC1 CS-M0933 [1,0,0,0,0,0|3,0,0]=4 17 B6R1.2 O[C@@H]1CCOC1 CS-W002310 [1,0,0,0,0,0|3,0,0]=4 18 B6R1.2 O[C@H]1CCNC1 CS-M0906 [1,0,0,0,0,0|3,0,0]=4 19 B6R1.2 [C@@H]1(C)CCNC1 CS-0044082 [1,0,0,0,0,0|2,0,0]=3 20 B6R1.2 [C@H]1(F)CCNC1 CS-W004695 [1,0,0,0,0,0|3,0,0]=4 21 B8R1.1 C=CC1COC(=O)C1 CS-B0698 [0,1,0,0,0,0|2,0,1]=4 22 B8R1.1 CC1=NC=C(C=O)O1 CS-W021727 [0,1,0,0,0,0|1,0,2]=4 23 B8R1.1 NC[C@H]1CCC(=O)N1 CS-0105178 [0,1,0,0,0,0|1,0,0]=2 24 B8R1.1 O=C1CCC(CBr)O1 CS-M2142 [0,1,0,0,0,0|0,0,0]=1 25 B8R1.1 O=C1CC[C@@H](CO)N1 CS-B0366 [0,1,0,0,0,0|1,0,0]=2 26 B8R1.1 O=C1N[C@@H](CO)CO1 CS-0067476 [0,1,0,0,0,0|2,0,0]=3 27 B8R1.50 CC1C(=O)CCC1=O CS-W013660 [0,1,0,0,0,0|2,0,1]=4 28 B8R1.50 O=C1CCC(=O)N1I CS-W008878 [0,1,0,0,0,0|2,0,1]=4 29 B8R1.51 CC1(C)CCC(=O)N1 CS-W022267 [0,1,0,0,0,0|1,0,0]=2 30 B8R1.51 N[C@@H]1CCS(=O)(=O)C1 CS-B0948 [0,1,0,0,0,0|3,0,0]=4 31 B6R0.1 CC#CC(=O)OC CS-0066219 [0,0,1,0,0,0|2,0,1]=4 32 B6R0.1 CCCC(Cl)CC CS-0102884 [0,0,1,0,0,0|2,0,1]=4 33 B6R0.1 CCOC(=O)C#N CS-0022374 [0,0,1,0,0,0|1,0,1]=3 34 B6R0.1 CCOC(=O)CO CS-W019892 [0,0,1,0,0,0|1,0,0]=2 35 B6R0.1 CCO\C(O)=N\N CS-W008412 [0,0,1,0,0,0|2,0,1]=4 36 B6R0.1 COC(=O)CCBr CS-W008728 [0,0,1,0,0,0|3,0,0]=4 37 B6R0.2 CC(=O)NC(C)C CS-M3536 [0,0,1,0,0,0|1,0,0]=2 38 B6R0.2 CC(=O)\C=C(\C)N CS-0095595 [0,0,1,0,0,0|2,0,1]=4 39 B6R0.2 CC(=O)\C=C(\C)[O-] CS-0035182 [0,0,1,0,0,0|2,0,1]=4 40 B6R0.2 CC(=O)\C=C(\C)[O-] CS-0085625 [0,0,1,0,0,0|2,0,1]=4 41 B6R0.2 CC(O)CC(=O)[O-] CS-W011168 [0,0,1,0,0,0|3,0,0]=4 42 B6R0.2 [C@H](C)(O)CC(=O)[O-] CS-W016567 [0,0,1,0,0,0|3,0,0]=4 43 B6R0.4 C#CCCC(=O)O CS-W008784 [0,0,1,0,0,0|0,0,2]=3 44 B6R0.4 C=CCCC(=O)O CS-W009138 [0,0,1,0,0,0|0,0,2]=3 45 B6R0.4 CC(=O)NCCN CS-W013694 [0,0,1,0,0,0|3,0,0]=4 46 B6R0.4 CC(=O)NCCO CS-W013689 [0,0,1,0,0,0|3,0,0]=4 47 B6R0.4 CC(C)CCCO CS-W007511 [0,0,1,0,0,0|1,0,2]=4 48 B6R0.4 CCOCC(=O)O CS-0071579 [0,0,1,0,0,0|1,0,0]=2 49 B6R0.4 CNCCC(C)C CS-W018343 [0,0,1,0,0,0|3,0,0]=4 50 B6R0.4 N#CCCC(=O)O CS-W018565 [0,0,1,0,0,0|1,0,1]=3 51 B6R0.4 O=C(O)CCCBr CS-W016047 [0,0,1,0,0,0|1,0,0]=2 52 B6R1.5 NC1CC(=O)C1 CS-W005321 [0,0,0,0,1,0|2,0,0]=3 53 B8R1.3 CC1CCC(O)CC1 CS-0059254 [0,0,0,0,0,1|1,0,2]=4 54 B8R1.3 CN1CCC(=O)CC1 CS-W009198 [0,0,0,0,0,1|2,0,0]=3 55 B8R1.3 O=C1CC[C@@H](O)CN1 CS-D0041 [0,0,0,0,0,1|2,0,0]=3 56 B8R1.3 O=C1CC[C@H](O)CN1 CS-D0042 [0,0,0,0,0,1|2,0,0]=3 57 B8R1.3 O=C1COC(=O)CO1 CS-0046191 [0,0,0,0,0,1|2,0,1]=4 58 B8R1.4 CC1CNCC(C)C1 CS-W011255 [0,0,0,0,0,1|2,0,1]=4 59 B8R1.4 C[C@@H]1CNC[C@@H](C)N1 CS-0001868 [0,0,0,0,0,1|2,0,1]=4 60 B8R1.4 NC1=CC(=O)CCC1 CS-0032855 [0,0,0,0,0,1|2,0,1]=4 61 B5R0.1 CC#CC(=O)O CS-W007936 [1,0,1,0,0,0|0,0,2]=4 62 B5R0.1 CC(=O)CCCl CS-W022162 [1,0,1,0,0,0|2,0,0]=4 63 B5R0.1 CCCB(O)O CS-W007470 [1,0,1,0,0,0|1,0,1]=4 64 B5R0.1 CCOC(=N)N CS-W019160 [1,0,1,0,0,0|2,0,0]=4 65 B5R0.1 CCOC(=S)[S-] CS-W020193 [1,0,1,0,0,0|1,1,0]=4 66 B5R0.1 CN(C)NC=O CS-M2144 [1,0,1,0,0,0|2,0,0]=4 67 B5R0.1 CNCC(=O)O CS-W013507 [1,0,1,0,0,0|1,0,0]=3 68 B5R0.1 COCC(=O)O CS-W020123 [1,0,1,0,0,0|1,0,0]=3 69 B5R0.1 COC[C@H](C)O CS-0031378 [1,0,1,0,0,0|1,0,1]=4 70 B5R0.1 C[C@@H](N)CCO CS-W013746 [1,0,1,0,0,0|1,0,1]=4 71 B5R0.1 N=C(O)CCN CS-W007497 [1,0,1,0,0,0|2,0,0]=4 72 B5R0.2 C#CCCCO CS-W011358 [1,0,1,0,0,0|1,0,1]=4 73 B5R0.2 C=CCCCBr CS-W018483 [1,0,1,0,0,0|2,0,0]=4 74 B5R0.2 COCCCO CS-W020636 [1,0,1,0,0,0|1,0,1]=4 75 B5R0.3 CCC(Br)CC CS-0015742 [1,0,1,0,0,0|1,0,1]=4 76 B5R0.3 COC(C)CO CS-W011348 [1,0,1,0,0,0|1,0,1]=4 77 B7R0.2 [C@H](C)(O)CC(=O)OC CS-W011223 [0,1,1,0,0,0|2,0,0]=4 78 B7R0.3 COC(=O)CCCBr CS-W004701 [0,1,1,0,0,0|2,0,0]=4 79 B7R0.3 COC(=O)CCCCl CS-0001466 [0,1,1,0,0,0|2,0,0]=4 80 B7R0.5 CCOC(=O)C(=O)[O-] CS-0046170 [0,1,1,0,0,0|1,0,1]=4 81 B7R0.5 CCOC(=O)C(N)=S CS-M2164 [0,1,1,0,0,0|1,0,1]=4 82 B7R0.5 CCOC(=O)[C@@H](C)N CS-W018066 [0,1,1,0,0,0|0,0,0]=2 83 B7R0.7 CC#CC(=O)OCC CS-W009547 [0,1,1,0,0,0|0,0,1]=3 84 B7R0.7 CCOC(=O)CCBr CS-W007449 [0,1,1,0,0,0|0,0,0]=2 85 B7R0.7 CCOC(=O)CNC CS-W020595 [0,1,1,0,0,0|0,0,0]=2 86 B7R0.10 CC[C@@H](N)C(=O)OC CS-0059300 [0,1,1,0,0,0|2,0,0]=4 87 B7R0.16 CC(C)[C@H](O)C(=O)O CS-0000171 [0,1,1,0,0,0|2,0,0]=4 88 B7R0.4 C#CCCCC(=O)O CS-W009272 [0,1,1,0,0,0|0,0,1]=3 89 B7R0.4 C#CCOCC(=O)O CS-0070099 [0,1,1,0,0,0|0,0,2]=4 90 B7R0.4 CC(=O)OCCCCl CS-W017752 [0,1,1,0,0,0|2,0,0]=4 91 B7R0.4 CCO\C=C\C(=O)O CS-W019195 [0,1,1,0,0,0|0,0,2]=4 92 B7R0.4 COC\C=C\C(=O)O CS-0100437 [0,1,1,0,0,0|0,0,2]=4 93 B7R0.4 O=C(O)CCCCBr CS-W017172 [0,1,1,0,0,0|0,0,0]=2 94 B7R0.4 O=C(O)CCCCCl CS-W022362 [0,1,1,0,0,0|0,0,0]=2 95 B7R0.4 O=C([O-])CCCCO CS-0047732 [0,1,1,0,0,0|0,0,1]=3 96 B7R1.1 BrCC1CCCC1 CS-W004985 [1,1,0,0,0,0|1,0,1]=4 97 B7R1.1 BrCC1OCCO1 CS-W021428 [1,1,0,0,0,0|1,0,1]=4 98 B7R1.1 CO[C@@H]1CCNC1 CS-W021134 [1,1,0,0,0,0|2,0,0]=4 99 B7R1.1 CO[C@H]1CCNC1 CS-0031390 [1,1,0,0,0,0|2,0,0]=4 100 B7R1.1 OC[C@@H]1CCCN1 CS-D1460 [1,1,0,0,0,0|1,0,1]=4 101 B7R1.1 OC[C@H]1CCCN1 CS-D1509 [1,1,0,0,0,0|1,0,1]=4 102 B7R1.1 [C@@H]1(CN)CCCO1 CS-W011316 [1,1,0,0,0,0|0,0,1]=3 103 B7R1.1 [C@H]1(CN)CCCO1 CS-W011317 [1,1,0,0,0,0|0,0,1]=3 104 B7R1.4 N[C@H]1CCOC1=O CS-0022019 [1,1,0,0,0,0|0,0,0]=2 105 B7R1.4 O=C1CCC=C1O CS-W019237 [1,1,0,0,0,0|1,0,1]=4 106 B7R1.4 O=C1NCCC1O CS-W005201 [1,1,0,0,0,0|1,0,0]=3 107 B7R1.4 O=C1OCCC1O CS-W013699 [1,1,0,0,0,0|0,0,0]=2 108 B7R1.14 CC1(O)CCNC1 CS-W021967 [1,1,0,0,0,0|2,0,0]=4 109 B7R1.14 O=S1(=O)CCCO1 CS-W011195 [1,1,0,0,0,0|1,0,0]=3 110 B7R1.14 O=S1(=O)OCCO1 CS-W007741 [1,1,0,0,0,0|2,0,0]=4 111 B9R1.1 CCC1CCC(=O)CC1 CS-W011153 [0,1,0,0,0,1|1,0,0]=3 112 B9R1.1 N#CC1CCC(=O)CC1 CS-D0281 [0,1,0,0,0,1|1,0,1]=4 113 B9R1.10 CC1(C)OCC(=O)CO1 CS-W006362 [0,1,0,0,0,1|1,0,0]=3 114 B9R1.69 O=C1CCC(Br)C(=O)N1 CS-0091177 [0,1,0,0,0,1|2,0,0]=4 115 B9R1.7 O=S1OCC(CCCl)O1 CS-M1076 [0,2,0,0,0,0|2,0,0]=4 116 B9R1.21 COC1CCC(OC)O1 CS-W020517 [0,2,0,0,0,0|0,0,2]=4 117 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 CS-D0218 [0,2,0,0,0,0|0,0,1]=3 118 B9R1.38 CC1(C)CC(=O)OC1=O CS-W007998 [0,2,0,0,0,0|1,0,1]=4 119 B9R1.38 CC1(C)OC(=O)NC1=O CS-0013093 [0,2,0,0,0,0|1,0,1]=4 120 B7R1.3 O=C1CCNCC1 CS-W018762 [0,0,1,1,0,0|2,0,0]=4 121 B7R1.3 O=C1CCNCC1 CS-W020094 [0,0,1,1,0,0|2,0,0]=4 122 B7R1.3 O=C1COCCN1 CS-D1427 [0,0,1,1,0,0|2,0,0]=4 123 B7R1.3 O=C1COCCO1 CS-0031423 [0,0,1,1,0,0|1,0,0]=3 124 B7R1.3 O=C1CSCCN1 CS-W019146 [0,0,1,1,0,0|2,0,0]=4 125 B7R1.27 CCC1(C)ON1C CS-M0762 [0,0,1,1,0,0|2,0,0]=4 126 B7R1.18 NC(=O)C1CCC1 CS-D0904 [0,0,1,1,0,0|1,0,0]=3 127 B7R1.18 O=C(O)C1CCC1 CS-W011325 [0,0,1,1,0,0|0,0,0]=2 128 B7R2.13 C1NCC2CC12 CS-W005878 [1,0,0,1,0,0|2,0,0]=4 129 B9R2.39 O=C1NC2C=CC1C2 CS-W019811 [0,0,0,1,0,1|1,0,1]=4 130 B9R2.68 C1CC2CNCC1O2 CS-M0310 [0,0,0,1,0,1|1,0,1]=4 131 B5R0.5 C[C@@H](Cl)C(=O)O CS-0022394 [0,0,1,0,1,0|2,0,0]=4 132 B5R0.5 C[C@@H](N)C(N)=O CS-W022738 [0,0,1,0,1,0|2,0,0]=4 133 B5R1.2 NC1CCC1 CS-0006655 [1,0,0,0,1,0|1,0,1]=4 134 B5R1.2 O=C1CNC1 CS-W019264 [1,0,0,0,1,0|1,0,0]=3 135 B5R1.2 O=C1COC1 CS-M1912 [1,0,0,0,1,0|1,0,0]=3 136 B5R1.2 O=C1CSC1 CS-B0978 [1,0,0,0,1,0|1,0,0]=3 137 B5R1.2 OC1CCC1 CS-W013758 [1,0,0,0,1,0|0,0,2]=4