0 B4R0.1 CN(N)C=O CS-0084846 [0,0,0,0,0,0|2,0,0]=2 1 B4R0.1 [C@H](C)(N)CO CS-W011362 [0,0,0,0,0,0|1,0,2]=3 2 B3R0.1 NCCO CS-0088236 [1,0,0,0,0,0|1,0,2]=4 3 B3R0.2 CN(C)N CS-M2143 [1,0,0,0,0,0|2,0,0]=3 4 B3R0.2 FC(Br)Br CS-0037693 [1,0,0,0,0,0|3,0,0]=4 5 B5R0.1 CC(=O)\C=N\O CS-0039829 [0,1,0,0,0,0|1,0,2]=4 6 B5R0.1 CC(F)CCN CS-0106774 [0,1,0,0,0,0|2,0,1]=4 7 B5R0.1 CC(O)CCN CS-0113030 [0,1,0,0,0,0|2,0,1]=4 8 B5R0.1 CC(O)CCN CS-0113103 [0,1,0,0,0,0|2,0,1]=4 9 B5R0.1 CC(O)CNN CS-0035530 [0,1,0,0,0,0|2,0,1]=4 10 B5R0.1 CC(O)CNN CS-0036622 [0,1,0,0,0,0|2,0,1]=4 11 B5R0.1 C[C@@H](O)CCN CS-0113026 [0,1,0,0,0,0|2,0,1]=4 12 B5R0.1 C[C@@H](O)CCN CS-0113150 [0,1,0,0,0,0|2,0,1]=4 13 B5R0.1 C[C@H](N)CC#N CS-0099938 [0,1,0,0,0,0|2,0,1]=4 14 B5R0.1 C[C@H](O)CCN CS-0113024 [0,1,0,0,0,0|2,0,1]=4 15 B5R0.1 C[C@H](O)CCN CS-0113046 [0,1,0,0,0,0|2,0,1]=4 16 B5R0.3 C=CC(N)CO CS-0091316 [0,1,0,0,0,0|2,0,0]=3 17 B5R0.3 C=C[C@@H](N)CO CS-0089925 [0,1,0,0,0,0|2,0,0]=3 18 B5R0.3 C=C[C@@H](N)CO CS-0091315 [0,1,0,0,0,0|2,0,0]=3 19 B5R0.3 C=C[C@H](N)CO CS-0089895 [0,1,0,0,0,0|2,0,0]=3 20 B5R0.3 CC[C@@H](O)CN CS-0096325 [0,1,0,0,0,0|2,0,1]=4 21 B5R0.3 CC[C@H](O)CN CS-0046763 [0,1,0,0,0,0|2,0,1]=4 22 B5R0.3 CO[C@@H](C)CO CS-0096324 [0,1,0,0,0,0|0,0,2]=3 23 B5R0.3 C[C@@H](CO)CBr CS-0101486 [0,1,0,0,0,0|0,0,2]=3 24 B5R0.3 NC(CO)CF CS-0091321 [0,1,0,0,0,0|1,0,2]=4 25 B5R0.3 NC(CO)CS CS-0089528 [0,1,0,0,0,0|1,0,2]=4 26 B5R0.3 NCC(N)CO CS-0091318 [0,1,0,0,0,0|1,0,2]=4 27 B5R0.3 NC[C@@H](N)CO CS-0091319 [0,1,0,0,0,0|1,0,2]=4 28 B5R0.3 NC[C@H](F)CO CS-0053431 [0,1,0,0,0,0|1,0,2]=4 29 B5R0.3 N[C@H](CO)CS CS-0089529 [0,1,0,0,0,0|1,0,2]=4 30 B5R0.4 CC(C)(F)CN CS-0060975 [0,1,0,0,0,0|1,0,1]=3 31 B5R0.5 CC(N)C(N)=O CS-0036447 [0,1,0,0,0,0|1,0,0]=2 32 B5R0.5 CC(O)C(=N)N CS-0037354 [0,1,0,0,0,0|2,0,0]=3 33 B5R0.5 CN(C)C(=N)N CS-0036167 [0,1,0,0,0,0|2,0,0]=3 34 B5R0.5 CN(C)C(=N)N CS-0092661 [0,1,0,0,0,0|2,0,0]=3 35 B5R0.5 O=C(O)C(=O)O CS-0089651 [0,1,0,0,0,0|2,0,1]=4 36 B5R1.2 BrC1CNC1 CS-0051440 [0,0,0,1,0,0|2,0,1]=4 37 B5R1.2 CC1CCN1 CS-0051841 [0,0,0,1,0,0|2,0,0]=3 38 B5R1.2 CC1CNC1 CS-W019342 [0,0,0,1,0,0|1,0,1]=3 39 B5R1.2 C[C@@H]1CCN1 CS-0100346 [0,0,0,1,0,0|2,0,0]=3 40 B5R1.2 ClC1CNC1 CS-0051403 [0,0,0,1,0,0|2,0,1]=4 41 B5R1.2 FC1CNC1 CS-0102321 [0,0,0,1,0,0|2,0,1]=4 42 B5R1.2 NC1CSC1 CS-0045517 [0,0,0,1,0,0|1,1,1]=4 43 B5R1.2 OC1CSC1 CS-0045447 [0,0,0,1,0,0|1,1,1]=4 44 B5R1.2 SC1CNC1 CS-0049912 [0,0,0,1,0,0|2,0,1]=4 45 B5R1.2 SC1COC1 CS-0048763 [0,0,0,1,0,0|1,0,2]=4 46 B5R1.3 OCC1CO1 CS-0016001 [0,0,0,1,0,0|1,0,2]=4 47 B5R1.4 N[C@@H]1C[C@@H]1F CS-0101187 [0,0,0,1,0,0|2,0,1]=4 48 B4R0.2 C#CCCI CS-0088596 [1,1,0,0,0,0|1,0,1]=4 49 B4R0.2 CCCON CS-0106185 [1,1,0,0,0,0|0,0,2]=4 50 B4R0.2 CNCCF CS-0103514 [1,1,0,0,0,0|1,0,1]=4 51 B4R0.2 CNCCN CS-0108722 [1,1,0,0,0,0|1,0,1]=4 52 B4R0.2 COCCBr CS-0015336 [1,1,0,0,0,0|1,0,1]=4 53 B4R0.2 NCCCF CS-0088913 [1,1,0,0,0,0|1,0,1]=4 54 B4R0.3 CS(=O)([O-])=S CS-W013381 [1,1,0,0,0,0|2,0,0]=4 55 B6R0.1 C=CCC(N)CO CS-0091325 [0,2,0,0,0,0|2,0,0]=4 56 B6R0.3 C=C[C@H](N)C(=O)O CS-D0476 [0,2,0,0,0,0|1,0,1]=4 57 B6R0.3 CN(C)C(=O)CN CS-B0440 [0,2,0,0,0,0|1,0,0]=3 58 B6R0.3 CN(C)C(=O)CO CS-0077250 [0,2,0,0,0,0|1,0,0]=3 59 B6R0.3 CNC(=O)C(=O)O CS-0113142 [0,2,0,0,0,0|1,0,1]=4 60 B6R0.3 C[C@@H](CN)C(=O)O CS-0059829 [0,2,0,0,0,0|0,0,0]=2 61 B6R0.3 C[C@H](CN)C(=O)O CS-0059837 [0,2,0,0,0,0|0,0,0]=2 62 B6R0.3 NC(=O)C(N)CO CS-0091330 [0,2,0,0,0,0|1,0,0]=3 63 B6R0.3 NC(=O)[C@@H](N)CO CS-0091329 [0,2,0,0,0,0|1,0,0]=3 64 B6R0.3 NC(=O)[C@H](N)CO CS-0091331 [0,2,0,0,0,0|1,0,0]=3 65 B6R0.3 NCC(F)C(=O)O CS-W011291 [0,2,0,0,0,0|1,0,0]=3 66 B6R0.3 NC[C@@H](O)C(=O)O CS-0105320 [0,2,0,0,0,0|1,0,0]=3 67 B6R0.3 [C@@H](C)(Cl)C(=O)OC CS-W011191 [0,2,0,0,0,0|1,0,0]=3 68 B6R0.5 CC(C)(O)CCBr CS-W018816 [0,2,0,0,0,0|1,0,1]=4 69 B6R0.5 CC(C)(O)CON CS-0091973 [0,2,0,0,0,0|0,0,2]=4 70 B6R0.5 CC(C)(O)CON CS-0091974 [0,2,0,0,0,0|0,0,2]=4 71 B6R0.5 CNCC(C)(C)O CS-0038213 [0,2,0,0,0,0|1,0,1]=4 72 B6R0.5 CSCC(C)(C)N CS-0107363 [0,2,0,0,0,0|0,1,1]=4 73 B6R0.8 C=CC(C)(N)CO CS-0091324 [0,2,0,0,0,0|1,0,0]=3 74 B6R0.8 CC(N)(C#N)CO CS-0091322 [0,2,0,0,0,0|1,0,1]=4 75 B6R0.8 CCC(C)(N)CO CS-0091232 [0,2,0,0,0,0|0,0,2]=4 76 B6R0.8 COC(C)(C)ON CS-0108444 [0,2,0,0,0,0|2,0,0]=4 77 B6R0.9 CCC(CBr)CBr CS-0059688 [0,2,0,0,0,0|1,0,1]=4 78 B6R0.9 OCC(CO)CO CS-W005889 [0,2,0,0,0,0|0,0,2]=4 79 B6R0.7 CC(=O)C(C)(C)N CS-0036060 [0,2,0,0,0,0|0,0,0]=2 80 B6R0.7 CC(C)(S)C(=O)O CS-0113145 [0,2,0,0,0,0|0,0,0]=2 81 B6R0.7 O=C([O-])C(F)(F)F CS-0035164 [0,2,0,0,0,0|2,0,0]=4 82 B6R1.2 CC1CCCN1 CS-0051829 [0,1,0,1,0,0|1,0,1]=4 83 B6R1.3 ICCC1CC1 CS-0012702 [0,1,0,1,0,0|1,0,1]=4 84 B6R1.3 NNCC1CC1 CS-0053098 [0,1,0,1,0,0|1,0,1]=4 85 B6R1.5 CC1CC(=O)N1 CS-0046688 [0,1,0,1,0,0|0,0,0]=2 86 B6R1.5 C[C@H]1C[C@@H](N)C1 CS-0049698 [0,1,0,1,0,0|1,0,1]=4 87 B6R1.5 O=C1CC(Br)C1 CS-0040508 [0,1,0,1,0,0|1,0,0]=3 88 B6R1.5 O=C1CC(F)N1 CS-0046567 [0,1,0,1,0,0|1,0,0]=3 89 B6R1.8 COC1CC1N CS-0096341 [0,1,0,1,0,0|1,0,1]=4 90 B6R1.8 CO[C@@H]1C[C@H]1N CS-0081493 [0,1,0,1,0,0|1,0,1]=4 91 B6R1.9 CC1(C)CC1O CS-0081490 [0,1,0,1,0,0|0,0,2]=4 92 B6R1.9 CC1CC1(C)O CS-0098175 [0,1,0,1,0,0|0,0,2]=4 93 B6R1.10 CC1(F)CNC1 CS-0051364 [0,1,0,1,0,0|1,0,1]=4 94 B6R1.10 CC1(N)CCC1 CS-0089780 [0,1,0,1,0,0|1,0,1]=4 95 B6R1.10 CC1(N)CNC1 CS-0051248 [0,1,0,1,0,0|1,0,1]=4 96 B6R1.10 CC1(N)COC1 CS-0045507 [0,1,0,1,0,0|0,0,2]=4 97 B6R1.10 CC1(N)CSC1 CS-0045441 [0,1,0,1,0,0|0,1,1]=4 98 B6R1.10 CC1(O)CSC1 CS-0051237 [0,1,0,1,0,0|0,1,1]=4 99 B6R1.11 CC(N)C1CC1 CS-0099739 [0,1,0,1,0,0|1,0,1]=4 100 B6R1.11 CC(N)C1CC1 CS-0112917 [0,1,0,1,0,0|1,0,1]=4 101 B6R1.11 N=C(N)C1CC1 CS-0036166 [0,1,0,1,0,0|1,0,0]=3 102 B6R1.11 O=C(O)[C@@H]1CN1 CS-0111707 [0,1,0,1,0,0|1,0,0]=3 103 B6R1.4 CC1CNC1=O CS-0046512 [0,1,0,1,0,0|0,0,0]=2 104 B6R1.4 CC1OCC1O CS-0051834 [0,1,0,1,0,0|0,0,2]=4 105 B6R1.4 N[C@H]1CNC1=O CS-0053270 [0,1,0,1,0,0|1,0,0]=3 106 B6R1.4 O=C1NCC1O CS-0112791 [0,1,0,1,0,0|1,0,0]=3 107 B6R1.6 BrCC1CCO1 CS-0045505 [0,1,0,1,0,0|1,0,1]=4 108 B6R1.6 C#CC1CNC1 CS-0102283 [0,1,0,1,0,0|1,0,1]=4 109 B6R1.6 CSC1CNC1 CS-0051673 [0,1,0,1,0,0|1,0,1]=4 110 B6R1.6 ClCC1COC1 CS-0051702 [0,1,0,1,0,0|0,0,2]=4 111 B6R1.6 FCC1CNC1 CS-0085106 [0,1,0,1,0,0|1,0,1]=4 112 B6R1.6 FCC1CNC1 CS-0102314 [0,1,0,1,0,0|1,0,1]=4 113 B6R1.6 ICC1CCC1 CS-0053096 [0,1,0,1,0,0|1,0,1]=4 114 B6R1.6 ICC1CCO1 CS-0052227 [0,1,0,1,0,0|1,0,1]=4 115 B6R1.6 ICC1COC1 CS-0045504 [0,1,0,1,0,0|0,0,2]=4 116 B6R1.6 N#C[C@@H]1CCN1 CS-0049776 [0,1,0,1,0,0|1,0,1]=4 117 B6R1.6 NCC1CCN1 CS-0049914 [0,1,0,1,0,0|1,0,1]=4 118 B6R1.6 NCC1CCO1 CS-0048767 [0,1,0,1,0,0|1,0,1]=4 119 B6R1.6 NCC1CNC1 CS-0089832 [0,1,0,1,0,0|1,0,1]=4 120 B6R1.6 NCC1COC1 CS-W008698 [0,1,0,1,0,0|0,0,2]=4 121 B6R1.6 NCC1CSC1 CS-0045533 [0,1,0,1,0,0|0,1,1]=4 122 B6R1.6 NC[C@@H]1CCO1 CS-0100100 [0,1,0,1,0,0|1,0,1]=4 123 B6R1.6 NC[C@H]1CCO1 CS-0102901 [0,1,0,1,0,0|1,0,1]=4 124 B6R1.6 O=CC1COC1 CS-0048764 [0,1,0,1,0,0|0,0,0]=2 125 B6R1.6 OCC1CCN1 CS-0049913 [0,1,0,1,0,0|0,0,2]=4 126 B6R1.6 OCC1CSC1 CS-0045518 [0,1,0,1,0,0|0,0,2]=4 127 B6R1.7 CC1(CO)CO1 CS-0089842 [0,1,0,1,0,0|0,0,2]=4 128 B6R1.7 C[C@@]1(CO)CO1 CS-0093325 [0,1,0,1,0,0|0,0,2]=4