0 B6R0.4 C=CCOC(N)=O CS-0199028 [0,0,0,0,0,0|1,0,2]=3 1 B6R0.4 CC(C)CCCN CS-0252871 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.4 CC\C=C\[N+](=O)[O-] CS-0908789 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.4 CNCCC(C)O CS-0459922 [0,0,0,0,0,0|2,0,2]=4 4 B6R0.4 CSCCC(C)O CS-0242060 [0,0,0,0,0,0|2,0,2]=4 5 B6R0.4 O=C(O)CCCF CS-0491783 [0,0,0,0,0,0|3,0,0]=3 6 B6R0.4 O=C(O)\C=C\CCl CS-0368704 [0,0,0,0,0,0|3,0,1]=4 7 B5R0.1 CC(F)CCN CS-0104778 [1,0,0,0,0,0|2,0,1]=4 8 B5R0.1 CCC[C@@H](C)O CS-0198768 [1,0,0,0,0,0|0,0,2]=3 9 B5R0.1 CSCC(C)O CS-0265494 [1,0,0,0,0,0|1,0,2]=4 10 B5R0.1 C[S+](C)CCCl CS-0660802 [1,0,0,0,0,0|3,0,0]=4 11 B5R0.2 C=CCCCO CS-W011355 [1,0,0,0,0,0|2,0,1]=4 12 B7R0.2 COC(=O)CC(C)=O CS-0017265 [0,1,0,0,0,0|2,0,1]=4 13 B7R0.2 NC[C@@H](O)CC(=O)O CS-W023137 [0,1,0,0,0,0|3,0,0]=4 14 B7R0.3 C#CCNC(=O)CI CS-0235968 [0,1,0,0,0,0|1,0,2]=4 15 B7R0.3 C=CC(=O)NCCO CS-0146430 [0,1,0,0,0,0|2,0,1]=4 16 B7R0.3 C=CC(=O)OCCN CS-0646604 [0,1,0,0,0,0|1,0,1]=3 17 B7R0.3 CCCN[C@H](C)CO CS-0626374 [0,1,0,0,0,0|1,0,2]=4 18 B7R0.3 COC(=O)CCCO CS-0042326 [0,1,0,0,0,0|2,0,0]=3 19 B7R0.3 O=C(CBr)CCCBr CS-1172752 [0,1,0,0,0,0|2,0,0]=3 20 B7R0.4 CC(=O)CCCCO CS-0514254 [0,1,0,0,0,0|1,0,0]=2 21 B7R0.4 CCCCCC(N)=O CS-0128758 [0,1,0,0,0,0|2,0,0]=3 22 B7R0.4 O=[N+]([O-])CCCCO CS-0198124 [0,1,0,0,0,0|3,0,0]=4 23 B7R0.5 N[C@H](CCS)C(=O)O CS-M1780 [0,1,0,0,0,0|3,0,0]=4 24 B7R0.6 CC(=O)NCC(C)O CS-0223956 [0,1,0,0,0,0|1,0,0]=2 25 B7R0.6 CC(C)CC[N+](=O)[O-] CS-0252338 [0,1,0,0,0,0|3,0,0]=4 26 B7R0.6 CC(C)CNC(N)=S CS-0463955 [0,1,0,0,0,0|2,1,0]=4 27 B7R0.6 C[C@H](N)CCC(=O)O CS-0753666 [0,1,0,0,0,0|2,0,0]=3 28 B7R0.8 CC(C)(C)OCCI CS-0308654 [0,1,0,0,0,0|2,0,1]=4 29 B7R0.8 CCCC[Si](C)(C)C CS-0612460 [0,1,0,0,0,0|2,1,0]=4 30 B7R0.8 CCCNS(N)(=O)=O CS-M1494 [0,1,0,0,0,0|3,0,0]=4 31 B7R1.2 C[C@@H]1CC(=O)CN1 CS-0656263 [0,0,0,1,0,0|2,0,0]=3 32 B7R1.2 C[C@H]1CC[C@H](C)N1 CS-0111295 [0,0,0,1,0,0|2,0,1]=4 33 B7R1.2 O=C1C=C(O)CO1 CS-W013716 [0,0,0,1,0,0|1,0,2]=4 34 B7R1.3 C=C1CCNCC1 CS-0642791 [0,0,0,1,0,0|3,0,0]=4 35 B7R1.3 CC1=NCCCC1 CS-1176015 [0,0,0,1,0,0|2,0,0]=3 36 B7R1.3 O=C1C=CCCO1 CS-0037765 [0,0,0,1,0,0|0,0,2]=3 37 B7R1.3 O=C1C=CNCC1 CS-0227023 [0,0,0,1,0,0|2,0,1]=4 38 B7R1.7 OCCOC1CC1 CS-0432950 [0,0,0,1,0,0|2,0,1]=4 39 B7R1.10 CCC1CC(=O)C1 CS-0056231 [0,0,0,1,0,0|1,0,0]=2 40 B7R1.12 C[C@H]1C[C@H]1C(=O)O CS-0368383 [0,0,0,1,0,0|2,0,0]=3 41 B7R1.12 [C@@H]1(C(=O)O)C[C@@H]1C CS-0049741 [0,0,0,1,0,0|2,0,0]=3 42 B7R1.18 CC(=O)N1CCC1 CS-0240228 [0,0,0,1,0,0|1,0,0]=2 43 B7R1.18 C[C@@H](N)C1CCC1 CS-0055818 [0,0,0,1,0,0|2,0,1]=4 44 B7R1.18 NC(=S)C1CCC1 CS-0308165 [0,0,0,1,0,0|2,1,0]=4 45 B4R0.1 NC(=O)CCl CS-W011345 [2,0,0,0,0,0|2,0,0]=4 46 B4R0.1 O=C(O)CO CS-W016683 [2,0,0,0,0,0|2,0,0]=4 47 B6R0.1 CCC(=O)CC#N CS-0084645 [1,1,0,0,0,0|1,0,1]=4 48 B6R0.1 CCC(=O)CSC CS-0434652 [1,1,0,0,0,0|1,0,0]=3 49 B6R0.1 COC(=O)CSC CS-W013574 [1,1,0,0,0,0|1,0,0]=3 50 B6R0.2 CC(=O)\C=C(\C)N CS-0095595 [1,1,0,0,0,0|0,0,2]=4 51 B6R0.2 CC(C)C[N+](=O)[O-] CS-0252339 [1,1,0,0,0,0|2,0,0]=4 52 B6R0.2 CC(C)OC(=S)[S-] CS-0109042 [1,1,0,0,0,0|1,1,0]=4 53 B6R0.2 CC(N)CN(C)C CS-B1299 [1,1,0,0,0,0|2,0,0]=4 54 B6R0.2 O=C(O)CC(F)F CS-0054587 [1,1,0,0,0,0|2,0,0]=4 55 B6R0.3 CCC(Br)C(=O)O CS-W016049 [1,1,0,0,0,0|1,0,0]=3 56 B6R0.3 N[C@H](CS)C(=O)O CS-0046802 [1,1,0,0,0,0|2,0,0]=4 57 B6R0.5 CS(=N)(=O)CCO CS-0434884 [1,1,0,0,0,0|2,0,0]=4 58 B6R0.6 CCCCCCO CS-0076046 [1,1,0,0,0,0|1,0,1]=4 59 B6R0.6 NCCOCCN CS-W006284 [1,1,0,0,0,0|1,0,1]=4 60 B6R0.6 NCCOCCS CS-0115806 [1,1,0,0,0,0|1,0,1]=4 61 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O CS-0029653 [0,2,0,0,0,0|2,0,0]=4 62 B8R0.5 CCOC(C)SC(C)=O CS-0160359 [0,2,0,0,0,0|0,1,0]=3 63 B8R0.5 COCC(C)NC(N)=O CS-0221703 [0,2,0,0,0,0|2,0,0]=4 64 B8R0.23 CC(C)C[C@H](Br)C(=O)O CS-0134712 [0,2,0,0,0,0|2,0,0]=4 65 B8R0.34 CCC(F)(F)CC(=O)O CS-0633857 [0,2,0,0,0,0|2,0,0]=4 66 B8R0.1 CCC#CC(=O)OCC CS-0049392 [0,2,0,0,0,0|1,0,1]=4 67 B8R0.1 CCOC(=O)CCCO CS-0539430 [0,2,0,0,0,0|2,0,0]=4 68 B8R0.1 CCOC(=O)CCSC CS-W010980 [0,2,0,0,0,0|2,0,0]=4 69 B8R0.3 COC(=O)[C@@H](O)CCN CS-0611326 [0,2,0,0,0,0|2,0,0]=4 70 B8R0.6 CCCCCC(=O)O[Na] CS-0152338 [0,2,0,0,0,0|2,0,0]=4 71 B8R0.8 CC(C)C(=O)OCCO CS-0608394 [0,2,0,0,0,0|1,0,0]=3 72 B8R0.9 NCC(=O)NCC(F)F CS-0618168 [0,2,0,0,0,0|2,0,0]=4 73 B8R0.9 NC[C@@H](N)CCC(=O)O CS-0539323 [0,2,0,0,0,0|2,0,0]=4 74 B8R0.7 CCCC\C=C\C(=O)O CS-0161412 [0,2,0,0,0,0|2,0,0]=4 75 B8R0.7 COCCOCC(=O)O CS-0527874 [0,2,0,0,0,0|1,0,0]=3 76 B8R0.7 NCCCNCC(=O)O CS-0119868 [0,2,0,0,0,0|2,0,0]=4 77 B8R0.7 NCCNCCC(=O)[O-] CS-0162521 [0,2,0,0,0,0|2,0,0]=4 78 B8R0.7 NCCOCCC(=O)O CS-0114519 [0,2,0,0,0,0|2,0,0]=4 79 B8R0.29 CC(C)(C)CCC(=O)O CS-0440906 [0,2,0,0,0,0|2,0,0]=4 80 B8R0.29 CC(C)(F)CCC(=O)O CS-0867883 [0,2,0,0,0,0|2,0,0]=4 81 B8R0.29 CS(=O)(=O)OCC(F)F CS-0131409 [0,2,0,0,0,0|2,0,0]=4 82 B6R1.2 NN1CCCC1 CS-W001610 [1,0,0,1,0,0|2,0,0]=4 83 B6R1.2 O=C1CCCS1 CS-0120136 [1,0,0,1,0,0|0,1,0]=3 84 B6R1.5 C[C@H]1C[C@H](N)C1 CS-0433455 [1,0,0,1,0,0|1,0,1]=4 85 B6R1.10 N=S1(=O)CCC1 CS-0134180 [1,0,0,1,0,0|2,0,0]=4 86 B6R1.11 C[C@H](O)C1CC1 CS-0181004 [1,0,0,1,0,0|0,0,2]=4 87 B6R1.4 CC1CCC1=O CS-0611562 [1,0,0,1,0,0|1,0,0]=3 88 B6R1.4 N[C@@H]1CNC1=O CS-0185261 [1,0,0,1,0,0|2,0,0]=4 89 B6R1.4 N[C@H]1CNC1=O CS-0053270 [1,0,0,1,0,0|2,0,0]=4 90 B6R1.6 OC[C@@H]1CCO1 CS-0099311 [1,0,0,1,0,0|1,0,1]=4 91 B8R1.1 C=C[C@@H]1COC(=O)C1 CS-B0325 [0,1,0,1,0,0|0,0,1]=3 92 B8R1.1 CCC1CCC(=O)O1 CS-W016608 [0,1,0,1,0,0|0,0,0]=2 93 B8R1.1 N#CC1CNC(=O)C1 CS-0050413 [0,1,0,1,0,0|1,0,1]=4 94 B8R1.1 N#C[C@H]1CCC(=O)C1 CS-0476471 [0,1,0,1,0,0|1,0,1]=4 95 B8R1.1 O=C1CC[C@@H](CO)O1 CS-W002306 [0,1,0,1,0,0|1,0,0]=3 96 B8R1.1 O=C1CC[C@H](CBr)N1 CS-W020693 [0,1,0,1,0,0|2,0,0]=4 97 B8R1.1 O=C1OCC(CCl)O1 CS-0231732 [0,1,0,1,0,0|1,0,0]=3 98 B8R1.4 CC1CC(O)CCO1 CS-0051835 [0,1,0,1,0,0|1,0,1]=4 99 B8R1.4 CC1CCNC(=O)C1 CS-0052341 [0,1,0,1,0,0|1,0,0]=3 100 B8R1.4 C[C@@H]1C[C@H](O)CCO1 CS-0472514 [0,1,0,1,0,0|1,0,1]=4 101 B8R1.4 O=C1CCNC(=O)O1 CS-0736575 [0,1,0,1,0,0|1,0,1]=4 102 B8R1.18 CC1CC(=O)C(C)O1 CS-0784607 [0,1,0,1,0,0|2,0,0]=4 103 B8R1.18 CC1OC(=O)OC1C CS-0511127 [0,1,0,1,0,0|1,0,0]=3 104 B8R1.31 O=C(O)[C@@H]1CC[C@H]1O CS-0160090 [0,1,0,1,0,0|2,0,0]=4 105 B8R1.34 O=C(O)CN1CCC1 CS-0254192 [0,1,0,1,0,0|2,0,0]=4 106 B8R1.42 NC1(CC(=O)O)CC1 CS-0308592 [0,1,0,1,0,0|2,0,0]=4 107 B8R1.51 CC1(C)CC(=O)NO1 CS-0067871 [0,1,0,1,0,0|2,0,0]=4 108 B8R1.51 C[C@H]1COS(=O)(=O)N1 CS-0646539 [0,1,0,1,0,0|2,0,0]=4 109 B8R1.67 C[C@H]1[C@@H](C)[C@@H]1C(=O)O CS-0614190 [0,1,0,1,0,0|2,0,0]=4 110 B8R1.3 C[C@H]1CO[C@H](C)CN1 CS-0183890 [0,1,0,1,0,0|1,0,1]=4 111 B8R1.5 CC1CCCCC1=O CS-W011265 [0,1,0,1,0,0|1,0,0]=3 112 B8R1.5 O=C1NCCCC1Br CS-0072629 [0,1,0,1,0,0|1,0,0]=3 113 B8R1.22 O=C1CCCOCC1 CS-0037287 [0,1,0,1,0,0|1,0,0]=3 114 B8R1.7 CC(=O)C1CC=CC1 CS-0640323 [0,1,0,1,0,0|1,0,1]=4 115 B8R1.7 CC(=O)C1CCOC1 CS-W004273 [0,1,0,1,0,0|1,0,0]=3 116 B8R1.7 CC(=O)[C@@H]1CCCO1 CS-0444349 [0,1,0,1,0,0|0,0,0]=2 117 B8R1.72 CC1(C)CNCCO1 CS-0052185 [0,1,0,1,0,0|1,0,1]=4 118 B8R1.72 CP1(=O)CCNCC1 CS-0132047 [0,1,0,1,0,0|2,0,0]=4 119 B8R1.54 O=C(O)[C@@H](O)C1CC1 CS-0501765 [0,1,0,1,0,0|2,0,0]=4 120 B8R1.54 O=C(O)[C@H](O)C1CC1 CS-0747626 [0,1,0,1,0,0|2,0,0]=4 121 B8R1.77 CC1(C)C[C@@H]1C(=O)O CS-W019469 [0,1,0,1,0,0|2,0,0]=4