0 B6R0.4 C=CCOC(N)=O CS-0199028 [0,0,0,0,0,0|2,0,2]=4 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|1,0,3]=4 3 B6R0.4 CNCCC(C)O CS-0459922 [0,0,0,0,0,0|2,0,1]=3 4 B6R0.4 CSCCC(C)O CS-0242060 [0,0,0,0,0,0|2,0,1]=3 5 B6R0.4 O=C(O)CCCF CS-0491783 [0,0,0,0,0,0|1,0,0]=1 6 B6R0.4 O=C(O)\C=C\CCl CS-0368704 [0,0,0,0,0,0|1,0,2]=3 7 B5R0.1 CCC[C@@H](C)O CS-0198768 [1,0,0,0,0,0|1,0,1]=3 8 B5R0.1 CSCC(C)O CS-0265494 [1,0,0,0,0,0|2,0,1]=4 9 B5R0.2 C#CCCNC CS-0891238 [1,0,0,0,0,0|2,0,1]=4 10 B5R0.2 C=CCCCO CS-W011355 [1,0,0,0,0,0|2,0,0]=3 11 B5R0.2 N#CCCCN CS-0343605 [1,0,0,0,0,0|2,0,1]=4 12 B5R0.2 N#CCCCO CS-W001264 [1,0,0,0,0,0|1,0,2]=4 13 B7R0.2 COC(=O)CC(C)=O CS-0017265 [0,1,0,0,0,0|2,0,1]=4 14 B7R0.2 NC[C@@H](O)CC(=O)O CS-W023137 [0,1,0,0,0,0|1,0,0]=2 15 B7R0.3 C=CC(=O)NCCO CS-0146430 [0,1,0,0,0,0|3,0,0]=4 16 B7R0.3 C=CC(=O)OCCN CS-0646604 [0,1,0,0,0,0|3,0,0]=4 17 B7R0.3 CCCN[C@H](C)CO CS-0626374 [0,1,0,0,0,0|2,0,1]=4 18 B7R0.3 COC(=O)CCCO CS-0042326 [0,1,0,0,0,0|1,0,0]=2 19 B7R0.3 O=C(CBr)CCCBr CS-1172752 [0,1,0,0,0,0|2,0,0]=3 20 B7R0.4 C=CCCC[C@H](C)O CS-1049849 [0,1,0,0,0,0|1,0,2]=4 21 B7R0.4 CC(=O)CCCCO CS-0514254 [0,1,0,0,0,0|1,0,0]=2 22 B7R0.4 CCCCCC(N)=O CS-0128758 [0,1,0,0,0,0|1,0,0]=2 23 B7R0.4 O=[N+]([O-])CCCCO CS-0198124 [0,1,0,0,0,0|1,0,1]=3 24 B7R0.5 C#CCC(O)C(=O)O CS-0237172 [0,1,0,0,0,0|0,0,2]=3 25 B7R0.5 C#CC[C@@H](N)C(=O)O CS-0158576 [0,1,0,0,0,0|0,0,2]=3 26 B7R0.5 N[C@H](CCS)C(=O)O CS-M1780 [0,1,0,0,0,0|1,0,0]=2 27 B7R0.6 CC(=O)NCC(C)O CS-0223956 [0,1,0,0,0,0|2,0,0]=3 28 B7R0.6 CC(C)CC[N+](=O)[O-] CS-0252338 [0,1,0,0,0,0|1,0,1]=3 29 B7R0.6 CC(C)CNC(N)=S CS-0463955 [0,1,0,0,0,0|2,1,0]=4 30 B7R0.6 C[C@H](N)CCC(=O)O CS-0753666 [0,1,0,0,0,0|0,0,0]=1 31 B7R0.8 CCCC[Si](C)(C)C CS-0612460 [0,1,0,0,0,0|2,1,0]=4 32 B7R0.8 CCCNS(N)(=O)=O CS-M1494 [0,1,0,0,0,0|2,0,1]=4 33 B7R0.8 COCCS(N)(=O)=O CS-0180980 [0,1,0,0,0,0|2,0,1]=4 34 B7R1.2 C[C@@H]1CC(=O)CN1 CS-0656263 [0,0,0,1,0,0|2,0,0]=3 35 B7R1.2 C[C@@H]1C[C@@H](O)CN1 CS-0038437 [0,0,0,1,0,0|2,0,1]=4 36 B7R1.2 C[C@H]1CC[C@H](C)N1 CS-0111295 [0,0,0,1,0,0|2,0,1]=4 37 B7R1.2 C[C@H]1C[C@H](O)CN1 CS-0053220 [0,0,0,1,0,0|2,0,1]=4 38 B7R1.2 O=C1C=C(I)CC1 CS-0611577 [0,0,0,1,0,0|2,0,1]=4 39 B7R1.3 C=C1CCNCC1 CS-0642791 [0,0,0,1,0,0|3,0,0]=4 40 B7R1.3 CC1=NCCCC1 CS-1176015 [0,0,0,1,0,0|2,0,0]=3 41 B7R1.3 O=C1C=CCCO1 CS-0037765 [0,0,0,1,0,0|0,0,2]=3 42 B7R1.3 O=C1C=CNCC1 CS-0227023 [0,0,0,1,0,0|2,0,1]=4 43 B7R1.10 CCC1CC(=O)C1 CS-0056231 [0,0,0,1,0,0|1,0,0]=2 44 B7R1.12 C[C@H]1C[C@H]1B(O)O CS-0254193 [0,0,0,1,0,0|1,0,1]=3 45 B7R1.12 C[C@H]1C[C@H]1C(=O)O CS-0368383 [0,0,0,1,0,0|0,0,0]=1 46 B7R1.12 [C@@H]1(C(=O)O)C[C@@H]1C CS-0049741 [0,0,0,1,0,0|0,0,0]=1 47 B7R1.18 CC(=O)N1CCC1 CS-0240228 [0,0,0,1,0,0|2,0,0]=3 48 B7R1.18 C[C@@H](N)C1CCC1 CS-0055818 [0,0,0,1,0,0|2,0,1]=4 49 B7R1.18 C[C@@H](O)C1COC1 CS-0309420 [0,0,0,1,0,0|2,0,1]=4 50 B7R1.18 NC(=S)C1CCC1 CS-0308165 [0,0,0,1,0,0|1,1,0]=3 51 B4R0.1 NC(=O)CCl CS-W011345 [2,0,0,0,0,0|2,0,0]=4 52 B4R0.1 O=C(O)CO CS-W016683 [2,0,0,0,0,0|1,0,0]=3 53 B4R0.2 NNCCO CS-W007663 [2,0,0,0,0,0|2,0,0]=4 54 B6R0.1 CCC(=O)CSC CS-0434652 [1,1,0,0,0,0|2,0,0]=4 55 B6R0.1 COC(=O)CSC CS-W013574 [1,1,0,0,0,0|1,0,0]=3 56 B6R0.2 CC(C)C[N+](=O)[O-] CS-0252339 [1,1,0,0,0,0|1,0,1]=4 57 B6R0.2 O=C(O)CC(F)F CS-0054587 [1,1,0,0,0,0|1,0,0]=3 58 B6R0.3 CCC(Br)C(=O)O CS-W016049 [1,1,0,0,0,0|0,0,0]=2 59 B6R0.3 N[C@H](CS)C(=O)O CS-0046802 [1,1,0,0,0,0|1,0,0]=3 60 B6R0.5 O=S(=O)(O)CCO CS-W018254 [1,1,0,0,0,0|2,0,0]=4 61 B6R0.6 C#CCCCCBr CS-0248001 [1,1,0,0,0,0|1,0,1]=4 62 B6R0.6 C#CCCNCC CS-0891938 [1,1,0,0,0,0|1,0,1]=4 63 B6R0.6 CCCCCCO CS-0076046 [1,1,0,0,0,0|0,0,1]=3 64 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O CS-0029653 [0,2,0,0,0,0|0,0,0]=2 65 B8R0.5 CCOC(C)SC(C)=O CS-0160359 [0,2,0,0,0,0|2,0,0]=4 66 B8R0.5 COCC(C)NC(N)=O CS-0221703 [0,2,0,0,0,0|2,0,0]=4 67 B8R0.23 CC(C)C[C@H](Br)C(=O)O CS-0134712 [0,2,0,0,0,0|0,0,0]=2 68 B8R0.23 C[C@@H](CC(=O)O)C(=O)O CS-0035659 [0,2,0,0,0,0|1,0,1]=4 69 B8R0.23 NC(=O)C[C@H](N)C(=O)O CS-W018159 [0,2,0,0,0,0|1,0,1]=4 70 B8R0.34 CC(C)(CN)CC(=O)O CS-0016326 [0,2,0,0,0,0|1,0,0]=3 71 B8R0.34 CC(C)(CN)CC(=O)O CS-M3329 [0,2,0,0,0,0|1,0,0]=3 72 B8R0.34 CCC(F)(F)CC(=O)O CS-0633857 [0,2,0,0,0,0|0,0,0]=2 73 B8R0.1 CCC#CC(=O)OCC CS-0049392 [0,2,0,0,0,0|0,0,2]=4 74 B8R0.1 CCCC[C@H](N)CCO CS-0063111 [0,2,0,0,0,0|1,0,1]=4 75 B8R0.1 CCOC(=O)CCCO CS-0539430 [0,2,0,0,0,0|1,0,0]=3 76 B8R0.1 CCOC(=O)CCSC CS-W010980 [0,2,0,0,0,0|1,0,0]=3 77 B8R0.3 C=CCC(N)C(=O)OC CS-0158009 [0,2,0,0,0,0|0,0,2]=4 78 B8R0.3 COC(=O)[C@@H](O)CCN CS-0611326 [0,2,0,0,0,0|1,0,0]=3 79 B8R0.6 CCCCCC(=O)O[Na] CS-0152338 [0,2,0,0,0,0|0,0,0]=2 80 B8R0.6 OCCCCC(O)CO CS-W013379 [0,2,0,0,0,0|0,0,2]=4 81 B8R0.8 [N-]=[N+]=NC[C@H](N)C(=O)O CS-0447698 [0,2,0,0,0,0|2,0,0]=4 82 B8R0.9 NC[C@@H](N)CCC(=O)O CS-0539323 [0,2,0,0,0,0|0,0,0]=2 83 B8R0.9 O=C(O)CNC(=O)CBr CS-0147668 [0,2,0,0,0,0|1,0,1]=4 84 B8R0.7 CCCC\C=C\C(=O)O CS-0161412 [0,2,0,0,0,0|0,0,0]=2 85 B8R0.7 COCCOCC(=O)O CS-0527874 [0,2,0,0,0,0|0,0,0]=2 86 B8R0.7 NCCCNCC(=O)O CS-0119868 [0,2,0,0,0,0|0,0,0]=2 87 B8R0.7 NCCNCCC(=O)[O-] CS-0162521 [0,2,0,0,0,0|0,0,1]=3 88 B8R0.7 NCCOCCC(=O)O CS-0114519 [0,2,0,0,0,0|0,0,0]=2 89 B8R0.28 CN(C)C\C=C/C(=O)O CS-0164231 [0,2,0,0,0,0|0,0,2]=4 90 B8R0.12 C#CCC(C)(C)C(=O)O CS-0158547 [0,2,0,0,0,0|0,0,2]=4 91 B8R0.12 C=CC[C@@](C)(N)C(=O)O CS-0089885 [0,2,0,0,0,0|0,0,2]=4 92 B8R0.15 COC(CCN)C(=O)O CS-0344933 [0,2,0,0,0,0|1,0,0]=3 93 B8R0.29 CC(C)(C)CCC(=O)O CS-0440906 [0,2,0,0,0,0|0,0,0]=2 94 B8R0.29 CC(C)(F)CCC(=O)O CS-0867883 [0,2,0,0,0,0|0,0,0]=2 95 B8R0.29 O=C(O)CCP(=O)(O)O CS-W018060 [0,2,0,0,0,0|2,0,0]=4 96 B8R0.29 O=C(O)CCS(=O)(=O)O CS-0526977 [0,2,0,0,0,0|2,0,0]=4 97 B6R1.2 O=C1CCCS1 CS-0120136 [1,0,0,1,0,0|0,1,0]=3 98 B6R1.10 N=S1(=O)CCC1 CS-0134180 [1,0,0,1,0,0|2,0,0]=4 99 B6R1.11 C[C@H](O)C1CC1 CS-0181004 [1,0,0,1,0,0|1,0,1]=4 100 B6R1.4 CC1CCC1=O CS-0611562 [1,0,0,1,0,0|0,0,0]=2 101 B6R1.4 N[C@@H]1CC[C@@H]1O CS-0184482 [1,0,0,1,0,0|1,0,1]=4 102 B6R1.4 N[C@@H]1CNC1=O CS-0185261 [1,0,0,1,0,0|2,0,0]=4 103 B6R1.4 N[C@H]1CNC1=O CS-0053270 [1,0,0,1,0,0|2,0,0]=4 104 B6R1.6 OC[C@@H]1CCO1 CS-0099311 [1,0,0,1,0,0|1,0,1]=4 105 B6R1.6 OC[C@H]1CCN1 CS-0053482 [1,0,0,1,0,0|1,0,1]=4 106 B8R1.1 C=CC1CCC(=O)N1 CS-0315611 [0,1,0,1,0,0|1,0,1]=4 107 B8R1.1 C=C[C@@H]1COC(=O)C1 CS-B0325 [0,1,0,1,0,0|0,0,2]=4 108 B8R1.1 CCC1CCC(=O)O1 CS-W016608 [0,1,0,1,0,0|0,0,0]=2 109 B8R1.1 N#C[C@H]1CCC(=O)C1 CS-0476471 [0,1,0,1,0,0|1,0,1]=4 110 B8R1.1 O=C1CC[C@@H](CO)O1 CS-W002306 [0,1,0,1,0,0|0,0,0]=2 111 B8R1.1 O=C1CC[C@H](CBr)N1 CS-W020693 [0,1,0,1,0,0|1,0,0]=3 112 B8R1.1 O=C1OCC(CCl)O1 CS-0231732 [0,1,0,1,0,0|1,0,0]=3 113 B8R1.4 CC1CC(O)CCO1 CS-0051835 [0,1,0,1,0,0|1,0,1]=4 114 B8R1.4 CC1CCNC(=O)C1 CS-0052341 [0,1,0,1,0,0|1,0,0]=3 115 B8R1.4 C[C@@H]1C[C@H](O)CCO1 CS-0472514 [0,1,0,1,0,0|1,0,1]=4 116 B8R1.4 N[C@H]1CCC[C@@H](O)C1 CS-0042346 [0,1,0,1,0,0|1,0,1]=4 117 B8R1.4 O=C1CCNC(=O)O1 CS-0736575 [0,1,0,1,0,0|1,0,1]=4 118 B8R1.18 CC1CC(=O)C(C)O1 CS-0784607 [0,1,0,1,0,0|2,0,0]=4 119 B8R1.18 CC1OC(=O)OC1C CS-0511127 [0,1,0,1,0,0|1,0,0]=3 120 B8R1.31 O=C(O)[C@@H]1CC[C@H]1O CS-0160090 [0,1,0,1,0,0|0,0,0]=2 121 B8R1.34 O=C(O)CN1CCC1 CS-0254192 [0,1,0,1,0,0|0,0,0]=2 122 B8R1.42 NC1(CC(=O)O)CC1 CS-0308592 [0,1,0,1,0,0|0,0,0]=2 123 B8R1.67 C[C@H]1[C@@H](C)[C@@H]1C(=O)O CS-0614190 [0,1,0,1,0,0|0,0,0]=2 124 B8R1.5 CC1CCCCC1=O CS-W011265 [0,1,0,1,0,0|1,0,0]=3 125 B8R1.5 O=C1NCCCC1Br CS-0072629 [0,1,0,1,0,0|1,0,0]=3 126 B8R1.22 O=C1CCCOCC1 CS-0037287 [0,1,0,1,0,0|1,0,0]=3 127 B8R1.7 CC(=O)C1CC=CC1 CS-0640323 [0,1,0,1,0,0|1,0,1]=4 128 B8R1.7 CC(=O)C1CCOC1 CS-W004273 [0,1,0,1,0,0|1,0,0]=3 129 B8R1.7 CC(=O)[C@@H]1CCCO1 CS-0444349 [0,1,0,1,0,0|1,0,0]=3 130 B8R1.7 CC(O)C1CCNC1 CS-0033515 [0,1,0,1,0,0|1,0,1]=4 131 B8R1.7 N=C(N)C1CCCN1 CS-WAA0204 [0,1,0,1,0,0|2,0,0]=4 132 B8R1.72 CP1(=O)CCNCC1 CS-0132047 [0,1,0,1,0,0|2,0,0]=4 133 B8R1.54 O=C(O)[C@@H](O)C1CC1 CS-0501765 [0,1,0,1,0,0|0,0,0]=2 134 B8R1.54 O=C(O)[C@H](O)C1CC1 CS-0747626 [0,1,0,1,0,0|0,0,0]=2 135 B8R1.77 CC1(C)C[C@@H]1C(=O)O CS-W019469 [0,1,0,1,0,0|0,0,0]=2