0 B5R0.2 CNCCCN M14932 [0,0,0,0,0,0|3,0,0]=3 1 B5R0.2 NCCCCO A18122 [0,0,0,0,0,0|4,0,0]=4 2 B5R0.2 OCCCCBr B18469 [0,0,0,0,0,0|4,0,0]=4 3 B4R0.2 BrCCCBr D18864 [1,0,0,0,0,0|3,0,0]=4 4 B4R0.2 NCCCCl C18780 [1,0,0,0,0,0|3,0,0]=4 5 B4R0.2 NCCCO A18882 [1,0,0,0,0,0|2,1,0]=4 6 B4R0.2 NNCCO H13045 [1,0,0,0,0,0|3,0,0]=4 7 B6R0.1 C=CC(=O)CCC H17062 [0,1,0,0,0,0|2,0,1]=4 8 B6R0.1 CCCC(N)CO A18883 [0,1,0,0,0,0|3,0,0]=4 9 B6R0.1 CCC\C(N)=N/O H14022 [0,1,0,0,0,0|3,0,0]=4 10 B6R0.1 CNCC(=O)OC M5408 [0,1,0,0,0,0|2,1,0]=4 11 B6R0.1 COCC(N)CO A15709 [0,1,0,0,0,0|2,1,0]=4 12 B6R0.1 COCC(O)CN A13295 [0,1,0,0,0,0|2,1,0]=4 13 B6R0.1 COC[C@H](O)CN A15357 [0,1,0,0,0,0|2,1,0]=4 14 B6R0.4 CCC#CC(C)O H5925 [0,1,0,0,0,0|2,0,1]=4 15 B6R0.4 CCCCB(O)O B0514 [0,1,0,0,0,0|3,0,0]=4 16 B6R0.4 CN(C)CCCN D2364 [0,1,0,0,0,0|3,0,0]=4 17 B6R0.6 CCCCCCBr S19038 [0,1,0,0,0,0|2,0,0]=3 18 B6R0.6 ICCOCCI I12663 [0,1,0,0,0,0|2,1,0]=4 19 B6R1.1 C1COCCN1 M12430 [0,0,0,1,0,0|2,1,0]=4 20 B6R1.1 C1CSCCN1 T4979 [0,0,0,1,0,0|2,0,0]=3 21 B6R1.2 CC1CCNC1 M17094 [0,0,0,1,0,0|2,0,0]=3 22 B6R1.2 C[C@@H]1CCCN1 M7218 [0,0,0,1,0,0|2,0,0]=3 23 B6R1.2 C[C@H]1CCCN1 M3036 [0,0,0,1,0,0|2,0,0]=3 24 B6R1.2 F[C@H]1CCNC1 F12344 [0,0,0,1,0,0|3,0,0]=4 25 B6R1.2 NC1=NCCS1 A5327 [0,0,0,1,0,0|3,0,0]=4 26 B6R1.2 NC1=NCCS1 E5676 [0,0,0,1,0,0|3,0,0]=4 27 B6R1.2 N[C@@H]1CCNC1 A13883 [0,0,0,1,0,0|3,0,0]=4 28 B6R1.2 N[C@@H]1CCNC1 P6035 [0,0,0,1,0,0|3,0,0]=4 29 B6R1.2 N[C@H]1CCNC1 A6036 [0,0,0,1,0,0|3,0,0]=4 30 B6R1.2 N[C@H]1CCOC1 A19174 [0,0,0,1,0,0|2,1,0]=4 31 B6R1.2 O=C1CCSC1 T11319 [0,0,0,1,0,0|2,0,1]=4 32 B6R1.2 O[C@@H]1CCNC1 P4795 [0,0,0,1,0,0|3,0,0]=4 33 B6R1.2 O[C@@H]1CCNC1 P4796 [0,0,0,1,0,0|3,0,0]=4 34 B6R1.2 O[C@@H]1CCOC1 H7200 [0,0,0,1,0,0|2,1,0]=4 35 B6R1.2 O[C@H]1CCNC1 H6043 [0,0,0,1,0,0|3,0,0]=4 36 B6R1.2 O[C@H]1CCNC1 H6043 [0,0,0,1,0,0|3,0,0]=4 37 B6R1.2 O[C@H]1CCNC1 P6678 [0,0,0,1,0,0|3,0,0]=4 38 B6R1.2 O[C@H]1CCOC1 H2612 [0,0,0,1,0,0|2,1,0]=4 39 B6R1.3 NCCC1CC1 C14004 [0,0,0,1,0,0|3,0,0]=4 40 B6R1.3 NOCC1CC1 C2245 [0,0,0,1,0,0|2,1,0]=4 41 B6R1.4 CN1CCC1N A18235 [0,0,0,1,0,0|3,0,0]=4 42 B6R1.6 COC1CNC1 M19138 [0,0,0,1,0,0|2,1,0]=4 43 B6R1.6 OCC1CNC1 A19210 [0,0,0,1,0,0|3,0,0]=4 44 B6R1.6 OC[C@@H]1CCN1 A19140 [0,0,0,1,0,0|3,0,0]=4 45 B5R0.1 CCCC(=O)O B18853 [1,1,0,0,0,0|1,1,0]=4 46 B5R0.1 CCC[C@H](C)O P4807 [1,1,0,0,0,0|1,0,0]=3 47 B5R0.1 COC[C@@H](C)O M5850 [1,1,0,0,0,0|0,1,0]=3 48 B5R0.1 COC[C@H](C)O M5856 [1,1,0,0,0,0|0,1,0]=3 49 B5R0.1 CSCC(=N)N M13847 [1,1,0,0,0,0|1,0,1]=4 50 B7R0.3 CCCCC(O)CN A13447 [0,2,0,0,0,0|2,0,0]=4 51 B7R0.3 CCOCC(O)CN A15120 [0,2,0,0,0,0|1,1,0]=4 52 B7R0.3 CSCC[C@@H](N)CO M6155 [0,2,0,0,0,0|1,0,0]=3 53 B7R0.3 CSCC[C@H](N)CO M6160 [0,2,0,0,0,0|1,0,0]=3 54 B7R0.7 COCC(Cl)COC C16846 [0,2,0,0,0,0|1,1,0]=4 55 B7R0.7 COCC(N)COC A13333 [0,2,0,0,0,0|1,1,0]=4 56 B7R0.7 COCC(O)COC D12731 [0,2,0,0,0,0|1,1,0]=4 57 B7R0.4 CC(=O)CCCCCl C18888 [0,2,0,0,0,0|2,0,0]=4 58 B7R0.6 C[C@H](O)CC[C@H](C)O H5146 [0,2,0,0,0,0|2,0,0]=4 59 B7R0.8 CC(C)(C)SCCN B7817 [0,2,0,0,0,0|2,0,0]=4 60 B5R1.2 ClC1CCC1 C18781 [1,0,0,1,0,0|2,0,0]=4 61 B5R1.2 FC1CNC1 F12347 [1,0,0,1,0,0|2,0,0]=4 62 B5R1.2 FC1CNC1 F12347 [1,0,0,1,0,0|2,0,0]=4 63 B5R1.2 NC1CCC1 A18148 [1,0,0,1,0,0|2,0,0]=4 64 B5R1.2 NC1CNC1 A13816 [1,0,0,1,0,0|2,0,0]=4 65 B5R1.2 O=C1CCC1 C17719 [1,0,0,1,0,0|1,1,0]=4 66 B5R1.2 OC1CNC1 H11075 [1,0,0,1,0,0|2,0,0]=4 67 B5R1.3 BrCC1CC1 C1292 [1,0,0,1,0,0|2,0,0]=4 68 B5R1.3 ClC[C@@H]1CO1 E4755 [1,0,0,1,0,0|1,1,0]=4 69 B5R1.3 ClC[C@@H]1CO1 E4755 [1,0,0,1,0,0|1,1,0]=4 70 B5R1.3 ClC[C@H]1CO1 E4754 [1,0,0,1,0,0|1,1,0]=4 71 B5R1.3 N#CC1CC1 C0232 [1,0,0,1,0,0|2,0,0]=4 72 B5R1.3 NCC1CC1 C2241 [1,0,0,1,0,0|2,0,0]=4 73 B5R1.3 NCC1CC1 C2241 [1,0,0,1,0,0|2,0,0]=4 74 B5R1.3 OC[C@@H]1CO1 G4757 [1,0,0,1,0,0|1,1,0]=4 75 B5R1.3 OC[C@H]1CO1 G4756 [1,0,0,1,0,0|1,1,0]=4 76 B5R1.3 OC[C@H]1CO1 G4756 [1,0,0,1,0,0|1,1,0]=4 77 B5R1.4 CC1OC1C E1498 [1,0,0,1,0,0|1,1,0]=4 78 B7R1.1 BrCC1CCCC1 B18461 [0,1,0,1,0,0|2,0,0]=4 79 B7R1.1 CCC1CCCN1 E15991 [0,1,0,1,0,0|2,0,0]=4 80 B7R1.1 NCC1CCNC1 P13897 [0,1,0,1,0,0|2,0,0]=4 81 B7R1.1 NC[C@H]1CCCO1 T11002 [0,1,0,1,0,0|1,1,0]=4 82 B7R1.1 OC[C@@H]1CCCN1 P2200 [0,1,0,1,0,0|2,0,0]=4 83 B7R1.1 OC[C@H]1CCCN1 P6137 [0,1,0,1,0,0|2,0,0]=4 84 B7R1.1 OC[C@H]1CCCN1 P6137 [0,1,0,1,0,0|2,0,0]=4 85 B7R1.2 CN1CCC(O)C1 P6737 [0,1,0,1,0,0|2,0,0]=4 86 B7R1.2 CN1CC[C@H](O)C1 M19385 [0,1,0,1,0,0|2,0,0]=4 87 B7R1.3 BrC1CCCCN1 B7610 [0,1,0,1,0,0|2,0,0]=4 88 B7R1.3 BrC1CCCNC1 B7611 [0,1,0,1,0,0|2,0,0]=4 89 B7R1.3 CC1CCCCN1 M6451 [0,1,0,1,0,0|2,0,0]=4 90 B7R1.3 CC1CCCNC1 P3032 [0,1,0,1,0,0|2,0,0]=4 91 B7R1.3 CC1CCNCC1 M11273 [0,1,0,1,0,0|2,0,0]=4 92 B7R1.3 CN1CCCCC1 M3042 [0,1,0,1,0,0|2,0,0]=4 93 B7R1.3 CN1CCNCC1 M12431 [0,1,0,1,0,0|2,0,0]=4 94 B7R1.3 CN1CCOCC1 C2066 [0,1,0,1,0,0|1,1,0]=4 95 B7R1.3 C[C@@H]1CNCCN1 R6055 [0,1,0,1,0,0|2,0,0]=4 96 B7R1.3 C[C@H]1CCCCN1 M3041 [0,1,0,1,0,0|2,0,0]=4 97 B7R1.3 ClC1CCNCC1 C7399 [0,1,0,1,0,0|2,0,0]=4 98 B7R1.3 FC1CCNCC1 F12346 [0,1,0,1,0,0|2,0,0]=4 99 B7R1.3 NC1CCCNC1 A11018 [0,1,0,1,0,0|2,0,0]=4 100 B7R1.3 NC1CCCNC1 P19410 [0,1,0,1,0,0|2,0,0]=4 101 B7R1.3 NC1CCCNC1 P7273 [0,1,0,1,0,0|2,0,0]=4 102 B7R1.3 NC1CCNCC1 A2317 [0,1,0,1,0,0|2,0,0]=4 103 B7R1.3 NC1CCNCC1 A8187 [0,1,0,1,0,0|2,0,0]=4 104 B7R1.3 NC1CCOCC1 A16695 [0,1,0,1,0,0|1,1,0]=4 105 B7R1.3 NC1CCOCC1 T11516 [0,1,0,1,0,0|1,1,0]=4 106 B7R1.3 NN1CCCCC1 A3686 [0,1,0,1,0,0|2,0,0]=4 107 B7R1.3 N[C@@H]1CCCNC1 A3658 [0,1,0,1,0,0|2,0,0]=4 108 B7R1.3 N[C@H]1CCCNC1 A11799 [0,1,0,1,0,0|2,0,0]=4 109 B7R1.3 OC1CCCNC1 H6045 [0,1,0,1,0,0|2,0,0]=4 110 B7R1.3 OC1CCCNC1 P11038 [0,1,0,1,0,0|2,0,0]=4 111 B7R1.3 OC1CCNCC1 H0402 [0,1,0,1,0,0|2,0,0]=4 112 B7R1.3 OC1CCNCC1 H0402 [0,1,0,1,0,0|2,0,0]=4 113 B7R1.3 OC1CCNCC1 H5175 [0,1,0,1,0,0|2,0,0]=4 114 B7R1.3 O[C@@H]1CCCNC1 R6046 [0,1,0,1,0,0|2,0,0]=4 115 B7R1.3 O[C@@H]1CCCNC1 R6046 [0,1,0,1,0,0|2,0,0]=4 116 B7R1.3 O[C@H]1CCCNC1 P3031 [0,1,0,1,0,0|2,0,0]=4 117 B7R1.4 CC1OCCC1S T12619 [0,1,0,1,0,0|1,1,0]=4