0 B5R0.1 CCC[C@H](C)O P4807 [0,0,0,0,0,0|1,0,2]=3 1 B5R0.1 COC[C@@H](C)O M5850 [0,0,0,0,0,0|2,0,1]=3 2 B5R0.1 COC[C@H](C)O M5856 [0,0,0,0,0,0|2,0,1]=3 3 B5R0.1 C\C(I)=C\CI D16723 [0,0,0,0,0,0|2,0,2]=4 4 B4R0.1 CC[C@@H](C)O B4806 [1,0,0,0,0,0|1,0,1]=3 5 B4R0.1 CC[C@H](C)O B4805 [1,0,0,0,0,0|1,0,1]=3 6 B4R0.1 C[C@@H](Cl)CO C4812 [1,0,0,0,0,0|2,0,1]=4 7 B4R0.1 C[C@@H](N)CN D1041 [1,0,0,0,0,0|2,0,1]=4 8 B4R0.1 C[C@@H](N)CN D7317 [1,0,0,0,0,0|2,0,1]=4 9 B4R0.1 C[C@@H](N)CO A1425 [1,0,0,0,0,0|2,0,1]=4 10 B4R0.1 C[C@@H](O)CCl C4810 [1,0,0,0,0,0|2,0,1]=4 11 B4R0.1 C[C@@H](O)CCl C4810 [1,0,0,0,0,0|2,0,1]=4 12 B4R0.1 C[C@@H](O)CN A6198 [1,0,0,0,0,0|2,0,1]=4 13 B4R0.1 C[C@@H](O)CN A6198 [1,0,0,0,0,0|2,0,1]=4 14 B4R0.1 C[C@@H](O)CO P2644 [1,0,0,0,0,0|2,0,1]=4 15 B4R0.1 C[C@@H](O)CO P2644 [1,0,0,0,0,0|2,0,1]=4 16 B4R0.1 C[C@H](Cl)CO C4811 [1,0,0,0,0,0|2,0,1]=4 17 B4R0.1 C[C@H](N)CO A5008 [1,0,0,0,0,0|2,0,1]=4 18 B4R0.1 C[C@H](N)CO A5008 [1,0,0,0,0,0|2,0,1]=4 19 B4R0.1 C[C@H](O)CCl C4809 [1,0,0,0,0,0|2,0,1]=4 20 B4R0.1 C[C@H](O)CCl C4809 [1,0,0,0,0,0|2,0,1]=4 21 B4R0.1 C[C@H](O)CN A5854 [1,0,0,0,0,0|2,0,1]=4 22 B4R0.1 C[C@H](O)CO P6701 [1,0,0,0,0,0|2,0,1]=4 23 B6R0.1 CCCC(N)CO A18883 [0,1,0,0,0,0|1,0,2]=4 24 B6R0.1 COCC(N)CO A15709 [0,1,0,0,0,0|2,0,1]=4 25 B6R0.1 COCC(O)CN A13295 [0,1,0,0,0,0|2,0,1]=4 26 B6R0.1 COC[C@H](O)CN A15357 [0,1,0,0,0,0|2,0,1]=4 27 B6R0.2 C(C(=O)O)N(C)C D18801 [0,1,0,0,0,0|2,0,1]=4 28 B6R0.2 CC(C)=CC(=O)O D18784 [0,1,0,0,0,0|1,0,1]=3 29 B6R0.2 CC(C)CC(=N)N M13844 [0,1,0,0,0,0|1,0,1]=3 30 B6R0.2 C\C(N)=C/C(N)=S A18256 [0,1,0,0,0,0|2,0,1]=4 31 B6R0.3 CC(C)[C@@H](N)CO A5893 [0,1,0,0,0,0|1,0,2]=4 32 B6R0.3 CC(C)[C@H](N)CO V2118 [0,1,0,0,0,0|1,0,2]=4 33 B6R0.3 CC(C)[C@H](N)CO V2118 [0,1,0,0,0,0|1,0,2]=4 34 B6R0.3 CC(C)\C(N)=N\O H12994 [0,1,0,0,0,0|2,0,0]=3 35 B6R0.3 CC(O)\C(N)=N/O D13759 [0,1,0,0,0,0|3,0,0]=4 36 B6R0.3 CN(C)\C(N)=N/O A12817 [0,1,0,0,0,0|3,0,0]=4 37 B6R0.3 COC(=O)[C@H](C)Cl M7191 [0,1,0,0,0,0|2,0,0]=3 38 B6R0.4 CCC#CC(C)O H5925 [0,1,0,0,0,0|1,0,2]=4 39 B6R0.4 CC\C=C\C(=N)N P16911 [0,1,0,0,0,0|2,0,1]=4 40 B6R0.4 CN(C)CCCN D2364 [0,1,0,0,0,0|1,0,2]=4 41 B6R1.2 CC1CCNC1 M17094 [0,0,0,1,0,0|1,0,1]=3 42 B6R1.2 C[C@@H]1CCCN1 M7218 [0,0,0,1,0,0|1,0,1]=3 43 B6R1.2 C[C@H]1CCCN1 M3036 [0,0,0,1,0,0|1,0,1]=3 44 B6R1.2 F[C@H]1CCNC1 F12344 [0,0,0,1,0,0|2,0,1]=4 45 B6R1.2 N[C@@H]1CCNC1 A13883 [0,0,0,1,0,0|2,0,1]=4 46 B6R1.2 N[C@@H]1CCNC1 P6035 [0,0,0,1,0,0|2,0,1]=4 47 B6R1.2 N[C@H]1CCNC1 A6036 [0,0,0,1,0,0|2,0,1]=4 48 B6R1.2 N[C@H]1CCOC1 A19174 [0,0,0,1,0,0|2,0,1]=4 49 B6R1.2 O=C1C=CCC1 C18886 [0,0,0,1,0,0|1,0,1]=3 50 B6R1.2 O[C@@H]1CCNC1 P4795 [0,0,0,1,0,0|2,0,1]=4 51 B6R1.2 O[C@@H]1CCNC1 P4796 [0,0,0,1,0,0|2,0,1]=4 52 B6R1.2 O[C@@H]1CCOC1 H7200 [0,0,0,1,0,0|2,0,1]=4 53 B6R1.2 O[C@H]1CCNC1 H6043 [0,0,0,1,0,0|2,0,1]=4 54 B6R1.2 O[C@H]1CCNC1 H6043 [0,0,0,1,0,0|2,0,1]=4 55 B6R1.2 O[C@H]1CCNC1 P6678 [0,0,0,1,0,0|2,0,1]=4 56 B6R1.2 O[C@H]1CCOC1 H2612 [0,0,0,1,0,0|2,0,1]=4 57 B6R1.3 NCCC1CC1 C14004 [0,0,0,1,0,0|1,0,2]=4 58 B6R1.3 NOCC1CC1 C2245 [0,0,0,1,0,0|2,0,1]=4 59 B6R1.10 CC1(C)COC1 D12729 [0,0,0,1,0,0|1,0,1]=3 60 B5R0.3 C=C[C@H](N)CO A18275 [1,1,0,0,0,0|1,0,0]=3 61 B5R0.3 CC(CN)CO A15437 [1,1,0,0,0,0|1,0,1]=4 62 B5R0.5 CC(=O)C(C)O A1243 [1,1,0,0,0,0|1,0,0]=3 63 B5R0.5 CC(Br)C(=O)O B18872 [1,1,0,0,0,0|2,0,0]=4 64 B5R0.5 CC(C)C(=N)N M12995 [1,1,0,0,0,0|1,0,0]=3 65 B5R0.5 CC(C)C(N)=O I11048 [1,1,0,0,0,0|1,0,0]=3 66 B5R0.5 CC(Cl)C(=O)Cl C18873 [1,1,0,0,0,0|2,0,0]=4 67 B5R0.5 CC(O)C(=N)N H13779 [1,1,0,0,0,0|2,0,0]=4 68 B5R0.5 CN(C)C(=N)N D13765 [1,1,0,0,0,0|2,0,0]=4 69 B5R0.5 C[C@@H](Cl)C(=O)O C6128 [1,1,0,0,0,0|2,0,0]=4 70 B5R0.5 C[C@@H](N)C(=O)O A6086 [1,1,0,0,0,0|2,0,0]=4 71 B5R0.5 C[C@@H](O)C(=N)N H16733 [1,1,0,0,0,0|2,0,0]=4 72 B5R0.5 C[C@H](Cl)C(=O)O C4804 [1,1,0,0,0,0|2,0,0]=4 73 B5R0.5 C[C@H](N)C(N)=O A6327 [1,1,0,0,0,0|2,0,0]=4 74 B5R0.2 CNCCCN M14932 [1,1,0,0,0,0|1,0,1]=4 75 B7R0.2 CC(C)C[C@H](N)CO L2031 [0,2,0,0,0,0|0,0,2]=4 76 B7R0.2 CC[C@H](C)CC(=O)O M13871 [0,2,0,0,0,0|1,0,1]=4 77 B7R0.2 COC(=O)\C=C(\C)N A18843 [0,2,0,0,0,0|1,0,1]=4 78 B7R0.3 COC(=O)\C=C\CBr M1565 [0,2,0,0,0,0|1,0,1]=4 79 B7R0.10 CC(CCl)\C(N)=N/O C13725 [0,2,0,0,0,0|2,0,0]=4 80 B7R0.10 COC(=O)[C@@H](N)CS C7887 [0,2,0,0,0,0|2,0,0]=4 81 B7R0.9 CC(C)(C)CC(=O)O B0283 [0,2,0,0,0,0|1,0,1]=4 82 B7R0.9 CC(C)(C)NC(N)=S B11521 [0,2,0,0,0,0|2,0,0]=4 83 B7R0.9 CC(C)(C)OC(N)=O B14424 [0,2,0,0,0,0|2,0,0]=4 84 B7R0.9 CC(C)(N)CC(=O)O A17650 [0,2,0,0,0,0|1,0,1]=4 85 B7R0.16 CC(C)[C@@H](Br)C(=O)O B8237 [0,2,0,0,0,0|1,0,1]=4 86 B7R0.16 CC(C)[C@@H](N)C(=O)O V6098 [0,2,0,0,0,0|1,0,1]=4 87 B7R0.16 CC(C)[C@H](Br)C(=O)O B8238 [0,2,0,0,0,0|1,0,1]=4 88 B7R0.16 CC(C)[C@H](O)C(=O)O H12825 [0,2,0,0,0,0|1,0,1]=4 89 B7R0.16 CN(C)C(F)=[N+](C)C T12752 [0,2,0,0,0,0|2,0,0]=4 90 B7R0.14 CC(C)(C)C(N)=NN P12997 [0,2,0,0,0,0|2,0,0]=4 91 B7R0.14 CC(C)(C)\C(N)=N\O H12996 [0,2,0,0,0,0|2,0,0]=4 92 B7R0.8 CC(C)(C)SCCN B7817 [0,2,0,0,0,0|1,0,1]=4 93 B5R1.2 ClC1CCC1 C18781 [1,0,0,1,0,0|1,0,1]=4 94 B5R1.2 NC1CCC1 A18148 [1,0,0,1,0,0|1,0,1]=4 95 B5R1.3 BrCC1CC1 C1292 [1,0,0,1,0,0|1,0,1]=4 96 B5R1.3 N#CC1CC1 C0232 [1,0,0,1,0,0|1,0,1]=4 97 B5R1.3 NCC1CC1 C2241 [1,0,0,1,0,0|1,0,1]=4 98 B5R1.3 NCC1CC1 C2241 [1,0,0,1,0,0|1,0,1]=4 99 B5R1.4 CC1OC1C E1498 [1,0,0,1,0,0|1,0,1]=4 100 B5R1.1 C1=CCNC1 P12964 [1,0,0,1,0,0|1,0,0]=3 101 B7R1.1 BrCC1CCCC1 B18461 [0,1,0,1,0,0|0,0,2]=4 102 B7R1.1 CCC1CCCN1 E15991 [0,1,0,1,0,0|1,0,1]=4 103 B7R1.1 NCC1CCNC1 P13897 [0,1,0,1,0,0|1,0,1]=4 104 B7R1.1 NC[C@H]1CCCO1 T11002 [0,1,0,1,0,0|1,0,1]=4 105 B7R1.1 OC[C@@H]1CCCN1 P2200 [0,1,0,1,0,0|1,0,1]=4 106 B7R1.1 OC[C@H]1CCCN1 P6137 [0,1,0,1,0,0|1,0,1]=4 107 B7R1.1 OC[C@H]1CCCN1 P6137 [0,1,0,1,0,0|1,0,1]=4 108 B7R1.2 CC1=CC=C(C)N1 D1487 [0,1,0,1,0,0|1,0,1]=4 109 B7R1.2 CC1=CC=C(C)S1 P14109 [0,1,0,1,0,0|1,0,1]=4 110 B7R1.2 CC1=CNC(C)=N1 D12856 [0,1,0,1,0,0|1,0,1]=4 111 B7R1.3 CC1CCCCN1 M6451 [0,1,0,1,0,0|0,0,2]=4 112 B7R1.3 CC1CCCNC1 P3032 [0,1,0,1,0,0|0,0,2]=4 113 B7R1.3 CC1CCNCC1 M11273 [0,1,0,1,0,0|0,0,2]=4 114 B7R1.3 C[C@@H]1CNCCN1 R6055 [0,1,0,1,0,0|1,0,1]=4 115 B7R1.3 C[C@H]1CCCCN1 M3041 [0,1,0,1,0,0|0,0,2]=4 116 B7R1.3 O=C1C=CCCC1 C17765 [0,1,0,1,0,0|1,0,1]=4 117 B7R1.4 CC1OCCC1=O M5424 [0,1,0,1,0,0|1,0,1]=4 118 B7R1.4 CC1OCCC1S T12619 [0,1,0,1,0,0|1,0,1]=4 119 B7R1.4 CN1CCN=C1S M3268 [0,1,0,1,0,0|2,0,0]=4 120 B7R1.4 O=C1OCCC1Br B11067 [0,1,0,1,0,0|2,0,0]=4 121 B7R1.22 N\C(=N/O)C1CC1 H13012 [0,1,0,1,0,0|2,0,0]=4 122 B7R1.20 O=C(O)CC1CC1 C2235 [0,1,0,1,0,0|1,0,1]=4