0 B5R1.1 C1=CCNC1 P12964 [0,0,0,0,0,0|0,0,2]=2 1 B5R1.1 C1=CNC=N1 I18837 [0,0,0,0,0,0|1,0,3]=4 2 B5R1.1 C1=CNN=N1 T4825 [0,0,0,0,0,0|2,0,2]=4 3 B5R1.1 C1=CNN=N1 T4825 [0,0,0,0,0,0|2,0,2]=4 4 B6R1.2 CC1CCNC1 M17094 [0,1,0,0,0,0|0,0,0]=1 5 B6R1.2 C[C@@H]1CCCN1 M7218 [0,1,0,0,0,0|0,0,0]=1 6 B6R1.2 C[C@H]1CCCN1 M3036 [0,1,0,0,0,0|0,0,0]=1 7 B6R1.2 F[C@H]1CCNC1 F12344 [0,1,0,0,0,0|0,0,0]=1 8 B6R1.2 NC1=NCCS1 A5327 [0,1,0,0,0,0|1,0,2]=4 9 B6R1.2 NC1=NCCS1 E5676 [0,1,0,0,0,0|1,0,2]=4 10 B6R1.2 N[C@@H]1CCNC1 A13883 [0,1,0,0,0,0|0,0,0]=1 11 B6R1.2 N[C@@H]1CCNC1 P6035 [0,1,0,0,0,0|0,0,0]=1 12 B6R1.2 N[C@H]1CCNC1 A6036 [0,1,0,0,0,0|0,0,0]=1 13 B6R1.2 N[C@H]1CCOC1 A19174 [0,1,0,0,0,0|1,0,0]=2 14 B6R1.2 O=C1C=CCC1 C18886 [0,1,0,0,0,0|1,0,2]=4 15 B6R1.2 O=C1CCSC1 T11319 [0,1,0,0,0,0|1,0,1]=3 16 B6R1.2 O=C1CC[NH2+]N1 P12961 [0,1,0,0,0,0|1,0,1]=3 17 B6R1.2 O=C1NCCO1 O11604 [0,1,0,0,0,0|1,0,1]=3 18 B6R1.2 O[C@@H]1CCNC1 P4795 [0,1,0,0,0,0|0,0,0]=1 19 B6R1.2 O[C@@H]1CCNC1 P4796 [0,1,0,0,0,0|0,0,0]=1 20 B6R1.2 O[C@@H]1CCOC1 H7200 [0,1,0,0,0,0|1,0,0]=2 21 B6R1.2 O[C@H]1CCNC1 H6043 [0,1,0,0,0,0|0,0,0]=1 22 B6R1.2 O[C@H]1CCNC1 H6043 [0,1,0,0,0,0|0,0,0]=1 23 B6R1.2 O[C@H]1CCNC1 P6678 [0,1,0,0,0,0|0,0,0]=1 24 B6R1.2 O[C@H]1CCOC1 H2612 [0,1,0,0,0,0|1,0,0]=2 25 B4R0.2 BrCCCBr D18864 [0,0,1,0,0,0|2,0,0]=3 26 B4R0.2 NCCCCl C18780 [0,0,1,0,0,0|1,0,0]=2 27 B4R0.2 NCCCO A18882 [0,0,1,0,0,0|1,0,0]=2 28 B4R0.2 NNCCO H13045 [0,0,1,0,0,0|2,0,0]=3 29 B6R1.1 C1COCCN1 M12430 [0,0,0,0,0,1|0,0,0]=1 30 B6R1.1 C1CSCCN1 T4979 [0,0,0,0,0,1|0,0,0]=1 31 B3R0.1 C#CCN P12530 [1,0,1,0,0,0|0,0,2]=4 32 B3R0.1 C#CCN P12531 [1,0,1,0,0,0|0,0,2]=4 33 B5R0.1 CCCC(=O)O B18853 [0,1,1,0,0,0|1,0,1]=4 34 B5R0.1 CCC[C@H](C)O P4807 [0,1,1,0,0,0|1,0,0]=3 35 B5R0.1 CNCC(=O)O S18803 [0,1,1,0,0,0|1,0,1]=4 36 B5R0.1 COCC(=N)N M13846 [0,1,1,0,0,0|1,0,1]=4 37 B5R0.1 COC[C@@H](C)O M5850 [0,1,1,0,0,0|1,0,0]=3 38 B5R0.1 COC[C@H](C)O M5856 [0,1,1,0,0,0|1,0,0]=3 39 B5R0.1 CSCC(=N)N M13847 [0,1,1,0,0,0|1,0,1]=4 40 B5R0.2 CNCCCN M14932 [0,1,1,0,0,0|0,0,0]=2 41 B5R0.2 N#CCCNN C12725 [0,1,1,0,0,0|1,0,1]=4 42 B5R0.2 NCCCCO A18122 [0,1,1,0,0,0|0,0,0]=2 43 B5R0.2 OCCCCBr B18469 [0,1,1,0,0,0|1,0,0]=3 44 B5R0.3 CC(CN)CO A15437 [0,1,1,0,0,0|1,0,0]=3 45 B5R0.3 COC(=O)CN G18901 [0,1,1,0,0,0|1,0,1]=4 46 B5R0.3 ClCC(Br)CBr D10531 [0,1,1,0,0,0|2,0,0]=4 47 B5R0.3 NC[C@@H](O)CO A4797 [0,1,1,0,0,0|1,0,0]=3 48 B5R0.3 NC[C@H](O)CO P6783 [0,1,1,0,0,0|1,0,0]=3 49 B5R0.3 NC[C@H](O)CO P6783 [0,1,1,0,0,0|1,0,0]=3 50 B5R0.3 OC[C@@H](O)CCl C4763 [0,1,1,0,0,0|2,0,0]=4 51 B5R0.3 OC[C@@H](O)CCl C4763 [0,1,1,0,0,0|2,0,0]=4 52 B5R0.3 OC[C@H](O)CCl C4762 [0,1,1,0,0,0|2,0,0]=4 53 B5R0.3 OC[C@H](O)CCl C4762 [0,1,1,0,0,0|2,0,0]=4 54 B5R1.2 ClC1CCC1 C18781 [0,1,0,0,1,0|0,0,0]=2 55 B5R1.2 FC1CNC1 F12347 [0,1,0,0,1,0|0,0,0]=2 56 B5R1.2 FC1CNC1 F12347 [0,1,0,0,1,0|0,0,0]=2 57 B5R1.2 NC1CCC1 A18148 [0,1,0,0,1,0|0,0,0]=2 58 B5R1.2 NC1CNC1 A13816 [0,1,0,0,1,0|0,0,0]=2 59 B5R1.2 O=C1CCC1 C17719 [0,1,0,0,1,0|0,0,1]=3 60 B5R1.2 O=C1CCN1 A18280 [0,1,0,0,1,0|0,0,1]=3 61 B5R1.2 O=C1COC1 O19064 [0,1,0,0,1,0|1,0,1]=4 62 B5R1.2 OC1CNC1 H11075 [0,1,0,0,1,0|0,0,0]=2 63 B7R1.3 BrC1CCCCN1 B7610 [0,1,0,0,0,1|0,0,0]=2 64 B7R1.3 BrC1CCCNC1 B7611 [0,1,0,0,0,1|0,0,0]=2 65 B7R1.3 CC1CCCCN1 M6451 [0,1,0,0,0,1|0,0,0]=2 66 B7R1.3 CC1CCCNC1 P3032 [0,1,0,0,0,1|0,0,0]=2 67 B7R1.3 CC1CCNCC1 M11273 [0,1,0,0,0,1|0,0,0]=2 68 B7R1.3 CN1CCCCC1 M3042 [0,1,0,0,0,1|0,0,0]=2 69 B7R1.3 CN1CCNCC1 M12431 [0,1,0,0,0,1|0,0,0]=2 70 B7R1.3 CN1CCOCC1 C2066 [0,1,0,0,0,1|0,0,0]=2 71 B7R1.3 C[C@@H]1CNCCN1 R6055 [0,1,0,0,0,1|0,0,0]=2 72 B7R1.3 C[C@H]1CCCCN1 M3041 [0,1,0,0,0,1|0,0,0]=2 73 B7R1.3 ClC1CCNCC1 C7399 [0,1,0,0,0,1|0,0,0]=2 74 B7R1.3 FC1CCNCC1 F12346 [0,1,0,0,0,1|0,0,0]=2 75 B7R1.3 NC1CCCNC1 A11018 [0,1,0,0,0,1|0,0,0]=2 76 B7R1.3 NC1CCCNC1 P19410 [0,1,0,0,0,1|0,0,0]=2 77 B7R1.3 NC1CCCNC1 P7273 [0,1,0,0,0,1|0,0,0]=2 78 B7R1.3 NC1CCNCC1 A2317 [0,1,0,0,0,1|0,0,0]=2 79 B7R1.3 NC1CCNCC1 A8187 [0,1,0,0,0,1|0,0,0]=2 80 B7R1.3 NC1CCOCC1 A16695 [0,1,0,0,0,1|1,0,0]=3 81 B7R1.3 NC1CCOCC1 T11516 [0,1,0,0,0,1|1,0,0]=3 82 B7R1.3 NN1CCCCC1 A3686 [0,1,0,0,0,1|0,0,0]=2 83 B7R1.3 N[C@@H]1CCCNC1 A3658 [0,1,0,0,0,1|0,0,0]=2 84 B7R1.3 N[C@H]1CCCNC1 A11799 [0,1,0,0,0,1|0,0,0]=2 85 B7R1.3 O=C1C=CCCC1 C17765 [0,1,0,0,0,1|1,0,1]=4 86 B7R1.3 O=C1CCNCC1 P3649 [0,1,0,0,0,1|0,0,0]=2 87 B7R1.3 O=C1CCNCC1 P7276 [0,1,0,0,0,1|0,0,0]=2 88 B7R1.3 O=C1CCOCC1 T11055 [0,1,0,0,0,1|1,0,0]=3 89 B7R1.3 O=C1CNCCN1 P12440 [0,1,0,0,0,1|0,0,1]=3 90 B7R1.3 OC1CCCNC1 H6045 [0,1,0,0,0,1|0,0,0]=2 91 B7R1.3 OC1CCCNC1 P11038 [0,1,0,0,0,1|0,0,0]=2 92 B7R1.3 OC1CCNCC1 H0402 [0,1,0,0,0,1|0,0,0]=2 93 B7R1.3 OC1CCNCC1 H0402 [0,1,0,0,0,1|0,0,0]=2 94 B7R1.3 OC1CCNCC1 H5175 [0,1,0,0,0,1|0,0,0]=2 95 B7R1.3 O[C@@H]1CCCNC1 R6046 [0,1,0,0,0,1|0,0,0]=2 96 B7R1.3 O[C@@H]1CCCNC1 R6046 [0,1,0,0,0,1|0,0,0]=2 97 B7R1.3 O[C@H]1CCCNC1 P3031 [0,1,0,0,0,1|0,0,0]=2 98 B7R1.1 BrCC1CCCC1 B18461 [0,2,0,0,0,0|1,0,0]=3 99 B7R1.1 CCC1CCCN1 E15991 [0,2,0,0,0,0|0,0,0]=2 100 B7R1.1 NCC1CCNC1 P13897 [0,2,0,0,0,0|0,0,0]=2 101 B7R1.1 NC[C@H]1CCCO1 T11002 [0,2,0,0,0,0|1,0,0]=3 102 B7R1.1 OC[C@@H]1CCCN1 P2200 [0,2,0,0,0,0|0,0,0]=2 103 B7R1.1 OC[C@H]1CCCN1 P6137 [0,2,0,0,0,0|0,0,0]=2 104 B7R1.1 OC[C@H]1CCCN1 P6137 [0,2,0,0,0,0|0,0,0]=2 105 B7R1.2 CN1CCC(O)C1 P6737 [0,2,0,0,0,0|0,0,0]=2 106 B7R1.2 CN1CC[C@H](O)C1 M19385 [0,2,0,0,0,0|0,0,0]=2 107 B7R1.2 O=C1CCC(=O)C1 C13983 [0,2,0,0,0,0|1,0,1]=4 108 B7R1.2 O=C1C[C@@H](O)CO1 H7194 [0,2,0,0,0,0|1,0,1]=4 109 B7R1.2 O=C1C[C@H](O)CN1 H2610 [0,2,0,0,0,0|0,0,1]=3 110 B7R1.2 O=C1C[C@H](O)CN1 H2610 [0,2,0,0,0,0|0,0,1]=3 111 B7R1.2 O=C1C[C@H](O)CO1 H2611 [0,2,0,0,0,0|1,0,1]=4 112 B7R1.2 OC1CCC(O)C1 C18885 [0,2,0,0,0,0|1,0,0]=3 113 B7R1.4 CC1OCCC1=O M5424 [0,2,0,0,0,0|1,0,1]=4 114 B7R1.4 CC1OCCC1S T12619 [0,2,0,0,0,0|1,0,0]=3 115 B7R1.4 CN1CCN=C1S M3268 [0,2,0,0,0,0|1,0,1]=4 116 B7R1.4 N[C@@H]1CCC[C@H]1O A4082 [0,2,0,0,0,0|1,0,0]=3 117 B7R1.4 N[C@@H]1CCC[C@H]1O A4082 [0,2,0,0,0,0|1,0,0]=3 118 B7R1.4 N[C@@H]1CONC1=O C5656 [0,2,0,0,0,0|1,0,1]=4 119 B7R1.4 N[C@H]1CCC[C@@H]1O A13715 [0,2,0,0,0,0|1,0,0]=3 120 B7R1.4 N[C@H]1COC[C@@H]1O A15394 [0,2,0,0,0,0|1,0,0]=3 121 B7R1.4 O=C1OCCC1Br B11067 [0,2,0,0,0,0|1,0,1]=4 122 B5R1.3 BrCC1CC1 C1292 [0,0,1,1,0,0|1,0,0]=3 123 B5R1.3 ClC[C@@H]1CO1 E4755 [0,0,1,1,0,0|2,0,0]=4 124 B5R1.3 ClC[C@@H]1CO1 E4755 [0,0,1,1,0,0|2,0,0]=4 125 B5R1.3 ClC[C@H]1CO1 E4754 [0,0,1,1,0,0|2,0,0]=4 126 B5R1.3 N#CC1CC1 C0232 [0,0,1,1,0,0|0,0,2]=4 127 B5R1.3 NCC1CC1 C2241 [0,0,1,1,0,0|0,0,0]=2 128 B5R1.3 NCC1CC1 C2241 [0,0,1,1,0,0|0,0,0]=2 129 B5R1.3 OC[C@@H]1CO1 G4757 [0,0,1,1,0,0|2,0,0]=4 130 B5R1.3 OC[C@H]1CO1 G4756 [0,0,1,1,0,0|2,0,0]=4 131 B5R1.3 OC[C@H]1CO1 G4756 [0,0,1,1,0,0|2,0,0]=4 132 B5R1.4 CC1OC1C E1498 [0,0,1,1,0,0|1,0,0]=3