0 B6R0.2 CC(=O)C=C(C)C PHBB_NC-02001 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.2 CC(=O)NC(N)=S PHBB_SC-04932 [0,0,0,0,0,0|3,1,0]=4 2 B6R0.2 CC(C)=CC(=O)Cl PHBB_SC-08458 [0,0,0,0,0,0|2,0,1]=3 3 B6R0.2 CC(C)CC(=O)Cl PHBB_SC-08426 [0,0,0,0,0,0|2,0,0]=2 4 B6R0.2 CC(C)CC(=O)O PHBB_NC-02034 [0,0,0,0,0,0|2,0,0]=2 5 B6R0.2 CC(C)OC(=S)[S-] PHBB_SC-00202 [0,0,0,0,0,0|3,1,0]=4 6 B6R0.2 CC(O)CC(=O)O PHBB_NC-02996 [0,0,0,0,0,0|3,0,0]=3 7 B6R0.2 CN(C)CC(=O)O PHBB_SC-04767 [0,0,0,0,0,0|1,0,0]=1 8 B6R0.2 CN(C)CC(N)=S PHBB_SC-01458 [0,0,0,0,0,0|0,1,0]=1 9 B6R0.2 CN(C)CN(C)C PHBB_SC-06208 [0,0,0,0,0,0|3,0,0]=3 10 B6R0.2 NC(=O)NC(N)=O PHBB_SC-00433 [0,0,0,0,0,0|4,0,0]=4 11 B5R0.1 C#CCN(C)C PHBB_SC-08363 [1,0,0,0,0,0|1,0,1]=3 12 B5R0.1 CC(=O)CCO PHBB_SC-08418 [1,0,0,0,0,0|3,0,0]=4 13 B5R0.1 CC(C)CC=O PHBB_NC-03017 [1,0,0,0,0,0|1,0,0]=2 14 B5R0.1 CC(C)CCBr PHBB_SC-08456 [1,0,0,0,0,0|2,0,1]=4 15 B5R0.1 CC(C)CCI PHBB_SC-12249 [1,0,0,0,0,0|2,0,1]=4 16 B5R0.1 CC(C)CCS PHBB_SC-08348 [1,0,0,0,0,0|1,1,1]=4 17 B5R0.1 CCCC(=O)Cl PHBB_SC-04929 [1,0,0,0,0,0|2,0,0]=3 18 B5R0.1 CCC[N+](=O)[O-] PHBB_SC-04987 [1,0,0,0,0,0|3,0,0]=4 19 B5R0.1 CCOC(=O)Cl PHBB_SC-05103 [1,0,0,0,0,0|3,0,0]=4 20 B5R0.1 CN(C)CCCl PHBB_SC-05225 [1,0,0,0,0,0|1,0,1]=3 21 B5R0.1 CN(C)CCN PHBB_SC-10777 [1,0,0,0,0,0|0,0,1]=2 22 B5R0.1 CNCC(=O)O PHBB_NC-02026 [1,0,0,0,0,0|1,0,0]=2 23 B5R0.1 CNCC(N)=O PHBB_NC-02184 [1,0,0,0,0,0|0,0,0]=1 24 B5R0.1 COCC(=O)Cl PHBB_SC-11015 [1,0,0,0,0,0|2,0,0]=3 25 B5R0.1 C\C=C\C(=O)Cl PHBB_SC-04788 [1,0,0,0,0,0|2,0,1]=4 26 B5R0.1 C\C=C\C(=O)O PHBB_NC-02030 [1,0,0,0,0,0|2,0,1]=4 27 B5R0.1 N#CCC(=O)O PHBB_SC-05140 [1,0,0,0,0,0|3,0,0]=4 28 B5R0.1 N#CCC(N)=O PHBB_SC-04829 [1,0,0,0,0,0|2,0,0]=3 29 B5R0.1 N#CCC(N)=S PHBB_SC-11173 [1,0,0,0,0,0|2,1,0]=4 30 B5R0.1 NC(=O)CCCl PHBB_SC-05035 [1,0,0,0,0,0|2,0,0]=3 31 B5R0.1 NCCC(=O)O PHBB_SC-11806 [1,0,0,0,0,0|3,0,0]=4 32 B5R0.1 O=C(Cl)CCBr PHBB_SC-05189 [1,0,0,0,0,0|3,0,0]=4 33 B5R0.1 O=C(Cl)CCCl PHBB_SC-04917 [1,0,0,0,0,0|3,0,0]=4 34 B5R0.1 O=C(O)CCCl PHBB_SC-05013 [1,0,0,0,0,0|3,0,0]=4 35 B7R0.2 CC(C)NC(=O)CN PHBB_SC-02997 [0,1,0,0,0,0|2,0,0]=3 36 B7R0.2 COC(=O)CC(C)=O PHBB_SC-04942 [0,1,0,0,0,0|3,0,0]=4 37 B7R0.2 COC(=O)CC(C)C PHBB_SC-04883 [0,1,0,0,0,0|2,0,0]=3 38 B7R0.9 CC(=O)CC(C)(C)O PHBB_NC-02018 [0,1,0,0,0,0|2,0,0]=3 39 B7R0.16 CC(=O)C(Cl)C(C)=O PHBB_SC-05194 [0,1,0,0,0,0|3,0,0]=4 40 B7R0.16 CC(C)C(Br)C(=O)O PHBB_SC-00103 [0,1,0,0,0,0|2,0,0]=3 41 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O PHBB_SC-06218 [0,1,0,0,0,0|3,0,0]=4 42 B7R1.2 CC1=NNC(=O)C1 PHBB_SC-04982 [0,0,0,1,0,0|2,0,0]=3 43 B7R1.2 CC1CCC(=O)O1 PHBB_SC-05085 [0,0,0,1,0,0|3,0,0]=4 44 B7R1.2 CN1C=CC(N)=N1 PHBB_SC-09994 [0,0,0,1,0,0|2,0,1]=4 45 B7R1.2 C[C@@H]1COC(=O)O1 PHBB_NC-03242 [0,0,0,1,0,0|3,0,0]=4 46 B7R1.2 NC1=NNC(=O)C1 PHBB_SC-06079 [0,0,0,1,0,0|3,0,0]=4 47 B7R1.2 O=C1CCC(=O)C1 PHBB_SC-04522 [0,0,0,1,0,0|3,0,0]=4 48 B7R1.2 O=C1CNC(=O)N1 PHBB_NC-02019 [0,0,0,1,0,0|3,0,0]=4 49 B5R0.5 C=C(C)C(=O)Cl PHBB_SC-00039 [0,0,0,0,1,0|2,0,1]=4 50 B5R0.5 C=C(C)C(=O)O PHBB_NC-01983 [0,0,0,0,1,0|2,0,1]=4 51 B5R0.5 C=C(C)C(N)=O PHBB_SC-04926 [0,0,0,0,1,0|1,0,1]=3 52 B5R0.5 CC(=O)C(=O)O PHBB_SC-05182 [0,0,0,0,1,0|3,0,0]=4 53 B5R0.5 CC(=O)C(C)=O PHBB_SC-05922 [0,0,0,0,1,0|3,0,0]=4 54 B5R0.5 CC(C)C(=N)N PHBB_SC-09688 [0,0,0,0,1,0|2,0,0]=3 55 B5R0.5 CC(C)C(=O)Cl PHBB_SC-11808 [0,0,0,0,1,0|2,0,0]=3 56 B5R0.5 CC(C)C(=O)O PHBB_SC-04925 [0,0,0,0,1,0|2,0,0]=3 57 B5R0.5 CC(C)[N+](=O)[O-] PHBB_SC-05100 [0,0,0,0,1,0|3,0,0]=4 58 B5R0.5 CC(O)C(N)=O PHBB_SC-05061 [0,0,0,0,1,0|2,0,0]=3 59 B5R0.5 CC(S)C(=O)O PHBB_SC-06200 [0,0,0,0,1,0|3,0,0]=4 60 B5R0.5 CN(C)C(=O)Cl PHBB_SC-11014 [0,0,0,0,1,0|1,0,0]=2 61 B5R0.5 CN(C)C(=S)Cl PHBB_SC-08317 [0,0,0,0,1,0|1,1,0]=3 62 B5R0.5 CN(C)C(=S)[S-] PHBB_SC-04670 [0,0,0,0,1,0|1,1,0]=3 63 B5R0.5 C[C@H](N)C(N)=O PHBB_NC-02086 [0,0,0,0,1,0|2,0,0]=3 64 B5R0.5 C[C@H](O)C(=O)O PHBB_NC-03024 [0,0,0,0,1,0|3,0,0]=4 65 B5R0.5 N=C(/N)N(C)C PHBB_SC-08467 [0,0,0,0,1,0|1,0,0]=2 66 B5R0.5 NC(=O)C(Cl)Cl PHBB_SC-05943 [0,0,0,0,1,0|3,0,0]=4 67 B7R0.6 CC(=O)C=CC(C)C PHBB_NC-02934 [0,0,0,0,0,1|2,0,1]=4 68 B7R0.6 CC(=O)CCC(=O)O PHBB_SC-00197 [0,0,0,0,0,1|3,0,0]=4 69 B7R0.6 CC(=O)CCC(C)=O PHBB_SC-08414 [0,0,0,0,0,1|3,0,0]=4 70 B7R0.6 CC(=O)\C=C\N(C)C PHBB_SC-04066 [0,0,0,0,0,1|1,0,1]=3 71 B7R0.6 CC(C)COC(=O)Cl PHBB_SC-04950 [0,0,0,0,0,1|2,0,0]=3 72 B7R0.6 CC(C)OCC(=O)O PHBB_SC-03839 [0,0,0,0,0,1|2,0,0]=3 73 B7R0.6 CN(C)CCN(C)C PHBB_SC-06207 [0,0,0,0,0,1|3,0,0]=4 74 B4R0.1 CC(=O)CCl PHBB_SC-12103 [2,0,0,0,0,0|2,0,0]=4 75 B4R0.1 CC(=O)CO PHBB_SC-04985 [2,0,0,0,0,0|2,0,0]=4 76 B4R0.1 CC(C)C=O PHBB_SC-11309 [2,0,0,0,0,0|1,0,0]=3 77 B4R0.1 CC(C)CBr PHBB_SC-12096 [2,0,0,0,0,0|2,0,0]=4 78 B4R0.1 CC(C)CI PHBB_SC-04973 [2,0,0,0,0,0|2,0,0]=4 79 B4R0.1 CC(N)CN PHBB_SC-04768 [2,0,0,0,0,0|1,0,1]=4 80 B4R0.1 CCC(=O)Cl PHBB_SC-04995 [2,0,0,0,0,0|1,0,0]=3 81 B4R0.1 CCC(C)=O PHBB_SC-05025 [2,0,0,0,0,0|1,0,0]=3 82 B4R0.1 CCC(C)N PHBB_SC-04843 [2,0,0,0,0,0|1,0,1]=4 83 B4R0.1 CNC(=N)N PHBB_SC-04744 [2,0,0,0,0,0|1,0,0]=3 84 B4R0.1 CNC(N)=O PHBB_SC-05181 [2,0,0,0,0,0|0,0,0]=2 85 B4R0.1 COC(=N)N PHBB_SC-05157 [2,0,0,0,0,0|2,0,0]=4 86 B4R0.1 COC(=O)Cl PHBB_SC-05098 [2,0,0,0,0,0|2,0,0]=4 87 B4R0.1 COC(N)=O PHBB_SC-04967 [2,0,0,0,0,0|1,0,0]=3 88 B4R0.1 CSC(=N)N PHBB_SC-05180 [2,0,0,0,0,0|2,0,0]=4 89 B4R0.1 NC(=O)CCl PHBB_SC-00189 [2,0,0,0,0,0|1,0,0]=3 90 B4R0.1 NC(=O)NO PHBB_SC-05227 [2,0,0,0,0,0|1,0,0]=3 91 B4R0.1 NNC(N)=O PHBB_SC-05160 [2,0,0,0,0,0|1,0,0]=3 92 B4R0.1 O=C(Br)CBr PHBB_SC-04910 [2,0,0,0,0,0|2,0,0]=4 93 B4R0.1 O=C(Cl)CCl PHBB_SC-04838 [2,0,0,0,0,0|2,0,0]=4 94 B4R0.1 O=C(O)CCl PHBB_SC-12050 [2,0,0,0,0,0|2,0,0]=4 95 B4R0.1 O=C(O)CI PHBB_SC-04669 [2,0,0,0,0,0|2,0,0]=4 96 B4R0.1 [C@H](C)(O)CN PHBB_NC-02041 [2,0,0,0,0,0|2,0,0]=4 97 B4R0.2 CCCCN PHBB_SC-04859 [2,0,0,0,0,0|1,0,1]=4 98 B4R0.2 CNCCN PHBB_NC-03502 [2,0,0,0,0,0|0,0,1]=3 99 B4R0.2 CNCCO PHBB_SC-04984 [2,0,0,0,0,0|0,0,2]=4 100 B4R0.2 C\C=C\C=O PHBB_SC-04963 [2,0,0,0,0,0|1,0,1]=4 101 B6R0.1 CCOC(=O)NN PHBB_SC-08460 [1,1,0,0,0,0|2,0,0]=4 102 B6R0.1 CNCC(=O)NC PHBB_NC-02175 [1,1,0,0,0,0|0,0,0]=2 103 B6R0.1 N#CCC(=O)NN PHBB_SC-05171 [1,1,0,0,0,0|2,0,0]=4 104 B6R0.3 CCC(Br)C(=O)O PHBB_SC-06206 [1,1,0,0,0,0|2,0,0]=4 105 B6R0.3 NNC(=O)C(N)=O PHBB_SC-08250 [1,1,0,0,0,0|1,0,1]=4 106 B6R0.4 C=CCNC(N)=O PHBB_SC-04687 [1,1,0,0,0,0|1,0,1]=4 107 B6R0.4 CC(=O)CCCCl PHBB_SC-05457 [1,1,0,0,0,0|2,0,0]=4 108 B6R0.4 CCCCC(=O)Cl PHBB_SC-04938 [1,1,0,0,0,0|2,0,0]=4 109 B6R0.4 CCCCC(C)=O PHBB_SC-04978 [1,1,0,0,0,0|2,0,0]=4 110 B6R0.4 CN(C)CCC#N PHBB_SC-04906 [1,1,0,0,0,0|0,0,2]=4 111 B6R0.4 CN(C)CCCCl PHBB_SC-04010 [1,1,0,0,0,0|1,0,1]=4 112 B6R0.4 CN(C)CCCN PHBB_SC-04668 [1,1,0,0,0,0|0,0,1]=3 113 B6R0.4 CN(C)CCCO PHBB_SC-04894 [1,1,0,0,0,0|0,0,2]=4 114 B6R0.4 NCCCC(=O)O PHBB_NC-03308 [1,1,0,0,0,0|2,0,0]=4 115 B6R0.4 O=C(Cl)CCCCl PHBB_SC-04914 [1,1,0,0,0,0|2,0,0]=4 116 B6R0.7 CC(C)(C)C(=O)Cl PHBB_SC-04833 [0,1,0,0,1,0|2,0,0]=4 117 B6R0.7 CC(C)(N)C(=O)O PHBB_SC-08466 [0,1,0,0,1,0|2,0,0]=4 118 B6R0.7 CN(C)S(=O)(=O)Cl PHBB_SC-08354 [0,1,0,0,1,0|2,0,0]=4 119 B8R0.9 CC(C)CNC(=O)CN PHBB_SC-05513 [0,1,0,0,0,1|1,0,0]=3 120 B8R0.23 CC(C)C[C@H](N)C(N)=O PHBB_NC-02069 [0,1,0,0,0,1|1,0,0]=3 121 B8R0.23 CN(C)C(=N)NC(=N)N PHBB_SC-03769 [0,1,0,0,0,1|1,0,1]=4 122 B8R0.2 CC[C@H](C)[C@H](N)C(N)=O PHBB_NC-03061 [0,2,0,0,0,0|1,0,0]=3 123 B8R0.2 COC(=O)[C@@H](N)C(C)C PHBB_NC-01230 [0,2,0,0,0,0|2,0,0]=4 124 B8R0.16 COC(CC(C)=O)OC PHBB_SC-05003 [0,2,0,0,0,0|2,0,0]=4 125 B8R0.19 CCC(=O)CC(C)CC PHBB_SC-04960 [0,2,0,0,0,0|2,0,0]=4 126 B8R0.24 CC(C)(C)OC(=O)NN PHBB_SC-05109 [0,2,0,0,0,0|2,0,0]=4 127 B8R0.34 CN(C)CC(C)(C)C=O PHBB_SC-03604 [0,2,0,0,0,0|1,0,1]=4 128 B8R0.27 [C@H](N)(C(=O)O)C(C)(C)S PHBB_NC-01723 [0,2,0,0,0,0|2,0,0]=4 129 B8R0.27 [C@H](N)(C(=O)O)C(C)(C)S PHBB_NC-03442 [0,2,0,0,0,0|2,0,0]=4 130 B6R1.2 NC1=NCCC1 PHBB_SC-10252 [1,0,0,1,0,0|2,0,0]=4 131 B6R1.2 O=C1CCCC1 PHBB_SC-06360 [1,0,0,1,0,0|2,0,0]=4 132 B6R1.2 O=C1CCSC1 PHBB_SC-05924 [1,0,0,1,0,0|2,0,0]=4 133 B6R1.2 O=C1NCCO1 PHBB_SC-08424 [1,0,0,1,0,0|2,0,0]=4 134 B6R1.11 O=C(Cl)C1CC1 PHBB_SC-04727 [1,0,0,1,0,0|2,0,0]=4 135 B8R1.3 CC1CCC(=O)CC1 PHBB_SC-04943 [0,0,0,1,0,1|2,0,0]=4 136 B8R1.3 CN1CCN(N)CC1 PHBB_SC-04652 [0,0,0,1,0,1|2,0,0]=4 137 B8R1.3 O=C1CNC(=O)CN1 PHBB_NC-00095 [0,0,0,1,0,1|2,0,0]=4 138 B8R1.1 O=C1NCC(CCl)O1 PHBB_SC-07898 [0,1,0,1,0,0|2,0,0]=4 139 B8R1.4 CC1CCCC(=O)C1 PHBB_SC-05010 [0,1,0,1,0,0|2,0,0]=4 140 B8R1.18 CC1=CC(N)=NN1C PHBB_SC-09995 [0,1,0,1,0,0|2,0,0]=4 141 B8R1.18 CN1CC(=O)NC1=N PHBB_NC-00760 [0,1,0,1,0,0|0,0,1]=3 142 B8R1.18 CN1CC(=O)NC1=O PHBB_NC-01812 [0,1,0,1,0,0|0,0,1]=3 143 B8R0.28 CC(=O)CCC=C(C)C PHBB_NC-00154 [0,0,0,0,0,2|2,0,0]=4 144 B8R0.28 CN(C)CCCC(=O)O PHBB_SC-06113 [0,0,0,0,0,2|1,0,0]=3