0 B5R0.3 C=CC(=O)OC PHBB_SC-04970 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.3 CCC(=O)CC PHBB_SC-05000 [0,0,0,0,0,0|2,0,2]=4 2 B5R0.3 CCC(=O)NO PHBB_SC-04691 [0,0,0,0,0,0|2,0,2]=4 3 B5R0.3 CCC(N)CO PHBB_SC-08351 [0,0,0,0,0,0|1,0,2]=3 4 B5R0.3 ClCC(Cl)CCl PHBB_SC-00447 [0,0,0,0,0,0|3,0,1]=4 5 B5R0.3 NCC(O)CN PHBB_SC-04817 [0,0,0,0,0,0|3,0,1]=4 6 B5R0.3 OCC(O)CCl PHBB_SC-04805 [0,0,0,0,0,0|2,0,2]=4 7 B4R0.1 C#CC(C)O PHBB_SC-04755 [1,0,0,0,0,0|0,0,3]=4 8 B4R0.1 C=C(C)C#N PHBB_SC-04900 [1,0,0,0,0,0|1,0,2]=4 9 B4R0.1 CC(=O)CCl PHBB_SC-12103 [1,0,0,0,0,0|1,0,1]=3 10 B4R0.1 CC(=O)CO PHBB_SC-04985 [1,0,0,0,0,0|1,0,1]=3 11 B4R0.1 CC(C)C=O PHBB_SC-11309 [1,0,0,0,0,0|0,0,0]=1 12 B4R0.1 CC(C)CBr PHBB_SC-12096 [1,0,0,0,0,0|1,0,1]=3 13 B4R0.1 CC(C)CI PHBB_SC-04973 [1,0,0,0,0,0|1,0,1]=3 14 B4R0.1 CC(N)CN PHBB_SC-04768 [1,0,0,0,0,0|2,0,0]=3 15 B4R0.1 CC(O)CCl PHBB_SC-05016 [1,0,0,0,0,0|1,0,1]=3 16 B4R0.1 CC(O)CO PHBB_SC-05074 [1,0,0,0,0,0|1,0,1]=3 17 B4R0.1 CCC(=O)Cl PHBB_SC-04995 [1,0,0,0,0,0|1,0,1]=3 18 B4R0.1 CCC(C)=O PHBB_SC-05025 [1,0,0,0,0,0|0,0,1]=2 19 B4R0.1 CCC(C)N PHBB_SC-04843 [1,0,0,0,0,0|1,0,0]=2 20 B4R0.1 CCC(C)O PHBB_SC-05058 [1,0,0,0,0,0|0,0,1]=2 21 B4R0.1 CNC(N)=O PHBB_SC-05181 [1,0,0,0,0,0|2,0,1]=4 22 B4R0.1 COC(=O)Cl PHBB_SC-05098 [1,0,0,0,0,0|2,0,1]=4 23 B4R0.1 COC(N)=O PHBB_SC-04967 [1,0,0,0,0,0|2,0,1]=4 24 B4R0.1 NC(=O)CCl PHBB_SC-00189 [1,0,0,0,0,0|2,0,1]=4 25 B4R0.1 O=C(Br)CBr PHBB_SC-04910 [1,0,0,0,0,0|2,0,1]=4 26 B4R0.1 O=C(Cl)CCl PHBB_SC-04838 [1,0,0,0,0,0|2,0,1]=4 27 B4R0.1 O=C(O)CCl PHBB_SC-12050 [1,0,0,0,0,0|2,0,1]=4 28 B4R0.1 O=C(O)CI PHBB_SC-04669 [1,0,0,0,0,0|2,0,1]=4 29 B4R0.1 [C@H](C)(O)CN PHBB_NC-02041 [1,0,0,0,0,0|1,0,1]=3 30 B4R0.2 BrCCCBr PHBB_SC-04807 [1,0,0,0,0,0|2,0,1]=4 31 B4R0.2 CC=CCO PHBB_NC-03012 [1,0,0,0,0,0|2,0,1]=4 32 B4R0.2 CCCCCl PHBB_SC-05081 [1,0,0,0,0,0|1,0,1]=3 33 B4R0.2 CCCCI PHBB_SC-04996 [1,0,0,0,0,0|1,0,1]=3 34 B4R0.2 CCCCN PHBB_SC-04859 [1,0,0,0,0,0|1,0,1]=3 35 B4R0.2 CCN=C=S PHBB_SC-04720 [1,0,0,0,0,0|1,1,1]=4 36 B4R0.2 CNCCN PHBB_NC-03502 [1,0,0,0,0,0|2,0,1]=4 37 B4R0.2 CNCCO PHBB_SC-04984 [1,0,0,0,0,0|1,0,2]=4 38 B4R0.2 COCCBr PHBB_SC-08443 [1,0,0,0,0,0|2,0,1]=4 39 B4R0.2 COCCCl PHBB_SC-05043 [1,0,0,0,0,0|2,0,1]=4 40 B4R0.2 C\C=C\C=O PHBB_SC-04963 [1,0,0,0,0,0|0,0,2]=3 41 B4R0.2 N#CCCBr PHBB_SC-06209 [1,0,0,0,0,0|2,0,1]=4 42 B4R0.2 N#CCCO PHBB_SC-01851 [1,0,0,0,0,0|2,0,1]=4 43 B4R0.2 NCCCBr PHBB_SC-04694 [1,0,0,0,0,0|2,0,1]=4 44 B4R0.2 NCCCCl PHBB_SC-05190 [1,0,0,0,0,0|2,0,1]=4 45 B4R0.2 NCCCN PHBB_NC-02031 [1,0,0,0,0,0|2,0,1]=4 46 B4R0.2 NNCCO PHBB_SC-09795 [1,0,0,0,0,0|3,0,0]=4 47 B4R0.2 OCCCBr PHBB_SC-05233 [1,0,0,0,0,0|1,0,2]=4 48 B6R0.1 C=CC(=O)OCC PHBB_SC-05117 [0,1,0,0,0,0|2,0,1]=4 49 B6R0.1 CCC(C)N=C=S PHBB_NC-03316 [0,1,0,0,0,0|0,1,1]=3 50 B6R0.1 CNCC(O)CO PHBB_SC-02943 [0,1,0,0,0,0|1,0,2]=4 51 B6R0.3 CCC(Br)C(=O)O PHBB_SC-06206 [0,1,0,0,0,0|1,0,0]=2 52 B6R0.3 COC(=O)C(C)=O PHBB_SC-04860 [0,1,0,0,0,0|2,0,1]=4 53 B6R0.3 C\C=C(/C)C(=O)O PHBB_NC-01981 [0,1,0,0,0,0|0,0,2]=3 54 B6R0.3 NC(CO)C(=O)O PHBB_SC-06219 [0,1,0,0,0,0|2,0,0]=3 55 B6R0.3 N[C@@H](CS)C(=O)O PHBB_NC-02028 [0,1,0,0,0,0|2,0,0]=3 56 B6R0.8 CC(N)(CO)CO PHBB_SC-08323 [0,1,0,0,0,0|1,0,2]=4 57 B6R0.9 COC(CCl)OC PHBB_SC-05114 [0,1,0,0,0,0|2,0,1]=4 58 B6R0.9 COC(CN)OC PHBB_SC-04836 [0,1,0,0,0,0|2,0,1]=4 59 B6R1.2 NC1CCCC1 PHBB_SC-12217 [0,0,0,1,0,0|2,0,1]=4 60 B3R0.1 BrCCBr PHBB_SC-05173 [2,0,0,0,0,0|2,0,0]=4 61 B3R0.1 CCCI PHBB_SC-04991 [2,0,0,0,0,0|1,0,0]=3 62 B3R0.1 CNC=O PHBB_SC-04993 [2,0,0,0,0,0|1,0,0]=3 63 B3R0.1 ClCCBr PHBB_SC-04697 [2,0,0,0,0,0|2,0,0]=4 64 B3R0.1 NCCCl PHBB_SC-05201 [2,0,0,0,0,0|2,0,0]=4 65 B3R0.1 O=CC=O PHBB_SC-05186 [2,0,0,0,0,0|1,0,1]=4 66 B3R0.1 OCCBr PHBB_SC-05046 [2,0,0,0,0,0|1,0,1]=4 67 B3R0.1 OCCCl PHBB_SC-05088 [2,0,0,0,0,0|1,0,1]=4 68 B3R0.1 OCCF PHBB_SC-00450 [2,0,0,0,0,0|1,0,1]=4 69 B3R0.1 OCCI PHBB_SC-11764 [2,0,0,0,0,0|1,0,1]=4 70 B3R0.1 SCCS PHBB_SC-04766 [2,0,0,0,0,0|1,1,0]=4 71 B3R0.2 CC(C)Br PHBB_SC-08401 [2,0,0,0,0,0|1,0,0]=3 72 B3R0.2 CC(C)I PHBB_SC-04988 [2,0,0,0,0,0|1,0,0]=3 73 B5R0.1 C=C(C)CCO PHBB_NC-02008 [1,1,0,0,0,0|0,0,1]=3 74 B5R0.1 CC(=O)CCO PHBB_SC-08418 [1,1,0,0,0,0|0,0,1]=3 75 B5R0.1 CC(C)=CCO PHBB_NC-02002 [1,1,0,0,0,0|0,0,2]=4 76 B5R0.1 CC(C)CC=O PHBB_NC-03017 [1,1,0,0,0,0|0,0,0]=2 77 B5R0.1 CC(C)CCBr PHBB_SC-08456 [1,1,0,0,0,0|0,0,1]=3 78 B5R0.1 CC(C)CCI PHBB_SC-12249 [1,1,0,0,0,0|0,0,1]=3 79 B5R0.1 CC(C)CCS PHBB_SC-08348 [1,1,0,0,0,0|0,0,1]=3 80 B5R0.1 CC(C)N=C=S PHBB_NC-03314 [1,1,0,0,0,0|0,1,1]=4 81 B5R0.1 CC(O)CCO PHBB_SC-11802 [1,1,0,0,0,0|0,0,1]=3 82 B5R0.1 CCCC(=O)Cl PHBB_SC-04929 [1,1,0,0,0,0|1,0,1]=4 83 B5R0.1 CCCC(C)O PHBB_SC-05052 [1,1,0,0,0,0|0,0,1]=3 84 B5R0.1 CCC[N+](=O)[O-] PHBB_SC-04987 [1,1,0,0,0,0|2,0,0]=4 85 B5R0.1 CCOC(=O)Cl PHBB_SC-05103 [1,1,0,0,0,0|1,0,1]=4 86 B5R0.1 CN(C)CCCl PHBB_SC-05225 [1,1,0,0,0,0|1,0,1]=4 87 B5R0.1 CN(C)CCN PHBB_SC-10777 [1,1,0,0,0,0|1,0,1]=4 88 B5R0.1 CNCC(=O)O PHBB_NC-02026 [1,1,0,0,0,0|1,0,1]=4 89 B5R0.1 CNCC(N)=O PHBB_NC-02184 [1,1,0,0,0,0|1,0,1]=4 90 B5R0.1 COCC(=O)Cl PHBB_SC-11015 [1,1,0,0,0,0|1,0,1]=4 91 B5R0.1 NC(=O)CCCl PHBB_SC-05035 [1,1,0,0,0,0|1,0,1]=4 92 B5R0.1 NCCC(=O)O PHBB_SC-11806 [1,1,0,0,0,0|1,0,1]=4 93 B5R0.1 O=C(Cl)CCBr PHBB_SC-05189 [1,1,0,0,0,0|1,0,1]=4 94 B5R0.1 O=C(Cl)CCCl PHBB_SC-04917 [1,1,0,0,0,0|1,0,1]=4 95 B5R0.1 O=C(O)CCCl PHBB_SC-05013 [1,1,0,0,0,0|1,0,1]=4 96 B5R0.4 C#CC(C)(C)O PHBB_SC-04794 [1,1,0,0,0,0|1,0,1]=4 97 B5R0.4 CC(C)(C)NN PHBB_SC-11801 [1,1,0,0,0,0|2,0,0]=4 98 B5R0.4 CC(C)(N)CO PHBB_SC-04746 [1,1,0,0,0,0|0,0,2]=4 99 B5R0.4 CC(C)(O)C#N PHBB_SC-04712 [1,1,0,0,0,0|1,0,1]=4 100 B5R0.4 O=CC(Cl)(Cl)Cl PHBB_SC-04828 [1,1,0,0,0,0|2,0,0]=4 101 B5R0.4 O=CC(Cl)(Cl)Cl PHBB_SC-10780 [1,1,0,0,0,0|2,0,0]=4 102 B5R0.5 C=C(C)C(=O)Cl PHBB_SC-00039 [1,1,0,0,0,0|0,0,2]=4 103 B5R0.5 C=C(C)C(=O)O PHBB_NC-01983 [1,1,0,0,0,0|0,0,2]=4 104 B5R0.5 C=C(C)C(N)=O PHBB_SC-04926 [1,1,0,0,0,0|0,0,2]=4 105 B5R0.5 CC(=O)C(=O)O PHBB_SC-05182 [1,1,0,0,0,0|1,0,1]=4 106 B5R0.5 CC(=O)C(C)=O PHBB_SC-05922 [1,1,0,0,0,0|0,0,2]=4 107 B5R0.5 CC(C)C(=N)N PHBB_SC-09688 [1,1,0,0,0,0|1,0,0]=3 108 B5R0.5 CC(C)C(=O)Cl PHBB_SC-11808 [1,1,0,0,0,0|0,0,0]=2 109 B5R0.5 CC(C)C(=O)O PHBB_SC-04925 [1,1,0,0,0,0|0,0,0]=2 110 B5R0.5 CC(C)[N+](=O)[O-] PHBB_SC-05100 [1,1,0,0,0,0|1,0,0]=3 111 B5R0.5 CC(O)C(N)=O PHBB_SC-05061 [1,1,0,0,0,0|1,0,0]=3 112 B5R0.5 CC(S)C(=O)O PHBB_SC-06200 [1,1,0,0,0,0|1,0,0]=3 113 B5R0.5 CN(C)C(=O)Cl PHBB_SC-11014 [1,1,0,0,0,0|1,0,0]=3 114 B5R0.5 CN(C)C(=S)Cl PHBB_SC-08317 [1,1,0,0,0,0|1,1,0]=4 115 B5R0.5 CN(C)C(=S)[S-] PHBB_SC-04670 [1,1,0,0,0,0|1,1,0]=4 116 B5R0.5 C[C@H](N)C(N)=O PHBB_NC-02086 [1,1,0,0,0,0|1,0,0]=3 117 B5R0.5 C[C@H](O)C(=O)O PHBB_NC-03024 [1,1,0,0,0,0|1,0,0]=3 118 B5R0.5 N=C(/N)N(C)C PHBB_SC-08467 [1,1,0,0,0,0|2,0,0]=4 119 B5R0.5 NC(=O)C(Cl)Cl PHBB_SC-05943 [1,1,0,0,0,0|2,0,0]=4 120 B5R0.5 O=C(Cl)C(Cl)Cl PHBB_SC-04922 [1,1,0,0,0,0|2,0,0]=4 121 B5R0.5 O=C(O)C(Cl)Cl PHBB_SC-05023 [1,1,0,0,0,0|2,0,0]=4 122 B5R0.2 BrCCCCBr PHBB_SC-08382 [1,1,0,0,0,0|1,0,1]=4 123 B5R0.2 CCCCC=O PHBB_NC-02017 [1,1,0,0,0,0|0,0,0]=2 124 B5R0.2 CCCCCN PHBB_SC-04890 [1,1,0,0,0,0|1,0,1]=4 125 B5R0.2 CCNCCO PHBB_SC-05148 [1,1,0,0,0,0|0,0,2]=4 126 B5R0.2 CCOCCBr PHBB_SC-08473 [1,1,0,0,0,0|1,0,1]=4 127 B5R0.2 CNCCC#N PHBB_SC-05091 [1,1,0,0,0,0|1,0,1]=4 128 B5R0.2 CNCCCN PHBB_SC-05092 [1,1,0,0,0,0|1,0,1]=4 129 B5R0.2 COCCCN PHBB_SC-04854 [1,1,0,0,0,0|1,0,1]=4 130 B5R0.2 NCCCCN PHBB_NC-01976 [1,1,0,0,0,0|1,0,1]=4 131 B5R0.2 O=C=NCCCl PHBB_SC-02945 [1,1,0,0,0,0|1,0,1]=4 132 B7R0.5 CCOC(=O)C(=O)Cl PHBB_SC-04645 [0,2,0,0,0,0|1,0,1]=4 133 B7R0.5 CCOC(=O)C(C)=O PHBB_SC-08023 [0,2,0,0,0,0|1,0,1]=4 134 B7R0.5 CCOC(=O)C(N)=O PHBB_SC-05129 [0,2,0,0,0,0|1,0,1]=4 135 B7R0.7 CCOC(C)OCC PHBB_SC-05108 [0,2,0,0,0,0|1,0,1]=4 136 B7R0.10 [C@H](N)(CO)C(=O)OC PHBB_NC-01975 [0,2,0,0,0,0|2,0,0]=4 137 B7R0.12 CNCC(OC)OC PHBB_SC-04026 [0,2,0,0,0,0|2,0,0]=4 138 B7R0.15 CCN(CC)C(=S)[S-] PHBB_SC-00443 [0,2,0,0,0,0|1,1,0]=4 139 B7R0.15 COC(OC)C(C)=O PHBB_SC-05001 [0,2,0,0,0,0|1,0,0]=3 140 B7R0.16 CC(=O)C(Cl)C(C)=O PHBB_SC-05194 [0,2,0,0,0,0|1,0,1]=4 141 B7R0.16 CC(C(=O)O)C(=O)O PHBB_SC-08329 [0,2,0,0,0,0|1,0,1]=4 142 B7R0.16 CC(C)C(Br)C(=O)O PHBB_SC-00103 [0,2,0,0,0,0|1,0,0]=3 143 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O PHBB_SC-06218 [0,2,0,0,0,0|1,0,0]=3 144 B7R0.18 CCC(N)(CO)CO PHBB_SC-05125 [0,2,0,0,0,0|0,0,2]=4 145 B5R1.3 BrCC1CC1 PHBB_SC-03547 [1,0,0,1,0,0|1,0,1]=4 146 B5R1.3 C(=O)C1CC1 PHBB_SC-11308 [1,0,0,1,0,0|0,0,0]=2 147 B5R1.3 CCC1CO1 PHBB_SC-05207 [1,0,0,1,0,0|0,0,1]=3 148 B5R1.3 ClCC1CO1 PHBB_SC-04896 [1,0,0,1,0,0|1,0,1]=4 149 B5R1.3 ClC[C@H]1CO1 PHBB_SC-09799 [1,0,0,1,0,0|1,0,1]=4 150 B5R1.3 NCC1CC1 PHBB_SC-03507 [1,0,0,1,0,0|1,0,1]=4 151 B5R1.1 C1=COCC1 PHBB_SC-04752 [1,0,0,1,0,0|0,0,2]=4 152 B7R1.1 CNC1CCSC1 PHBB_SC-11641 [0,1,0,1,0,0|0,1,1]=4 153 B7R1.1 OC[C@@H]1CCCN1 PHBB_SC-12126 [0,1,0,1,0,0|0,0,2]=4 154 B7R1.2 CC1CCC(=O)O1 PHBB_SC-05085 [0,1,0,1,0,0|0,0,0]=2 155 B7R1.2 C[C@@H]1COC(=O)O1 PHBB_NC-03242 [0,1,0,1,0,0|1,0,0]=3 156 B7R1.2 NC1=CC(=O)CC1 PHBB_SC-08308 [0,1,0,1,0,0|1,0,1]=4 157 B7R1.2 O=C1C=C(Cl)CC1 PHBB_SC-08309 [0,1,0,1,0,0|1,0,1]=4 158 B7R1.2 O=C1CCC(=O)C1 PHBB_SC-04522 [0,1,0,1,0,0|1,0,1]=4 159 B7R1.2 O=C1CCC(=O)N1 PHBB_SC-04903 [0,1,0,1,0,0|1,0,1]=4 160 B7R1.4 NC1CCOC1=O PHBB_NC-02664 [0,1,0,1,0,0|1,0,0]=3 161 B7R1.4 NC1CCSC1=O PHBB_SC-07879 [0,1,0,1,0,0|1,0,0]=3 162 B7R1.4 N[C@@H]1CONC1=O PHBB_NC-01485 [0,1,0,1,0,0|2,0,0]=4 163 B7R1.4 O=C1OCCC1Br PHBB_SC-05968 [0,1,0,1,0,0|1,0,0]=3 164 B7R1.25 CC1(CO)COC1 PHBB_SC-07934 [0,1,0,1,0,0|0,0,2]=4 165 B7R1.18 O=C(O)C1CCC1 PHBB_SC-04033 [0,1,0,1,0,0|0,0,0]=2 166 B7R1.18 O=C(O)C1CNC1 PHBB_SC-12123 [0,1,0,1,0,0|1,0,0]=3