0 B6R0.6 BrCCCCCBr PHBB_SC-04921 [0,0,0,0,0,0|2,0,0]=2 1 B6R0.6 CCCCCCBr PHBB_SC-04802 [0,0,0,0,0,0|1,0,0]=1 2 B6R0.6 CCCCCCI PHBB_SC-05060 [0,0,0,0,0,0|1,0,0]=1 3 B6R0.6 CCCCCCN PHBB_SC-04051 [0,0,0,0,0,0|1,0,0]=1 4 B6R0.6 CCCCN=C=O PHBB_SC-04717 [0,0,0,0,0,0|1,1,1]=3 5 B6R0.6 CCCCOC=O PHBB_SC-05072 [0,0,0,0,0,0|1,1,1]=3 6 B6R0.6 CCCNCCC PHBB_SC-05009 [0,0,0,0,0,0|2,0,0]=2 7 B6R0.6 CCOCCCN PHBB_SC-04954 [0,0,0,0,0,0|2,0,0]=2 8 B6R0.6 COCCN=C=S PHBB_SC-01418 [0,0,0,0,0,0|2,0,2]=4 9 B6R0.6 NCCCCCN PHBB_NC-02994 [0,0,0,0,0,0|2,0,0]=2 10 B6R0.6 NCCNCCN PHBB_SC-04055 [0,0,0,0,0,0|3,0,0]=3 11 B6R0.6 NCCNCCO PHBB_SC-04079 [0,0,0,0,0,0|2,1,0]=3 12 B6R0.6 NCCOCCO PHBB_SC-05132 [0,0,0,0,0,0|2,1,0]=3 13 B6R0.6 NCCSCCO PHBB_SC-06478 [0,0,0,0,0,0|2,1,0]=3 14 B5R0.2 BrCCCCBr PHBB_SC-08382 [1,0,0,0,0,0|2,0,0]=3 15 B5R0.2 CCCCC=O PHBB_NC-02017 [1,0,0,0,0,0|0,1,1]=3 16 B5R0.2 CCCCCN PHBB_SC-04890 [1,0,0,0,0,0|1,0,0]=2 17 B5R0.2 CCNCCO PHBB_SC-05148 [1,0,0,0,0,0|1,1,0]=3 18 B5R0.2 CCOCCBr PHBB_SC-08473 [1,0,0,0,0,0|2,0,0]=3 19 B5R0.2 CNCCC#N PHBB_SC-05091 [1,0,0,0,0,0|2,0,1]=4 20 B5R0.2 CNCCCN PHBB_SC-05092 [1,0,0,0,0,0|2,0,0]=3 21 B5R0.2 COCCCN PHBB_SC-04854 [1,0,0,0,0,0|2,0,0]=3 22 B5R0.2 NCCCCN PHBB_NC-01976 [1,0,0,0,0,0|2,0,0]=3 23 B7R0.1 C=CCCCCCC PHBB_SC-05229 [0,1,0,0,0,0|1,0,0]=2 24 B7R0.1 CCCCCCCI PHBB_SC-00341 [0,1,0,0,0,0|1,0,0]=2 25 B7R0.1 CCCCCN=C=S PHBB_NC-03317 [0,1,0,0,0,0|0,0,2]=3 26 B7R0.1 COCCCN=C=S PHBB_SC-01417 [0,1,0,0,0,0|1,0,2]=4 27 B7R0.1 COCCNCC#N PHBB_SC-03832 [0,1,0,0,0,0|2,0,1]=4 28 B7R0.1 NCCCCCCN PHBB_NC-03013 [0,1,0,0,0,0|1,0,0]=2 29 B7R0.1 NCCSSCCN PHBB_SC-00333 [0,1,0,0,0,0|3,0,0]=4 30 B7R0.3 CCCCC(=O)CC PHBB_SC-05087 [0,1,0,0,0,0|1,0,1]=3 31 B7R0.3 CCCCC(=O)NN PHBB_SC-06626 [0,1,0,0,0,0|2,0,1]=4 32 B7R0.3 COC(=O)CCCCl PHBB_SC-05220 [0,1,0,0,0,0|2,0,1]=4 33 B7R0.4 CCCCCC(C)=O PHBB_SC-04832 [0,1,0,0,0,0|0,1,1]=3 34 B7R0.4 CCCCOC(=O)Cl PHBB_SC-04873 [0,1,0,0,0,0|1,1,1]=4 35 B7R0.4 NCCCCC(=O)O PHBB_NC-02991 [0,1,0,0,0,0|1,1,1]=4 36 B7R0.7 CCCC(=O)CCC PHBB_SC-04999 [0,1,0,0,0,0|1,0,1]=3 37 B7R0.7 CCOC(C)OCC PHBB_SC-05108 [0,1,0,0,0,0|3,0,0]=4 38 B7R1.1 BrCC1OCCO1 PHBB_SC-08352 [0,0,0,1,0,0|2,1,0]=4 39 B7R1.1 CNC1CCSC1 PHBB_SC-11641 [0,0,0,1,0,0|3,0,0]=4 40 B7R1.1 ClCC1OCCO1 PHBB_SC-04751 [0,0,0,1,0,0|2,1,0]=4 41 B7R1.1 OC[C@@H]1CCCN1 PHBB_SC-12126 [0,0,0,1,0,0|1,1,0]=3 42 B7R1.3 CN1CCNCC1 PHBB_SC-04649 [0,0,0,1,0,0|3,0,0]=4 43 B7R1.3 NN1CCCCC1 PHBB_SC-03505 [0,0,0,1,0,0|2,0,0]=3 44 B7R1.3 NN1CCOCC1 PHBB_SC-04661 [0,0,0,1,0,0|3,0,0]=4 45 B7R1.3 O=C1CCCCN1 PHBB_SC-04994 [0,0,0,1,0,0|1,1,1]=4 46 B7R1.3 O=C1CCNCC1 PHBB_SC-12253 [0,0,0,1,0,0|1,1,1]=4 47 B7R1.3 O=C1CCOCC1 PHBB_SC-10986 [0,0,0,1,0,0|1,1,1]=4 48 B7R1.3 O=C1CCSCC1 PHBB_SC-12254 [0,0,0,1,0,0|1,1,1]=4 49 B7R1.3 OC1CCCCC1 PHBB_SC-05082 [0,0,0,1,0,0|0,1,0]=2 50 B7R1.3 OC1CCNCC1 PHBB_SC-01870 [0,0,0,1,0,0|1,1,0]=3 51 B7R1.3 OC1COCOC1 PHBB_SC-05062 [0,0,0,1,0,0|2,1,0]=4 52 B7R1.3 SC1=NCCCN1 PHBB_SC-03970 [0,0,0,1,0,0|2,0,1]=4 53 B7R1.4 NC1CSCC1O PHBB_NC-01912 [0,0,0,1,0,0|2,1,0]=4 54 B7R1.4 OC1COCC1O PHBB_NC-02253 [0,0,0,1,0,0|2,1,0]=4 55 B7R1.7 CCCCC1CO1 PHBB_SC-04031 [0,0,0,1,0,0|0,1,0]=2 56 B7R1.24 C1CCCNCC1 PHBB_SC-12104 [0,0,0,1,0,0|1,0,0]=2 57 B7R1.24 C1CNCCNC1 PHBB_SC-11036 [0,0,0,1,0,0|2,0,0]=3 58 B4R0.2 BrCCCBr PHBB_SC-04807 [2,0,0,0,0,0|2,0,0]=4 59 B4R0.2 CCCCCl PHBB_SC-05081 [2,0,0,0,0,0|1,0,0]=3 60 B4R0.2 CCCCI PHBB_SC-04996 [2,0,0,0,0,0|1,0,0]=3 61 B4R0.2 CCCCN PHBB_SC-04859 [2,0,0,0,0,0|1,0,0]=3 62 B4R0.2 CNCCN PHBB_NC-03502 [2,0,0,0,0,0|2,0,0]=4 63 B4R0.2 CNCCO PHBB_SC-04984 [2,0,0,0,0,0|1,1,0]=4 64 B4R0.2 COCCBr PHBB_SC-08443 [2,0,0,0,0,0|2,0,0]=4 65 B4R0.2 COCCCl PHBB_SC-05043 [2,0,0,0,0,0|2,0,0]=4 66 B4R0.2 NCCCBr PHBB_SC-04694 [2,0,0,0,0,0|2,0,0]=4 67 B4R0.2 NCCCCl PHBB_SC-05190 [2,0,0,0,0,0|2,0,0]=4 68 B4R0.2 NCCCN PHBB_NC-02031 [2,0,0,0,0,0|2,0,0]=4 69 B4R0.2 OCCCBr PHBB_SC-05233 [2,0,0,0,0,0|1,1,0]=4 70 B6R0.1 CCOC(=O)CS PHBB_SC-05151 [1,1,0,0,0,0|1,0,1]=4 71 B6R0.1 CNCC(O)CO PHBB_SC-02943 [1,1,0,0,0,0|1,1,0]=4 72 B6R0.4 CC(=O)CCCCl PHBB_SC-05457 [1,1,0,0,0,0|1,0,1]=4 73 B6R0.4 CC(C)OCCCl PHBB_SC-02330 [1,1,0,0,0,0|2,0,0]=4 74 B6R0.4 CCCCC(=O)Cl PHBB_SC-04938 [1,1,0,0,0,0|0,1,1]=4 75 B6R0.4 CCCCC(C)=O PHBB_SC-04978 [1,1,0,0,0,0|0,0,1]=3 76 B6R0.4 CN(C)CCCCl PHBB_SC-04010 [1,1,0,0,0,0|2,0,0]=4 77 B6R0.4 CN(C)CCCN PHBB_SC-04668 [1,1,0,0,0,0|2,0,0]=4 78 B6R0.4 CN(C)CCCO PHBB_SC-04894 [1,1,0,0,0,0|1,1,0]=4 79 B8R0.1 CCOC(=O)CCCCl PHBB_SC-05176 [0,2,0,0,0,0|1,0,1]=4 80 B8R0.4 CCCCCCCCCl PHBB_SC-05084 [0,2,0,0,0,0|1,0,0]=3 81 B8R0.4 CCCCCCCCI PHBB_SC-00129 [0,2,0,0,0,0|1,0,0]=3 82 B8R0.4 CCCCNCCCC PHBB_SC-05089 [0,2,0,0,0,0|1,0,0]=3 83 B8R0.4 COCCNCCOC PHBB_SC-05130 [0,2,0,0,0,0|1,1,0]=4 84 B8R0.6 CCCCCC(=O)CC PHBB_SC-04968 [0,2,0,0,0,0|1,0,0]=3 85 B8R0.7 CC(C)CNCCCO PHBB_SC-06894 [0,2,0,0,0,0|0,1,0]=3 86 B8R0.7 CCCCCCC(C)=O PHBB_SC-04965 [0,2,0,0,0,0|0,1,0]=3 87 B8R0.7 O=C(O)CCCCCBr PHBB_SC-05192 [0,2,0,0,0,0|0,1,1]=4 88 B8R0.3 [C@H](N)(CS)C(=O)OCC PHBB_NC-02014 [0,2,0,0,0,0|1,0,1]=4 89 B8R0.8 CCCCC(Br)C(=O)O PHBB_SC-04834 [0,2,0,0,0,0|0,1,1]=4 90 B8R0.8 CCCCC(N)C(=O)O PHBB_SC-05891 [0,2,0,0,0,0|0,1,1]=4 91 B8R0.9 CC(C)OCC(O)CN PHBB_SC-06821 [0,2,0,0,0,0|2,0,0]=4 92 B8R0.11 CCCCC(C=O)CC PHBB_NC-03305 [0,2,0,0,0,0|1,0,0]=3 93 B8R0.11 CCN(CC)CCCN PHBB_SC-05128 [0,2,0,0,0,0|2,0,0]=4 94 B8R0.19 CCC(=O)CC(C)CC PHBB_SC-04960 [0,2,0,0,0,0|1,0,1]=4 95 B8R0.25 C#CC(C)(O)CCCC PHBB_SC-06993 [0,2,0,0,0,0|1,0,1]=4 96 B8R0.28 CC(C)CNCC(C)O PHBB_SC-06892 [0,2,0,0,0,0|1,1,0]=4 97 B8R0.28 CC(O)CNCC(C)O PHBB_SC-05198 [0,2,0,0,0,0|1,1,0]=4 98 B6R1.1 C1CSCCN1 PHBB_SC-08339 [1,0,0,1,0,0|1,0,0]=3 99 B6R1.2 NC1CCCC1 PHBB_SC-12217 [1,0,0,1,0,0|1,0,0]=3 100 B6R1.2 O=C1CCCC1 PHBB_SC-06360 [1,0,0,1,0,0|0,1,1]=4 101 B6R1.3 COCC1CO1 PHBB_SC-06229 [1,0,0,1,0,0|1,1,0]=4 102 B8R1.2 BrCC1CCCCO1 PHBB_SC-07896 [0,1,0,1,0,0|0,1,0]=3 103 B8R1.2 CCN1CCNCC1 PHBB_SC-04934 [0,1,0,1,0,0|2,0,0]=4 104 B8R1.2 CNC1CCCCC1 PHBB_SC-05011 [0,1,0,1,0,0|1,0,0]=3 105 B8R1.2 CNC1CCSCC1 PHBB_SC-11233 [0,1,0,1,0,0|2,0,0]=4 106 B8R1.2 ClCC1CCCCO1 PHBB_SC-07949 [0,1,0,1,0,0|0,1,0]=3 107 B8R1.2 ClCC1COCCO1 PHBB_SC-07916 [0,1,0,1,0,0|1,1,0]=4 108 B8R1.5 CC1CCCCC1=O PHBB_SC-04945 [0,1,0,1,0,0|0,1,0]=3 109 B8R1.5 NC1CCCCC1N PHBB_SC-06000 [0,1,0,1,0,0|1,0,0]=3 110 B8R1.5 O=C1CCCCC1Cl PHBB_SC-04048 [0,1,0,1,0,0|0,1,1]=4 111 B8R1.5 OC1CCCCC1O PHBB_SC-06981 [0,1,0,1,0,0|0,1,0]=3 112 B8R1.8 ClCCN1CCCC1 PHBB_SC-04915 [0,1,0,1,0,0|1,0,0]=3 113 B8R1.8 N#CCN1CCCC1 PHBB_SC-09113 [0,1,0,1,0,0|1,0,1]=4 114 B8R1.8 OCCN1CCCC1 PHBB_SC-02808 [0,1,0,1,0,0|0,1,0]=3 115 B8R1.8 S=C=NC1CCCC1 PHBB_SC-07997 [0,1,0,1,0,0|0,0,2]=4 116 B8R1.22 CN1CCCNCC1 PHBB_SC-06295 [0,1,0,1,0,0|2,0,0]=4 117 B8R1.22 NC1=NCCCCC1 PHBB_SC-06290 [0,1,0,1,0,0|1,0,1]=4 118 B8R1.22 O=C1CCCCCN1 PHBB_SC-04792 [0,1,0,1,0,0|0,1,1]=4 119 B8R1.22 O=C1CCCCCO1 PHBB_SC-04881 [0,1,0,1,0,0|0,1,1]=4 120 B8R1.3 CC1CCC(=O)CC1 PHBB_SC-04943 [0,1,0,1,0,0|0,1,1]=4 121 B8R1.3 CC1CNC(C)CN1 PHBB_NC-02992 [0,1,0,1,0,0|2,0,0]=4 122 B8R1.3 CN1CCC(O)CC1 PHBB_SC-04853 [0,1,0,1,0,0|1,1,0]=4 123 B8R1.4 CC1CCCC(=O)C1 PHBB_SC-05010 [0,1,0,1,0,0|0,1,1]=4 124 B8R1.4 CN1CCCC(O)C1 PHBB_SC-01513 [0,1,0,1,0,0|1,1,0]=4 125 B8R1.7 S=C(S)N1CCCC1 PHBB_SC-05204 [0,1,0,1,0,0|1,0,1]=4 126 B8R1.35 CC(C)OCC1CO1 PHBB_SC-04038 [0,1,0,1,0,0|1,1,0]=4 127 B8R1.72 OC1(O)CCNCC1 PHBB_SC-05111 [0,1,0,1,0,0|1,1,0]=4 128 B8R2.25 C1CCC2OC2C1 PHBB_SC-04919 [0,0,0,2,0,0|0,1,0]=3