0 B9R1.6 CC(=O)N1CCNCC1 A12427 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.6 CC(=O)N1CCOCC1 A1047 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.6 N=C(N)C1CC=CCC1 C16838 [0,0,0,0,0,0|2,0,2]=4 3 B9R1.6 N=C(N)C1CCCCC1 C13019 [0,0,0,0,0,0|2,0,0]=2 4 B9R1.6 N=C(N)C1CCCCN1 P16906 [0,0,0,0,0,0|3,0,0]=3 5 B9R1.6 N=C(N)C1CCCNC1 P16907 [0,0,0,0,0,0|3,0,0]=3 6 B9R1.6 N=C(N)C1CCNCC1 P15947 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.6 N=C(N)N1CCCCC1 P13916 [0,0,0,0,0,0|3,0,0]=3 8 B9R1.6 N=C(N)N1CCOCC1 M13127 [0,0,0,0,0,0|4,0,0]=4 9 B9R1.6 NC(=O)C1CCCCN1 P11625 [0,0,0,0,0,0|2,0,0]=2 10 B9R1.6 NC(=O)C1CCCNC1 P11626 [0,0,0,0,0,0|2,0,0]=2 11 B9R1.6 NC(=O)C1CCNCC1 P11627 [0,0,0,0,0,0|2,0,0]=2 12 B9R1.6 NC(=O)C1CNCCN1 P2073 [0,0,0,0,0,0|3,0,0]=3 13 B9R1.6 NC(=S)N1CCCCC1 P0658 [0,0,0,0,0,0|2,1,0]=3 14 B9R1.6 O=C(O)C1=CCCCO1 D16194 [0,0,0,0,0,0|1,0,2]=3 15 B9R1.6 O=C(O)C1CC=CCC1 C3660 [0,0,0,0,0,0|0,0,2]=2 16 B9R1.6 O=C(O)C1CCCCC1 C18818 [0,0,0,0,0,0|0,0,0]=0 17 B9R1.6 O=C(O)C1CCCCN1 P3033 [0,0,0,0,0,0|1,0,0]=1 18 B9R1.6 O=C(O)C1CCCCN1 P3033 [0,0,0,0,0,0|1,0,0]=1 19 B9R1.6 O=C(O)C1CCCCN1 P4996 [0,0,0,0,0,0|1,0,0]=1 20 B9R1.6 O=C(O)C1CCCNC1 P4047 [0,0,0,0,0,0|1,0,0]=1 21 B9R1.6 O=C(O)C1CCNCC1 P1046 [0,0,0,0,0,0|1,0,0]=1 22 B9R1.6 O=C(O)C1CCOCC1 T11054 [0,0,0,0,0,0|1,0,0]=1 23 B9R1.6 O=C(O)C1CNCCN1 P0002 [0,0,0,0,0,0|2,0,0]=2 24 B9R1.6 O=C(O)C1CNCCO1 M14076 [0,0,0,0,0,0|2,0,0]=2 25 B9R1.6 O=C(O)C1CSCCN1 T12966 [0,0,0,0,0,0|2,0,0]=2 26 B9R1.6 O=C(O)[C@@H]1CCCCN1 L6054 [0,0,0,0,0,0|1,0,0]=1 27 B9R1.6 O=C(O)[C@@H]1CCCCN1 L6054 [0,0,0,0,0,0|1,0,0]=1 28 B9R1.6 O=C(O)[C@@H]1CCCNC1 P7231 [0,0,0,0,0,0|1,0,0]=1 29 B9R1.6 O=C(O)[C@@H]1CNCCN1 P1990 [0,0,0,0,0,0|2,0,0]=2 30 B9R1.6 O=C(O)[C@@H]1CNCCN1 S6059 [0,0,0,0,0,0|2,0,0]=2 31 B9R1.6 O=C(O)[C@@H]1COCCN1 M14113 [0,0,0,0,0,0|2,0,0]=2 32 B9R1.6 O=C(O)[C@@H]1CSCCN1 T16413 [0,0,0,0,0,0|2,0,0]=2 33 B9R1.6 O=C(O)[C@H]1CCCNC1 P7232 [0,0,0,0,0,0|1,0,0]=1 34 B9R1.6 O=C(O)[C@H]1CNCCN1 R6058 [0,0,0,0,0,0|2,0,0]=2 35 B9R1.6 O=C(O)[C@H]1CNCCN1 R6061 [0,0,0,0,0,0|2,0,0]=2 36 B8R1.2 BrCC1CCCCC1 B12603 [1,0,0,0,0,0|1,0,1]=3 37 B8R1.2 BrCC1CCNCC1 B18444 [1,0,0,0,0,0|2,0,1]=4 38 B8R1.2 BrCC1CCOCC1 B8153 [1,0,0,0,0,0|2,0,1]=4 39 B8R1.2 CCC1CCCCN1 E3360 [1,0,0,0,0,0|2,0,1]=4 40 B8R1.2 CNC1CCCCC1 M18798 [1,0,0,0,0,0|2,0,0]=3 41 B8R1.2 CNC1CCCNC1 M8469 [1,0,0,0,0,0|3,0,0]=4 42 B8R1.2 COC1CCCNC1 M14733 [1,0,0,0,0,0|3,0,0]=4 43 B8R1.2 ClCN1CCCCC1 C5727 [1,0,0,0,0,0|2,0,1]=4 44 B8R1.2 N#CC1CCCCN1 C18890 [1,0,0,0,0,0|2,0,1]=4 45 B8R1.2 N#CC1CCCNC1 P12459 [1,0,0,0,0,0|2,0,1]=4 46 B8R1.2 N#CC1CCNCC1 C3193 [1,0,0,0,0,0|2,0,1]=4 47 B8R1.2 NCC1CCCCN1 A4969 [1,0,0,0,0,0|2,0,1]=4 48 B8R1.2 NCC1CCCNC1 A18064 [1,0,0,0,0,0|2,0,1]=4 49 B8R1.2 NCC1CCCNC1 A1819 [1,0,0,0,0,0|2,0,1]=4 50 B8R1.2 NCC1CCNCC1 A10917 [1,0,0,0,0,0|2,0,1]=4 51 B8R1.2 NCC1CCOCC1 A18185 [1,0,0,0,0,0|2,0,1]=4 52 B8R1.2 O=NN1CCOCC1 N17202 [1,0,0,0,0,0|3,0,0]=4 53 B8R1.2 OCC1CCCCN1 P11278 [1,0,0,0,0,0|1,0,1]=3 54 B8R1.2 OCC1CCCNC1 P11620 [1,0,0,0,0,0|1,0,1]=3 55 B8R1.2 OCC1CCNCC1 P11277 [1,0,0,0,0,0|1,0,1]=3 56 B8R1.2 OCC1CNCCN1 H17068 [1,0,0,0,0,0|2,0,1]=4 57 B8R1.2 OCC1CNCCO1 H13089 [1,0,0,0,0,0|2,0,1]=4 58 B8R1.2 OC[C@H]1CNCCO1 H16873 [1,0,0,0,0,0|2,0,1]=4 59 B10R1.13 CN1CCC(C(=O)O)CC1 M5365 [0,1,0,0,0,0|1,0,0]=2 60 B10R1.13 CN1CCN(C(=O)Cl)CC1 M7555 [0,1,0,0,0,0|3,0,0]=4 61 B10R1.13 NC1CCC(C(=O)O)CC1 A15458 [0,1,0,0,0,0|0,0,0]=1 62 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 A18113 [0,1,0,0,0,0|0,0,0]=1 63 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 A18113 [0,1,0,0,0,0|0,0,0]=1 64 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 A18114 [0,1,0,0,0,0|0,0,0]=1 65 B10R1.13 O=C(O)C1CCC(O)CC1 H0233 [0,1,0,0,0,0|0,0,0]=1 66 B10R1.15 COC(=O)C1CCCCN1 M11624 [0,1,0,0,0,0|1,0,0]=2 67 B10R1.15 COC(=O)C1CCCNC1 P15955 [0,1,0,0,0,0|1,0,0]=2 68 B10R1.15 COC(=O)C1CCNCC1 M11619 [0,1,0,0,0,0|1,0,0]=2 69 B10R1.15 COC(=O)C1CCNCC1 M11619 [0,1,0,0,0,0|1,0,0]=2 70 B10R1.15 COC(=O)C1CNCCN1 P11655 [0,1,0,0,0,0|2,0,0]=3 71 B10R1.15 COC(=O)C1CNCCN1 P17147 [0,1,0,0,0,0|2,0,0]=3 72 B10R1.15 COC(=O)C1CNCCN1 P17147 [0,1,0,0,0,0|2,0,0]=3 73 B10R1.15 COC(=O)C1COCCN1 M13385 [0,1,0,0,0,0|2,0,0]=3 74 B10R1.15 COC(=O)[C@H]1CCCNC1 M10946 [0,1,0,0,0,0|1,0,0]=2 75 B10R1.15 COC(=O)[C@H]1CCCNC1 M18788 [0,1,0,0,0,0|1,0,0]=2 76 B10R1.15 COC(=O)[C@H]1CCCNC1 M18788 [0,1,0,0,0,0|1,0,0]=2 77 B10R1.15 COC(=O)[C@H]1COCCN1 M13391 [0,1,0,0,0,0|2,0,0]=3 78 B10R1.15 N=C(NO)N1CCOCC1 H13125 [0,1,0,0,0,0|3,0,0]=4 79 B10R1.15 NC(CO)C1CCOCC1 A15412 [0,1,0,0,0,0|2,0,1]=4 80 B10R1.15 N[C@@H](CO)C1CCCCC1 A15411 [0,1,0,0,0,0|1,0,1]=3 81 B10R1.15 N\C(=N\O)N1CCCCC1 H13831 [0,1,0,0,0,0|2,0,0]=3 82 B10R1.15 O=C(CBr)N1CCSCC1 B4458 [0,1,0,0,0,0|3,0,0]=4 83 B10R1.15 O=C(CCl)N1CCOCC1 C7604 [0,1,0,0,0,0|3,0,0]=4 84 B10R1.61 CC(=O)N1CCCCC1=O A17996 [0,1,0,0,0,0|2,0,1]=4 85 B10R1.61 CC1CNCCC1C(=O)O M12883 [0,1,0,0,0,0|1,0,0]=2 86 B10R1.61 CN1CCCCC1C(=N)N M16883 [0,1,0,0,0,0|3,0,0]=4 87 B10R1.61 CN1CCNCC1C(=O)O M19106 [0,1,0,0,0,0|2,0,0]=3 88 B10R1.61 CN1CCNCC1C(=O)O M19106 [0,1,0,0,0,0|2,0,0]=3 89 B10R1.61 NC1CCCCC1C(=O)O A12769 [0,1,0,0,0,0|0,0,0]=1 90 B10R1.113 CC1CCCC(C(=O)O)N1 M7284 [0,1,0,0,0,0|1,0,0]=2 91 B10R1.113 CN1CCCC(C(=N)N)C1 M16882 [0,1,0,0,0,0|3,0,0]=4 92 B10R1.113 O=C(O)C1CNCC(O)C1 H13087 [0,1,0,0,0,0|1,0,0]=2 93 B10R1.113 O=C1CCCC(C(=O)O)N1 O14392 [0,1,0,0,0,0|1,0,1]=3 94 B10R1.363 CC1(C(=O)O)CCCCN1 M12952 [0,1,0,0,0,0|1,0,0]=2 95 B10R1.363 N=C(N)C1(O)CCCCC1 H13782 [0,1,0,0,0,0|2,0,0]=3 96 B10R1.363 NC1(C(=O)O)CCNCC1 A13432 [0,1,0,0,0,0|1,0,0]=2 97 B10R1.363 NC1(C(=O)O)CCNCC1 A18167 [0,1,0,0,0,0|1,0,0]=2 98 B10R1.363 NC1(C(=O)O)CCOCC1 A15423 [0,1,0,0,0,0|1,0,0]=2 99 B10R1.363 NC1(C(=O)O)CCSCC1 A15988 [0,1,0,0,0,0|1,0,0]=2 100 B10R1.363 O=C(O)C1(O)CCCCC1 H14842 [0,1,0,0,0,0|0,0,0]=1 101 B10R1.363 O=C(O)C1(O)CCCCC1 H14842 [0,1,0,0,0,0|0,0,0]=1 102 B8R0.7 CCCCCCC(=N)N H13000 [0,0,1,0,0,0|2,0,0]=3 103 B8R0.7 CCCCCC[C@H](C)O O2182 [0,0,1,0,0,0|1,0,1]=3 104 B8R0.8 CCCCC(C)C(=O)Cl M12954 [0,0,1,0,0,0|1,0,0]=2 105 B8R0.8 CSCC[C@@H](N)C(=O)O M6093 [0,0,1,0,0,0|2,0,0]=3 106 B8R0.8 NCCC[C@@H](N)C(=O)O O11124 [0,0,1,0,0,0|2,0,0]=3 107 B8R0.8 NCCC[C@H](N)C(=O)O O12400 [0,0,1,0,0,0|2,0,0]=3 108 B8R0.8 NCCC[C@H](N)C(=O)O O12400 [0,0,1,0,0,0|2,0,0]=3 109 B8R0.8 NCCC[C@H](N)C(=O)O O2148 [0,0,1,0,0,0|2,0,0]=3 110 B8R0.8 [C@@H](N)(CCSC)C(=O)O M1841 [0,0,1,0,0,0|2,0,0]=3 111 B10R2.62 C12CCN(CC1)CC2=O Q5369 [0,0,0,1,0,0|2,0,0]=3 112 B10R2.62 C12CCN(CC1)C[C@@H]2O Q6677 [0,0,0,1,0,0|2,0,1]=4 113 B10R2.62 OC1CN2CCC1CC2 Q3654 [0,0,0,1,0,0|2,0,1]=4 114 B8R1.7 N=C(N)C1CCCC1 C13017 [0,0,0,0,1,0|2,0,0]=3 115 B8R1.7 N=C(N)N1CCCC1 P13915 [0,0,0,0,1,0|3,0,0]=4 116 B8R1.7 NC(=O)[C@@H]1CCCN1 P2995 [0,0,0,0,1,0|2,0,0]=3 117 B8R1.7 O=C(O)C1CC=CC1 C3045 [0,0,0,0,1,0|0,0,2]=3 118 B8R1.7 O=C(O)C1CCCN1 P6294 [0,0,0,0,1,0|1,0,0]=2 119 B8R1.7 O=C(O)C1CCNC1 P12835 [0,0,0,0,1,0|1,0,0]=2 120 B8R1.7 O=C(O)C1CCOC1 T15197 [0,0,0,0,1,0|1,0,0]=2 121 B8R1.7 O=C(O)[C@@H]1CCCO1 T3062 [0,0,0,0,1,0|1,0,0]=2 122 B8R1.7 O=C(O)[C@@H]1CSCN1 T17736 [0,0,0,0,1,0|2,0,0]=3 123 B8R1.7 O=C(O)[C@H]1CCCN1 P0396 [0,0,0,0,1,0|1,0,0]=2 124 B8R1.7 O=C(O)[C@H]1CCCN1 P0396 [0,0,0,0,1,0|1,0,0]=2 125 B8R1.7 O=C(O)[C@H]1CCCO1 T6625 [0,0,0,0,1,0|1,0,0]=2 126 B8R1.7 O=C(O)[C@H]1CCCO1 T6625 [0,0,0,0,1,0|1,0,0]=2 127 B10R1.18 CC(=O)NC1CCCNC1 P12456 [0,0,0,0,0,1|2,0,0]=3 128 B10R1.18 CC(=O)NC1CCNCC1 P12451 [0,0,0,0,0,1|2,0,0]=3 129 B10R1.18 CC(=O)OC1CCNCC1 A15520 [0,0,0,0,0,1|2,0,0]=3 130 B10R1.18 N=C(N)CC1CCCCC1 C16843 [0,0,0,0,0,1|2,0,0]=3 131 B10R1.18 O=C(O)CC1CCCCN1 P14979 [0,0,0,0,0,1|1,0,0]=2 132 B10R1.18 O=C(O)CC1CCCNC1 P15959 [0,0,0,0,0,1|1,0,0]=2 133 B10R1.18 O=C(O)CC1CCNCC1 P4467 [0,0,0,0,0,1|1,0,0]=2 134 B10R1.18 O=C(O)CC1CNCCO1 M13320 [0,0,0,0,0,1|2,0,0]=3 135 B10R1.18 O=C(O)CN1CCNCC1 P16652 [0,0,0,0,0,1|2,0,0]=3 136 B10R1.348 N=C(N)C1CCCCCC1 C13745 [0,0,0,0,0,1|2,0,0]=3 137 B7R0.4 CC(=O)CCCCCl C18888 [1,0,1,0,0,0|2,0,0]=4 138 B7R0.4 CCCCCC(=N)N H14019 [1,0,1,0,0,0|2,0,0]=4 139 B7R0.4 O=C(Cl)CCCCBr B9001 [1,0,1,0,0,0|2,0,0]=4 140 B7R0.5 CCCC(N)C(=O)O N4933 [1,0,1,0,0,0|1,0,0]=3 141 B7R0.5 CCC[C@@H](N)C(=O)O N11127 [1,0,1,0,0,0|1,0,0]=3 142 B7R0.5 CCC[C@H](N)C(=O)O N11126 [1,0,1,0,0,0|1,0,0]=3 143 B7R0.5 CCC[C@H](N)C(=O)O N11126 [1,0,1,0,0,0|1,0,0]=3 144 B7R0.5 NCCC(N)C(=O)O D14772 [1,0,1,0,0,0|2,0,0]=4 145 B7R0.5 NCCC(O)C(=O)O H6206 [1,0,1,0,0,0|2,0,0]=4 146 B7R0.5 NCCC(O)C(=O)O H6206 [1,0,1,0,0,0|2,0,0]=4 147 B7R0.5 NCC[C@H](O)C(=O)O A7207 [1,0,1,0,0,0|2,0,0]=4 148 B7R0.5 N[C@@H](CCO)C(=O)O H5147 [1,0,1,0,0,0|2,0,0]=4 149 B7R0.5 N[C@H](CCO)C(=O)O A6105 [1,0,1,0,0,0|2,0,0]=4 150 B7R0.5 N[C@H](CCO)C(=O)O A6105 [1,0,1,0,0,0|2,0,0]=4 151 B7R0.5 [NH3+]C(CCBr)C(=O)O A12763 [1,0,1,0,0,0|2,0,0]=4 152 B7R1.3 BrC1CCCCN1 B7610 [2,0,0,0,0,0|2,0,0]=4 153 B7R1.3 BrC1CCCNC1 B7611 [2,0,0,0,0,0|2,0,0]=4 154 B7R1.3 CC1CCCCN1 M6451 [2,0,0,0,0,0|1,0,1]=4 155 B7R1.3 CC1CCCNC1 P3032 [2,0,0,0,0,0|1,0,1]=4 156 B7R1.3 CC1CCNCC1 M11273 [2,0,0,0,0,0|1,0,1]=4 157 B7R1.3 CN1CCCCC1 M3042 [2,0,0,0,0,0|1,0,1]=4 158 B7R1.3 C[C@H]1CCCCN1 M3041 [2,0,0,0,0,0|1,0,1]=4 159 B7R1.3 ClC1CCNCC1 C7399 [2,0,0,0,0,0|2,0,0]=4 160 B7R1.3 FC1CCNCC1 F12346 [2,0,0,0,0,0|2,0,0]=4 161 B7R1.3 NC1CCCNC1 A11018 [2,0,0,0,0,0|2,0,0]=4 162 B7R1.3 NC1CCCNC1 P19410 [2,0,0,0,0,0|2,0,0]=4 163 B7R1.3 NC1CCCNC1 P7273 [2,0,0,0,0,0|2,0,0]=4 164 B7R1.3 NC1CCNCC1 A2317 [2,0,0,0,0,0|2,0,0]=4 165 B7R1.3 NC1CCNCC1 A8187 [2,0,0,0,0,0|2,0,0]=4 166 B7R1.3 NC1CCOCC1 A16695 [2,0,0,0,0,0|2,0,0]=4 167 B7R1.3 NC1CCOCC1 T11516 [2,0,0,0,0,0|2,0,0]=4 168 B7R1.3 NN1CCCCC1 A3686 [2,0,0,0,0,0|2,0,0]=4 169 B7R1.3 N[C@@H]1CCCNC1 A3658 [2,0,0,0,0,0|2,0,0]=4 170 B7R1.3 N[C@H]1CCCNC1 A11799 [2,0,0,0,0,0|2,0,0]=4 171 B7R1.3 O=C1CCNCC1 P3649 [2,0,0,0,0,0|1,0,1]=4 172 B7R1.3 O=C1CCNCC1 P7276 [2,0,0,0,0,0|1,0,1]=4 173 B7R1.3 O=C1CCOCC1 T11055 [2,0,0,0,0,0|1,0,1]=4 174 B7R1.3 OC1CCCNC1 H6045 [2,0,0,0,0,0|1,0,0]=3 175 B7R1.3 OC1CCCNC1 P11038 [2,0,0,0,0,0|1,0,0]=3 176 B7R1.3 OC1CCNCC1 H0402 [2,0,0,0,0,0|1,0,0]=3 177 B7R1.3 OC1CCNCC1 H0402 [2,0,0,0,0,0|1,0,0]=3 178 B7R1.3 OC1CCNCC1 H5175 [2,0,0,0,0,0|1,0,0]=3 179 B7R1.3 O[C@@H]1CCCNC1 R6046 [2,0,0,0,0,0|1,0,0]=3 180 B7R1.3 O[C@@H]1CCCNC1 R6046 [2,0,0,0,0,0|1,0,0]=3 181 B7R1.3 O[C@H]1CCCNC1 P3031 [2,0,0,0,0,0|1,0,0]=3 182 B9R0.2 CCCCCCCC(=N)N O13890 [0,1,1,0,0,0|2,0,0]=4 183 B9R0.46 CCCCCC\C(N)=N\O H12999 [0,1,1,0,0,0|1,0,0]=3 184 B9R0.47 NCCCCC(N)C(=O)O L0399 [0,1,1,0,0,0|1,0,0]=3 185 B9R0.47 NCCCC[C@@H](N)C(=O)O H8309 [0,1,1,0,0,0|1,0,0]=3 186 B9R0.47 NCCCC[C@H](N)C(=O)O L1919 [0,1,1,0,0,0|1,0,0]=3 187 B9R0.47 NCCCC[C@H](N)C(=O)O L1919 [0,1,1,0,0,0|1,0,0]=3 188 B9R0.47 NCCCC[C@H](N)C(=O)O L6200 [0,1,1,0,0,0|1,0,0]=3 189 B9R0.47 NCCCC[C@H](N)C(=O)O L6279 [0,1,1,0,0,0|1,0,0]=3 190 B9R0.47 NCCCC[C@H](N)C(=O)O L6356 [0,1,1,0,0,0|1,0,0]=3 191 B9R0.47 N[C@@H](CSCCO)C(=O)O H7677 [0,1,1,0,0,0|2,0,0]=4 192 B9R0.47 N[C@H](CSCCO)C(=O)O A7678 [0,1,1,0,0,0|2,0,0]=4 193 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O M6292 [0,1,1,0,0,0|2,0,0]=4 194 B9R0.8 COC(=O)[C@@H](N)CCSC M5535 [0,1,1,0,0,0|2,0,0]=4 195 B9R0.13 CCCCC(CC)C(=O)[O-] S7723 [0,1,1,0,0,0|0,0,1]=3 196 B9R0.15 CCCC(CCC)C(=O)O V1560 [0,1,1,0,0,0|0,0,0]=2 197 B9R0.15 CCCC(CCC)C(=O)O V1560 [0,1,1,0,0,0|0,0,0]=2 198 B9R0.15 CCCC(CCC)C(=O)[O-] D2291 [0,1,1,0,0,0|0,0,1]=3 199 B9R0.15 CCCC(CCC)C(=O)[O-] D2291 [0,1,1,0,0,0|0,0,1]=3 200 B9R0.15 CCCC(CCC)C(=O)[O-] V12638 [0,1,1,0,0,0|0,0,1]=3 201 B9R1.1 CN1CCC(CO)CC1 M7329 [1,1,0,0,0,0|1,0,1]=4 202 B9R1.2 CN1CCCC(CO)C1 H5357 [1,1,0,0,0,0|1,0,1]=4 203 B9R1.2 O=CC1CCNC(Br)C1 B8667 [1,1,0,0,0,0|1,0,0]=3 204 B9R1.8 O=C=NC1CCCCC1 C18906 [1,1,0,0,0,0|0,0,1]=3 205 B9R1.8 OCCC1CCCCN1 P6153 [1,1,0,0,0,0|1,0,1]=4 206 B9R1.15 OCC1CNCCC1O H17376 [1,1,0,0,0,0|1,0,1]=4 207 B9R1.118 C#CC1(C)CCCCC1 E19301 [1,1,0,0,0,0|1,0,1]=4 208 B9R1.118 CC1(CBr)CCCCC1 B16961 [1,1,0,0,0,0|1,0,1]=4 209 B9R1.118 CC1(CCl)CCCCC1 C17007 [1,1,0,0,0,0|1,0,1]=4 210 B9R1.118 CC1(CN)CCCCC1 A15223 [1,1,0,0,0,0|1,0,1]=4 211 B9R1.118 CC1(CO)CCCCC1 H12662 [1,1,0,0,0,0|0,0,1]=3 212 B9R1.118 NC1(CO)CCCCC1 A18987 [1,1,0,0,0,0|0,0,1]=3 213 B9R1.118 NC1(CO)CCOCC1 A15413 [1,1,0,0,0,0|1,0,1]=4 214 B9R1.118 NCC1(O)CCCCC1 A18986 [1,1,0,0,0,0|1,0,1]=4 215 B9R1.11 COC(=O)C1CC=CC1 M13309 [0,1,0,0,1,0|0,0,2]=4 216 B9R1.11 COC(=O)[C@@H]1CCCN1 P7690 [0,1,0,0,1,0|1,0,0]=3 217 B9R1.11 COC(=O)[C@H]1CCCN1 P7691 [0,1,0,0,1,0|1,0,0]=3 218 B9R1.11 N\C(=N/O)C1CCCC1 H13016 [0,1,0,0,1,0|1,0,0]=3 219 B9R1.11 N\C(=N\O)N1CCCC1 H13830 [0,1,0,0,1,0|2,0,0]=4 220 B9R1.35 CC1CNC(C(=O)O)C1 M7325 [0,1,0,0,1,0|1,0,0]=3 221 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 H2190 [0,1,0,0,1,0|1,0,0]=3 222 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 H2190 [0,1,0,0,1,0|1,0,0]=3 223 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 H12478 [0,1,0,0,1,0|1,0,0]=3 224 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 H12478 [0,1,0,0,1,0|1,0,0]=3 225 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 H7112 [0,1,0,0,1,0|1,0,0]=3 226 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 A2497 [0,1,0,0,1,0|1,0,0]=3 227 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 A2497 [0,1,0,0,1,0|1,0,0]=3 228 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 H7114 [0,1,0,0,1,0|1,0,0]=3 229 B9R1.35 O=C1CCC(C(=O)O)N1 P19419 [0,1,0,0,1,0|1,0,1]=4 230 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 P2914 [0,1,0,0,1,0|1,0,1]=4 231 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 P2914 [0,1,0,0,1,0|1,0,1]=4 232 B9R1.41 CC1CNCC1C(=O)O M13281 [0,1,0,0,1,0|1,0,0]=3 233 B9R1.41 NC1CCCC1C(=O)O A14514 [0,1,0,0,1,0|0,0,0]=2 234 B9R1.41 NC1CNCC1C(=O)O A13448 [0,1,0,0,1,0|1,0,0]=3 235 B9R1.41 N[C@@H]1CCC[C@@H]1C(=O)O A3768 [0,1,0,0,1,0|0,0,0]=2 236 B9R1.163 C[C@]1(C(=O)O)CCCN1 M16392 [0,1,0,0,1,0|1,0,0]=3 237 B9R1.163 NC(=O)C1(N)CCCC1 A3466 [0,1,0,0,1,0|1,0,0]=3 238 B9R1.163 NC1(C(=O)O)CCCC1 A12495 [0,1,0,0,1,0|0,0,0]=2 239 B9R1.163 NC1(C(=O)O)CCNC1 A14575 [0,1,0,0,1,0|1,0,0]=3 240 B11R1.20 CC(=O)NC1CCC(=O)CC1 A11713 [0,1,0,0,0,1|1,0,1]=4 241 B11R1.20 CN1CCC(CC(=O)O)CC1 M16322 [0,1,0,0,0,1|1,0,0]=3 242 B11R1.36 NC(C(=O)O)C1CC=CCC1 A14118 [0,1,0,0,0,1|0,0,2]=4 243 B11R1.36 NC(C(=O)O)C1CCOCC1 T13060 [0,1,0,0,0,1|1,0,0]=3 244 B11R1.36 N[C@H](C(=O)O)C1CCCCC1 A12812 [0,1,0,0,0,1|0,0,0]=2 245 B11R1.36 N[C@H](C(=O)O)C1CCNCC1 A2328 [0,1,0,0,0,1|1,0,0]=3 246 B11R1.36 O=C(O)C(=O)N1CCNCC1 P7460 [0,1,0,0,0,1|2,0,0]=4 247 B11R1.40 COC(=O)CC1CCNCC1 P12406 [0,1,0,0,0,1|1,0,0]=3 248 B11R1.40 COC(=O)CC1CCNCC1 P12406 [0,1,0,0,0,1|1,0,0]=3 249 B11R1.40 COC(=O)CC1CNCCN1 M14073 [0,1,0,0,0,1|2,0,0]=4 250 B11R1.40 N[C@H](CO)CC1CCCCC1 A15443 [0,1,0,0,0,1|1,0,1]=4 251 B11R1.86 CC1CNCCC1CC(=O)O M4469 [0,1,0,0,0,1|1,0,0]=3 252 B11R1.928 NC1(CC(=O)O)CCCCC1 A14529 [0,1,0,0,0,1|0,0,0]=2 253 B11R1.143 NC1CCCCCC1C(=O)O A12931 [0,1,0,0,0,1|0,0,0]=2 254 B11R1.737 NC1(C(=O)O)CCCCCC1 A12845 [0,1,0,0,0,1|0,0,0]=2 255 B11R1.737 O=C(O)C1(O)CCCCCC1 H17065 [0,1,0,0,0,1|0,0,0]=2 256 B11R1.3 NC[C@H]1CC[C@H](C(=O)O)CC1 T5811 [0,2,0,0,0,0|0,0,0]=2 257 B11R1.3 O=CN1CCC(C(=O)O)CC1 F15222 [0,2,0,0,0,0|1,0,0]=3 258 B11R1.22 COC(=O)C1CCC(O)CC1 M13165 [0,2,0,0,0,0|0,0,0]=2 259 B11R1.16 CCOC(=O)C1CCCCN1 E0393 [0,2,0,0,0,0|1,0,0]=3 260 B11R1.16 CCOC(=O)C1CCCNC1 E4133 [0,2,0,0,0,0|1,0,0]=3 261 B11R1.16 CCOC(=O)C1CCNCC1 A3950 [0,2,0,0,0,0|1,0,0]=3 262 B11R1.16 CCOC(=O)C1SCCCS1 E8704 [0,2,0,0,0,0|2,0,0]=4 263 B11R1.16 CCOC(=O)N1CCNCC1 E7464 [0,2,0,0,0,0|2,0,0]=4 264 B11R1.16 CCOC(=O)[C@@H]1CCCNC1 E11622 [0,2,0,0,0,0|1,0,0]=3 265 B11R1.16 CCOC(=O)[C@@H]1CCCNC1 E17989 [0,2,0,0,0,0|1,0,0]=3 266 B11R1.16 CCOC(=O)[C@@H]1CCCNC1 E4639 [0,2,0,0,0,0|1,0,0]=3 267 B11R1.16 CCOC(=O)[C@H]1CCCNC1 E11623 [0,2,0,0,0,0|1,0,0]=3 268 B11R1.16 CCOC(=O)[C@H]1CCCNC1 E11623 [0,2,0,0,0,0|1,0,0]=3 269 B11R1.16 CCOC(=O)[C@H]1CCCNC1 S6053 [0,2,0,0,0,0|1,0,0]=3 270 B11R1.16 NC(CCO)C1CCCCC1 A14596 [0,2,0,0,0,0|1,0,1]=4 271 B11R1.222 COC(=O)C1CNCCC1=O O15904 [0,2,0,0,0,0|1,0,1]=4 272 B11R1.878 COC(=O)C1(N)CCOCC1 A16217 [0,2,0,0,0,0|1,0,0]=3 273 B11R1.878 COC(=O)C1(N)CCSCC1 A16120 [0,2,0,0,0,0|1,0,0]=3 274 B11R1.878 N\C(=N\O)C1(O)CCCCC1 D13762 [0,2,0,0,0,0|1,0,0]=3 275 B11R1.667 CC1CCCC(N)(C(=O)O)C1 A13355 [0,2,0,0,0,0|0,0,0]=2 276 B9R1.13 O=C(O)CC1CCCN1 P4464 [0,0,1,1,0,0|1,0,0]=3 277 B9R1.13 O=C(O)C[C@@H]1CCCN1 H17104 [0,0,1,1,0,0|1,0,0]=3 278 B9R1.13 O=C(O)C[C@H]1CCNC1 P14085 [0,0,1,1,0,0|1,0,0]=3 279 B9R1.5 N[C@H]1CCCCNC1=O A0101 [0,0,1,1,0,0|2,0,0]=4 280 B9R1.112 N[C@@H](CC1CC1)C(=O)O L11123 [0,0,1,1,0,0|1,0,0]=3 281 B9R2.7 O=C1NC2CCCC12 A12948 [0,0,0,1,1,0|1,0,0]=3 282 B7R1.1 BrCC1CCCC1 B18461 [1,0,0,0,1,0|1,0,1]=4 283 B7R1.1 OC[C@@H]1CCCN1 P2200 [1,0,0,0,1,0|1,0,1]=4 284 B7R1.1 OC[C@H]1CCCN1 P6137 [1,0,0,0,1,0|1,0,1]=4 285 B7R1.1 OC[C@H]1CCCN1 P6137 [1,0,0,0,1,0|1,0,1]=4 286 B7R1.18 N=C(N)C1CCC1 C13015 [0,0,0,0,2,0|2,0,0]=4 287 B7R1.18 O=C(O)C1CCN1 A19377 [0,0,0,0,2,0|1,0,0]=3 288 B7R1.18 O=C(O)C1CNC1 A18761 [0,0,0,0,2,0|1,0,0]=3 289 B7R1.18 O=C(O)C1CNC1 A3585 [0,0,0,0,2,0|1,0,0]=3 290 B7R1.18 O=C(O)C1CNC1 A3585 [0,0,0,0,2,0|1,0,0]=3 291 B7R1.18 O=C(O)[C@@H]1CCN1 A17680 [0,0,0,0,2,0|1,0,0]=3 292 B7R1.18 O=C(O)[C@@H]1CCN1 A5102 [0,0,0,0,2,0|1,0,0]=3 293 B7R1.18 O=C(O)[C@@H]1CCN1 A5102 [0,0,0,0,2,0|1,0,0]=3 294 B7R1.18 O=C(O)[C@H]1CCN1 A7252 [0,0,0,0,2,0|1,0,0]=3 295 B9R1.89 O\N=C1/CCCNCC1 A14415 [1,0,0,0,0,1|1,0,1]=4 296 B11R1.91 CC(=O)NCC1CCNCC1 P12461 [0,0,0,0,0,2|2,0,0]=4 297 B11R1.91 N1CCC(CCC(=O)O)CC1 P11831 [0,0,0,0,0,2|1,0,0]=3 298 B11R1.91 O=C(O)CCC1CCCCN1 P14397 [0,0,0,0,0,2|1,0,0]=3 299 B11R1.91 O=C(O)CCC1CCC[NH2+]C1 P12684 [0,0,0,0,0,2|1,0,0]=3 300 B11R1.91 O=C(O)CCN1CCCCC1 P17611 [0,0,0,0,0,2|1,0,0]=3 301 B11R1.91 O=C(O)CCN1CCNCC1 P16653 [0,0,0,0,0,2|2,0,0]=4