0 B9R1.35 C1C(C=CC1N)C(=O)O PI-17016 [0,0,0,0,0,0|2,0,1]=3 1 B9R1.35 C1C(CNC1C(=O)O)F PI-34564 [0,0,0,0,0,0|1,0,0]=1 2 B9R1.35 C1C(CNC1C(=O)O)F PI-34565 [0,0,0,0,0,0|1,0,0]=1 3 B9R1.35 C1C(CNC1C(=O)O)F PI-34566 [0,0,0,0,0,0|1,0,0]=1 4 B9R1.35 C1C(CNC1C(=O)O)O PI-14276 [0,0,0,0,0,0|0,0,0]=0 5 B9R1.35 C1C(CNC1C(=O)O)O PI-15465 [0,0,0,0,0,0|0,0,0]=0 6 B9R1.35 C1CC(=O)NC1C(=O)O PI-10056 [0,0,0,0,0,0|2,0,2]=4 7 B9R1.35 C1CC(CC1C(=O)O)N PI-17015 [0,0,0,0,0,0|2,0,0]=2 8 B9R1.35 C1[C@H](CN[C@@H]1C(=O)N)O PI-48950 [0,0,0,0,0,0|1,0,0]=1 9 B9R1.35 C1[C@H](CN[C@H]1C(=O)O)F PI-48932 [0,0,0,0,0,0|1,0,0]=1 10 B9R1.35 C1[C@H](CN[C@H]1C(=O)O)O PI-48947 [0,0,0,0,0,0|0,0,0]=0 11 B9R1.35 CC(=O)N1CC[C@@H](C1)N PI-40973 [0,0,0,0,0,0|4,0,0]=4 12 B9R1.35 CC(=O)N1CC[C@H](C1)N PI-40974 [0,0,0,0,0,0|4,0,0]=4 13 B9R1.35 O=C1CCC(C1)C(=O)O PI-34867 [0,0,0,0,0,0|1,0,2]=3 14 B9R1.35 O=C1CC[C@H](N1)C(=O)O PI-33313 [0,0,0,0,0,0|2,0,2]=4 15 B9R1.35 O=C1CC[C@H](O1)C(=O)O PI-39065 [0,0,0,0,0,0|2,0,2]=4 16 B9R1.35 O=C1CNC(C1)C(=O)O PI-36300 [0,0,0,0,0,0|0,0,2]=2 17 B9R1.35 O=[C@@](O)[C@@H]1NC[C@@H](O)C1 PI-37073 [0,0,0,0,0,0|0,0,0]=0 18 B9R1.35 O[C@@H]1CN[C@@H](C1)C(=O)O PI-15464 [0,0,0,0,0,0|0,0,0]=0 19 B9R1.35 O[C@@H]1CN[C@H](C1)C(=O)O PI-15466 [0,0,0,0,0,0|0,0,0]=0 20 B8R1.1 C1C(CNC1CO)F PI-41993 [1,0,0,0,0,0|1,0,1]=3 21 B8R1.1 C1[C@@H](CN[C@@H]1C#N)F PI-48971 [1,0,0,0,0,0|2,0,1]=4 22 B8R1.1 C1[C@H](CN[C@@H]1C#N)F PI-48934 [1,0,0,0,0,0|2,0,1]=4 23 B8R1.1 C1[C@H](CN[C@@H]1CO)O PI-48269 [1,0,0,0,0,0|0,0,1]=2 24 B8R1.7 C1C(NCS1)C(=O)O PI-12069 [1,0,0,0,0,0|1,0,0]=2 25 B8R1.7 C1C=CCC1C(=O)O PI-33725 [1,0,0,0,0,0|1,0,2]=4 26 B8R1.7 C1CC(NC1)C(=O)O PI-44957 [1,0,0,0,0,0|0,0,0]=1 27 B8R1.7 C1CC(OC1)C(=O)O PI-31322 [1,0,0,0,0,0|1,0,0]=2 28 B8R1.7 C1CC(OC1)C(=O)O PI-31323 [1,0,0,0,0,0|1,0,0]=2 29 B8R1.7 C1CC=C(C1)C(=O)O PI-30173 [1,0,0,0,0,0|1,0,1]=3 30 B8R1.7 C1CNCC1C(=O)O PI-25815 [1,0,0,0,0,0|2,0,0]=3 31 B8R1.7 C1COC=C1C(=O)O PI-48370 [1,0,0,0,0,0|2,0,1]=4 32 B8R1.7 C1COCC1C(=O)O PI-42680 [1,0,0,0,0,0|2,0,0]=3 33 B8R1.7 CC(=O)C1CCCC1 PI-38161 [1,0,0,0,0,0|2,0,0]=3 34 B8R1.7 CC(=O)C1CCOC1 PI-42706 [1,0,0,0,0,0|3,0,0]=4 35 B8R1.7 ClC(=O)C1CCCC1 PI-39144 [1,0,0,0,0,0|2,0,0]=3 36 B8R1.7 NC(=O)[C@@H]1CCCN1 PI-10274 [1,0,0,0,0,0|1,0,0]=2 37 B8R1.7 NC(=O)[C@@H]1CCCN1 PI-16579 [1,0,0,0,0,0|1,0,0]=2 38 B8R1.7 NC(=O)[C@H]1CCCN1 PI-16293 [1,0,0,0,0,0|1,0,0]=2 39 B8R1.7 OB(O)C1CCCC1 PI-20922 [1,0,0,0,0,0|2,0,1]=4 40 B8R1.7 OC(=O)C1CCCC1 PI-39143 [1,0,0,0,0,0|1,0,0]=2 41 B8R1.7 OC(=O)C1CCCO1 PI-33719 [1,0,0,0,0,0|1,0,0]=2 42 B8R1.7 OC(=O)C1CNCC1 PI-36920 [1,0,0,0,0,0|2,0,0]=3 43 B8R1.7 OC(=O)[C@H]1CCCN1 PI-31157 [1,0,0,0,0,0|0,0,0]=1 44 B8R1.7 OC(=O)[C@H]1NCC=C1 PI-38250 [1,0,0,0,0,0|0,0,2]=3 45 B10R1.14 COC(=O)C1CC(CN1)O PI-14274 [0,1,0,0,0,0|0,0,0]=1 46 B10R1.14 COC(=O)C1CCC(=O)C1 PI-42489 [0,1,0,0,0,0|1,0,2]=4 47 B10R1.14 COC(=O)[C@H]1C[C@@H](CN1)O PI-39281 [0,1,0,0,0,0|0,0,0]=1 48 B10R1.14 O=[C@@](OC)[C@@H]1NC[C@@H](F)C1 PI-36946 [0,1,0,0,0,0|1,0,0]=2 49 B10R1.14 O=[C@@](OC)[C@@H]1NC[C@H](F)C1 PI-36789 [0,1,0,0,0,0|1,0,0]=2 50 B10R1.359 C1CC(CC1C(=O)O)(F)F PI-44549 [0,1,0,0,0,0|2,0,0]=3 51 B8R0.8 C(CC(C(=O)O)N)CN PI-15758 [0,0,1,0,0,0|3,0,0]=4 52 B8R0.8 C(CC(C(=O)O)N)CN PI-42140 [0,0,1,0,0,0|3,0,0]=4 53 B8R0.8 CCCCC(C(=O)O)Br PI-44233 [0,0,1,0,0,0|3,0,0]=4 54 B8R0.8 N[C@H](C(=O)O)CCCN PI-31147 [0,0,1,0,0,0|3,0,0]=4 55 B8R0.9 CCC(C)CCC(O)=O PI-37097 [0,0,1,0,0,0|2,0,0]=3 56 B8R0.9 NCC(=O)CCC(=O)O PI-10027 [0,0,1,0,0,0|0,0,2]=3 57 B8R0.9 NCC(=O)NCC(=O)O PI-10062 [0,0,1,0,0,0|1,0,2]=4 58 B8R0.15 CCCC(C(=O)O)NC PI-43602 [0,0,1,0,0,0|1,0,0]=2 59 B8R0.15 CCCC(C(=O)O)NC PI-43851 [0,0,1,0,0,0|1,0,0]=2 60 B8R0.15 CCCC(CC)C(=O)O PI-50173 [0,0,1,0,0,0|2,0,0]=3 61 B8R0.23 C(C(C(=O)O)Cl)C(=O)O PI-28489 [0,0,1,0,0,0|2,0,1]=4 62 B8R0.23 C(C(C(=O)O)Cl)C(=O)O PI-28518 [0,0,1,0,0,0|2,0,1]=4 63 B8R0.23 CC(C)CC(=O)C(=O)O PI-14719 [0,0,1,0,0,0|2,0,1]=4 64 B8R0.23 CC(C)CC(Br)C(O)=O PI-40045 [0,0,1,0,0,0|2,0,0]=3 65 B8R0.23 CC(C)CC(C(=O)O)N PI-14720 [0,0,1,0,0,0|1,0,0]=2 66 B8R0.23 CC(C)CC(C(=O)O)O PI-45798 [0,0,1,0,0,0|2,0,0]=3 67 B8R0.23 CC(C)CC(N)C(=O)O PI-25447 [0,0,1,0,0,0|1,0,0]=2 68 B8R0.23 CN(C)CC(C(=O)O)N PI-14917 [0,0,1,0,0,0|2,0,0]=3 69 B8R0.23 C[C@@H](CC(=O)O)C(=O)O PI-48298 [0,0,1,0,0,0|2,0,1]=4 70 B8R0.23 N[C@H](C(=O)O)CC(C)C PI-15734 [0,0,1,0,0,0|1,0,0]=2 71 B8R0.23 O=C(O)[C@H](N)CC(O)=O PI-13091 [0,0,1,0,0,0|1,0,1]=3 72 B8R0.23 OC(=O)CC(C(=O)O)C PI-25606 [0,0,1,0,0,0|2,0,1]=4 73 B8R0.23 [C@H](N)(CS(C)=O)C(O)=O PI-42226 [0,0,1,0,0,0|1,0,1]=3 74 B8R0.28 CC(C)CCCC(=O)C PI-47229 [0,0,1,0,0,0|3,0,0]=4 75 B8R0.28 CN(C)CCCC(=O)O PI-29854 [0,0,1,0,0,0|3,0,0]=4 76 B10R2.357 C1C2C1NC(C2)C(=O)N PI-42305 [0,0,0,1,0,0|2,0,0]=3 77 B10R2.357 NC(=O)[C@@H]1C[C@@H]2[C@H](N1)C2 PI-37483 [0,0,0,1,0,0|2,0,0]=3 78 B10R2.357 NC(=O)[C@@H]1C[C@H]2[C@@H](N1)C2 PI-37485 [0,0,0,1,0,0|2,0,0]=3 79 B10R2.357 O=C([C@H]1N[C@H]2C[C@H]2C1)N PI-42306 [0,0,0,1,0,0|2,0,0]=3 80 B8R1.23 N[C@@H]1C[C@H](C1)C(=O)O PI-39343 [0,0,0,0,1,0|1,0,0]=2 81 B8R1.23 O=C([C@H]1C[C@@H](O)C1)O PI-41738 [0,0,0,0,1,0|0,0,0]=1 82 B8R1.23 O=C1CC(C1)C(=O)O PI-38282 [0,0,0,0,1,0|0,0,2]=3 83 B10R1.13 C1CC(CCC1C(=O)O)O PI-41501 [0,0,0,0,0,1|1,0,0]=2 84 B10R1.13 CC(=O)N1CCC(CC1)O PI-43312 [0,0,0,0,0,1|3,0,0]=4 85 B10R1.13 CN1CCC(CC1)C(=O)O PI-24582 [0,0,0,0,0,1|3,0,0]=4 86 B10R1.13 NC1CCC(CC1)C(=O)O PI-17553 [0,0,0,0,0,1|2,0,0]=3 87 B10R1.13 NC1CCC(CC1)C(=O)O PI-36878 [0,0,0,0,0,1|2,0,0]=3 88 B10R1.113 C1CC(CC(C1)N)C(=O)O PI-30392 [0,0,0,0,0,1|2,0,0]=3 89 B10R1.113 CN1CCCC(C1)C(=O)O PI-24210 [0,0,0,0,0,1|3,0,0]=4 90 B10R1.113 C[C@@H]1CCN[C@H](C1)C(=O)O PI-42596 [0,0,0,0,0,1|1,0,0]=2 91 B10R1.113 OC1CNCC(C1)C(=O)O PI-36256 [0,0,0,0,0,1|0,0,0]=1 92 B7R0.4 BrCCCCC(=O)Cl PI-15616 [1,0,1,0,0,0|2,0,0]=4 93 B7R0.4 BrCCCCC(=O)O PI-11341 [1,0,1,0,0,0|1,0,0]=3 94 B7R0.4 C#CCCCC(O)=O PI-37286 [1,0,1,0,0,0|1,0,1]=4 95 B7R0.4 C(CCBr)CC(=O)[O-] PI-41801 [1,0,1,0,0,0|1,0,1]=4 96 B7R0.4 C(CCCl)CC(=O)Cl PI-44721 [1,0,1,0,0,0|2,0,0]=4 97 B7R0.4 C(CNCC(=O)O)N PI-47160 [1,0,1,0,0,0|1,0,0]=3 98 B7R0.4 CC(=O)CCCCCl PI-28023 [1,0,1,0,0,0|2,0,0]=4 99 B7R0.4 CCCOCC(=O)O PI-32592 [1,0,1,0,0,0|1,0,0]=3 100 B7R0.4 NCCCCC(=O)O PI-30804 [1,0,1,0,0,0|0,0,0]=2 101 B7R0.4 O=C(O)CNCC=C PI-37297 [1,0,1,0,0,0|0,0,2]=4 102 B7R0.4 OC(=O)CCCCN PI-40783 [1,0,1,0,0,0|0,0,0]=2 103 B7R0.5 C#CCC(C(=O)O)N PI-43612 [1,0,1,0,0,0|0,0,2]=4 104 B7R0.5 C#CCC(C(=O)O)N PI-43896 [1,0,1,0,0,0|0,0,2]=4 105 B7R0.5 C(CN)C(C(=O)O)N PI-18265 [1,0,1,0,0,0|1,0,0]=3 106 B7R0.5 C(CN)C(C(=O)O)N PI-18421 [1,0,1,0,0,0|1,0,0]=3 107 B7R0.5 C(CN)C(C(=O)O)N PI-45534 [1,0,1,0,0,0|1,0,0]=3 108 B7R0.5 C(CN)C(C(=O)O)O PI-16049 [1,0,1,0,0,0|2,0,0]=4 109 B7R0.5 C=CCC(C(=O)O)N PI-43236 [1,0,1,0,0,0|0,0,2]=4 110 B7R0.5 C=CCC(C(=O)O)N PI-43396 [1,0,1,0,0,0|0,0,2]=4 111 B7R0.5 CC(C(=O)O)NC=O PI-33235 [1,0,1,0,0,0|0,0,2]=4 112 B7R0.5 CCCC(C(=O)O)Br PI-44608 [1,0,1,0,0,0|1,0,0]=3 113 B7R0.5 CCCC(C(=O)O)N PI-13494 [1,0,1,0,0,0|0,0,0]=2 114 B7R0.5 CCC[C@H](C(=O)O)N PI-39155 [1,0,1,0,0,0|0,0,0]=2 115 B7R0.5 COCC(C(=O)O)N PI-14934 [1,0,1,0,0,0|1,0,0]=3 116 B7R0.5 COCC(C(=O)O)N PI-14935 [1,0,1,0,0,0|1,0,0]=3 117 B7R0.5 CSC[C@@H](C(=O)O)N PI-25076 [1,0,1,0,0,0|1,0,0]=3 118 B7R0.5 NC(CC=C)C(O)=O PI-29913 [1,0,1,0,0,0|0,0,2]=4 119 B7R0.5 NC(CCBr)C(=O)O PI-36244 [1,0,1,0,0,0|1,0,0]=3 120 B7R0.5 NC(CCO)C(O)=O PI-41434 [1,0,1,0,0,0|0,0,0]=2 121 B7R0.5 NC(CCS)C(=O)O PI-27603 [1,0,1,0,0,0|0,1,0]=3 122 B7R0.5 NCCC(C(=O)O)N PI-27828 [1,0,1,0,0,0|1,0,0]=3 123 B7R0.5 N[C@@H](CCS)C(O)=O PI-37318 [1,0,1,0,0,0|0,1,0]=3 124 B7R0.5 N[C@H](C(=O)O)CCBr PI-40811 [1,0,1,0,0,0|1,0,0]=3 125 B7R0.5 O=C(O)[C@@H](N)CSC PI-41817 [1,0,1,0,0,0|1,0,0]=3 126 B7R0.5 OCC[C@H](C(=O)O)N PI-31830 [1,0,1,0,0,0|0,0,0]=2 127 B7R0.5 OCC[C@H](N)C(=O)O PI-14275 [1,0,1,0,0,0|0,0,0]=2 128 B7R0.6 CC(C)CCC(=O)O PI-25767 [1,0,1,0,0,0|1,0,0]=3 129 B7R0.6 C[C@H](O)CC[C@H](C)O PI-20708 [1,0,1,0,0,0|1,0,1]=4 130 B7R0.6 C[S+](C)CCC(=O)O PI-45961 [1,0,1,0,0,0|2,0,0]=4 131 B7R0.15 CCC(CC)C(=O)[O-] PI-26914 [1,0,1,0,0,0|1,0,1]=4 132 B7R0.15 CNC(CO)C(=O)O PI-43688 [1,0,1,0,0,0|0,0,0]=2 133 B7R0.2 CC(C)CC(CO)N PI-35868 [1,0,1,0,0,0|1,0,1]=4 134 B7R0.2 OC[C@@H](CC(C)C)N PI-35776 [1,0,1,0,0,0|1,0,1]=4 135 B7R1.1 C1CC(NC1)CN PI-35678 [2,0,0,0,0,0|1,0,1]=4 136 B7R1.1 C1CCC(C1)CO PI-44131 [2,0,0,0,0,0|1,0,1]=4 137 B7R1.1 C1C[C@H](NC1)C#N PI-48319 [2,0,0,0,0,0|1,0,1]=4 138 B7R1.1 O=CC1=CCCC1 PI-39104 [2,0,0,0,0,0|1,0,1]=4 139 B7R1.1 OC[C@@H]1CCCN1 PI-16636 [2,0,0,0,0,0|0,0,1]=3 140 B7R1.1 OC[C@H]1CCCN1 PI-16475 [2,0,0,0,0,0|0,0,1]=3 141 B7R1.2 C1C(CNC1=O)N PI-35851 [2,0,0,0,0,0|1,0,1]=4 142 B7R1.2 C1C(COC1=O)O PI-28663 [2,0,0,0,0,0|1,0,1]=4 143 B7R1.2 C1CC(CC1N)O PI-44226 [2,0,0,0,0,0|2,0,0]=4 144 B7R1.2 C1CC(CC1O)O PI-43989 [2,0,0,0,0,0|1,0,0]=3 145 B7R1.2 CC1CCC(C1)O PI-44641 [2,0,0,0,0,0|1,0,1]=4 146 B7R1.2 O=C1OCC(O)C1 PI-12958 [2,0,0,0,0,0|1,0,1]=4 147 B7R1.2 OC1CC(=O)NC1 PI-39044 [2,0,0,0,0,0|0,0,1]=3 148 B7R1.2 O[C@@H]1CC(=O)NC1 PI-15469 [2,0,0,0,0,0|0,0,1]=3 149 B7R1.2 O[C@H]1CC(=O)NC1 PI-15470 [2,0,0,0,0,0|0,0,1]=3 150 B7R1.2 O[C@H]1CC(=O)OC1 PI-28789 [2,0,0,0,0,0|1,0,1]=4 151 B9R0.13 CCCCC(C(=O)O)NC PI-43569 [0,1,1,0,0,0|2,0,0]=4 152 B9R0.13 CNC(CCCN)C(=O)O PI-43554 [0,1,1,0,0,0|2,0,0]=4 153 B9R0.13 CNC(CCCN)C(=O)O PI-43900 [0,1,1,0,0,0|2,0,0]=4 154 B9R0.51 CCCCC(C)(C)C(=O)O PI-21952 [0,1,1,0,0,0|2,0,0]=4 155 B9R0.23 CCC(C)C(CC(=O)O)N PI-43670 [0,1,1,0,0,0|2,0,0]=4 156 B9R0.15 CCCC(C(=O)O)CCC PI-21725 [0,1,1,0,0,0|2,0,0]=4 157 B9R0.15 CCCC(CCC)C(=O)O PI-12993 [0,1,1,0,0,0|2,0,0]=4 158 B9R0.39 CC(C)CC(C(=O)O)NC PI-43733 [0,1,1,0,0,0|1,0,0]=3 159 B9R0.39 CNC(CC(=O)O)C(=O)O PI-35775 [0,1,1,0,0,0|0,0,1]=3 160 B9R0.39 CN[C@@H](C(=O)O)CC(=O)O PI-27816 [0,1,1,0,0,0|0,0,1]=3 161 B9R0.57 OC(=O)[C@H](CS(=O)(=O)O)N PI-27373 [0,1,1,0,0,0|2,0,0]=4 162 B9R0.53 CC(C)CC(CC(=O)O)N PI-43912 [0,1,1,0,0,0|2,0,0]=4 163 B9R0.53 CC(C)C[C@@H](N)CC(=O)O PI-36246 [0,1,1,0,0,0|2,0,0]=4 164 B9R0.53 CC(CN(C)CC(C)O)O PI-50687 [0,1,1,0,0,0|1,0,1]=4 165 B9R1.11 COC(=O)C1=CCCC1 PI-38160 [1,1,0,0,0,0|1,0,1]=4 166 B9R1.11 COC(=O)C1CCCN1 PI-14284 [1,1,0,0,0,0|0,0,0]=2 167 B9R1.11 COC(=O)C1CCCO1 PI-13051 [1,1,0,0,0,0|1,0,0]=3 168 B9R1.11 COC(=O)C1CCNC1 PI-27313 [1,1,0,0,0,0|2,0,0]=4 169 B9R1.11 COC(=O)[C@@H]1CCCN1 PI-14283 [1,1,0,0,0,0|0,0,0]=2 170 B9R1.11 O=C(C1CNCC1)OC PI-46627 [1,1,0,0,0,0|2,0,0]=4 171 B9R1.11 O=C(C1COCC1)OC PI-42697 [1,1,0,0,0,0|2,0,0]=4 172 B9R1.41 C1CC(C(C1)N)C(=O)O PI-36305 [1,1,0,0,0,0|1,0,0]=3 173 B9R1.41 CN1CCCC1C(=O)O PI-43187 [1,1,0,0,0,0|0,0,0]=2 174 B9R1.163 C1CCC(C1)(C(=O)N)N PI-12587 [1,1,0,0,0,0|2,0,0]=4 175 B9R1.163 C1CCC(C1)(C(=O)O)N PI-30681 [1,1,0,0,0,0|1,0,0]=3 176 B9R1.163 CC1(CCCN1)C(=O)O PI-41289 [1,1,0,0,0,0|0,0,0]=2 177 B9R1.163 O=C(C1(N)COCC1)O PI-40281 [1,1,0,0,0,0|2,0,0]=4 178 B9R1.163 OC(=O)C1(C)COCC1 PI-39236 [1,1,0,0,0,0|2,0,0]=4 179 B9R1.163 OC(=O)[C@]1(C)CCCN1 PI-41288 [1,1,0,0,0,0|0,0,0]=2 180 B9R1.82 COC(=O)C1CC(=O)C1 PI-48951 [0,1,0,0,1,0|0,0,2]=4 181 B9R1.82 COC(=O)C1CC(C1)O PI-45752 [0,1,0,0,1,0|0,0,0]=2 182 B9R1.82 O=C([C@H]1C[C@@H](N)C1)OC PI-41849 [0,1,0,0,1,0|1,0,0]=3 183 B11R1.3 C1CC(CCC1CO)C(=O)O PI-43268 [0,1,0,0,0,1|1,0,0]=3 184 B11R1.3 CCC1CCC(CC1)C(=O)O PI-27846 [0,1,0,0,0,1|2,0,0]=4 185 B11R1.3 NC[C@@H]1CC[C@H](CC1)C(=O)O PI-38009 [0,1,0,0,0,1|2,0,0]=4 186 B11R1.22 COC(=O)C1CCC(CC1)N PI-48372 [0,1,0,0,0,1|2,0,0]=4 187 B11R1.22 COC(=O)C1CCC(CC1)O PI-49430 [0,1,0,0,0,1|1,0,0]=3 188 B11R1.22 COC(=O)[C@@H]1CC[C@@H](CC1)N PI-38435 [0,1,0,0,0,1|2,0,0]=4 189 B11R1.727 OC(=O)C1CCC(CC1)(F)F PI-33757 [0,1,0,0,0,1|2,0,0]=4 190 B11R1.667 CC1CCCC(N)(C1)C(=O)O PI-36240 [0,1,0,0,0,1|2,0,0]=4 191 B11R1.225 COC(=O)C1CC(C)CC1=O PI-36283 [0,2,0,0,0,0|2,0,0]=4 192 B9R1.6 C1CC(CNC1)C(=O)O PI-21884 [0,0,1,1,0,0|2,0,0]=4 193 B9R1.6 C1CC(CNC1)C(=O)O PI-25607 [0,0,1,1,0,0|2,0,0]=4 194 B9R1.6 C1CCNC(C1)C(=O)O PI-16483 [0,0,1,1,0,0|1,0,0]=3 195 B9R1.6 C1COC(CO1)C(=O)O PI-41690 [0,0,1,1,0,0|1,0,0]=3 196 B9R1.6 C1CSCC(N1)C(=O)O PI-17982 [0,0,1,1,0,0|0,1,0]=3 197 B9R1.6 OC(=O)C1CCCCC1 PI-34204 [0,0,1,1,0,0|2,0,0]=4 198 B9R1.6 OC(=O)C1CCCCN1 PI-16286 [0,0,1,1,0,0|1,0,0]=3 199 B9R1.6 OC(=O)C1CCCOC1 PI-39358 [0,0,1,1,0,0|1,0,0]=3 200 B9R1.6 OC(=O)C1CNCCN1 PI-15698 [0,0,1,1,0,0|1,0,0]=3 201 B9R1.6 OC(=O)C1NCCNC1 PI-10270 [0,0,1,1,0,0|1,0,0]=3 202 B9R1.6 OC(=O)[C@@H]1CCCCN1 PI-10137 [0,0,1,1,0,0|1,0,0]=3 203 B9R1.6 OC(=O)[C@@H]1CNCCN1 PI-10140 [0,0,1,1,0,0|1,0,0]=3 204 B9R1.6 OC(=O)[C@@H]1CSCCN1 PI-36417 [0,0,1,1,0,0|0,1,0]=3 205 B9R1.6 OC(=O)[C@@H]1NCCNC1 PI-10335 [0,0,1,1,0,0|1,0,0]=3 206 B9R1.6 OC(=O)[C@H]1CCCCN1 PI-10136 [0,0,1,1,0,0|1,0,0]=3 207 B9R1.6 OC(=O)[C@H]1CCCNC1 PI-21885 [0,0,1,1,0,0|2,0,0]=4 208 B9R1.6 OC(=O)[C@H]1CNCCN1 PI-10164 [0,0,1,1,0,0|1,0,0]=3 209 B9R1.6 OC(=O)[C@H]1NCCNC1 PI-18225 [0,0,1,1,0,0|1,0,0]=3 210 B9R1.84 C1CC(C1)CCC(=O)O PI-33316 [0,0,1,1,0,0|2,0,0]=4 211 B9R1.85 C1CC1COCC(=O)O PI-48044 [0,0,1,1,0,0|2,0,0]=4 212 B9R2.39 C1C2CC(C1C=C2)O PI-39596 [1,0,0,1,0,0|2,0,0]=4 213 B7R0.16 CC(C(C(=O)O)N)F PI-30663 [0,0,1,0,1,0|1,0,0]=3 214 B7R0.16 CC(C(C(=O)O)N)O PI-10276 [0,0,1,0,1,0|0,0,0]=2 215 B7R0.16 CC(C(C(=O)O)N)O PI-15755 [0,0,1,0,1,0|0,0,0]=2 216 B7R0.16 CC(C(C(=O)O)N)O PI-27180 [0,0,1,0,1,0|0,0,0]=2 217 B7R0.16 CC(C(C)N)C(=O)O PI-35160 [0,0,1,0,1,0|2,0,0]=4 218 B7R0.16 CC(C(C)N)C(=O)O PI-35161 [0,0,1,0,1,0|2,0,0]=4 219 B7R0.16 CC(C)C(C(=O)O)Br PI-22142 [0,0,1,0,1,0|2,0,0]=4 220 B7R0.16 CC(C)C(C(=O)O)Br PI-22143 [0,0,1,0,1,0|2,0,0]=4 221 B7R0.16 CC(C)C(C(=O)O)Br PI-22144 [0,0,1,0,1,0|2,0,0]=4 222 B7R0.16 C[C@@H]([C@H](C(=O)O)N)O PI-16564 [0,0,1,0,1,0|0,0,0]=2 223 B7R0.16 C[C@H](O)[C@H](N)C(=O)O PI-27434 [0,0,1,0,1,0|0,0,0]=2 224 B7R0.16 N[C@@H]([C@H](O)C)C(N)=O PI-41044 [0,0,1,0,1,0|1,0,0]=3 225 B7R0.16 N[C@H](C(C)C)C(N)=O PI-42206 [0,0,1,0,1,0|2,0,0]=4 226 B7R0.16 N[C@H](C(C)C)C(O)=O PI-16566 [0,0,1,0,1,0|1,0,0]=3 227 B7R0.16 OC(C(C)C)C(=O)O PI-27567 [0,0,1,0,1,0|2,0,0]=4 228 B7R1.18 C1C(CN1)C(=O)O PI-49248 [1,0,0,0,1,0|1,0,0]=3 229 B7R1.18 C1CC(C1)C(=O)O PI-16540 [1,0,0,0,1,0|0,0,0]=2 230 B7R1.18 ClC(=O)C1CCC1 PI-13205 [1,0,0,0,1,0|1,0,0]=3 231 B7R1.18 OC(=O)C1CCN1 PI-25003 [1,0,0,0,1,0|0,0,0]=2 232 B7R1.18 OC(=O)C1CNC1 PI-14151 [1,0,0,0,1,0|1,0,0]=3 233 B7R1.18 OC(=O)[C@@H]1CCN1 PI-14152 [1,0,0,0,1,0|0,0,0]=2 234 B7R1.18 OC(=O)[C@H]1CCN1 PI-25834 [1,0,0,0,1,0|0,0,0]=2 235 B7R1.12 C1C(C1F)C(=O)O PI-48944 [0,0,0,0,2,0|1,0,0]=3 236 B7R1.12 OC(=O)[C@H]1C[C@H]1F PI-39142 [0,0,0,0,2,0|1,0,0]=3 237 B9R1.2 C1CNC(CC1C=O)Br PI-13267 [1,0,0,0,0,1|2,0,0]=4 238 B9R1.13 C1CC(NC1)CC(=O)O PI-27684 [1,0,0,0,0,1|0,0,0]=2 239 B9R1.13 C1CC(NC1)CC(=O)O PI-43782 [1,0,0,0,0,1|0,0,0]=2 240 B9R1.13 C1COCC1CC(=O)O PI-45427 [1,0,0,0,0,1|2,0,0]=4 241 B9R1.13 ClC(=O)OC1CCCC1 PI-24448 [1,0,0,0,0,1|2,0,0]=4 242 B11R1.20 OC1CCC(CC1)NC(=O)C PI-39206 [0,0,0,0,0,2|2,0,0]=4