0 B9R1.35 CC(=O)N1CCC(N)C1 CS-0052894 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.35 CC(=O)N1CCC(N)C1 CS-0183429 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.35 CC(=O)N1CC[C@H](N)C1 CS-0540301 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.35 CC(=O)N1CC[C@H](O)C1 CS-0207736 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.35 CC1=NC(C(=O)O)CC1 CS-0664249 [0,0,0,0,0,0|3,0,1]=4 5 B9R1.35 CC1CCC(C(=O)O)O1 CS-0231104 [0,0,0,0,0,0|3,0,0]=3 6 B9R1.35 CC1CCC(C(C)O)C1 CS-0250359 [0,0,0,0,0,0|3,0,1]=4 7 B9R1.35 CN(C)C1CCC(O)C1 CS-0225618 [0,0,0,0,0,0|4,0,0]=4 8 B9R1.35 CN1C=NC(C(=O)O)C1 CS-0224237 [0,0,0,0,0,0|2,0,2]=4 9 B9R1.35 CN1CCC(C(=O)O)C1 CS-W003333 [0,0,0,0,0,0|3,0,0]=3 10 B9R1.35 CN1CC[C@H](C(=O)O)C1 CS-0053278 [0,0,0,0,0,0|3,0,0]=3 11 B9R1.35 CS(=O)C1CCC(N)C1 CS-0231174 [0,0,0,0,0,0|4,0,0]=4 12 B9R1.35 C[C@@H]1CC[C@H](C(=O)O)N1 CS-0309404 [0,0,0,0,0,0|3,0,0]=3 13 B9R1.35 C[C@@H]1CN[C@H](C(=O)O)C1 CS-0089834 [0,0,0,0,0,0|1,0,0]=1 14 B9R1.35 C[C@@H]1CN[C@H](C(=O)O)C1 CS-0170850 [0,0,0,0,0,0|1,0,0]=1 15 B9R1.35 C[C@H]1CC[C@@H](C(=O)O)N1 CS-0184631 [0,0,0,0,0,0|3,0,0]=3 16 B9R1.35 C[C@H]1CC[C@H](C(=O)O)N1 CS-0184567 [0,0,0,0,0,0|3,0,0]=3 17 B9R1.35 C[C@H]1CN[C@H](C(=O)O)C1 CS-0183084 [0,0,0,0,0,0|1,0,0]=1 18 B9R1.35 NC(=O)N1CCC(N)C1 CS-0260534 [0,0,0,0,0,0|4,0,0]=4 19 B9R1.35 NC(=O)[C@@H]1C[C@@H](F)CN1 CS-0306250 [0,0,0,0,0,0|2,0,0]=2 20 B9R1.35 NC(=O)[C@@H]1C[C@@H](F)CN1 CS-0673108 [0,0,0,0,0,0|2,0,0]=2 21 B9R1.35 N[C@H]1CN[C@H](C(=O)O)C1 CS-0001905 [0,0,0,0,0,0|1,0,0]=1 22 B9R1.35 O=C(O)[C@@H]1CC[C@@H](O)C1 CS-0645142 [0,0,0,0,0,0|1,0,0]=1 23 B9R1.35 O=C(O)[C@@H]1CC[C@H](O)C1 CS-0129823 [0,0,0,0,0,0|1,0,0]=1 24 B9R1.35 O=C(O)[C@@H]1CC[C@H](O)C1 CS-0782222 [0,0,0,0,0,0|1,0,0]=1 25 B9R1.35 O=C(O)[C@H]1CC[C@@H](O)C1 CS-0310402 [0,0,0,0,0,0|1,0,0]=1 26 B9R1.35 [C@@H]1(N)CCN(C(C)=O)C1 CS-W006916 [0,0,0,0,0,0|4,0,0]=4 27 B8R1.1 CNC1CCC(O)C1 CS-0759785 [1,0,0,0,0,0|3,0,0]=4 28 B8R1.1 CO[C@@H]1CC[C@@H](O)C1 CS-0479621 [1,0,0,0,0,0|3,0,0]=4 29 B8R1.1 CO[C@@H]1CC[C@H](O)C1 CS-0057992 [1,0,0,0,0,0|3,0,0]=4 30 B8R1.1 C[C@@H]1CN[C@H](CO)C1 CS-0444309 [1,0,0,0,0,0|1,0,1]=3 31 B8R1.1 N#C[C@H]1CC[C@@H](O)C1 CS-0038000 [1,0,0,0,0,0|2,0,1]=4 32 B8R1.1 N#C[C@H]1C[C@H](F)CN1 CS-0500631 [1,0,0,0,0,0|2,0,1]=4 33 B8R1.1 NC1CCC(CO)C1 CS-0656340 [1,0,0,0,0,0|2,0,1]=4 34 B8R1.1 NCC1CCC(O)C1 CS-0038957 [1,0,0,0,0,0|2,0,1]=4 35 B8R1.1 N[C@H]1CC[C@@H](CO)C1 CS-0369206 [1,0,0,0,0,0|2,0,1]=4 36 B8R1.1 N[C@H]1CC[C@@H](CO)C1 CS-0533656 [1,0,0,0,0,0|2,0,1]=4 37 B8R1.1 N[C@H]1CN[C@H](CO)C1 CS-0001909 [1,0,0,0,0,0|1,0,1]=3 38 B8R1.1 OCC1CC(F)CN1 CS-1186474 [1,0,0,0,0,0|1,0,1]=3 39 B8R1.1 OCC1CCC(F)C1 CS-0055813 [1,0,0,0,0,0|2,0,1]=4 40 B8R1.1 OCC1CCC(O)C1 CS-0108613 [1,0,0,0,0,0|1,0,1]=3 41 B8R1.1 OC[C@@H]1CC[C@@H](F)C1 CS-0055815 [1,0,0,0,0,0|2,0,1]=4 42 B8R1.1 OC[C@@H]1CC[C@H](F)C1 CS-0055814 [1,0,0,0,0,0|2,0,1]=4 43 B8R1.1 OC[C@@H]1CC[C@H](O)C1 CS-0913631 [1,0,0,0,0,0|1,0,1]=3 44 B8R1.1 OC[C@H]1C[C@H](F)CN1 CS-0505016 [1,0,0,0,0,0|1,0,1]=3 45 B8R1.7 CC(=O)C1CCCO1 CS-0450373 [1,0,0,0,0,0|2,0,0]=3 46 B8R1.7 CC(=O)C1CCCS1 CS-0240192 [1,0,0,0,0,0|2,0,0]=3 47 B8R1.7 CC(=O)[C@@H]1CCCN1 CS-0341964 [1,0,0,0,0,0|1,0,0]=2 48 B8R1.7 CC(C)[C@H]1CCCN1 CS-0053500 [1,0,0,0,0,0|2,0,1]=4 49 B8R1.7 CC(O)C1CCCN1 CS-0258928 [1,0,0,0,0,0|1,0,1]=3 50 B8R1.7 C[C@@H](O)C1CCCC1 CS-0144925 [1,0,0,0,0,0|2,0,1]=4 51 B8R1.7 FC(F)[C@@H]1CCCN1 CS-0053451 [1,0,0,0,0,0|2,0,1]=4 52 B8R1.7 N=C(N)C1CCCO1 CS-0160245 [1,0,0,0,0,0|3,0,0]=4 53 B8R1.7 NC(=O)C1CSCN1 CS-0222864 [1,0,0,0,0,0|2,0,0]=3 54 B8R1.7 NC(=O)[C@@H]1CCNC1 CS-0007631 [1,0,0,0,0,0|3,0,0]=4 55 B8R1.7 NC(=O)[C@H]1CCCN1 CS-0099967 [1,0,0,0,0,0|1,0,0]=2 56 B8R1.7 NC(=S)C1CCCO1 CS-0217644 [1,0,0,0,0,0|2,1,0]=4 57 B8R1.7 O=C(O)[C@@H]1COCN1 CS-W022930 [1,0,0,0,0,0|1,0,0]=2 58 B8R1.7 O=S([O-])C1CCCC1 CS-0698481 [1,0,0,0,0,0|2,0,1]=4 59 B8R1.7 O=[N+]([O-])C1CCCC1 CS-0204287 [1,0,0,0,0,0|2,0,1]=4 60 B10R1.14 CCC(=O)N1CCC(O)C1 CS-0308115 [0,1,0,0,0,0|3,0,0]=4 61 B10R1.14 COC(=O)C1CCC(Br)C1 CS-0049106 [0,1,0,0,0,0|2,0,0]=3 62 B10R1.14 COC(=O)N1CCC(N)C1 CS-0263665 [0,1,0,0,0,0|3,0,0]=4 63 B10R1.14 COC(=O)[C@@H]1CC[C@@H](N)C1 CS-0368641 [0,1,0,0,0,0|2,0,0]=3 64 B10R1.14 COC(=O)[C@@H]1CC[C@@H](O)C1 CS-0055660 [0,1,0,0,0,0|1,0,0]=2 65 B10R1.14 COC(=O)[C@@H]1CC[C@H](O)C1 CS-0048900 [0,1,0,0,0,0|1,0,0]=2 66 B10R1.14 COC(=O)[C@@H]1CC[C@H](O)C1 CS-0506296 [0,1,0,0,0,0|1,0,0]=2 67 B10R1.14 COC(=O)[C@@H]1C[C@H](N)CO1 CS-0376024 [0,1,0,0,0,0|2,0,0]=3 68 B10R1.14 COC(=O)[C@H]1C=C[C@@H](N)C1 CS-0005907 [0,1,0,0,0,0|2,0,1]=4 69 B10R1.31 CC(=O)N1CCC(CO)C1 CS-0052677 [0,1,0,0,0,0|3,0,0]=4 70 B10R1.31 CC(=O)N1CC[C@@H](CO)C1 CS-0879717 [0,1,0,0,0,0|3,0,0]=4 71 B10R1.31 CC(=O)N1CC[C@H](CO)C1 CS-0183933 [0,1,0,0,0,0|3,0,0]=4 72 B10R1.31 CCC1CCC(C(=O)O)C1 CS-0245115 [0,1,0,0,0,0|2,0,0]=3 73 B10R1.31 CCC1CC[C@@H](C(=O)O)N1 CS-0521358 [0,1,0,0,0,0|3,0,0]=4 74 B10R1.31 CCN1CCC(C(=O)O)C1 CS-0317656 [0,1,0,0,0,0|3,0,0]=4 75 B10R1.58 CN1C[C@@H](C(=O)O)NC1=O CS-0076403 [0,1,0,0,0,0|2,0,1]=4 76 B10R1.59 CN1C[C@@H](O)C[C@H]1C(=O)O CS-0258296 [0,1,0,0,0,0|0,0,0]=1 77 B10R1.359 CC1(C)CCC(C(=O)O)C1 CS-0224441 [0,1,0,0,0,0|2,0,0]=3 78 B10R1.359 CC1(C)CCC(C(=O)O)N1 CS-0055105 [0,1,0,0,0,0|3,0,0]=4 79 B10R1.359 CC1(C)CCC(C(=O)O)N1 CS-0495421 [0,1,0,0,0,0|3,0,0]=4 80 B10R1.359 CC1(C)CCC(C(=O)O)O1 CS-0466254 [0,1,0,0,0,0|3,0,0]=4 81 B10R1.359 NC(=O)[C@H]1CC(F)(F)CN1 CS-0444428 [0,1,0,0,0,0|2,0,0]=3 82 B10R1.359 O=C(O)C1CC(F)(F)CN1 CS-0291761 [0,1,0,0,0,0|1,0,0]=2 83 B10R1.359 O=C(O)[C@@H]1CC(F)(F)CN1 CS-0054754 [0,1,0,0,0,0|1,0,0]=2 84 B10R1.359 O=C(O)[C@@H]1CCC(F)(F)C1 CS-0053636 [0,1,0,0,0,0|2,0,0]=3 85 B10R1.359 O=C(O)[C@H]1CCC(F)(F)C1 CS-0054812 [0,1,0,0,0,0|2,0,0]=3 86 B10R1.470 CN1CCC(F)(C(=O)O)C1 CS-0467918 [0,1,0,0,0,0|3,0,0]=4 87 B8R0.8 CC(CCCN)C(=O)O CS-0224463 [0,0,1,0,0,0|2,0,0]=3 88 B8R0.8 CCCC[C@H](C)C(=O)O CS-0452966 [0,0,1,0,0,0|2,0,0]=3 89 B8R0.8 CCCNC(=O)C(=O)O CS-0317152 [0,0,1,0,0,0|2,0,1]=4 90 B8R0.8 CCCNC(C)C(=O)O CS-0277958 [0,0,1,0,0,0|1,0,0]=2 91 B8R0.8 CCCOC(C)C(=O)O CS-0314694 [0,0,1,0,0,0|2,0,0]=3 92 B8R0.8 CCC\C=C(/C)C(=O)O CS-0188277 [0,0,1,0,0,0|2,0,1]=4 93 B8R0.8 CCOCC(C)C(=O)O CS-0253035 [0,0,1,0,0,0|3,0,0]=4 94 B8R0.8 N[C@@H](CCCO)C(=O)O CS-0437642 [0,0,1,0,0,0|2,0,0]=3 95 B8R0.9 CC(CN)CCC(=O)O CS-0224592 [0,0,1,0,0,0|1,0,0]=2 96 B8R0.9 CCC(=O)CCC(=O)O CS-0207493 [0,0,1,0,0,0|1,0,2]=4 97 B8R0.9 CCC(C)CCC(C)=O CS-0243170 [0,0,1,0,0,0|3,0,0]=4 98 B8R0.9 CSC(C)CCC(=O)O CS-0231920 [0,0,1,0,0,0|3,0,0]=4 99 B8R0.9 NCC(N)CCC(=O)O CS-0260402 [0,0,1,0,0,0|1,0,0]=2 100 B8R0.9 NNC(=O)CCC(=O)O CS-0521384 [0,0,1,0,0,0|1,0,2]=4 101 B8R0.9 [C@@H](N)(C=C)CCC(=O)O CS-W013453 [0,0,1,0,0,0|2,0,1]=4 102 B8R0.15 CCC[C@@H](NC)C(=O)O CS-0523742 [0,0,1,0,0,0|1,0,0]=2 103 B8R0.15 CCC[C@H](CO)C(=O)O CS-0466750 [0,0,1,0,0,0|3,0,0]=4 104 B8R0.15 CCOC(CC)C(=O)O CS-0251354 [0,0,1,0,0,0|3,0,0]=4 105 B8R0.23 C=C(C)CC(C)C(=O)O CS-0233161 [0,0,1,0,0,0|2,0,1]=4 106 B8R0.23 CC(C)CC(C)C(=O)O CS-0609945 [0,0,1,0,0,0|2,0,0]=3 107 B8R0.23 CC(C)C[C@H](Cl)C(=O)O CS-0198796 [0,0,1,0,0,0|2,0,0]=3 108 B8R0.23 CC(C)NC(C)C(=O)O CS-0249471 [0,0,1,0,0,0|3,0,0]=4 109 B8R0.23 CC(CN(C)C)C(=O)O CS-0207720 [0,0,1,0,0,0|3,0,0]=4 110 B8R0.23 CN(C)CC(N)C(=O)O CS-0663108 [0,0,1,0,0,0|2,0,0]=3 111 B8R0.23 CN(C)C[C@H](N)C(=O)O CS-0091615 [0,0,1,0,0,0|2,0,0]=3 112 B8R0.23 NC(CC(=O)O)C(=O)[O-] CS-0782010 [0,0,1,0,0,0|1,0,2]=4 113 B8R0.23 NC(CC(F)F)C(=O)O CS-0134112 [0,0,1,0,0,0|2,0,0]=3 114 B8R0.23 N[C@@H](CC(=O)O)C(=O)O CS-W013997 [0,0,1,0,0,0|1,0,1]=3 115 B8R0.23 O=C(O)CC(O)C(=O)O CS-0511758 [0,0,1,0,0,0|2,0,1]=4 116 B8R0.23 O=C(O)C[C@@H](Br)C(=O)O CS-0452070 [0,0,1,0,0,0|2,0,1]=4 117 B8R0.23 O=C(O)C[C@H](F)C(=O)O CS-0516920 [0,0,1,0,0,0|2,0,1]=4 118 B8R0.28 CC(N)CCCC(=O)O CS-0224845 [0,0,1,0,0,0|2,0,0]=3 119 B8R0.28 CC(O)CNCC(F)F CS-0242311 [0,0,1,0,0,0|2,0,1]=4 120 B8R0.28 NC(=O)CNCC(=O)O CS-0346281 [0,0,1,0,0,0|1,0,2]=4 121 B10R2.60 OC1CC2CC1CC2O CS-0490985 [0,0,0,1,0,0|2,0,1]=4 122 B10R2.178 O=C1NCC2CCC1C2 CS-0186768 [0,0,0,1,0,0|3,0,0]=4 123 B10R2.348 O=C(O)C12CC(CN1)C2 CS-0054867 [0,0,0,1,0,0|1,0,0]=2 124 B10R2.348 O=C(O)C12CCC(C1)C2 CS-0092006 [0,0,0,1,0,0|2,0,0]=3 125 B10R2.348 O=C(O)C12COC(C1)C2 CS-0494486 [0,0,0,1,0,0|3,0,0]=4 126 B10R2.355 [C@@H]12CN[C@H](C(=O)O)[C@@H]1C2 CS-0053619 [0,0,0,1,0,0|1,0,0]=2 127 B10R2.357 O=C(O)C1CC2CC2C1 CS-0046676 [0,0,0,1,0,0|2,0,0]=3 128 B10R2.357 [C@H]12C[C@H]1C[C@@H](C(=O)O)N2 CS-0248069 [0,0,0,1,0,0|1,0,0]=2 129 B10R2.357 [C@H]12C[C@H]1C[C@@H](C(N)=O)N2 CS-0135377 [0,0,0,1,0,0|2,0,0]=3 130 B8R1.23 CC(=O)C1CC(O)C1 CS-0052885 [0,0,0,0,1,0|1,0,0]=2 131 B8R1.23 CN(C)C1CC(O)C1 CS-0051690 [0,0,0,0,1,0|3,0,0]=4 132 B8R1.23 CN(C)[C@H]1C[C@@H](O)C1 CS-0435088 [0,0,0,0,1,0|3,0,0]=4 133 B8R1.23 CN(C)[C@H]1C[C@H](O)C1 CS-0434967 [0,0,0,0,1,0|3,0,0]=4 134 B8R1.23 C[C@H]1C[C@@H](C(=O)O)C1 CS-0045557 [0,0,0,0,1,0|1,0,0]=2 135 B8R1.23 NC(=O)N1CC(O)C1 CS-0236651 [0,0,0,0,1,0|2,0,0]=3 136 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 CS-W022614 [0,0,0,0,1,0|1,0,0]=2 137 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 CS-0047792 [0,0,0,0,1,0|1,0,0]=2 138 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 CS-0053763 [0,0,0,0,1,0|1,0,0]=2 139 B8R1.23 O=C(O)[C@H]1C[C@@H](Br)C1 CS-0475970 [0,0,0,0,1,0|1,0,0]=2 140 B8R1.23 O=C(O)[C@H]1C[C@@H](F)C1 CS-0049707 [0,0,0,0,1,0|1,0,0]=2 141 B8R1.23 O=C(O)[C@H]1C[C@H](F)C1 CS-0047785 [0,0,0,0,1,0|1,0,0]=2 142 B8R1.23 O=C1C[C@H](C(=O)O)N1 CS-0053483 [0,0,0,0,1,0|0,0,2]=3 143 B8R1.23 OC1CC(C(F)F)C1 CS-0172808 [0,0,0,0,1,0|2,0,1]=4 144 B8R1.31 CC1NCC1C(=O)O CS-0091784 [0,0,0,0,1,0|3,0,0]=4 145 B8R1.31 CN1CCC1C(=O)O CS-0056391 [0,0,0,0,1,0|3,0,0]=4 146 B8R1.31 CN1CC[C@@H]1C(=O)O CS-0052024 [0,0,0,0,1,0|3,0,0]=4 147 B8R1.31 CN1CC[C@H]1C(=O)O CS-0052023 [0,0,0,0,1,0|3,0,0]=4 148 B8R1.31 N[C@H]1CC[C@H]1C(=O)O CS-0049744 [0,0,0,0,1,0|2,0,0]=3 149 B10R1.13 CC(=O)C1CCC(O)CC1 CS-0698838 [0,0,0,0,0,1|2,0,0]=3 150 B10R1.13 CC(=O)[C@H]1CC[C@H](N)CC1 CS-0475736 [0,0,0,0,0,1|3,0,0]=4 151 B10R1.13 CC1CC=C(C(=O)O)CC1 CS-0309596 [0,0,0,0,0,1|2,0,1]=4 152 B10R1.13 CC1CCC(C(=O)O)CN1 CS-0441513 [0,0,0,0,0,1|2,0,0]=3 153 B10R1.13 CC1CCC(C(N)=O)CN1 CS-0283189 [0,0,0,0,0,1|3,0,0]=4 154 B10R1.13 CC1CNC(C(=O)O)CO1 CS-1029496 [0,0,0,0,0,1|1,0,0]=2 155 B10R1.13 C[C@@H]1CC[C@@H](C(=O)O)CN1 CS-0961785 [0,0,0,0,0,1|2,0,0]=3 156 B10R1.13 NC(=O)C1CCC(N)CC1 CS-0173355 [0,0,0,0,0,1|3,0,0]=4 157 B10R1.13 NC(=O)N1CCC(O)CC1 CS-0253176 [0,0,0,0,0,1|3,0,0]=4 158 B10R1.13 NC(=O)[C@H]1CC[C@H](O)CC1 CS-0474655 [0,0,0,0,0,1|2,0,0]=3 159 B10R1.13 O=C(O)C1CC=C(Br)CC1 CS-0469958 [0,0,0,0,0,1|2,0,1]=4 160 B10R1.13 O=C(O)C1CCC(F)CC1 CS-0053674 [0,0,0,0,0,1|2,0,0]=3 161 B10R1.13 O=C(O)[C@H]1CC[C@@H](F)CC1 CS-0049762 [0,0,0,0,0,1|2,0,0]=3 162 B10R1.13 O=C(O)[C@H]1CC[C@H](F)CC1 CS-0047846 [0,0,0,0,0,1|2,0,0]=3 163 B10R1.13 O=C1CN[C@H](C(=O)O)CN1 CS-0134028 [0,0,0,0,0,1|0,0,2]=3 164 B10R1.13 O=C1CN[C@H](C(=O)O)CN1 CS-0611723 [0,0,0,0,0,1|0,0,2]=3 165 B10R1.54 CC1CC\C(=C/C(=O)O)C1 CS-0230455 [0,0,0,0,0,1|2,0,1]=4 166 B10R1.54 O=C(O)CN1CCC(O)C1 CS-0005394 [0,0,0,0,0,1|2,0,0]=3 167 B10R1.54 O=C(O)CN1CC[C@@H](O)C1 CS-0442388 [0,0,0,0,0,1|2,0,0]=3 168 B10R1.113 CC(=O)N1CCC[C@@H](O)C1 CS-0558504 [0,0,0,0,0,1|3,0,0]=4 169 B10R1.113 CC(=O)N1CCC[C@H](O)C1 CS-0069570 [0,0,0,0,0,1|3,0,0]=4 170 B10R1.113 CC1CC(C(=O)O)CCN1 CS-0056620 [0,0,0,0,0,1|2,0,0]=3 171 B10R1.113 CC1CC(C(=O)O)CCO1 CS-0058244 [0,0,0,0,0,1|2,0,0]=3 172 B10R1.113 CC1CCNC(C(=O)O)C1 CS-0291767 [0,0,0,0,0,1|1,0,0]=2 173 B10R1.113 CC1CCNC(C(C)O)C1 CS-0802858 [0,0,0,0,0,1|2,0,1]=4 174 B10R1.113 CC1CCNC(C(N)=O)C1 CS-0235332 [0,0,0,0,0,1|2,0,0]=3 175 B10R1.113 CC1CNCC(C(=O)O)C1 CS-0184864 [0,0,0,0,0,1|1,0,0]=2 176 B10R1.113 CN1CCC[C@H](C(=O)O)C1 CS-0053280 [0,0,0,0,0,1|3,0,0]=4 177 B10R1.113 CN1CCNC(C(=O)O)C1 CS-0210659 [0,0,0,0,0,1|2,0,0]=3 178 B10R1.113 CN1CCOC(C(=O)O)C1 CS-0341790 [0,0,0,0,0,1|3,0,0]=4 179 B10R1.113 C[C@@H]1C[C@H](C(=O)O)CCN1 CS-0505268 [0,0,0,0,0,1|2,0,0]=3 180 B10R1.113 C[C@@H]1C[C@H](C(=O)O)CCO1 CS-1067435 [0,0,0,0,0,1|2,0,0]=3 181 B10R1.113 NC(=O)C1CCCC(N)C1 CS-0149915 [0,0,0,0,0,1|3,0,0]=4 182 B10R1.113 NC1CCCC(C(=O)O)C1 CS-0099366 [0,0,0,0,0,1|2,0,0]=3 183 B10R1.113 N[C@@H]1CCC[C@H](C(=O)O)C1 CS-0962429 [0,0,0,0,0,1|2,0,0]=3 184 B10R1.113 O=C(O)C1CC(O)CCN1 CS-0973497 [0,0,0,0,0,1|0,0,0]=1 185 B10R1.113 O=C(O)[C@@H]1CCC[C@@H](O)C1 CS-0433315 [0,0,0,0,0,1|1,0,0]=2 186 B10R1.113 O=C(O)[C@H]1CCC[C@H](O)C1 CS-0356192 [0,0,0,0,0,1|1,0,0]=2 187 B10R1.113 O=C(O)[C@H]1C[C@H](O)CCN1 CS-0162367 [0,0,0,0,0,1|0,0,0]=1 188 B10R1.113 O=C1CCC[C@@H](C(=O)O)C1 CS-0309668 [0,0,0,0,0,1|1,0,2]=4 189 B10R1.113 O=C1CCNC(C(=O)O)C1 CS-0476424 [0,0,0,0,0,1|0,0,2]=3 190 B10R1.113 O=C1CCN[C@H](C(=O)O)C1 CS-0318767 [0,0,0,0,0,1|0,0,2]=3 191 B10R1.113 O=C1CNCC(C(=O)O)N1 CS-0692950 [0,0,0,0,0,1|1,0,2]=4 192 B7R0.3 C#CCCC(O)CN CS-0238633 [1,0,1,0,0,0|1,0,1]=4 193 B7R0.3 C=CCCC(O)CCl CS-0216419 [1,0,1,0,0,0|2,0,0]=4 194 B7R0.3 CC(C#N)NCCO CS-0239359 [1,0,1,0,0,0|1,0,1]=4 195 B7R0.3 CCCNC(C)CO CS-0450070 [1,0,1,0,0,0|1,0,1]=4 196 B7R0.3 CSCCC(O)CN CS-0075038 [1,0,1,0,0,0|2,0,0]=4 197 B7R0.4 C#CCNCC(=O)O CS-0076488 [1,0,1,0,0,0|0,0,2]=4 198 B7R0.4 C=CCCCC(C)O CS-0231877 [1,0,1,0,0,0|2,0,0]=4 199 B7R0.4 CC(=O)CCCCBr CS-0155060 [1,0,1,0,0,0|2,0,0]=4 200 B7R0.4 CC(C)CNCCO CS-0961264 [1,0,1,0,0,0|1,0,1]=4 201 B7R0.4 CCCC#CC(=O)O CS-0204403 [1,0,1,0,0,0|1,0,1]=4 202 B7R0.4 CCCNCC(=O)O CS-0297938 [1,0,1,0,0,0|0,0,0]=2 203 B7R0.4 NC(=O)CCCCCl CS-0216725 [1,0,1,0,0,0|2,0,0]=4 204 B7R0.4 NCCCCC(=O)O CS-0214080 [1,0,1,0,0,0|0,0,0]=2 205 B7R0.4 NCCCNC(N)=O CS-0230932 [1,0,1,0,0,0|2,0,0]=4 206 B7R0.4 NCCOCC(N)=O CS-0231422 [1,0,1,0,0,0|2,0,0]=4 207 B7R0.4 NCCSCC(=O)O CS-0230315 [1,0,1,0,0,0|1,0,0]=3 208 B7R0.4 NOCCCC(=O)O CS-0225209 [1,0,1,0,0,0|1,0,0]=3 209 B7R0.4 O=C(O)CCCCO CS-W022392 [1,0,1,0,0,0|1,0,0]=3 210 B7R0.5 C=C(CCC)C(=O)O CS-0232511 [1,0,1,0,0,0|1,0,1]=4 211 B7R0.5 CC(=O)C(Cl)CCO CS-0444407 [1,0,1,0,0,0|2,0,0]=4 212 B7R0.5 CCCC(N)C(N)=O CS-0832391 [1,0,1,0,0,0|1,0,0]=3 213 B7R0.5 CCC[C@@H](O)C(=O)O CS-0697299 [1,0,1,0,0,0|1,0,0]=3 214 B7R0.5 CCNC(C)C(=O)O CS-0524761 [1,0,1,0,0,0|0,0,0]=2 215 B7R0.5 CCNC(C)C(N)=O CS-0323954 [1,0,1,0,0,0|1,0,0]=3 216 B7R0.5 CCN[C@@H](C)C(=O)O CS-0524772 [1,0,1,0,0,0|0,0,0]=2 217 B7R0.5 CCN[C@H](C)C(=O)O CS-0457913 [1,0,1,0,0,0|0,0,0]=2 218 B7R0.5 CCSC(C)C(=O)O CS-0449712 [1,0,1,0,0,0|1,0,0]=3 219 B7R0.5 COCC(Cl)C(=O)O CS-W016486 [1,0,1,0,0,0|2,0,0]=4 220 B7R0.5 COCC(N)C(N)=O CS-0224625 [1,0,1,0,0,0|2,0,0]=4 221 B7R0.5 NCC[C@@H](O)C(=O)O CS-0214761 [1,0,1,0,0,0|2,0,0]=4 222 B7R0.5 N[C@@H](CCO)C(=O)O CS-0541796 [1,0,1,0,0,0|0,0,0]=2 223 B7R0.5 O=C(O)C(O)CCO CS-1001199 [1,0,1,0,0,0|1,0,0]=3 224 B7R0.6 CC(=O)OCC(C)O CS-0505133 [1,0,1,0,0,0|2,0,0]=4 225 B7R0.6 CC(Br)CCC(=O)O CS-0225367 [1,0,1,0,0,0|1,0,0]=3 226 B7R0.6 CC(C)CCC(N)=O CS-0850663 [1,0,1,0,0,0|2,0,0]=4 227 B7R0.6 CC(C)NCC(=O)O CS-0274531 [1,0,1,0,0,0|2,0,0]=4 228 B7R0.6 CC(C)SCC(=O)O CS-0216007 [1,0,1,0,0,0|2,0,0]=4 229 B7R0.6 CC(O)CCC(=O)[O-] CS-0160829 [1,0,1,0,0,0|0,0,1]=3 230 B7R0.6 O=C(O)CCC(=O)O CS-0912129 [1,0,1,0,0,0|1,0,1]=4 231 B7R0.15 CCC(CN)C(=O)O CS-0680219 [1,0,1,0,0,0|2,0,0]=4 232 B7R0.15 CCC(NC)C(N)=O CS-0895915 [1,0,1,0,0,0|1,0,0]=3 233 B7R0.15 CCC(OC)C(=O)O CS-0252116 [1,0,1,0,0,0|1,0,0]=3 234 B7R0.15 CNC(CS)C(=O)O CS-0301359 [1,0,1,0,0,0|0,1,0]=3 235 B7R0.15 CO[C@@H](CN)C(=O)O CS-1055675 [1,0,1,0,0,0|2,0,0]=4 236 B7R1.1 C#C[C@@H]1CCCN1 CS-0448955 [2,0,0,0,0,0|1,0,1]=4 237 B7R1.1 C#C[C@H]1CCCN1 CS-0468593 [2,0,0,0,0,0|1,0,1]=4 238 B7R1.1 FCC1CCCN1 CS-0184179 [2,0,0,0,0,0|1,0,1]=4 239 B7R1.1 NC[C@H]1CCCN1 CS-0466272 [2,0,0,0,0,0|1,0,1]=4 240 B7R1.1 O=CC1CCSC1 CS-0237905 [2,0,0,0,0,0|2,0,0]=4 241 B7R1.1 [C@@H]1(CN)CCCN1 CS-W016651 [2,0,0,0,0,0|1,0,1]=4 242 B7R1.2 CC1CC(O)CN1 CS-0222526 [2,0,0,0,0,0|0,0,1]=3 243 B7R1.2 CC1CNC(C)C1 CS-0217723 [2,0,0,0,0,0|1,0,1]=4 244 B7R1.2 C[C@@H]1CNC(=O)C1 CS-0053172 [2,0,0,0,0,0|1,0,1]=4 245 B7R1.2 C[C@@H]1CN[C@H](C)C1 CS-0673874 [2,0,0,0,0,0|1,0,1]=4 246 B7R1.2 N[C@@H]1CC[C@@H](O)C1 CS-0030169 [2,0,0,0,0,0|2,0,0]=4 247 B7R1.2 N[C@@H]1CNC(=O)C1 CS-0053173 [2,0,0,0,0,0|1,0,1]=4 248 B7R1.2 N[C@H]1CNC(=O)C1 CS-0053185 [2,0,0,0,0,0|1,0,1]=4 249 B7R1.2 O=C1CC[C@H](O)C1 CS-0495545 [2,0,0,0,0,0|1,0,1]=4 250 B7R1.2 OC1CCC(F)C1 CS-0477400 [2,0,0,0,0,0|2,0,0]=4 251 B9R0.7 CC(C)CCC(C)C(=O)O CS-0274136 [0,1,1,0,0,0|2,0,0]=4 252 B9R0.7 C[C@H](CCC(=O)O)C(=O)O CS-0063209 [0,1,1,0,0,0|1,0,1]=4 253 B9R0.13 CCCCC(CC)C(=O)O CS-0506063 [0,1,1,0,0,0|2,0,0]=4 254 B9R0.13 CCCCC(CC)C(=O)O CS-0871088 [0,1,1,0,0,0|2,0,0]=4 255 B9R0.13 CCCCC(CO)C(=O)O CS-0967221 [0,1,1,0,0,0|2,0,0]=4 256 B9R0.13 CCCC[C@@H](CC)C(=O)O CS-0489422 [0,1,1,0,0,0|2,0,0]=4 257 B9R0.42 CCC(C)CC(C)C(=O)O CS-0237412 [0,1,1,0,0,0|2,0,0]=4 258 B9R0.47 COCCCC(C)C(=O)O CS-0232566 [0,1,1,0,0,0|1,0,0]=3 259 B9R0.47 COCCCC(N)C(=O)O CS-0231606 [0,1,1,0,0,0|2,0,0]=4 260 B9R0.47 NC(CSCCO)C(=O)O CS-0458421 [0,1,1,0,0,0|2,0,0]=4 261 B9R0.47 N[C@@H](CCCCO)C(=O)O CS-0266479 [0,1,1,0,0,0|2,0,0]=4 262 B9R0.47 N[C@@H](CCCNO)C(=O)O CS-0072498 [0,1,1,0,0,0|2,0,0]=4 263 B9R0.51 CC(C)(CCCN)C(=O)O CS-0224308 [0,1,1,0,0,0|2,0,0]=4 264 B9R0.51 CC(N)(CCCN)C(=O)O CS-0364959 [0,1,1,0,0,0|2,0,0]=4 265 B9R0.43 CCC(CC)CCC(=O)O CS-0240052 [0,1,1,0,0,0|2,0,0]=4 266 B9R0.48 CCOC(C)CCC(=O)O CS-0278972 [0,1,1,0,0,0|2,0,0]=4 267 B9R0.29 CC[C@H](C)[C@H](NC)C(=O)O CS-0224475 [0,1,1,0,0,0|1,0,0]=3 268 B9R0.33 CCCC(C(=O)O)N(C)C CS-0223610 [0,1,1,0,0,0|1,0,0]=3 269 B9R0.39 CCC(CC(C)C)C(=O)O CS-0242421 [0,1,1,0,0,0|2,0,0]=4 270 B9R0.39 CCC(CC(F)F)C(=O)O CS-0242512 [0,1,1,0,0,0|2,0,0]=4 271 B9R0.39 CNC(CC(=O)O)C(=O)O CS-0208899 [0,1,1,0,0,0|0,0,1]=3 272 B9R0.39 CN[C@H](CC(C)C)C(=O)O CS-0468414 [0,1,1,0,0,0|1,0,0]=3 273 B9R0.39 COC(CC(=O)O)C(=O)O CS-0539587 [0,1,1,0,0,0|1,0,1]=4 274 B9R0.11 CN(C)CC(C)(N)C(=O)O CS-0231922 [0,1,1,0,0,0|2,0,0]=4 275 B9R0.57 CC(C)(C)CC(O)C(=O)O CS-0223479 [0,1,1,0,0,0|2,0,0]=4 276 B9R0.57 CC(C)(O)C[C@H](N)C(=O)O CS-0572059 [0,1,1,0,0,0|0,0,0]=2 277 B9R0.57 CC(CC(C)(C)C)C(=O)O CS-0234517 [0,1,1,0,0,0|2,0,0]=4 278 B9R0.57 CS(=O)(=O)C[C@H](N)C(=O)O CS-0681128 [0,1,1,0,0,0|1,0,1]=4 279 B9R0.57 N[C@@H](CC(F)(F)F)C(=O)O CS-0119487 [0,1,1,0,0,0|2,0,0]=4 280 B9R0.79 CC(C)C(O)C(C)C(=O)O CS-0971126 [0,1,1,0,0,0|2,0,0]=4 281 B9R0.79 CC(C)C(O)C(N)C(=O)O CS-0454724 [0,1,1,0,0,0|1,0,0]=3 282 B9R0.79 N[C@H](C(=O)O)[C@@H](O)C(=O)O CS-0438358 [0,1,1,0,0,0|1,0,1]=4 283 B9R0.79 [C@@H](N)(C(=O)O)[C@H](O)C(C)C CS-W013309 [0,1,1,0,0,0|1,0,0]=3 284 B9R0.1 CCC(C)CCCC(=O)O CS-0237501 [0,1,1,0,0,0|2,0,0]=4 285 B9R0.53 CC(C)CC(C)CC(=O)O CS-0257349 [0,1,1,0,0,0|2,0,0]=4 286 B9R0.56 CC(C)(O)CNCC(=O)O CS-0248987 [0,1,1,0,0,0|0,0,0]=2 287 B9R0.56 O=C(O)CNCP(=O)(O)O CS-0012889 [0,1,1,0,0,0|2,0,0]=4 288 B9R0.56 O=C(O)CNCP(=O)([O-])O CS-0664505 [0,1,1,0,0,0|2,0,0]=4 289 B9R1.22 CN1C[C@H](N)C[C@H]1CO CS-0357063 [1,1,0,0,0,0|1,0,1]=4 290 B9R1.11 CCC(=O)C1CCCC1 CS-0669547 [1,1,0,0,0,0|2,0,0]=4 291 B9R1.11 CNC(=O)C1CCCC1 CS-0104832 [1,1,0,0,0,0|2,0,0]=4 292 B9R1.11 CNC(=O)C1CCCN1 CS-0301342 [1,1,0,0,0,0|1,0,0]=3 293 B9R1.11 CNC(=O)[C@@H]1CCCO1 CS-0487146 [1,1,0,0,0,0|2,0,0]=4 294 B9R1.11 COC(=O)C1CCCC1 CS-0782728 [1,1,0,0,0,0|1,0,0]=3 295 B9R1.11 COC(=O)C1CCCN1 CS-0453254 [1,1,0,0,0,0|0,0,0]=2 296 B9R1.11 COC(=O)[C@@H]1CCNC1 CS-0049282 [1,1,0,0,0,0|2,0,0]=4 297 B9R1.11 COC(=O)[C@@H]1CCOC1 CS-0049283 [1,1,0,0,0,0|2,0,0]=4 298 B9R1.11 COC(=O)[C@H]1CCOC1 CS-0049276 [1,1,0,0,0,0|2,0,0]=4 299 B9R1.11 N=C(NO)C1CCCC1 CS-0368544 [1,1,0,0,0,0|2,0,0]=4 300 B9R1.11 NNC(=O)C1CCCO1 CS-0342542 [1,1,0,0,0,0|2,0,0]=4 301 B9R1.11 NNC(=O)C1CCCS1 CS-0486882 [1,1,0,0,0,0|2,0,0]=4 302 B9R1.11 N\C(=N/O)C1CCCO1 CS-0237759 [1,1,0,0,0,0|2,0,0]=4 303 B9R1.11 O=C(CCl)C1CCCC1 CS-0238161 [1,1,0,0,0,0|2,0,0]=4 304 B9R1.11 O=C(NO)C1CCCN1 CS-1029501 [1,1,0,0,0,0|0,0,0]=2 305 B9R1.11 O=C(NO)[C@@H]1CCCN1 CS-1006077 [1,1,0,0,0,0|0,0,0]=2 306 B9R1.19 CC(C)(O)[C@H]1CCCN1 CS-0096796 [1,1,0,0,0,0|1,0,1]=4 307 B9R1.41 CC(O)[C@@H]1CCCN1C CS-0159083 [1,1,0,0,0,0|1,0,1]=4 308 B9R1.41 CC1=C(C(=O)O)CCC1 CS-0222463 [1,1,0,0,0,0|1,0,1]=4 309 B9R1.41 CN1CCCC1C(=O)O CS-0163377 [1,1,0,0,0,0|0,0,0]=2 310 B9R1.41 CN1CCC[C@@H]1C(N)=O CS-0757774 [1,1,0,0,0,0|1,0,0]=3 311 B9R1.41 CN1CCC[C@H]1C(=O)O CS-0183708 [1,1,0,0,0,0|0,0,0]=2 312 B9R1.41 CN1CCC[C@H]1C(=O)O CS-W002433 [1,1,0,0,0,0|0,0,0]=2 313 B9R1.41 C[C@H]1CCN[C@@H]1C(=O)O CS-0089000 [1,1,0,0,0,0|0,0,0]=2 314 B9R1.41 NC(=O)[C@H]1NCC[C@@H]1O CS-0119965 [1,1,0,0,0,0|1,0,0]=3 315 B9R1.41 NN1CCC[C@@H]1C(=O)O CS-0259367 [1,1,0,0,0,0|0,0,0]=2 316 B9R1.41 N[C@@H]1CCC[C@@H]1C(=O)O CS-0130157 [1,1,0,0,0,0|1,0,0]=3 317 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O CS-0131294 [1,1,0,0,0,0|1,0,0]=3 318 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O CS-0132060 [1,1,0,0,0,0|1,0,0]=3 319 B9R1.41 O=C(O)C1=C(Cl)CCC1 CS-0222806 [1,1,0,0,0,0|1,0,1]=4 320 B9R1.41 O=C(O)C1CCCC1O CS-0486250 [1,1,0,0,0,0|1,0,0]=3 321 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1F CS-0505808 [1,1,0,0,0,0|0,0,0]=2 322 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O CS-0053473 [1,1,0,0,0,0|0,0,0]=2 323 B9R1.41 O=C(O)[C@H]1CCC[C@H]1O CS-0376880 [1,1,0,0,0,0|1,0,0]=3 324 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F CS-0505766 [1,1,0,0,0,0|0,0,0]=2 325 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O CS-0049702 [1,1,0,0,0,0|0,0,0]=2 326 B9R1.163 CC(=O)C1(C)CCCC1 CS-0234377 [1,1,0,0,0,0|2,0,0]=4 327 B9R1.163 CC(=O)C1(O)CCCC1 CS-0199624 [1,1,0,0,0,0|2,0,0]=4 328 B9R1.163 CC1(C(=O)O)CCCS1 CS-0264676 [1,1,0,0,0,0|1,0,0]=3 329 B9R1.163 C[C@@]1(C(N)=O)CCCN1 CS-0054566 [1,1,0,0,0,0|1,0,0]=3 330 B9R1.163 N=C(O)C1(N)CCCC1 CS-W005762 [1,1,0,0,0,0|2,0,0]=4 331 B9R1.163 NC1(C(=O)O)CCSC1 CS-0216454 [1,1,0,0,0,0|2,0,0]=4 332 B9R1.163 N[C@@]1(C(=O)O)CCOC1 CS-0096647 [1,1,0,0,0,0|2,0,0]=4 333 B9R1.163 O=C(O)C1(F)CCOC1 CS-0499494 [1,1,0,0,0,0|2,0,0]=4 334 B9R1.163 O=C(O)C1(O)CCNC1 CS-0611808 [1,1,0,0,0,0|2,0,0]=4 335 B9R1.163 O=C(O)C1(O)CCSC1 CS-0225089 [1,1,0,0,0,0|2,0,0]=4 336 B9R1.82 COC(=O)C1CC(N)C1 CS-0183742 [0,1,0,0,1,0|1,0,0]=3 337 B9R1.82 COC(=O)N1CC(N)C1 CS-0293306 [0,1,0,0,1,0|2,0,0]=4 338 B9R1.95 C#CC1CC(C(=O)O)C1 CS-0474329 [0,1,0,0,1,0|1,0,0]=3 339 B9R1.95 C#C[C@H]1C[C@@H](C(=O)O)C1 CS-0474331 [0,1,0,0,1,0|1,0,0]=3 340 B9R1.95 C#C[C@H]1C[C@H](C(=O)O)C1 CS-0474330 [0,1,0,0,1,0|1,0,0]=3 341 B9R1.95 CCC1CC(C(=O)O)C1 CS-0223200 [0,1,0,0,1,0|1,0,0]=3 342 B9R1.95 CO[C@H]1C[C@@H](C(=O)O)C1 CS-0049699 [0,1,0,0,1,0|0,0,0]=2 343 B9R1.95 N#CC1CC(C(=O)O)C1 CS-0089280 [0,1,0,0,1,0|1,0,0]=3 344 B9R1.95 NC[C@H]1C[C@@H](C(=O)O)C1 CS-0111671 [0,1,0,0,1,0|1,0,0]=3 345 B9R1.95 O=C(O)C1CC(CBr)C1 CS-0183294 [0,1,0,0,1,0|1,0,0]=3 346 B9R1.95 O=C(O)C1CC(CF)C1 CS-0434029 [0,1,0,0,1,0|1,0,0]=3 347 B9R1.95 O=C(O)C1CC(CO)C1 CS-0054679 [0,1,0,0,1,0|0,0,0]=2 348 B9R1.95 O=C(O)[C@H]1C[C@@H](CO)C1 CS-0172829 [0,1,0,0,1,0|0,0,0]=2 349 B9R1.152 C=C1CC(C)(C(=O)O)C1 CS-0052448 [0,1,0,0,1,0|1,0,1]=4 350 B9R1.152 C=C1CC(O)(C(=O)O)C1 CS-0506279 [0,1,0,0,1,0|1,0,1]=4 351 B9R1.152 CC1CC(N)(C(=O)O)C1 CS-0056985 [0,1,0,0,1,0|1,0,0]=3 352 B9R1.152 C[C@H]1C[C@@](N)(C(=O)O)C1 CS-0622946 [0,1,0,0,1,0|1,0,0]=3 353 B9R1.152 C[C@H]1C[C@](N)(C(=O)O)C1 CS-0622947 [0,1,0,0,1,0|1,0,0]=3 354 B9R1.152 C[C@]1(C(=O)O)C[C@@H](N)C1 CS-0049718 [0,1,0,0,1,0|1,0,0]=3 355 B9R1.152 NC1(C(=O)O)CC(=O)C1 CS-0747342 [0,1,0,0,1,0|0,0,2]=4 356 B9R1.152 NC1(C(=O)O)CC(O)C1 CS-0030063 [0,1,0,0,1,0|0,0,0]=2 357 B9R1.152 NC1(C(=O)O)CC(O)C1 CS-0753908 [0,1,0,0,1,0|0,0,0]=2 358 B9R1.152 O=C(O)[C@]1(F)C[C@H](O)C1 CS-0470900 [0,1,0,0,1,0|0,0,0]=2 359 B9R1.152 O=C(O)[C@]1(O)C[C@@H](O)C1 CS-0504589 [0,1,0,0,1,0|0,0,0]=2 360 B9R1.164 C[C@]1(F)C[C@H](C(=O)O)C1 CS-0047787 [0,1,0,0,1,0|1,0,0]=3 361 B9R1.52 C[C@@H]1CN(C)[C@@H]1C(=O)O CS-0648700 [0,1,0,0,1,0|1,0,0]=3 362 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N CS-0055427 [0,1,0,0,1,0|2,0,0]=4 363 B9R1.96 CCC1CCC1C(=O)O CS-0045490 [0,1,0,0,1,0|2,0,0]=4 364 B9R1.96 N#CC1CCC1C(=O)O CS-0051917 [0,1,0,0,1,0|2,0,0]=4 365 B9R1.166 CC1(C)CCC1C(=O)O CS-0045494 [0,1,0,0,1,0|2,0,0]=4 366 B9R1.166 CC1(C)CN[C@@H]1C(=O)O CS-0052346 [0,1,0,0,1,0|1,0,0]=3 367 B9R1.166 CC1(C)CN[C@H]1C(=O)O CS-0522522 [0,1,0,0,1,0|1,0,0]=3 368 B11R1.3 CNC1CCC(C(=O)O)CC1 CS-1055914 [0,1,0,0,0,1|2,0,0]=4 369 B11R1.3 CN[C@H]1CC[C@@H](C(=O)O)CC1 CS-0505549 [0,1,0,0,0,1|2,0,0]=4 370 B11R1.3 COC1CC=C(C(=O)O)CC1 CS-0749726 [0,1,0,0,0,1|1,0,1]=4 371 B11R1.3 CO[C@H]1CC[C@@H](C(=O)O)CC1 CS-0049674 [0,1,0,0,0,1|1,0,0]=3 372 B11R1.3 NCC1CCC(C(=O)O)CC1 CS-0013687 [0,1,0,0,0,1|2,0,0]=4 373 B11R1.3 NC[C@H]1CC[C@@H](C(=O)O)CC1 CS-0332573 [0,1,0,0,0,1|2,0,0]=4 374 B11R1.3 O=C(O)C1CCC(CO)CC1 CS-0186890 [0,1,0,0,0,1|1,0,0]=3 375 B11R1.22 COC(=O)[C@H]1CC[C@H](C)NC1 CS-0503415 [0,1,0,0,0,1|2,0,0]=4 376 B11R1.220 CC1(C(=O)O)CCC(O)CC1 CS-0493752 [0,1,0,0,0,1|1,0,0]=3 377 B11R1.727 CC1(C)CCC(C(=O)O)CC1 CS-0186904 [0,1,0,0,0,1|2,0,0]=4 378 B11R1.727 CC1(C)CCC(C(=O)O)CO1 CS-0531042 [0,1,0,0,0,1|2,0,0]=4 379 B11R1.727 CC1(C)CN[C@@H](C(=O)O)CO1 CS-0199876 [0,1,0,0,0,1|1,0,0]=3 380 B11R1.727 CC1(C)CN[C@H](C(=O)O)CO1 CS-0172867 [0,1,0,0,0,1|1,0,0]=3 381 B11R1.727 CC1(C)COC(C(=O)O)CO1 CS-0477767 [0,1,0,0,0,1|2,0,0]=4 382 B11R1.727 CC1(O)CCC(C(=O)O)CC1 CS-0127600 [0,1,0,0,0,1|1,0,0]=3 383 B11R1.727 O=C(O)C1CCC(F)(F)CN1 CS-0050734 [0,1,0,0,0,1|1,0,0]=3 384 B11R1.39 COC(=O)C[C@@H]1CC[C@@H](O)C1 CS-0057995 [0,1,0,0,0,1|1,0,0]=3 385 B11R1.39 COC(=O)C[C@@H]1CC[C@H](O)C1 CS-0057994 [0,1,0,0,0,1|1,0,0]=3 386 B11R1.645 O=C(O)CN1C[C@@H](O)CC1=O CS-0170882 [0,1,0,0,0,1|2,0,0]=4 387 B11R1.23 COC(=O)C1CCNC(C)C1 CS-0502874 [0,1,0,0,0,1|2,0,0]=4 388 B11R1.23 COC(=O)C1CNCC(F)C1 CS-0310252 [0,1,0,0,0,1|1,0,0]=3 389 B11R1.23 COC(=O)C1COCC(O)C1 CS-0048976 [0,1,0,0,0,1|1,0,0]=3 390 B11R1.23 COC(=O)[C@@H]1CCC[C@@H](N)C1 CS-0058035 [0,1,0,0,0,1|2,0,0]=4 391 B11R1.23 COC(=O)[C@@H]1CCC[C@@H](N)C1 CS-0638746 [0,1,0,0,0,1|2,0,0]=4 392 B11R1.23 COC(=O)[C@@H]1CCC[C@@H](O)C1 CS-0368639 [0,1,0,0,0,1|1,0,0]=3 393 B11R1.23 COC(=O)[C@@H]1CCC[C@H](N)C1 CS-0058272 [0,1,0,0,0,1|2,0,0]=4 394 B11R1.23 COC(=O)[C@@H]1CCC[C@H](N)C1 CS-0506749 [0,1,0,0,0,1|2,0,0]=4 395 B11R1.23 COC(=O)[C@@H]1CCC[C@H](O)C1 CS-0782170 [0,1,0,0,0,1|1,0,0]=3 396 B11R1.23 COC(=O)[C@@H]1CCN[C@H](C)C1 CS-0368670 [0,1,0,0,0,1|2,0,0]=4 397 B11R1.23 COC(=O)[C@@H]1C[C@H](O)CCN1 CS-0061794 [0,1,0,0,0,1|0,0,0]=2 398 B11R1.23 COC(=O)[C@H]1CCC[C@@H](N)C1 CS-0493754 [0,1,0,0,0,1|2,0,0]=4 399 B11R1.23 COC(=O)[C@H]1CCC[C@H](N)C1 CS-0049301 [0,1,0,0,0,1|2,0,0]=4 400 B11R1.23 COC(=O)[C@H]1CCC[C@H](N)C1 CS-0141823 [0,1,0,0,0,1|2,0,0]=4 401 B11R1.23 COC(=O)[C@H]1CCC[C@H](O)C1 CS-0434721 [0,1,0,0,0,1|1,0,0]=3 402 B11R1.74 CC1CC(C(=O)O)CC(C)O1 CS-0212744 [0,1,0,0,0,1|2,0,0]=4 403 B11R1.74 CC1CC(C)CC(C(=O)O)C1 CS-0232870 [0,1,0,0,0,1|2,0,0]=4 404 B11R1.74 C[C@@H]1C[C@H](C(=O)O)C[C@H](C)C1 CS-0172828 [0,1,0,0,0,1|2,0,0]=4 405 B11R1.266 CCC1CC(C(=O)O)CCO1 CS-0232318 [0,1,0,0,0,1|2,0,0]=4 406 B11R1.266 COC1CCCC(C(=O)O)C1 CS-W021955 [0,1,0,0,0,1|1,0,0]=3 407 B11R1.266 O=C(O)C1CCCC(CO)C1 CS-0506685 [0,1,0,0,0,1|1,0,0]=3 408 B11R1.730 O=C(O)C1CCCC(F)(F)C1 CS-0070891 [0,1,0,0,0,1|2,0,0]=4 409 B11R1.730 O=C(O)C1CNCC(F)(F)C1 CS-0502429 [0,1,0,0,0,1|1,0,0]=3 410 B11R1.730 O=C(O)[C@@H]1CCCC(F)(F)C1 CS-0497431 [0,1,0,0,0,1|2,0,0]=4 411 B11R1.730 O=C(O)[C@H]1CCCC(F)(F)C1 CS-0497430 [0,1,0,0,0,1|2,0,0]=4 412 B11R1.15 CCOC(=O)C1CC(O)CO1 CS-0699084 [0,2,0,0,0,0|1,0,0]=3 413 B11R1.15 CCOC(=O)C1CCC(N)C1 CS-0299699 [0,2,0,0,0,0|2,0,0]=4 414 B11R1.15 CCOC(=O)[C@@H]1C[C@@H](C)CN1 CS-0488165 [0,2,0,0,0,0|1,0,0]=3 415 B11R1.15 CCOC(=O)[C@H]1C[C@H](F)CN1 CS-0049563 [0,2,0,0,0,0|1,0,0]=3 416 B11R1.44 C#CC1CCC(C(=O)OC)C1 CS-0163105 [0,2,0,0,0,0|2,0,0]=4 417 B11R1.44 COC(=O)[C@@H]1C[C@@H](OC)CN1 CS-0217431 [0,2,0,0,0,0|0,0,0]=2 418 B11R1.226 COC(=O)[C@@H]1C[C@@H](O)C(=O)N1 CS-0058122 [0,2,0,0,0,0|0,0,1]=3 419 B11R1.226 COC(=O)[C@@H]1C[C@H](O)C(=O)N1 CS-0058123 [0,2,0,0,0,0|0,0,1]=3 420 B11R1.866 COC(=O)C1CC(F)(F)CN1 CS-0508378 [0,2,0,0,0,0|1,0,0]=3 421 B11R1.885 COC(=O)C1(C)CC(F)CN1 CS-0951768 [0,2,0,0,0,0|1,0,0]=3 422 B11R1.50 CO[C@@H]1C[C@@H]([C@H](C)O)N(C)C1 CS-0867808 [0,2,0,0,0,0|1,0,1]=4 423 B11R1.50 CO[C@H]1C[C@H](C(=O)O)N(C)C1 CS-0049618 [0,2,0,0,0,0|0,0,0]=2 424 B11R1.124 C#CC[C@H]1CN[C@H](C(=O)O)C1 CS-0362825 [0,2,0,0,0,0|1,0,0]=3 425 B11R1.1229 CCC1CCC(O)(C(=O)O)C1 CS-0251077 [0,2,0,0,0,0|2,0,0]=4 426 B11R1.488 CN1CC(F)(F)CC1C(=O)O CS-0500545 [0,2,0,0,0,0|1,0,0]=3 427 B9R1.5 CC1NCCCNC1=O CS-0236782 [0,0,1,1,0,0|2,0,0]=4 428 B9R1.5 C[C@@H]1NCCCNC1=O CS-0491385 [0,0,1,1,0,0|2,0,0]=4 429 B9R1.5 C[C@H]1NCCCNC1=O CS-0491384 [0,0,1,1,0,0|2,0,0]=4 430 B9R1.6 NC(=O)C1CNCCN1 CS-0672837 [0,0,1,1,0,0|2,0,0]=4 431 B9R1.6 NC(=O)C1CNCCN1 CS-0683403 [0,0,1,1,0,0|2,0,0]=4 432 B9R1.6 NC(=O)C1COCCN1 CS-0225595 [0,0,1,1,0,0|1,0,0]=3 433 B9R1.6 NC(=O)C1CSCCN1 CS-0308503 [0,0,1,1,0,0|1,1,0]=4 434 B9R1.6 NC(=O)[C@H]1COCCN1 CS-0540069 [0,0,1,1,0,0|1,0,0]=3 435 B9R1.6 O=C(O)C1CCCNN1 CS-0758014 [0,0,1,1,0,0|2,0,0]=4 436 B9R1.6 O=C(O)C1CCCSC1 CS-0047855 [0,0,1,1,0,0|1,1,0]=4 437 B9R1.6 O=C(O)[C@@H]1CCCNN1 CS-0436367 [0,0,1,1,0,0|2,0,0]=4 438 B9R1.6 O=C(O)[C@@H]1CCCOC1 CS-0506723 [0,0,1,1,0,0|1,0,0]=3 439 B9R1.6 O=C(O)[C@H]1CCCCO1 CS-0053479 [0,0,1,1,0,0|2,0,0]=4 440 B9R1.6 O=C(O)[C@H]1CCCOC1 CS-0310405 [0,0,1,1,0,0|1,0,0]=3 441 B9R1.6 O=C(O)[C@H]1CNCCN1 CS-0511097 [0,0,1,1,0,0|1,0,0]=3 442 B9R1.6 O=C(O)[C@H]1CSCCN1 CS-0005338 [0,0,1,1,0,0|0,1,0]=3 443 B9R1.1 NCC1CCC(=O)NC1 CS-0050767 [0,0,1,1,0,0|2,0,0]=4 444 B9R1.86 CCC1CC1CC(=O)O CS-0451400 [0,0,1,1,0,0|2,0,0]=4 445 B9R1.127 CCC1(C)CC1C(=O)O CS-0230913 [0,0,1,1,0,0|2,0,0]=4 446 B9R1.15 CN[C@@H]1CCOC[C@H]1O CS-1057081 [0,0,1,1,0,0|1,0,1]=4 447 B9R1.116 CCC(C(=O)O)C1CC1 CS-0254254 [0,0,1,1,0,0|2,0,0]=4 448 B9R1.116 CSC(C(=O)O)C1CC1 CS-0249111 [0,0,1,1,0,0|2,0,0]=4 449 B9R1.119 COC1(C(=O)O)CCC1 CS-0309800 [0,0,1,1,0,0|2,0,0]=4 450 B9R1.119 CSC1(C(=O)O)CCC1 CS-0072597 [0,0,1,1,0,0|2,0,0]=4 451 B9R1.179 NCCC1(C(=O)O)CC1 CS-0052917 [0,0,1,1,0,0|2,0,0]=4 452 B9R1.179 O=C(O)C1(CCO)CC1 CS-0515273 [0,0,1,1,0,0|1,0,0]=3 453 B9R1.36 CC1(C)CC(N)C(=O)O1 CS-0223770 [0,0,1,1,0,0|1,0,0]=3 454 B9R1.53 NC1CC(CC(=O)O)C1 CS-0052288 [0,0,1,1,0,0|2,0,0]=4 455 B9R1.53 NC1CC(CC(=O)O)C1 CS-0185088 [0,0,1,1,0,0|2,0,0]=4 456 B9R1.53 N[C@H]1C[C@@H](CC(=O)O)C1 CS-0049761 [0,0,1,1,0,0|2,0,0]=4 457 B9R1.53 N[C@H]1C[C@H](CC(=O)O)C1 CS-0185072 [0,0,1,1,0,0|2,0,0]=4 458 B9R1.53 O=C(O)CN1CC(O)C1 CS-0224972 [0,0,1,1,0,0|0,0,0]=2 459 B9R1.53 O=C(O)C[C@H]1C[C@@H](O)C1 CS-0501629 [0,0,1,1,0,0|1,0,0]=3 460 B9R1.53 O=C(O)C[C@H]1C[C@H](F)C1 CS-0628869 [0,0,1,1,0,0|2,0,0]=4 461 B9R1.53 O=C(O)C[C@H]1C[C@H](O)C1 CS-0501630 [0,0,1,1,0,0|1,0,0]=3 462 B9R1.85 O=C(O)CCCC1CC1 CS-0262959 [0,0,1,1,0,0|2,0,0]=4 463 B9R1.85 O=C(O)COCC1CC1 CS-0216339 [0,0,1,1,0,0|2,0,0]=4 464 B9R1.85 O=C(O)CSCC1CC1 CS-0316785 [0,0,1,1,0,0|2,0,0]=4 465 B9R2.39 O=C1NC2CNC1C2 CS-0492703 [1,0,0,1,0,0|1,0,0]=3 466 B9R2.39 O=C1N[C@@H]2CC[C@H]1C2 CS-0131291 [1,0,0,1,0,0|2,0,0]=4 467 B9R2.39 O=C1N[C@@H]2CN[C@H]1C2 CS-0455963 [1,0,0,1,0,0|1,0,0]=3 468 B9R2.39 O=C1N[C@H]2CN[C@@H]1C2 CS-0779346 [1,0,0,1,0,0|1,0,0]=3 469 B9R2.39 OC1CC2CNC1C2 CS-0052046 [1,0,0,1,0,0|1,0,1]=4 470 B9R2.39 O[C@@H]1C[C@@H]2CC[C@H]1N2 CS-0053632 [1,0,0,1,0,0|1,0,1]=4 471 B9R2.39 O[C@H]1C[C@@H]2CC[C@H]1N2 CS-0053625 [1,0,0,1,0,0|1,0,1]=4 472 B9R2.39 O[C@H]1C[C@@H]2CN[C@H]1C2 CS-0309642 [1,0,0,1,0,0|1,0,1]=4 473 B9R2.39 [C@@H]12C[C@@H](CN1)C[C@@H]2O CS-0878876 [1,0,0,1,0,0|1,0,1]=4 474 B9R2.47 [C@H]12C[C@H]1C[C@H](CO)N2 CS-1056904 [1,0,0,1,0,0|1,0,1]=4 475 B9R2.70 [C@@H]12CN[C@H](CO)[C@@H]1C2 CS-0053080 [1,0,0,1,0,0|1,0,1]=4 476 B9R2.70 [C@H]12C[C@H]1CN[C@@H]2CO CS-0053567 [1,0,0,1,0,0|1,0,1]=4 477 B9R2.7 [C@H]12CCC[C@H]1C(=O)N2 CS-0130631 [1,0,0,1,0,0|2,0,0]=4 478 B9R2.7 [C@H]12CCC[C@H]1NC2=O CS-0130629 [1,0,0,1,0,0|2,0,0]=4 479 B9R2.19 O=C1NCC2CC1N2 CS-0858546 [0,0,0,1,1,0|2,0,0]=4 480 B11R2.1839 O=C(O)C12CCC(CC1)O2 CS-0309734 [0,0,0,1,0,1|1,0,0]=3 481 B11R2.845 O=C(O)C1NC2CCC1C2 CS-0054883 [0,0,0,1,0,1|2,0,0]=4 482 B11R2.845 O=C(O)[C@@H]1C[C@@H]2CC[C@H]1C2 CS-0503598 [0,0,0,1,0,1|2,0,0]=4 483 B11R2.845 O=C(O)[C@H]1C[C@@H]2CC[C@H]1C2 CS-0310479 [0,0,0,1,0,1|2,0,0]=4 484 B11R2.845 O=C(O)[C@H]1N[C@@H]2CC[C@H]1C2 CS-0053613 [0,0,0,1,0,1|2,0,0]=4 485 B11R2.1826 O=C(O)C12CC(CCN1)C2 CS-0052035 [0,0,0,1,0,1|1,0,0]=3 486 B11R2.1826 O=C(O)C12CNCC(C1)C2 CS-0447659 [0,0,0,1,0,1|1,0,0]=3 487 B11R2.901 COC(=O)C12CC(CN1)C2 CS-0057641 [0,1,0,1,0,0|1,0,0]=3 488 B11R2.911 COC(=O)[C@H]1NC[C@H]2C[C@H]21 CS-0049311 [0,1,0,1,0,0|1,0,0]=3 489 B11R2.911 [C@@H]12CN[C@@H](C(=O)OC)[C@@H]1C2 CS-0054893 [0,1,0,1,0,0|1,0,0]=3 490 B11R2.201 O=C1OC(=O)C2CCC1C2 CS-0223296 [0,1,0,1,0,0|1,0,1]=4 491 B11R2.842 O=C(O)C1CC2CCC2C1 CS-0654838 [0,1,0,1,0,0|2,0,0]=4 492 B11R2.1868 O=C(O)[C@@H]1CC2(CC2)CN1 CS-0056689 [0,1,0,1,0,0|1,0,0]=3 493 B11R2.1868 O=C(O)[C@H]1CC2(CC2)CN1 CS-0375695 [0,1,0,1,0,0|1,0,0]=3 494 B11R2.2454 CC12COC(C(=O)O)(C1)C2 CS-0134113 [0,1,0,1,0,0|2,0,0]=4 495 B7R0.16 CC(Br)C(Br)C(=O)O CS-0454034 [0,0,1,0,1,0|2,0,0]=4 496 B7R0.16 CC(C)[C@@H](C)C(=O)O CS-0273260 [0,0,1,0,1,0|2,0,0]=4 497 B7R0.16 CC(C)[C@H](C)C(=O)O CS-0447089 [0,0,1,0,1,0|2,0,0]=4 498 B7R0.16 CC(F)C(N)C(=O)O CS-0272279 [0,0,1,0,1,0|1,0,0]=3 499 B7R0.16 C[C@@H](N)[C@H](N)C(=O)O CS-0257726 [0,0,1,0,1,0|1,0,0]=3 500 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O CS-0031502 [0,0,1,0,1,0|0,0,0]=2 501 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O CS-0668310 [0,0,1,0,1,0|0,0,0]=2 502 B7R1.8 OC[C@H]1CC[C@H]1O CS-0499615 [1,0,0,0,1,0|1,0,1]=4 503 B7R1.10 CO[C@H]1C[C@@H](O)C1 CS-0183124 [1,0,0,0,1,0|2,0,0]=4 504 B7R1.10 CO[C@H]1C[C@H](O)C1 CS-0139369 [1,0,0,0,1,0|2,0,0]=4 505 B7R1.10 N#C[C@H]1C[C@@H](O)C1 CS-0147033 [1,0,0,0,1,0|1,0,1]=4 506 B7R1.10 N#C[C@H]1C[C@H](O)C1 CS-0172851 [1,0,0,0,1,0|1,0,1]=4 507 B7R1.10 NCC1CC(O)C1 CS-0053792 [1,0,0,0,1,0|1,0,1]=4 508 B7R1.10 NC[C@H]1C[C@H](O)C1 CS-0053933 [1,0,0,0,1,0|1,0,1]=4 509 B7R1.10 N[C@H]1C[C@@H](CO)C1 CS-0053863 [1,0,0,0,1,0|1,0,1]=4 510 B7R1.10 N[C@H]1C[C@H](CO)C1 CS-0045535 [1,0,0,0,1,0|1,0,1]=4 511 B7R1.10 N[C@H]1C[C@H](CO)C1 CS-0055246 [1,0,0,0,1,0|1,0,1]=4 512 B7R1.10 OC1CC(CBr)C1 CS-0501424 [1,0,0,0,1,0|1,0,1]=4 513 B7R1.10 O[C@H]1C[C@@H](CF)C1 CS-0504579 [1,0,0,0,1,0|1,0,1]=4 514 B7R1.18 CC(=O)C1CNC1 CS-0469799 [1,0,0,0,1,0|2,0,0]=4 515 B7R1.18 C[C@@H](O)C1CCC1 CS-0144928 [1,0,0,0,1,0|1,0,1]=4 516 B7R1.18 NC(=O)C1CCN1 CS-0005435 [1,0,0,0,1,0|1,0,0]=3 517 B7R1.18 NC(=O)C1CCN1 CS-0718838 [1,0,0,0,1,0|1,0,0]=3 518 B7R1.18 NC(=O)[C@@H]1CCN1 CS-0614448 [1,0,0,0,1,0|1,0,0]=3 519 B7R1.18 NC(=O)[C@@H]1CCN1 CS-1046018 [1,0,0,0,1,0|1,0,0]=3 520 B7R1.18 O=C(O)C1CCN1 CS-0271917 [1,0,0,0,1,0|0,0,0]=2 521 B7R1.18 O=C(O)C1CSC1 CS-0045516 [1,0,0,0,1,0|1,0,0]=3 522 B7R1.18 O=C(O)[C@@H]1CCN1 CS-0171605 [1,0,0,0,1,0|0,0,0]=2 523 B7R1.18 O=C(O)[C@H]1CCO1 CS-0148271 [1,0,0,0,1,0|1,0,0]=3 524 B7R1.18 O=S([O-])C1CCC1 CS-0777241 [1,0,0,0,1,0|1,0,1]=4 525 B7R1.18 O=[N+]([O-])C1CCC1 CS-0309116 [1,0,0,0,1,0|1,0,1]=4 526 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O CS-0055686 [0,0,0,0,2,0|1,0,0]=3 527 B7R1.12 C[C@@H]1C[C@H]1C(=O)O CS-0308589 [0,0,0,0,2,0|1,0,0]=3 528 B7R1.12 NC(=O)[C@@H]1C[C@@H]1F CS-0443821 [0,0,0,0,2,0|2,0,0]=4 529 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I CS-0043217 [0,0,0,0,2,0|1,0,0]=3 530 B7R1.12 O=C(O)[C@H]1C[C@H]1I CS-0016517 [0,0,0,0,2,0|1,0,0]=3 531 B9R0.14 CCCC(CC)CC(=O)O CS-0698415 [0,0,1,0,0,1|2,0,0]=4 532 B9R1.2 CC1CC(C=O)CCO1 CS-0232409 [1,0,0,0,0,1|2,0,0]=4 533 B9R1.13 CC(=O)CC1CCCO1 CS-0256509 [1,0,0,0,0,1|2,0,0]=4 534 B9R1.13 NC(=O)CC1CCCN1 CS-0225687 [1,0,0,0,0,1|1,0,0]=3 535 B9R1.13 O=C(O)CC1CCNC1 CS-0155221 [1,0,0,0,0,1|2,0,0]=4 536 B9R1.13 O=C(O)C[C@H]1CCNC1 CS-0057281 [1,0,0,0,0,1|2,0,0]=4 537 B9R1.13 O=C(O)C[C@H]1CCOC1 CS-0054371 [1,0,0,0,0,1|2,0,0]=4 538 B11R1.20 CC(=O)NC1CCC(O)CC1 CS-0116732 [0,0,0,0,0,2|2,0,0]=4 539 B11R1.20 CC(=O)OC1CCC(O)CC1 CS-0257779 [0,0,0,0,0,2|2,0,0]=4 540 B11R1.20 C[C@H]1CC[C@H](CC(=O)O)CC1 CS-0170851 [0,0,0,0,0,2|2,0,0]=4 541 B11R1.20 NC1CCC(CC(=O)O)CC1 CS-0100458 [0,0,0,0,0,2|2,0,0]=4 542 B11R1.20 N[C@H]1CC[C@@H](CC(=O)O)CC1 CS-0476419 [0,0,0,0,0,2|2,0,0]=4 543 B11R1.20 N[C@H]1CC[C@H](CC(=O)O)CC1 CS-0039017 [0,0,0,0,0,2|2,0,0]=4 544 B11R1.20 O=C(O)CN1CCC(O)CC1 CS-0068192 [0,0,0,0,0,2|2,0,0]=4 545 B11R1.20 O=C(O)C[C@H]1CC[C@@H](O)CC1 CS-0475731 [0,0,0,0,0,2|1,0,0]=3 546 B11R1.565 CC1CCCC(C(=O)O)CC1 CS-0244953 [0,0,0,0,0,2|2,0,0]=4 547 B11R1.497 CC(=O)N1CCNCC(O)C1 CS-0742513 [0,0,0,0,0,2|2,0,0]=4