0 B8R0.9 C=C[C@H](N)CCC(=O)O CS-0545843 [0,0,0,0,0,0|0,0,0]=0 1 B8R0.9 CCC(C)CCC(=O)O CS-0199329 [0,0,0,0,0,0|1,0,2]=3 2 B8R0.9 CCC(C)OCC(=O)O CS-0223500 [0,0,0,0,0,0|2,0,2]=4 3 B8R0.9 CCN(C)CCC(=O)O CS-0217514 [0,0,0,0,0,0|2,0,2]=4 4 B8R0.9 CCS(=O)CCC(=O)O CS-0334302 [0,0,0,0,0,0|2,0,2]=4 5 B8R0.9 CNC(=O)CCC(=O)O CS-0231377 [0,0,0,0,0,0|2,0,2]=4 6 B8R0.9 NCC(=O)CCC(=O)O CS-1045786 [0,0,0,0,0,0|2,0,2]=4 7 B8R0.9 O=C(O)CCC(=O)NO CS-0158394 [0,0,0,0,0,0|3,0,1]=4 8 B7R0.4 C#CCCCC(N)=O CS-0759267 [1,0,0,0,0,0|1,0,2]=4 9 B7R0.4 C#CCNCC(=O)O CS-0343178 [1,0,0,0,0,0|1,0,2]=4 10 B7R0.4 C=CCCOC(C)=O CS-0206024 [1,0,0,0,0,0|2,0,0]=3 11 B7R0.4 C=CCNCC(=C)Br CS-0232430 [1,0,0,0,0,0|3,0,0]=4 12 B7R0.4 C=CCNCC(=O)O CS-0170873 [1,0,0,0,0,0|1,0,0]=2 13 B7R0.4 C=CCSCC(=O)O CS-0216467 [1,0,0,0,0,0|1,0,0]=2 14 B7R0.4 CC(=O)CCCC#N CS-0446855 [1,0,0,0,0,0|2,0,1]=4 15 B7R0.4 CCOCCC(=O)O CS-0216898 [1,0,0,0,0,0|1,0,2]=4 16 B7R0.4 CCSCCC(=O)O CS-0249654 [1,0,0,0,0,0|1,0,2]=4 17 B7R0.4 CSCCCC(=O)O CS-0261815 [1,0,0,0,0,0|1,0,1]=3 18 B7R0.4 CSCCCC(C)=O CS-0459306 [1,0,0,0,0,0|2,0,1]=4 19 B7R0.4 NC(=O)CCCCO CS-0236568 [1,0,0,0,0,0|2,0,1]=4 20 B7R0.4 NCCCCC(=O)O CS-0214159 [1,0,0,0,0,0|1,0,1]=3 21 B7R0.4 NCCCCC(N)=O CS-0112084 [1,0,0,0,0,0|2,0,1]=4 22 B7R0.4 NCCOCC(=O)O CS-0162340 [1,0,0,0,0,0|2,0,1]=4 23 B7R0.4 O=CNCCC(=O)O CS-0512115 [1,0,0,0,0,0|2,0,0]=3 24 B7R0.6 CC(C)NCC(=O)O CS-0246606 [1,0,0,0,0,0|2,0,1]=4 25 B7R0.6 CC(N)CCC(=O)O CS-0262263 [1,0,0,0,0,0|0,0,1]=2 26 B7R0.6 CN(C)CCC(=O)O CS-0098123 [1,0,0,0,0,0|2,0,1]=4 27 B7R0.6 C[C@H](N)CCC(=O)O CS-0526945 [1,0,0,0,0,0|0,0,1]=2 28 B7R0.6 N=C(N)SCC(=O)O CS-0327029 [1,0,0,0,0,0|2,0,1]=4 29 B7R0.6 NC(=O)CCC(=O)O CS-0094544 [1,0,0,0,0,0|1,0,1]=3 30 B7R0.6 O=C(O)CCC(=O)O CS-0504137 [1,0,0,0,0,0|2,0,1]=4 31 B9R0.7 CC(=O)N(C)CCC(=O)O CS-0212568 [0,1,0,0,0,0|2,0,1]=4 32 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O CS-0199359 [0,1,0,0,0,0|3,0,0]=4 33 B9R0.7 NC(=O)CC[C@H](N)C(N)=O CS-0208880 [0,1,0,0,0,0|2,0,0]=3 34 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O CS-0208769 [0,1,0,0,0,0|1,0,0]=2 35 B9R0.7 NC(=O)[C@H](N)CCC(=O)O CS-0196933 [0,1,0,0,0,0|1,0,0]=2 36 B9R0.7 NC(=O)[C@H](N)CCC(=O)O CS-0209066 [0,1,0,0,0,0|1,0,0]=2 37 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O CS-0201583 [0,1,0,0,0,0|1,0,0]=2 38 B9R0.7 O=C(O)CCC(=O)C(=O)O CS-0167214 [0,1,0,0,0,0|2,0,1]=4 39 B9R0.7 O=C(O)CCC(=O)C(=O)O CS-0912437 [0,1,0,0,0,0|2,0,1]=4 40 B9R0.7 O=C(O)CC[C@H](Cl)C(=O)O CS-0697917 [0,1,0,0,0,0|2,0,0]=3 41 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O CS-0162444 [0,1,0,0,0,0|1,0,2]=4 42 B9R0.24 CCC(O)CCC(=O)O[Na] CS-0620476 [0,1,0,0,0,0|1,0,2]=4 43 B9R0.42 CCC(C)CC(O)C(=O)O CS-0295593 [0,1,0,0,0,0|1,0,2]=4 44 B9R1.35 NC1C=CC(C(=O)O)C1 CS-0221822 [0,0,0,1,0,0|0,0,0]=1 45 B9R1.35 N[C@@H]1C=C[C@H](C(=O)O)C1 CS-0058611 [0,0,0,1,0,0|0,0,0]=1 46 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 CS-0086849 [0,0,0,1,0,0|0,0,2]=3 47 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 CS-0183313 [0,0,0,1,0,0|0,0,2]=3 48 B9R1.35 N[C@@H]1CN[C@H](C(=O)O)C1 CS-0447648 [0,0,0,1,0,0|1,0,1]=3 49 B9R1.35 N[C@H]1C=C[C@@H](C(=O)O)C1 CS-0157299 [0,0,0,1,0,0|0,0,0]=1 50 B9R1.35 N[C@H]1C=C[C@@H](C(=O)O)C1 CS-0438275 [0,0,0,1,0,0|0,0,0]=1 51 B9R1.35 O=C(O)C1CC(F)CN1 CS-0472753 [0,0,0,1,0,0|2,0,1]=4 52 B9R1.35 O=C(O)C1CC(O)CN1 CS-0454925 [0,0,0,1,0,0|2,0,1]=4 53 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 CS-0001911 [0,0,0,1,0,0|2,0,1]=4 54 B9R1.35 O=C(O)[C@@H]1C[C@H](S)CN1 CS-0053409 [0,0,0,1,0,0|2,0,1]=4 55 B9R1.35 O=C(O)[C@H]1C[C@H](F)CN1 CS-0055610 [0,0,0,1,0,0|2,0,1]=4 56 B9R1.69 CC1CCC(=O)NC1=O CS-0061420 [0,0,0,1,0,0|3,0,0]=4 57 B9R1.69 NC1CCC(=O)NC1=O CS-0162424 [0,0,0,1,0,0|2,0,0]=3 58 B9R1.69 N[C@@H]1CCC(=O)NC1=O CS-0129554 [0,0,0,1,0,0|2,0,0]=3 59 B9R1.95 COC1CC(C(=O)O)C1 CS-0051288 [0,0,0,1,0,0|2,0,1]=4 60 B9R1.95 CO[C@H]1C[C@H](C(=O)O)C1 CS-0047777 [0,0,0,1,0,0|2,0,1]=4 61 B9R1.95 NCC1CC(C(=O)O)C1 CS-0045468 [0,0,0,1,0,0|2,0,1]=4 62 B7R0.2 C=CC(C)CC(=O)O CS-0243291 [0,0,0,0,1,0|1,0,0]=2 63 B7R0.2 CC(CN)CC(=O)O CS-0020588 [0,0,0,0,1,0|2,0,1]=4 64 B7R0.2 CCC(N)CC(=O)O CS-0172209 [0,0,0,0,1,0|0,0,2]=3 65 B7R0.2 CC[C@@H](N)CC(=O)O CS-0172026 [0,0,0,0,1,0|0,0,2]=3 66 B7R0.2 CC[C@H](N)CC(=O)O CS-0153929 [0,0,0,0,1,0|0,0,2]=3 67 B7R0.2 CC[C@H](N)CC(=O)O CS-0172024 [0,0,0,0,1,0|0,0,2]=3 68 B7R0.2 COC(C)CC(=O)O CS-0216817 [0,0,0,0,1,0|2,0,1]=4 69 B7R0.2 CSC(C)CC(=O)O CS-0224328 [0,0,0,0,1,0|2,0,1]=4 70 B7R0.2 NCC(N)CC(=O)O CS-0260960 [0,0,0,0,1,0|1,0,1]=3 71 B7R0.2 NCC(O)CC(=O)O CS-0013138 [0,0,0,0,1,0|2,0,1]=4 72 B6R0.1 C=CC(O)CCC CS-0188333 [2,0,0,0,0,0|1,0,1]=4 73 B6R0.1 C=CCC(O)C=C CS-0230804 [2,0,0,0,0,0|1,0,1]=4 74 B6R0.4 C=CCCB(O)O CS-0175018 [2,0,0,0,0,0|1,0,1]=4 75 B6R0.4 C=CCC[C@@H](C)O CS-0179239 [2,0,0,0,0,0|1,0,1]=4 76 B6R0.4 C=CCC[C@H](C)O CS-0246373 [2,0,0,0,0,0|1,0,1]=4 77 B6R0.4 C=C\C=C\C(=O)O CS-0199455 [2,0,0,0,0,0|0,0,2]=4 78 B6R0.4 CC(=O)CCCBr CS-0103669 [2,0,0,0,0,0|2,0,0]=4 79 B6R0.4 CC(=O)NCCN CS-W013694 [2,0,0,0,0,0|2,0,0]=4 80 B6R0.4 CC(=O)SCCN CS-0256575 [2,0,0,0,0,0|2,0,0]=4 81 B6R0.4 CC(=O)SCCN CS-0680538 [2,0,0,0,0,0|2,0,0]=4 82 B6R0.4 CCCCC(=O)Br CS-0185634 [2,0,0,0,0,0|1,0,1]=4 83 B6R0.4 CCCCC(N)=O CS-0206049 [2,0,0,0,0,0|1,0,1]=4 84 B6R0.4 CCNCC(=O)O CS-0250575 [2,0,0,0,0,0|1,0,1]=4 85 B6R0.4 NC(=O)CCCCl CS-0660671 [2,0,0,0,0,0|2,0,0]=4 86 B6R0.4 NC(=O)CCCO CS-0678691 [2,0,0,0,0,0|2,0,0]=4 87 B6R0.4 NCCCC(=O)O CS-0259736 [2,0,0,0,0,0|0,0,0]=2 88 B6R0.4 NCCNC(N)=O CS-0806746 [2,0,0,0,0,0|2,0,0]=4 89 B6R0.4 NCCOC(N)=O CS-0231941 [2,0,0,0,0,0|2,0,0]=4 90 B6R0.4 O=C(O)CCCI CS-0045052 [2,0,0,0,0,0|1,0,0]=3 91 B6R0.6 C=CCCCC#N CS-0327133 [2,0,0,0,0,0|1,0,1]=4 92 B6R0.6 C=CCCCCCl CS-0267298 [2,0,0,0,0,0|1,0,1]=4 93 B6R0.6 C=CCCCCN CS-0769784 [2,0,0,0,0,0|1,0,1]=4 94 B6R0.6 C=CCNCC=C CS-W011074 [2,0,0,0,0,0|2,0,0]=4 95 B8R0.5 C#CC[C@H](N)CC(=O)O CS-0327779 [1,1,0,0,0,0|0,0,2]=4 96 B8R0.5 C=CC[C@@H](N)CC(=O)O CS-0158035 [1,1,0,0,0,0|0,0,0]=2 97 B8R0.5 CCCC(C)CC(=O)O CS-0700565 [1,1,0,0,0,0|0,0,2]=4 98 B8R0.7 C=CCCCOC(C)=O CS-0320872 [1,1,0,0,0,0|1,0,0]=3 99 B8R0.7 C=CCCOCC(=O)O CS-0251653 [1,1,0,0,0,0|0,0,0]=2 100 B8R0.7 C=CCOCCC(=O)O CS-0120005 [1,1,0,0,0,0|0,0,0]=2 101 B8R0.7 CCCCSCC(=O)O CS-0246194 [1,1,0,0,0,0|0,0,2]=4 102 B8R0.7 CCCSCCC(=O)O CS-0259094 [1,1,0,0,0,0|0,0,2]=4 103 B8R0.7 CCOCCCC(=O)O CS-0248539 [1,1,0,0,0,0|0,0,2]=4 104 B8R0.7 COCCSCC(=O)O CS-0246660 [1,1,0,0,0,0|1,0,1]=4 105 B8R0.7 CSCCNCC(=O)O CS-1044942 [1,1,0,0,0,0|1,0,1]=4 106 B8R0.7 N#CCCNCC(=O)O CS-0201685 [1,1,0,0,0,0|1,0,1]=4 107 B8R0.7 NCCNCCC(=O)O CS-0222785 [1,1,0,0,0,0|1,0,1]=4 108 B8R0.7 O=C(O)CCNCCO CS-0161280 [1,1,0,0,0,0|1,0,1]=4 109 B8R0.21 C=CCCCS(N)(=O)=O CS-0139253 [1,1,0,0,0,0|1,0,1]=4 110 B8R0.28 C=C(C)CCCC(=O)O CS-0235951 [1,1,0,0,0,0|0,0,0]=2 111 B8R0.28 CC(C)CCCC(=O)O CS-0096310 [1,1,0,0,0,0|0,0,2]=4 112 B8R0.28 NC(=O)CSCC(=O)O CS-0246637 [1,1,0,0,0,0|2,0,0]=4 113 B8R0.28 O=C([O-])CCCC(=O)[O-] CS-0445047 [1,1,0,0,0,0|1,0,1]=4 114 B8R0.23 C=C(Br)C[C@H](N)C(=O)O CS-0196813 [1,1,0,0,0,0|1,0,1]=4 115 B8R0.23 C=C(C)C[C@@H](N)C(=O)O CS-0504381 [1,1,0,0,0,0|1,0,1]=4 116 B8R0.23 C=C(C)C[C@H](N)C(=O)O CS-0040778 [1,1,0,0,0,0|1,0,1]=4 117 B8R0.23 CC(C)C(C)CC(=O)O CS-0217045 [1,1,0,0,0,0|1,0,1]=4 118 B8R0.23 CC(C)CC(F)C(=O)O CS-0698889 [1,1,0,0,0,0|1,0,1]=4 119 B8R0.23 CC(C)CC(O)C(=O)O CS-0135968 [1,1,0,0,0,0|1,0,1]=4 120 B8R0.23 CC(C)[C@H](N)CC(=O)O CS-0038142 [1,1,0,0,0,0|1,0,1]=4 121 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O CS-0158222 [1,1,0,0,0,0|1,0,1]=4 122 B8R0.29 CC(C)(N)CCC(=O)O CS-0714446 [1,1,0,0,0,0|0,0,1]=3 123 B8R0.34 C=CC(C)(C)CC(=O)O CS-0222065 [0,1,0,0,1,0|1,0,0]=3 124 B10R0.98 CC(=O)NCC[C@H](N)C(=O)O CS-0689098 [0,1,0,0,0,1|2,0,0]=4 125 B10R0.98 CC(=O)OCC[C@H](N)C(=O)O CS-0261097 [0,1,0,0,0,1|2,0,0]=4 126 B10R0.43 O=C(O)CCC(F)(F)C(=O)O CS-W001554 [0,2,0,0,0,0|2,0,0]=4 127 B10R0.84 CNC(CCC(N)=O)C(=O)O CS-0510742 [0,2,0,0,0,0|2,0,0]=4 128 B10R0.93 N[C@@H](C[C@H](N)C(=O)O)C(=O)O CS-0053414 [0,2,0,0,0,0|1,0,0]=3 129 B10R0.96 C[C@H](CCC(=O)O)CC(=O)O CS-0466011 [0,2,0,0,0,0|1,0,1]=4 130 B10R0.96 N[C@@H](CCC(=O)O)CC(=O)O CS-W010557 [0,2,0,0,0,0|0,0,1]=3 131 B8R1.1 O=C1CCC(CI)N1 CS-0511747 [1,0,0,1,0,0|1,0,1]=4 132 B8R1.3 CC1C=CC(=O)CC1 CS-0051212 [1,0,0,1,0,0|1,0,0]=3 133 B8R1.3 [C@H]1(N)CCC(O)=NC1 CS-W006881 [1,0,0,1,0,0|1,0,1]=4 134 B8R1.4 O=C1C=C(O)CCC1 CS-0155450 [1,0,0,1,0,0|2,0,0]=4 135 B8R1.7 O=C(O)C1CCCN1 CS-0249243 [1,0,0,1,0,0|1,0,1]=4 136 B8R1.31 CC1CCC1C(=O)O CS-0308594 [1,0,0,1,0,0|0,0,2]=4 137 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O CS-0047827 [1,0,0,1,0,0|1,0,1]=4 138 B8R1.31 O=C(O)C1CCC1F CS-0184829 [1,0,0,1,0,0|1,0,1]=4 139 B8R1.34 O=C(O)CC1CNC1 CS-0052252 [1,0,0,1,0,0|1,0,1]=4 140 B8R1.34 O=C(O)CC1CNC1 CS-0099407 [1,0,0,1,0,0|1,0,1]=4 141 B8R1.43 CCC1CC1C(=O)O CS-0238141 [1,0,0,1,0,0|0,0,2]=4 142 B8R1.43 N#CC1CC1C(=O)O CS-0054093 [1,0,0,1,0,0|1,0,1]=4 143 B8R1.43 N#C[C@H]1C[C@H]1C(=O)O CS-0049742 [1,0,0,1,0,0|1,0,1]=4 144 B8R1.23 NC1CC(C(=O)O)C1 CS-0051537 [1,0,0,1,0,0|0,0,1]=3 145 B8R1.23 O=C(O)C1CC(Br)C1 CS-0309921 [1,0,0,1,0,0|1,0,1]=4 146 B8R1.23 O=C(O)C1CC(O)C1 CS-W019144 [1,0,0,1,0,0|1,0,1]=4 147 B8R1.23 O=C(O)[C@H]1C[C@H](Cl)C1 CS-0047788 [1,0,0,1,0,0|1,0,1]=4 148 B8R1.77 O=C(O)C1CC1(Cl)Cl CS-0307437 [1,0,0,1,0,0|2,0,0]=4 149 B8R1.77 O=C(O)[C@H]1CC1(F)F CS-0053638 [1,0,0,1,0,0|2,0,0]=4 150 B8R1.18 NC1CC(=O)NC1=O CS-0687487 [0,0,0,1,1,0|2,0,0]=4 151 B10R1.13 NC1CCC(C(=O)O)CC1 CS-0874947 [0,0,0,1,0,1|0,0,2]=4 152 B10R1.13 N[C@H]1CC[C@@H](C(=O)O)CC1 CS-0049682 [0,0,0,1,0,1|0,0,2]=4 153 B10R1.54 CC(=O)O[C@@H]1C=C[C@H](O)C1 CS-0183432 [0,0,0,1,0,1|2,0,0]=4 154 B10R1.54 CC(=O)O[C@H]1C=C[C@H](O)C1 CS-0470138 [0,0,0,1,0,1|2,0,0]=4 155 B10R1.54 NC1=NN(CC(=O)O)C=C1 CS-0308947 [0,0,0,1,0,1|1,0,1]=4 156 B10R1.83 CC1(C)[C@@H](C(=O)O)C[C@H]1N CS-0287424 [0,1,0,1,0,0|0,0,2]=4 157 B10R1.113 N[C@@H]1CCC[C@H](C(=O)O)C1 CS-0143878 [0,1,0,1,0,0|0,0,2]=4 158 B10R1.118 C[C@H]1C[C@@H](C)C(=O)OC1=O CS-0320075 [0,1,0,1,0,0|2,0,0]=4 159 B10R1.66 O=C(O)CCC1=CN=CN1 CS-0308973 [0,1,0,1,0,0|0,0,1]=3 160 B10R1.66 O=C(O)CCC1=CNN=C1 CS-0441827 [0,1,0,1,0,0|1,0,1]=4 161 B10R1.66 O=C(O)CCC1=CSC=N1 CS-0467736 [0,1,0,1,0,0|0,0,2]=4 162 B10R1.66 O=C(O)CCN1C=CC=N1 CS-0359417 [0,1,0,1,0,0|1,0,1]=4 163 B10R1.66 O=C(O)CCN1C=CN=C1 CS-0070116 [0,1,0,1,0,0|1,0,1]=4 164 B6R0.2 CC(Cl)CC(=O)O CS-0206565 [1,0,0,0,1,0|1,0,1]=4 165 B6R0.3 NC(CCl)C(=O)O CS-W016172 [0,0,0,0,2,0|1,0,1]=4 166 B6R0.3 N[C@@H](CCl)C(=O)O CS-0133369 [0,0,0,0,2,0|1,0,1]=4