0 B8R0.28 CC(=O)NCCC(=O)O CS-0005652 [0,0,0,0,0,0|2,0,1]=3 1 B8R0.28 CN(C)C\C=C\C(=O)O CS-M0298 [0,0,0,0,0,0|1,0,2]=3 2 B7R0.4 C#CCCCC(=O)O CS-W009272 [1,0,0,0,0,0|0,0,2]=3 3 B7R0.4 C#CCOCC(=O)O CS-0070099 [1,0,0,0,0,0|1,0,2]=4 4 B7R0.4 CC(=O)OCCCCl CS-W017752 [1,0,0,0,0,0|3,0,0]=4 5 B7R0.4 CCO\C=C\C(=O)O CS-W019195 [1,0,0,0,0,0|1,0,2]=4 6 B7R0.4 COC\C=C\C(=O)O CS-0100437 [1,0,0,0,0,0|1,0,2]=4 7 B7R0.4 O=C(O)CCCCBr CS-W017172 [1,0,0,0,0,0|1,0,0]=2 8 B7R0.4 O=C(O)CCCCCl CS-W022362 [1,0,0,0,0,0|1,0,0]=2 9 B7R0.4 O=C([O-])CCCCO CS-0047732 [1,0,0,0,0,0|1,0,1]=3 10 B9R0.1 COC(=O)CCCC(C)=O CS-0090564 [0,1,0,0,0,0|1,0,1]=3 11 B9R0.7 C[C@H](CCC(=O)O)C(=O)O CS-0063209 [0,1,0,0,0,0|2,0,1]=4 12 B9R0.53 CC(C)CC(N)CC(=O)O CS-W021839 [0,1,0,0,0,0|0,0,0]=1 13 B9R0.56 O=C(O)CCCC(F)(F)F CS-M3258 [0,1,0,0,0,0|2,0,0]=3 14 B9R1.35 N[C@@H]1C=C[C@H](C(=O)O)C1 CS-0101206 [0,0,0,1,0,0|1,0,2]=4 15 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 CS-0101213 [0,0,0,1,0,0|2,0,0]=3 16 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 CS-M0679 [0,0,0,1,0,0|2,0,0]=3 17 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 CS-0020162 [0,0,0,1,0,0|2,0,0]=3 18 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 CS-W003511 [0,0,0,1,0,0|2,0,0]=3 19 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 CS-D0218 [0,0,0,1,0,0|2,0,1]=4 20 B7R0.6 CC(=O)NNC(C)C CS-M2559 [0,0,0,0,1,0|3,0,0]=4 21 B6R0.4 C#CCCC(=O)O CS-W008784 [2,0,0,0,0,0|0,0,2]=4 22 B6R0.4 C=CCCC(=O)O CS-W009138 [2,0,0,0,0,0|0,0,2]=4 23 B6R0.4 CC(C)CCCO CS-W007511 [2,0,0,0,0,0|0,0,0]=2 24 B6R0.4 CCOCC(=O)O CS-0071579 [2,0,0,0,0,0|1,0,0]=3 25 B6R0.4 CNCCC(C)C CS-W018343 [2,0,0,0,0,0|1,0,1]=4 26 B6R0.4 N#CCCC(=O)O CS-W018565 [2,0,0,0,0,0|1,0,1]=4 27 B6R0.4 O=C(O)CCCBr CS-W016047 [2,0,0,0,0,0|1,0,0]=3 28 B6R0.6 C=CCCCCO CS-W013711 [2,0,0,0,0,0|2,0,0]=4 29 B6R0.6 OCCCCCO CS-W020635 [2,0,0,0,0,0|1,0,1]=4 30 B8R0.5 CCC\C(C)=C\C(=O)O CS-0072967 [1,1,0,0,0,0|0,0,2]=4 31 B8R0.6 COC(=O)CCCCCl CS-0098043 [1,1,0,0,0,0|1,0,0]=3 32 B8R0.6 COC(=O)CCCCN CS-0018002 [1,1,0,0,0,0|1,0,0]=3 33 B8R0.6 COCCCC(=O)OC CS-W011093 [1,1,0,0,0,0|1,0,0]=3 34 B8R0.7 C=CCCCCC(=O)O CS-0097711 [1,1,0,0,0,0|0,0,1]=3 35 B8R0.7 CC(C)NCCCCO CS-M3069 [1,1,0,0,0,0|0,0,1]=3 36 B8R0.7 COCCOCC(=O)O CS-0084611 [1,1,0,0,0,0|1,0,0]=3 37 B8R0.7 O=C(O)CCCCCCl CS-W018132 [1,1,0,0,0,0|0,0,0]=2 38 B8R0.8 C=CCC[C@H](N)C(=O)O CS-0100618 [1,1,0,0,0,0|0,0,2]=4 39 B8R0.21 NCCCCP(=O)(O)O CS-W019288 [1,1,0,0,0,0|2,0,0]=4 40 B10R0.55 COC(=O)CCCCC(=O)O CS-W017938 [0,1,0,0,0,1|1,0,1]=4 41 B10R0.3 CCOC(=O)CCCC(C)=O CS-W010896 [0,2,0,0,0,0|1,0,1]=4 42 B10R0.82 COC(=O)CC[C@@H](N)C(=O)O CS-W022740 [0,2,0,0,0,0|1,0,1]=4 43 B10R0.82 COC(=O)CC[C@H](N)C(=O)O CS-W014394 [0,2,0,0,0,0|1,0,1]=4 44 B10R0.92 CC(C)(C)OC[C@@H](N)C(=O)O CS-0043573 [0,2,0,0,0,0|1,0,0]=3 45 B10R0.31 CC(C)(C)OC(=O)CC(=O)O CS-D1454 [0,2,0,0,0,0|1,0,1]=4 46 B8R1.1 NC[C@H]1CCC(=O)N1 CS-0105178 [1,0,0,1,0,0|2,0,0]=4 47 B8R1.1 O=C1CCC(CBr)O1 CS-M2142 [1,0,0,1,0,0|1,0,0]=3 48 B8R1.1 O=C1CC[C@@H](CO)N1 CS-B0366 [1,0,0,1,0,0|2,0,0]=4 49 B8R1.7 O=C(O)C1=CCCC1 CS-W005540 [1,0,0,1,0,0|0,0,2]=4 50 B8R1.7 O=C(O)C1CCCN1 CS-W013624 [1,0,0,1,0,0|1,0,0]=3 51 B8R1.7 O=C(O)C1CCCO1 CS-W018496 [1,0,0,1,0,0|1,0,0]=3 52 B8R1.7 O=C(O)C1CCNC1 CS-W019683 [1,0,0,1,0,0|1,0,0]=3 53 B8R1.7 O=C(O)[C@@H]1CSCN1 CS-W013392 [1,0,0,1,0,0|2,0,0]=4 54 B8R1.7 O=C(O)[C@H]1CSCN1 CS-0097362 [1,0,0,1,0,0|2,0,0]=4 55 B8R1.34 O=C(O)CC1CCC1 CS-D0460 [1,0,0,1,0,0|0,0,0]=2 56 B8R1.72 CC1(O)CCCCC1 CS-W013634 [1,0,0,1,0,0|1,0,1]=4 57 B8R1.3 CC1CCC(O)CC1 CS-0059254 [0,0,0,1,1,0|1,0,1]=4 58 B8R1.3 CN1CCC(=O)CC1 CS-W009198 [0,0,0,1,1,0|2,0,0]=4 59 B8R1.3 O=C1CC[C@@H](O)CN1 CS-D0041 [0,0,0,1,1,0|2,0,0]=4 60 B8R1.3 O=C1CC[C@H](O)CN1 CS-D0042 [0,0,0,1,1,0|2,0,0]=4 61 B8R1.23 O=C(O)C1CC(O)C1 CS-W019144 [0,0,0,1,1,0|1,0,0]=3 62 B8R1.23 [C@H]1(O)C[C@@H](C(=O)O)C1 CS-W005391 [0,0,0,1,1,0|1,0,0]=3 63 B8R1.51 CC1(C)CCC(=O)N1 CS-W022267 [0,0,0,1,1,0|1,0,0]=3 64 B8R1.77 CC1(C)C[C@@H]1C(N)=O CS-W013652 [0,0,0,1,1,0|1,0,0]=3 65 B10R1.113 NC1CCCC(C(=O)O)C1 CS-W016417 [0,0,0,1,0,1|1,0,0]=3 66 B10R1.13 CC(=O)C1CCN(C)CC1 CS-0042169 [0,1,0,1,0,0|2,0,0]=4 67 B10R1.13 CC(C)C1CCC(=O)CC1 CS-W011030 [0,1,0,1,0,0|1,0,0]=3 68 B10R1.13 CC1CCC(C(=O)O)CC1 CS-0096911 [0,1,0,1,0,0|0,0,0]=2 69 B10R1.13 O=C(O)[C@@H]1CC[C@H](O)CN1 CS-W007250 [0,1,0,1,0,0|1,0,0]=3 70 B10R1.14 COC(=O)C1CCC(N)C1 CS-W006920 [0,1,0,1,0,0|1,0,0]=3 71 B10R1.14 COC(=O)[C@@H]1C[C@@H](O)CN1 CS-M0623 [0,1,0,1,0,0|2,0,0]=4 72 B10R1.14 COC(=O)[C@@H]1C[C@H](O)CN1 CS-W017145 [0,1,0,1,0,0|2,0,0]=4 73 B10R1.14 COC(=O)[C@H]1C[C@@H](O)CN1 CS-M0680 [0,1,0,1,0,0|2,0,0]=4 74 B10R1.14 [C@@H]1(O)CN[C@@H](C(=O)OC)C1 CS-W006629 [0,1,0,1,0,0|2,0,0]=4 75 B10R1.194 CN1C(=O)CC[C@@H]1C(=O)O CS-0044233 [0,1,0,1,0,0|1,0,1]=4 76 B10R1.485 CC1(C#N)CCCC(=O)C1 CS-D1237 [0,1,0,1,0,0|1,0,1]=4 77 B10R1.359 O=C(O)C1CCS(=O)(=O)C1 CS-0060828 [0,1,0,1,0,0|2,0,0]=4 78 B6R0.2 CC(=O)NC(C)C CS-M3536 [0,0,0,0,2,0|2,0,0]=4 79 B6R0.2 CC(O)CC(=O)[O-] CS-W011168 [0,0,0,0,2,0|1,0,1]=4 80 B6R0.2 [C@H](C)(O)CC(=O)[O-] CS-W016567 [0,0,0,0,2,0|1,0,1]=4 81 B10R0.97 CC(=O)CCCCCC(=O)O CS-0046839 [0,0,0,0,0,2|1,0,1]=4