0 B9R0.56 CC(=O)OCC[N+](C)(C)C Z600425176 [0,0,0,0,0,0|3,0,0]=3 1 B9R0.56 CC(C)(C)CCCC(=O)O Z819995404 [0,0,0,0,0,0|2,0,1]=3 2 B9R0.56 CC(C)(C)CNCC(=O)O Z2526356733 [0,0,0,0,0,0|3,0,1]=4 3 B9R0.56 CC(C)(C)NCCC(=O)N Z382711920 [0,0,0,0,0,0|2,0,0]=2 4 B9R0.56 CC(C)(C)NCCC(=O)O Z235348197 [0,0,0,0,0,0|1,0,1]=2 5 B9R0.56 CS(=O)(=O)NCCC(=O)O Z45674355 [0,0,0,0,0,0|3,0,1]=4 6 B9R0.56 C[N+](C)(C)CCOC(=O)N Z1255415481 [0,0,0,0,0,0|3,0,0]=3 7 B9R0.56 C[N+](C)(C)NCCC(=O)[O-] Z1198155653 [0,0,0,0,0,0|0,0,0]=0 8 B8R0.21 C#CCCNC(C)(C)C Z3068920113 [1,0,0,0,0,0|2,0,1]=4 9 B8R0.21 CC(C)(C)NCCC#N Z381045604 [1,0,0,0,0,0|2,0,1]=4 10 B8R0.21 CC(C)(C)NCCCN Z56979399 [1,0,0,0,0,0|2,0,1]=4 11 B8R0.21 CC(C)(C)NCCCO Z1268152325 [1,0,0,0,0,0|1,0,2]=4 12 B8R0.28 CC(=CCCC(=O)O)C Z1198162635 [1,0,0,0,0,0|2,0,1]=4 13 B8R0.28 CC(=O)NCCC(=O)O Z56886421 [1,0,0,0,0,0|2,0,1]=4 14 B8R0.28 CC(C)CCCC(=O)O Z426022098 [1,0,0,0,0,0|2,0,1]=4 15 B8R0.28 CC(C)NCCC(=O)O Z235348215 [1,0,0,0,0,0|1,0,1]=3 16 B8R0.28 CC(C)OCCC(=O)O Z316259248 [1,0,0,0,0,0|2,0,1]=4 17 B8R0.28 CC(O)CCCC(=O)[O-] Z1762997411 [1,0,0,0,0,0|3,0,0]=4 18 B10R0.12 CC(C)(C)C(=O)CCC(=O)O Z838955688 [0,1,0,0,0,0|2,0,1]=4 19 B10R0.31 CC(C)(C)CC(N)CC(=O)O Z1704732913 [0,1,0,0,0,0|2,0,1]=4 20 B10R0.31 CC(CC(=O)N)CC(C)(C)C Z741559976 [0,1,0,0,0,0|3,0,0]=4 21 B10R0.65 CC(=O)CCCC(C)(C)CO Z1513606539 [0,1,0,0,0,0|3,0,0]=4 22 B10R0.92 CC(C)(C)CCC(N)C(=O)N Z1889917254 [0,1,0,0,0,0|3,0,0]=4 23 B10R0.92 CC(C)(C)CCC(N)C(=O)O Z819991814 [0,1,0,0,0,0|2,0,1]=4 24 B10R0.92 CC(CCC(C)(C)C)C(=O)O Z819995662 [0,1,0,0,0,0|2,0,1]=4 25 B10R0.113 CC(C)(C)NCCS(=O)(=O)C Z608054440 [0,1,0,0,0,0|2,0,1]=4 26 B10R0.113 C[N+](C)(C)CCCS(=O)(=O)[O-] Z2375609319 [0,1,0,0,0,0|2,0,0]=3 27 B10R1.359 CC1(CC(CN1)C(=O)O)C Z4238522538 [0,0,0,1,0,0|1,0,1]=3 28 B10R1.359 CC1(CCC(C1)C(=O)O)C Z1205496980 [0,0,0,1,0,0|2,0,1]=4 29 B10R1.371 CC1(CC(C1)CC(=O)O)C Z1813149864 [0,0,0,1,0,0|2,0,1]=4 30 B8R0.29 CC(=O)CCC(C)(C)C Z992965824 [0,0,0,0,1,0|2,0,0]=3 31 B8R0.29 CC(C)(C)CCC(=N)N Z3481620976 [0,0,0,0,1,0|3,0,0]=4 32 B8R0.29 CC(C)(C)CCC(=O)O Z819990896 [0,0,0,0,1,0|1,0,1]=3 33 B8R0.29 CC(C)(C)CNC(=O)N Z763367008 [0,0,0,0,1,0|3,0,0]=4 34 B8R0.29 CC(C)(C)NCC(=O)N Z104690680 [0,0,0,0,1,0|2,0,0]=3 35 B8R0.29 CC(C)(C)OCC(=O)O Z362795372 [0,0,0,0,1,0|2,0,1]=4 36 B8R0.29 CC(C)(C)SCC(=O)O Z66636002 [0,0,0,0,1,0|2,0,1]=4 37 B8R0.29 CC(C)(N)CCC(=O)O Z1259041013 [0,0,0,0,1,0|2,0,1]=4 38 B8R0.29 CC(C)(O)CCC(=O)[O-] Z1718361752 [0,0,0,0,1,0|2,0,0]=3 39 B8R0.29 CS(=O)(=O)NCC(=O)[O-] Z336481574 [0,0,0,0,1,0|3,0,0]=4 40 B10R0.15 CC(C)(C)CCCCC(=O)O Z1198156575 [0,0,0,0,0,1|2,0,1]=4 41 B10R0.15 CC(C)(C)OCCCC(=O)O Z362795386 [0,0,0,0,0,1|2,0,1]=4 42 B10R0.15 CC(C)(C)SCCCC(=O)O Z332377422 [0,0,0,0,0,1|2,0,1]=4 43 B10R0.15 CS(=O)(=O)NCCCC(=O)[O-] Z415727988 [0,0,0,0,0,1|3,0,0]=4 44 B10R0.15 C[N+](C)(C)CCCCC(=O)O Z1262519915 [0,0,0,0,0,1|1,0,1]=3 45 B7R0.4 CCNCCC(=O)N Z2681234913 [2,0,0,0,0,0|2,0,0]=4 46 B7R0.4 CCNCCC(=O)O Z1869802098 [2,0,0,0,0,0|1,0,1]=4 47 B7R0.8 C=CCNC(C)(C)C Z2583036183 [2,0,0,0,0,0|1,0,1]=4 48 B7R0.8 CC(C)(C)NCCN Z756919712 [2,0,0,0,0,0|2,0,0]=4 49 B7R0.8 CCCNC(C)(C)C Z744754558 [2,0,0,0,0,0|1,0,1]=4 50 B9R0.1 CNC(=O)CCNC(C)C Z1449756290 [1,1,0,0,0,0|2,0,0]=4 51 B9R0.1 COC(=O)CCNC(C)C Z140567588 [1,1,0,0,0,0|1,0,1]=4 52 B9R0.10 CC(C)(C)C(N)CC(=O)O Z1582263789 [0,1,0,0,1,0|1,0,1]=4 53 B9R0.10 CC(CC(=O)O)C(C)(C)C Z352782682 [0,1,0,0,1,0|1,0,1]=4 54 B9R0.57 CC(C)(C)CC(N)C(=O)O Z1492781338 [0,1,0,0,1,0|1,0,1]=4 55 B9R0.57 CC(C)(C)CC(O)C(=O)O Z1041195612 [0,1,0,0,1,0|1,0,1]=4 56 B9R0.57 CC(CC(C)(C)C)C(=O)O Z1198149948 [0,1,0,0,1,0|1,0,1]=4 57 B9R0.64 CC(C)(CO)CCC(=O)[O-] Z4539765468 [0,1,0,0,1,0|1,0,0]=3 58 B11R0.34 C[N+](C)(C)CC(O)CCC(=O)[O-] Z1896737076 [0,1,0,0,0,1|1,0,0]=3 59 B11R0.84 CC(C)(C)C(=O)NCCC(=O)O Z85914333 [0,1,0,0,0,1|1,0,1]=4 60 B11R0.180 CCOC(=O)CCC[N+](C)(C)C Z1269233146 [0,2,0,0,0,0|1,0,1]=4 61 B9R1.66 CC1(CS(=O)CCN1)C Z1270502902 [1,0,0,1,0,0|2,0,0]=4 62 B9R1.87 CC(C)(C)C1CC1C=O Z1511765666 [1,0,0,1,0,0|2,0,0]=4 63 B9R1.133 CC1(CCC(C1)C=O)C Z1416223919 [1,0,0,1,0,0|2,0,0]=4 64 B9R1.35 CC(C)N1CCC(=O)C1 Z415646352 [1,0,0,1,0,0|2,0,0]=4 65 B9R1.85 O=C(O)CCNC1CC1 Z235346951 [1,0,0,1,0,0|1,0,1]=4 66 B9R1.10 CC1(CCC(=O)NC1)C Z1203731224 [0,0,0,1,1,0|2,0,0]=4 67 B9R1.164 CC1(CC(C1)C(=O)O)C Z1198158394 [0,0,0,1,1,0|1,0,1]=4 68 B11R1.155 CC(C)(C)N1CCCC(=O)C1 Z2692248918 [0,0,0,1,0,1|2,0,0]=4 69 B11R1.710 CC1(CC(CN1)CC(=O)O)C Z3490506320 [0,0,0,1,0,1|1,0,1]=4 70 B11R1.710 CC1(CNC(C1)CC(=O)O)C Z3186442614 [0,0,0,1,0,1|1,0,1]=4 71 B11R1.730 CC(=O)N1CCNC(C1)(C)C Z1251356180 [0,0,0,1,0,1|2,0,0]=4 72 B11R1.730 CC1(CC(CCN1)C(=O)O)C Z3717120914 [0,0,0,1,0,1|1,0,1]=4 73 B11R1.730 CC1(CNCC(C1)C(=O)O)C Z3753017050 [0,0,0,1,0,1|1,0,1]=4 74 B11R1.731 CC(C)(C)N1CCC1C(=O)O Z1201622156 [0,0,0,1,0,1|1,0,1]=4 75 B11R1.19 CC(C)(C)N1CCC(=O)CC1 Z295881938 [0,1,0,1,0,0|2,0,0]=4 76 B11R1.707 CC(C)(C)N1CC(C1)C(=O)O Z1262521274 [0,1,0,1,0,0|1,0,1]=4 77 B11R1.866 COC(=O)C1CNC(C1)(C)C Z3502435344 [0,1,0,1,0,0|1,0,1]=4 78 B11R1.727 CC1(CCC(CN1)C(=O)N)C Z5093991254 [0,1,0,1,0,0|2,0,0]=4 79 B11R1.727 CC1(CCC(CN1)C(=O)O)C Z4986317694 [0,1,0,1,0,0|1,0,1]=4 80 B11R1.727 CC1(COC(CN1)C(=O)O)C Z3485466720 [0,1,0,1,0,0|1,0,1]=4 81 B11R1.738 CC1(CC(CN1)(C)C(=O)O)C Z4456655366 [0,1,0,1,0,0|1,0,1]=4 82 B7R0.6 CC(C)CCC(=O)O Z56347204 [1,0,0,0,1,0|1,0,1]=4 83 B7R0.6 CC(C)NCC(=O)N Z56969693 [1,0,0,0,1,0|2,0,0]=4 84 B7R0.6 CC(C)NCC(=O)O Z359419672 [1,0,0,0,1,0|1,0,1]=4 85 B7R0.6 CN(C)CCC(=O)N Z168912842 [1,0,0,0,1,0|1,0,1]=4 86 B7R0.6 CN(C)CCC(=O)O Z168912830 [1,0,0,0,1,0|0,0,2]=4 87 B7R0.9 CC(=O)CC(C)(C)C Z1171198845 [0,0,0,0,2,0|2,0,0]=4 88 B7R0.9 CC(C)(C)CC(=O)N Z278515142 [0,0,0,0,2,0|2,0,0]=4 89 B7R0.9 CC(C)(C)CC(=O)O Z104478420 [0,0,0,0,2,0|1,0,1]=4 90 B7R0.9 C[N+](C)(C)CC(=O)[O-] Z2289798098 [0,0,0,0,2,0|0,0,0]=2 91 B7R0.9 C[N+](C)(N)CC(=O)[O-] Z56832246 [0,0,0,0,2,0|1,0,0]=3 92 B9R0.55 CC(C)CNCCC(=O)O Z594038396 [1,0,0,0,0,1|1,0,1]=4 93 B9R0.55 CC(C)NCCCC(=O)O Z235348217 [1,0,0,0,0,1|1,0,1]=4