0 B9R0.1 CC(C)CCCC(C)CN Z5875145536 [1,0,0,0,0,0|1,0,1]=3 1 B9R0.38 COCCOCC(C)(C)O Z1255435424 [1,0,0,0,0,0|2,0,1]=4 2 B9R0.56 CC(O)CNCC(C)(C)C Z4835620332 [1,0,0,0,0,0|3,0,0]=4 3 B9R0.56 CN(C)CCCC(C)(C)N Z1184860832 [1,0,0,0,0,0|2,0,1]=4 4 B11R1.19 CC(C)(O)C1CCC(CC1)O Z1897566822 [0,0,0,1,0,0|1,0,2]=4 5 B11R1.19 CC(C)(O)[C@H]1CC[C@H](CC1)N Z4307100631 [0,0,0,1,0,0|1,0,2]=4 6 B11R1.19 CC1=CCC(CC1)C(C)(C)O Z1255427148 [0,0,0,1,0,0|0,0,2]=3 7 B11R1.263 CC(C)(C)CC1CC(C1)C=O Z4289987852 [0,0,0,1,0,0|2,0,0]=3 8 B11R1.263 CC(C)(C)CC1CC(C1)CN Z4965179746 [0,0,0,1,0,0|2,0,1]=4 9 B11R1.950 CC1(CCCC(CC1)CN)C Z3401025219 [0,0,0,1,0,0|2,0,1]=4 10 B11R1.950 O=CC1CCCC(CC1)(F)F Z3252555329 [0,0,0,1,0,0|3,0,0]=4 11 B11R1.1072 CC1(CCCC(C1)(F)F)C=O Z4131106061 [0,0,0,1,0,0|3,0,0]=4 12 B11R1.1072 CC1(COCC(O1)(C)CN)C Z5212972266 [0,0,0,1,0,0|2,0,1]=4 13 B8R0.7 CC(C)CCCCCO Z1198149583 [2,0,0,0,0,0|1,0,1]=4 14 B8R0.7 CNCCCCC(C)C Z5530305220 [2,0,0,0,0,0|1,0,1]=4 15 B8R0.28 CC(C)CNCC(C)C Z90514122 [2,0,0,0,0,0|1,0,1]=4 16 B8R0.28 CC(C)COCC(C)N Z1262398413 [2,0,0,0,0,0|2,0,0]=4 17 B8R0.28 CC(O)CCCN(C)C Z902046982 [2,0,0,0,0,0|1,0,1]=4 18 B8R0.21 CC(C)(O)CCCCO Z1725965028 [2,0,0,0,0,0|1,0,0]=3 19 B8R0.21 CC(C)(O)COCCN Z1262687778 [2,0,0,0,0,0|2,0,0]=4 20 B8R0.21 CCCNCC(C)(C)O Z600453870 [2,0,0,0,0,0|1,0,0]=3 21 B10R0.3 C/C(=C\CO)/CCCC(C)C Z2583205813 [1,1,0,0,0,0|0,0,2]=4 22 B10R0.65 C=CC(C)(O)CCC=C(C)C Z1255402668 [1,1,0,0,0,0|0,0,2]=4 23 B10R0.98 CC(C)CCCC(N)C(=O)O Z2855996233 [1,1,0,0,0,0|2,0,0]=4 24 B10R0.98 CC(C)CCOC(C)C(=O)O Z316259086 [1,1,0,0,0,0|2,0,0]=4 25 B10R0.98 CC(N)CCCC(C)C(=O)O Z1258848487 [1,1,0,0,0,0|2,0,0]=4 26 B10R0.15 CC(C)(C)CCCCC(=O)O Z1198156575 [1,1,0,0,0,0|2,0,0]=4 27 B10R0.12 CC(C)CCC(N)C(C)(C)C Z406453448 [1,1,0,0,0,0|1,0,1]=4 28 B12R0.209 C=CC(C)(O)CCCC(C)C(=O)O Z1262518232 [0,2,0,0,0,0|1,0,1]=4 29 B10R1.13 CC1CCC(CN1)C(C)C Z1230088800 [1,0,0,1,0,0|1,0,1]=4 30 B10R1.171 CC1(CC(CCO1)C=O)C Z1198158684 [1,0,0,1,0,0|2,0,0]=4 31 B10R1.171 CC1(CCCC(C1)C#N)C Z1229795369 [1,0,0,1,0,0|1,0,1]=4 32 B10R1.171 CC1(CCCC(C1)C=O)C Z1147526330 [1,0,0,1,0,0|1,0,0]=3 33 B10R1.171 CC1(CCCC(C1)CN)C Z1203640888 [1,0,0,1,0,0|1,0,1]=4 34 B10R1.171 CC1(CCCC(C1)CO)C Z1268631988 [1,0,0,1,0,0|1,0,1]=4 35 B10R1.171 CNC1CCCC(C1)(C)C Z4946633805 [1,0,0,1,0,0|1,0,1]=4 36 B10R1.277 CC1CCCC(C(=O)N1)C Z1203747900 [1,0,0,1,0,0|2,0,0]=4 37 B10R1.301 CC1(CCCC(C1=O)Cl)C Z1262482353 [1,0,0,1,0,0|2,0,0]=4 38 B10R1.350 CC(C)CCCC1(CO1)C Z2751120900 [1,0,0,1,0,0|1,0,1]=4 39 B10R1.28 CC(C)(O)C1CCCCC1 Z449374448 [1,0,0,1,0,0|0,0,2]=4 40 B10R1.28 CC(C)(O)C1CCCCN1 Z2310672601 [1,0,0,1,0,0|1,0,1]=4 41 B10R1.28 CC(C)(O)C1CCCNC1 Z2756332631 [1,0,0,1,0,0|1,0,1]=4 42 B10R1.95 CC1(CCC(C1)CC=O)C Z3271409982 [1,0,0,1,0,0|2,0,0]=4 43 B10R1.95 CC1(OC[C@H](O1)CC=O)C Z1198331579 [1,0,0,1,0,0|2,0,0]=4 44 B10R1.276 CC1(CCCCC(=O)N1)C Z1509172874 [1,0,0,1,0,0|2,0,0]=4 45 B10R1.55 CC(C)(C)C1CCC(C1)N Z1203638087 [1,0,0,1,0,0|2,0,0]=4 46 B10R1.112 CC(C)(C)CC1CC(C1)N Z4523606872 [1,0,0,1,0,0|2,0,0]=4 47 B10R1.112 CC(C)(C)C[C@H]1C[C@@H](C1)N Z4523613402 [1,0,0,1,0,0|2,0,0]=4 48 B10R1.307 CC1(CCCC(C1)(C)N)C Z4351247918 [1,0,0,1,0,0|1,0,1]=4 49 B10R1.307 CC1(CCCC(C1)(C)O)C Z1229797357 [1,0,0,1,0,0|0,0,1]=3 50 B10R1.307 CC1(CCCC(N1)(C)C)C Z238876086 [1,0,0,1,0,0|1,0,1]=4 51 B10R1.26 CC1(CCC(CC1)C=O)C Z1268606481 [0,0,0,1,1,0|2,0,0]=4 52 B10R1.170 CC(C)(C)C1CC(C1)C=O Z2753220505 [0,0,0,1,1,0|2,0,0]=4 53 B12R1.6 CC(C)(C)C1CCC(CC1)C=O Z1079442768 [0,1,0,1,0,0|2,0,0]=4 54 B12R1.23 CC1=CC[C@H](C[C@@H]1O)C(C)(C)O Z1278926502 [0,1,0,1,0,0|0,0,2]=4 55 B12R1.1704 CC(C=O)C1CCC(CC1)(C)C Z3242951955 [0,1,0,1,0,0|2,0,0]=4 56 B8R0.9 CNC(C)CCC(C)C Z5023051600 [1,0,0,0,1,0|1,0,1]=4 57 B8R0.29 CC(C)NCC(C)(C)O Z600453554 [1,0,0,0,1,0|1,0,1]=4 58 B8R0.24 CCC(C)CC(C)(C)O Z1258798904 [0,0,0,0,2,0|0,0,2]=4