0 B7R0.7 [C-]#[N+]CC(=O)OCC SPC-q003 [0,0,0,0,0,0|1,0,1]=2 1 B6R0.1 CCOC(=O)C#N SPC-g163 [1,0,0,0,0,0|1,0,1]=3 2 B8R0.1 CCC#CC(=O)OCC SPC-t629 [0,1,0,0,0,0|1,0,1]=3 3 B8R1.4 C[C@@H]1CC(=O)CCN1 SPC-j888 [0,0,0,1,0,0|3,0,0]=4 4 B8R1.4 C[C@@H]1CNCC(=O)N1 SPC-n811 [0,0,0,1,0,0|2,0,0]=3 5 B8R1.4 C[C@H]1CC(=O)CCN1 SPC-j895 [0,0,0,1,0,0|3,0,0]=4 6 B8R1.4 C[C@H]1CC(=O)CCN1 SPC-m537 [0,0,0,1,0,0|3,0,0]=4 7 B8R1.4 C[C@H]1CC(=O)CCN1 SPC-n719 [0,0,0,1,0,0|3,0,0]=4 8 B8R1.4 C[C@H]1CC(=O)CCO1 SPC-k855 [0,0,0,1,0,0|3,0,0]=4 9 B8R1.4 C[C@H]1CCNC(=O)C1 SPC-p144 [0,0,0,1,0,0|2,0,0]=3 10 B8R1.4 C[C@H]1CNCC(=O)N1 SPC-n812 [0,0,0,1,0,0|2,0,0]=3 11 B8R1.4 C[C@H]1CNC[C@H](C)O1 SPC-k818 [0,0,0,1,0,0|2,0,1]=4 12 B8R1.4 N[C@@H]1COCC(=O)C1 SPC-u616 [0,0,0,1,0,0|2,1,0]=4 13 B8R1.4 N[C@H]1CCNC(=O)C1 SPC-j029 [0,0,0,1,0,0|3,0,0]=4 14 B8R1.4 O=C1CCC[C@H](O)C1 SPC-p385 [0,0,0,1,0,0|3,0,0]=4 15 B8R1.4 O=C1CCNC(=O)C1 SPC-g649 [0,0,0,1,0,0|3,0,0]=4 16 B8R1.4 O=C1CSCC(=O)C1 SPC-t654 [0,0,0,1,0,0|2,0,1]=4 17 B8R1.8 CCO[C@@H]1CCNC1 SPC-u486 [0,0,0,1,0,0|2,0,1]=4 18 B8R1.8 CCO[C@H]1CCNC1 SPC-n761 [0,0,0,1,0,0|2,0,1]=4 19 B8R1.11 N#C[C@H]1CSCC1=O SPC-p598 [0,0,0,1,0,0|2,0,1]=4 20 B8R1.11 O=C1NCC[C@@H]1CO SPC-k007 [0,0,0,1,0,0|3,0,0]=4 21 B8R1.18 CC1=CC(=O)O[C@@H]1O SPC-s367 [0,0,0,1,0,0|2,0,1]=4 22 B8R1.22 O=C1CCNCCN1 SPC-q669 [0,0,0,1,0,0|3,0,0]=4 23 B8R1.37 CCCC(=O)C1CC1 SPC-u760 [0,0,0,1,0,0|2,0,0]=3 24 B8R1.37 CCOC(=O)[C@@H]1CO1 SPC-g805 [0,0,0,1,0,0|0,1,0]=2 25 B7R0.5 CC(C)C(=O)OCCl SPC-n339 [1,1,0,0,0,0|1,0,0]=3 26 B7R0.5 CCOC(=O)C(N)=S SPC-m739 [1,1,0,0,0,0|0,0,2]=4 27 B9R0.37 CCOC(=O)C(C=O)C=O SPC-g514 [0,2,0,0,0,0|2,0,0]=4 28 B7R1.2 C[C@@H]1CNC(=O)C1 SPC-r288 [1,0,0,1,0,0|2,0,0]=4 29 B7R1.2 C[C@H]1CNC(=O)C1 SPC-n787 [1,0,0,1,0,0|2,0,0]=4 30 B7R1.2 O=C1CCC(=O)C1 SPC-h715 [1,0,0,1,0,0|2,0,0]=4 31 B7R1.2 O=C1CC[C@H](O)C1 SPC-q537 [1,0,0,1,0,0|2,0,0]=4 32 B7R1.3 O=C1CCCNC1 SPC-q237 [1,0,0,1,0,0|1,0,0]=3 33 B7R1.3 O=C1CCCOC1 SPC-g865 [1,0,0,1,0,0|0,1,0]=3 34 B7R1.3 O=C1CCCSC1 SPC-k221 [1,0,0,1,0,0|0,0,0]=2 35 B7R1.3 O=C1CCOCC1 SPC-g072 [1,0,0,1,0,0|2,0,0]=4 36 B7R1.3 O=C1CCSCC1 SPC-g130 [1,0,0,1,0,0|2,0,0]=4 37 B7R1.3 O=C1CNCCN1 SPC-g151 [1,0,0,1,0,0|2,0,0]=4 38 B7R1.3 O=C1COCCN1 SPC-g147 [1,0,0,1,0,0|1,1,0]=4 39 B7R1.4 N[C@H]1CCNC1=O SPC-u507 [1,0,0,1,0,0|2,0,0]=4 40 B7R1.4 N[C@H]1CCOC1=O SPC-s908 [1,0,0,1,0,0|1,0,0]=3 41 B7R1.8 O=C1CC[C@@H]1CO SPC-p096 [1,0,0,1,0,0|2,0,0]=4 42 B9R1.2 CCN1CCNC(=O)C1 SPC-t007 [0,1,0,1,0,0|2,0,0]=4 43 B9R1.2 NC[C@H]1CCNC(=O)C1 SPC-j120 [0,1,0,1,0,0|2,0,0]=4 44 B9R1.2 O=C1C[C@@H](CO)CCN1 SPC-j635 [0,1,0,1,0,0|2,0,0]=4 45 B9R1.15 CO[C@H]1COCCC1=O SPC-h609 [0,1,0,1,0,0|1,1,0]=4 46 B9R1.22 O=C1C[C@H](O)[C@@H](CO)O1 SPC-m818 [0,1,0,1,0,0|2,0,0]=4 47 B9R1.48 C[C@H]1CC(=O)NCCN1 SPC-p861 [0,1,0,1,0,0|2,0,0]=4 48 B9R1.73 CCOC(=O)C1CCC1 SPC-q614 [0,1,0,1,0,0|1,0,0]=3 49 B9R1.73 CCOC(=O)C1CNC1 SPC-g636 [0,1,0,1,0,0|1,0,0]=3 50 B9R1.73 CCOC(=O)[C@@H]1CCO1 SPC-m749 [0,1,0,1,0,0|0,1,0]=3 51 B9R1.75 CCOC(=O)CC1CC1 SPC-q002 [0,1,0,1,0,0|1,0,0]=3 52 B9R1.74 CCOC(=O)C1(O)CC1 SPC-p993 [0,1,0,1,0,0|1,0,0]=3 53 B9R1.34 C[C@H]1CC(=O)C[C@@H](C)N1 SPC-r047 [0,1,0,1,0,0|2,0,0]=4 54 B9R1.66 CC1(C)CCCC(=O)C1 SPC-p301 [0,1,0,1,0,0|2,0,0]=4 55 B9R2.109 O=C1CCCC2CC12 SPC-p917 [0,0,0,2,0,0|2,0,0]=4 56 B9R2.5 O=C1NCCC12CC2 SPC-b641 [0,0,0,2,0,0|2,0,0]=4