0 B8R0.1 CCCC(=O)OCCO D81566 [0,0,0,0,0,0|1,0,3]=4 1 B8R0.1 CCOC(=O)CCC=O AB9300 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.3 C#CCNC(=O)C=C C77533 [1,0,0,0,0,0|1,0,2]=4 3 B7R0.3 C=CC(=O)NCCC AB9941 [1,0,0,0,0,0|1,0,2]=4 4 B7R0.3 C=CCCC(=O)OC AT23749 [1,0,0,0,0,0|2,0,0]=3 5 B7R0.3 CCC(=O)OCCO A11774 [1,0,0,0,0,0|1,0,2]=4 6 B7R0.7 C=C=CC(=O)OCC T71774 [1,0,0,0,0,0|0,0,3]=4 7 B9R0.48 C=C(C)CCC(=O)OCC A11234 [0,1,0,0,0,0|2,0,1]=4 8 B9R1.15 CCC1=CC=NNC1=O S11452 [0,0,0,1,0,0|2,0,1]=4 9 B9R1.69 CC1=CC(=O)N=NC1=O F53166 [0,0,0,1,0,0|3,0,0]=4 10 B9R1.69 CC1=CC(=O)NN=C1C P11942 [0,0,0,1,0,0|2,0,1]=4 11 B9R1.69 CC1=CC(=O)NN=C1Cl 26451 [0,0,0,1,0,0|3,0,0]=4 12 B6R0.1 C=C=CC(=O)OC F20885 [2,0,0,0,0,0|0,0,2]=4 13 B6R0.1 COC(=O)OCCl R10013 [2,0,0,0,0,0|2,0,0]=4 14 B6R0.1 COC(=O)\C=C\I C10406 [2,0,0,0,0,0|1,0,0]=3 15 B6R0.4 C=CCCC(=O)Cl F16765 [2,0,0,0,0,0|2,0,0]=4 16 B6R0.4 CC(=O)CCC=O P17049 [2,0,0,0,0,0|2,0,0]=4 17 B6R0.4 CC(=O)OCCN W11955 [2,0,0,0,0,0|1,0,1]=4 18 B8R0.3 C=CC[C@H](N)C(=O)OC 50494 [1,1,0,0,0,0|2,0,0]=4 19 B8R0.3 C=CC[C@H](N)C(=O)OC 78270 [1,1,0,0,0,0|2,0,0]=4 20 B8R0.5 CC(C)OC(=O)\C=C/I F19580 [1,1,0,0,0,0|1,0,1]=4 21 B10R0.83 C=CCOCC(=O)N(C)OC W11358 [0,2,0,0,0,0|2,0,0]=4 22 B10R0.83 C\C=C(/C)C(=O)OCCCC A12842 [0,2,0,0,0,0|0,0,2]=4 23 B8R1.49 C1=CCCC=CCC1 A11943 [1,0,0,1,0,0|1,0,1]=4 24 B8R1.49 C1=CCCC=CCC1 C10709 [1,0,0,1,0,0|1,0,1]=4 25 B8R1.49 C1=CCCC=CCC1 D94664 [1,0,0,1,0,0|1,0,1]=4 26 B8R1.49 C1=CCCC=CCC1 F16608 [1,0,0,1,0,0|1,0,1]=4 27 B8R1.49 C1=CCCC=CCC1 F16639 [1,0,0,1,0,0|1,0,1]=4 28 B8R1.49 C1=CCCC=CCC1 H10532 [1,0,0,1,0,0|1,0,1]=4 29 B8R1.49 C1=CCCC=CCC1 O11699 [1,0,0,1,0,0|1,0,1]=4 30 B8R1.49 C1=CCCC=CCC1 S12179 [1,0,0,1,0,0|1,0,1]=4 31 B8R1.49 C1=CCCC=CCC1 T72889 [1,0,0,1,0,0|1,0,1]=4 32 B8R1.1 C=C[C@@H]1CCC(=O)N1 N10616 [1,0,0,1,0,0|1,0,1]=4 33 B8R1.1 C=C[C@@H]1COC(=O)C1 88423 [1,0,0,1,0,0|2,0,0]=4 34 B8R1.3 O=C1CCC(=O)OC1 P20160 [1,0,0,1,0,0|1,0,1]=4 35 B8R1.50 CC1=C(Br)COC1=O W19136 [1,0,0,1,0,0|1,0,0]=3 36 B8R1.4 C=C1CCCC(=O)O1 D93802 [1,0,0,1,0,0|0,0,2]=4 37 B8R1.4 CC1=CC(=O)OCC1 D93039 [1,0,0,1,0,0|0,0,1]=3 38 B8R1.4 CC1=CC(=S)NC=C1 I11274 [1,0,0,1,0,0|1,1,0]=4 39 B8R1.18 CC1=CC(=O)C[C@@H]1C C74561 [1,0,0,1,0,0|0,0,2]=4 40 B8R1.18 O=C1C=C(Cl)[C@@H](O)O1 C75058 [1,0,0,1,0,0|2,0,0]=4 41 B10R1.187 C=CCN1C(=O)C=CC1=O F30108 [0,1,0,1,0,0|1,0,1]=4 42 B10R1.113 O=C1C=CC[C@H](C(=O)O)C1 F18279 [0,1,0,1,0,0|2,0,0]=4