0 B6R0.4 CC(=O)CCC=O P17049 [1,0,0,0,0,0|1,0,1]=3 1 B6R0.4 CC(C)CCC=O 31143 [1,0,0,0,0,0|0,0,2]=3 2 B8R0.28 CC(=O)NCCC(C)C S10520 [0,1,0,0,0,0|1,0,2]=4 3 B8R0.28 CC(=O)OCCC(=O)O C77559 [0,1,0,0,0,0|2,0,1]=4 4 B8R0.28 CC(C)=CCCC(=O)O F16793 [0,1,0,0,0,0|1,0,0]=2 5 B8R0.28 CC(C)=CCNC(=N)N D81045 [0,1,0,0,0,0|2,0,0]=3 6 B8R1.1 CC1=CC=C(C=O)N1 29847 [0,0,0,1,0,0|2,0,1]=4 7 B8R1.1 CC1=CN=C(C=O)S1 25174 [0,0,0,1,0,0|3,0,0]=4 8 B8R1.1 CC1=CNC(C=O)=C1 D84258 [0,0,0,1,0,0|2,0,1]=4 9 B8R1.1 CC1=CNC(C=O)=N1 23109 [0,0,0,1,0,0|3,0,0]=4 10 B8R1.1 CC1=COC(C=O)=N1 P10997 [0,0,0,1,0,0|3,0,0]=4 11 B8R1.4 CC1=CC(=O)OCC1 D93039 [0,0,0,1,0,0|0,0,2]=3 12 B8R1.4 CC1=CN=NC(=O)C1 78530 [0,0,0,1,0,0|2,0,0]=3 13 B8R1.4 CN1CCCC(=O)C1 S10664 [0,0,0,1,0,0|2,0,1]=4 14 B8R1.4 C[C@H]1CC(=O)CCN1 37834 [0,0,0,1,0,0|2,0,1]=4 15 B8R1.4 C[C@H]1CC(=O)CCN1 37835 [0,0,0,1,0,0|2,0,1]=4 16 B8R1.4 C[C@H]1CC(=O)CCN1 37846 [0,0,0,1,0,0|2,0,1]=4 17 B8R1.4 C[C@H]1CC(=O)CCO1 P11761 [0,0,0,1,0,0|2,0,1]=4 18 B8R1.4 C[C@H]1CCNC(=O)C1 P11592 [0,0,0,1,0,0|1,0,2]=4 19 B8R1.4 C[C@H]1CCOC(=O)O1 W17381 [0,0,0,1,0,0|1,0,2]=4 20 B8R1.7 CC(=O)C1=NOC=C1 33729 [0,0,0,1,0,0|3,0,0]=4 21 B8R1.19 CC1(C)CCNC1=O 79628 [0,0,0,1,0,0|1,0,2]=4 22 B8R1.19 CC1(C)OCCC1=O P18857 [0,0,0,1,0,0|2,0,1]=4 23 B5R0.1 C=C(C)CON F31248 [2,0,0,0,0,0|1,0,1]=4 24 B5R0.1 CN(C)CC=O D88083 [2,0,0,0,0,0|1,0,0]=3 25 B5R0.1 CN(C)CCO D93012 [2,0,0,0,0,0|1,0,1]=4 26 B5R0.1 C\C(I)=C/CI AC8880 [2,0,0,0,0,0|2,0,0]=4 27 B5R0.1 C\C(I)=C\CI AC3855 [2,0,0,0,0,0|2,0,0]=4 28 B7R0.6 CC(=O)ON=C(C)C F19954 [1,1,0,0,0,0|1,0,0]=3 29 B7R0.6 CC(C)=CCC(=O)O 24307 [1,1,0,0,0,0|0,0,0]=2 30 B7R0.6 C[S+](C)CCC(=O)O T70554 [1,1,0,0,0,0|1,0,1]=4 31 B9R0.55 CC(=O)CCCOC(C)=O D74850 [0,2,0,0,0,0|1,0,1]=4 32 B9R0.56 CC(=O)OCC[N+](C)(C)C C74167 [0,2,0,0,0,0|1,0,1]=4 33 B7R1.2 CC1=CC(=O)CO1 Y10351 [1,0,0,1,0,0|1,0,1]=4 34 B7R1.2 CC1=CNC(=O)N1 O11257 [1,0,0,1,0,0|2,0,0]=4 35 B7R1.2 CC1=CNC(=O)S1 C90545 [1,0,0,1,0,0|2,0,0]=4 36 B7R1.2 CC1=COC(Br)=N1 S10976 [1,0,0,1,0,0|2,0,0]=4 37 B7R1.2 CC1=COC(S)=N1 W16843 [1,0,0,1,0,0|1,1,0]=4 38 B7R1.2 CN1CCC(=O)C1 64220 [1,0,0,1,0,0|1,0,1]=4 39 B7R1.2 C[C@@H]1CNC(=O)C1 P17327 [1,0,0,1,0,0|1,0,1]=4 40 B7R1.2 C[C@H]1COC(=O)N1 O10180 [1,0,0,1,0,0|1,0,1]=4 41 B7R1.2 C[C@H]1COC(=O)N1 W17357 [1,0,0,1,0,0|1,0,1]=4 42 B7R1.2 C[C@H]1COC(=O)O1 D77722 [1,0,0,1,0,0|1,0,1]=4 43 B7R1.2 N[C@@H]1COC(=O)C1 FD1175 [1,0,0,1,0,0|1,0,1]=4 44 B7R1.2 N[C@@H]1COC(=O)C1 W11179 [1,0,0,1,0,0|1,0,1]=4 45 B7R1.2 O=C1C=C(Br)CO1 W10959 [1,0,0,1,0,0|1,0,1]=4 46 B7R1.2 O=C1C=C(O)CO1 F21287 [1,0,0,1,0,0|1,0,1]=4 47 B7R1.2 O=C1CNC(=O)C1 76756 [1,0,0,1,0,0|2,0,0]=4 48 B7R1.2 O=C1COC(=O)N1 F20602 [1,0,0,1,0,0|2,0,0]=4 49 B7R1.2 O=C1C[C@H](O)CO1 12464 [1,0,0,1,0,0|1,0,1]=4 50 B7R1.3 BrC1=CCOCC1 C90119 [1,0,0,1,0,0|1,0,1]=4 51 B7R1.3 CC1=CCNCC1 A11257 [1,0,0,1,0,0|1,0,1]=4 52 B7R1.4 CC1=C(N)ON=C1 C74807 [1,0,0,1,0,0|2,0,0]=4 53 B7R1.4 CC1=CCOC1=O T72100 [1,0,0,1,0,0|0,0,0]=2 54 B9R1.53 CC(=O)OC1CC(=O)C1 38846 [0,1,0,1,0,0|1,0,1]=4 55 B9R1.132 CC1=CNC(C=O)=C1C 39169 [0,1,0,1,0,0|2,0,0]=4 56 B9R1.40 CC1(C)CCCOC1=O 60202 [0,1,0,1,0,0|0,0,2]=4 57 B9R1.69 CN1CC(=O)NCC1=O P12381 [0,1,0,1,0,0|2,0,0]=4 58 B9R1.106 CC1(C)C(=O)CCC1=O C74976 [0,1,0,1,0,0|1,0,1]=4