0 B8R0.5 CCCC(CC(=O)O)N AB01975 [0,0,0,0,0,0|3,0,1]=4 1 B8R0.5 CCOC(=O)CC(=N)N AB29705 [0,0,0,0,0,0|2,0,0]=2 2 B8R0.5 CCOC(=O)CC(=O)O AB01280 [0,0,0,0,0,0|1,0,0]=1 3 B8R0.5 CCOC(=O)CC(=O)[O-] AB01563 [0,0,0,0,0,0|1,0,0]=1 4 B8R0.5 CCOC(=O)CC(F)F AB71794 [0,0,0,0,0,0|2,0,1]=3 5 B7R0.2 CCC(CC(=O)O)N AB01525 [1,0,0,0,0,0|2,0,1]=4 6 B7R0.2 C\C(=C/C(=O)OC)\N AB00926 [1,0,0,0,0,0|1,0,1]=3 7 B7R0.2 C\C(=C\C(=O)C)\OC AB70394 [1,0,0,0,0,0|1,0,1]=3 8 B7R0.7 CCOC(=O)C#CC AB01182 [1,0,0,0,0,0|0,0,2]=3 9 B7R0.7 CCOC(=O)C[N+]#[C-] AB00104 [1,0,0,0,0,0|1,0,1]=3 10 B7R0.7 CCOC(=O)N=C=S AB00381 [1,0,0,0,0,0|1,1,1]=4 11 B9R0.34 CCOC(=O)CC(C=C)O MB69298 [0,1,0,0,0,0|0,0,3]=4 12 B9R0.34 CCOC(=O)CC(C=O)Cl AB76485 [0,1,0,0,0,0|1,0,1]=3 13 B9R1.7 CCOC1CCC(=O)N1 AB15019 [0,0,0,1,0,0|2,0,1]=4 14 B9R1.41 C1CNC(=O)C1C(=O)O PB18154 [0,0,0,1,0,0|2,0,0]=3 15 B9R1.48 CC1CC(=O)NCCN1 PB15399 [0,0,0,1,0,0|2,0,1]=4 16 B7R0.5 CCOC(=O)C(=O)N AB00911 [0,0,0,0,1,0|1,0,0]=2 17 B7R0.5 CCOC(=O)C(=S)N PB24589 [0,0,0,0,1,0|1,1,0]=3 18 B9R0.48 CCOC(=O)CC[N+](=O)[O-] MB00654 [0,0,0,0,0,1|2,0,0]=3 19 B6R0.1 CCNC(=O)C=C CB10170 [2,0,0,0,0,0|1,0,1]=4 20 B6R0.1 CCOC(=N)CCl AB60917 [2,0,0,0,0,0|2,0,0]=4 21 B6R0.1 CCOC(=N)CO AB60920 [2,0,0,0,0,0|1,0,1]=4 22 B6R0.1 CCOC(=O)C#N PB24520 [2,0,0,0,0,0|1,0,1]=4 23 B6R0.1 COC(=O)CC#C AB11822 [2,0,0,0,0,0|0,0,2]=4 24 B6R0.1 COC(=O)\C=C\N AB31601 [2,0,0,0,0,0|1,0,1]=4 25 B6R0.4 CC(=O)\C=C\OC AB00959 [2,0,0,0,0,0|0,0,1]=3 26 B8R0.1 CCOC(=O)CN=C=O AB00195 [1,1,0,0,0,0|0,0,1]=3 27 B8R0.3 CCOC(=O)[C@H](CO)N AB46080 [1,1,0,0,0,0|0,0,2]=4 28 B10R0.108 CCOC(=O)CCC(=O)CBr AB69626 [0,1,0,0,0,1|0,0,0]=2 29 B10R0.101 CCOC(=O)C(=C(C)C)C#N AB00963 [0,2,0,0,0,0|1,0,1]=4 30 B10R0.101 CCOC(=O)\C(=C\N)\C(=O)C AB72206 [0,2,0,0,0,0|0,0,1]=3 31 B10R0.2 CCOC(=N)CC(=O)OCC AB02114 [0,2,0,0,0,0|1,0,0]=3 32 B10R0.2 CCOC(=O)C[C@@H](CC#N)O AB05567 [0,2,0,0,0,0|0,0,2]=4 33 B10R0.34 CC\C(=C\C(=O)OCC)\OC AB84923 [0,2,0,0,0,0|0,0,2]=4 34 B8R1.4 C1C(=O)COCC1=O PB14653 [1,0,0,1,0,0|1,0,0]=3 35 B8R1.4 C1C(=O)CSCC1=O PB15832 [1,0,0,1,0,0|1,0,0]=3 36 B8R1.4 C1CC(=CC(=O)C1)I MB07038 [1,0,0,1,0,0|1,0,1]=4 37 B8R1.4 C1CNC(=O)CC1=O PB20308 [1,0,0,1,0,0|1,0,0]=3 38 B8R1.4 C1CNC(=O)OC1=O AB27597 [1,0,0,1,0,0|2,0,0]=4 39 B8R1.4 CC1CC(=O)CCN1 PB18889 [1,0,0,1,0,0|1,0,1]=4 40 B8R1.4 CC1CC(=O)CCO1 PB18115 [1,0,0,1,0,0|0,0,2]=4 41 B8R1.4 CN1CCCC(=O)C1 AB39316 [1,0,0,1,0,0|2,0,0]=4 42 B8R1.4 C[C@@H]1CC(=O)CCO1 PB35061 [1,0,0,1,0,0|0,0,2]=4 43 B8R1.4 C[C@H]1CC(=O)CCO1 PB15186 [1,0,0,1,0,0|0,0,2]=4 44 B8R1.18 CC1C(=O)NC(=O)O1 AB26261 [1,0,0,1,0,0|2,0,0]=4 45 B8R1.40 COC(=O)CC1CC1 PB20704 [1,0,0,1,0,0|1,0,1]=4 46 B8R1.83 COC(=O)[C@H]1C[C@@H]1N AB77059 [1,0,0,1,0,0|1,0,1]=4 47 B8R1.7 C1COC=C1C(=O)O PB26262 [1,0,0,1,0,0|1,0,1]=4 48 B8R1.7 C1COCC1C(=O)N PB20686 [1,0,0,1,0,0|1,0,1]=4 49 B8R1.7 C1COC[C@@H]1C(=O)O PB15879 [1,0,0,1,0,0|1,0,1]=4 50 B8R1.7 C1COC[C@H]1C(=O)O PB26265 [1,0,0,1,0,0|1,0,1]=4 51 B8R1.22 C1CC(=O)CCNC1 PB26051 [1,0,0,1,0,0|1,0,1]=4 52 B8R1.22 C1CC(=O)CCOC1 AB76453 [1,0,0,1,0,0|0,0,1]=3 53 B8R1.8 C1CC(OC1)CC=O AB76318 [1,0,0,1,0,0|1,0,1]=4 54 B8R1.54 C1CC1C(=O)C(=O)O AB65215 [0,0,0,1,1,0|2,0,0]=4 55 B10R1.113 C1CNC(=O)CC1C(=O)O PB11932 [0,0,0,1,0,1|2,0,0]=4 56 B10R1.113 C1C[C@@H](NC(=O)C1)C(=O)O AB49077 [0,0,0,1,0,1|2,0,0]=4 57 B10R1.113 C1C[C@H](NC(=O)C1)C(=O)O AB16268 [0,0,0,1,0,1|2,0,0]=4 58 B10R1.140 CCOC(=O)C1CC(C1)O PB10706 [0,0,0,1,0,1|0,0,2]=4 59 B10R1.54 Cc1ncc(o1)CC(=O)C AB44093 [0,1,0,1,0,0|1,0,1]=4 60 B10R1.61 C1CNC(=O)C(N1)C(=O)O AB32176 [0,1,0,1,0,0|2,0,0]=4 61 B10R1.61 CC(=O)N1CCCCC1=O AB52501 [0,1,0,1,0,0|2,0,0]=4 62 B10R1.25 CCC1CNC(=O)CC1=O PB13231 [0,1,0,1,0,0|1,0,0]=3 63 B10R1.134 COC(=O)CC(=O)C1CC1 PB26020 [0,1,0,1,0,0|1,0,0]=3 64 B10R1.137 CCOC(=O)C=C1COC1 PB19291 [0,1,0,1,0,0|0,0,2]=4 65 B10R1.149 C1COC(=O)C1C(=O)CCl AB13908 [0,1,0,1,0,0|0,0,0]=2 66 B10R1.149 COC(=O)C1COCC1=O PB18290 [0,1,0,1,0,0|2,0,0]=4 67 B10R1.329 CC1(OC(=O)CC(=O)O1)C AB00787 [0,1,0,1,0,0|1,0,0]=3 68 B10R2.71 C1CC2CC(=O)CC1O2 PB37880 [0,0,0,2,0,0|1,0,1]=4 69 B6R0.3 COC(=O)C(=N)N AB50977 [1,0,0,0,1,0|2,0,0]=4 70 B6R0.3 C[C@@H](C(=O)OC)N AB02553 [1,0,0,0,1,0|1,0,1]=4