0 B7R0.9 B(CC(C)(C)C)(O)O AB51406 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.9 C(C(=O)Cl)C(F)(F)F AB07308 [0,0,0,0,0,0|4,0,0]=4 2 B7R0.9 C(C(=O)O)C(F)(F)F AB04100 [0,0,0,0,0,0|4,0,0]=4 3 B7R0.9 CC(C)(C)OC(=O)N PB11584 [0,0,0,0,0,0|3,0,0]=3 4 B6R0.2 B(CC(C)C)(O)O AB03722 [1,0,0,0,0,0|2,0,1]=4 5 B6R0.2 CC(C)CC(=N)N AB60903 [1,0,0,0,0,0|2,0,0]=3 6 B6R0.2 CC(C)CC(=S)N AB52630 [1,0,0,0,0,0|1,1,0]=3 7 B6R0.2 CC(C)O[N+](=O)[O-] AB00827 [1,0,0,0,0,0|3,0,0]=4 8 B6R0.5 C(C=O)C(F)(F)F AB04146 [1,0,0,0,0,0|3,0,0]=4 9 B6R0.5 CC(C)(C)CCI AB29727 [1,0,0,0,0,0|2,0,1]=4 10 B6R0.5 CC(C)(C)N=C=O AB00190 [1,0,0,0,0,0|2,0,1]=4 11 B8R0.24 CC(C)(C)OC(=O)NN PB18405 [0,1,0,0,0,0|3,0,0]=4 12 B8R0.24 CC(C)(C)OC(=O)NO AB00205 [0,1,0,0,0,0|3,0,0]=4 13 B8R0.27 CC(C)(C)C(C(=O)O)N AB02673 [0,1,0,0,0,0|2,0,0]=3 14 B8R0.27 CC(C)(C)[C@@H](C(=O)O)N AB02564 [0,1,0,0,0,0|2,0,0]=3 15 B8R0.27 CC(C)(C)[C@H](C(=O)O)N AB00342 [0,1,0,0,0,0|2,0,0]=3 16 B8R0.33 CC(C)(C)CS(=O)(=O)Cl AB60386 [0,1,0,0,0,0|3,0,0]=4 17 B8R0.34 CC(=O)OC(C)(C)CO AB53345 [0,1,0,0,0,0|1,1,0]=3 18 B8R1.51 C1CC(CC1=O)(F)F AB71425 [0,0,0,1,0,0|2,0,0]=3 19 B8R1.51 CC1(CCC(C1)N)O PB38754 [0,0,0,1,0,0|1,1,1]=4 20 B8R1.51 CC1(COC(=O)N1)C PB29297 [0,0,0,1,0,0|3,0,0]=4 21 B8R1.77 C1C(C1(F)F)C(=O)O AB20620 [0,0,0,1,0,0|3,0,0]=4 22 B8R1.77 CC(=O)C1CC1(F)F AB85494 [0,0,0,1,0,0|2,0,0]=3 23 B8R1.77 CC1(CC1C(=O)O)C AB21127 [0,0,0,1,0,0|2,0,0]=3 24 B6R0.7 CC(C)(C(=O)N)Br MB05789 [0,0,0,0,1,0|2,0,0]=3 25 B6R0.7 CC(C)(C(=O)O)N AB00918 [0,0,0,0,1,0|2,0,0]=3 26 B6R0.7 CC(C)(C)C(=N)N AB02164 [0,0,0,0,1,0|3,0,0]=4 27 B6R0.7 CC(C)(C)S(=O)N PB24744 [0,0,0,0,1,0|3,0,0]=4 28 B6R0.7 C[C@@H](C(C)(C)O)N MB19778 [0,0,0,0,1,0|1,1,1]=4 29 B5R0.1 CC(C)N=C=O AB00193 [2,0,0,0,0,0|1,0,1]=4 30 B7R0.2 CCC(CC(=O)O)N AB01525 [1,1,0,0,0,0|2,0,0]=4 31 B7R0.2 C\C(=C\C(=O)C)\OC AB70394 [1,1,0,0,0,0|0,0,2]=4 32 B7R0.16 CC(C)[C@@H](C(=O)O)N AB02570 [1,1,0,0,0,0|1,0,0]=3 33 B7R0.16 CC(C)[C@H](C(=O)O)N AB02568 [1,1,0,0,0,0|1,0,0]=3 34 B7R0.8 CC(C)(C)CN=C=O AB55247 [1,1,0,0,0,0|1,0,1]=4 35 B7R0.14 CC(C)(C)C(=O)C=O AB08363 [1,1,0,0,0,0|1,0,1]=4 36 B7R0.13 CC(C)(CN)C(=O)N PB29404 [0,1,0,0,1,0|2,0,0]=4 37 B7R0.13 CC(C)(CN)C(=O)O AB49662 [0,1,0,0,1,0|2,0,0]=4 38 B7R0.13 CC[C@@](C)(C(=O)O)N AB03946 [0,1,0,0,1,0|2,0,0]=4 39 B7R0.13 CC[C@](C)(C(=O)O)N AB07274 [0,1,0,0,1,0|2,0,0]=4 40 B7R0.13 C[C@@](CO)(C(=O)O)N AB03932 [0,1,0,0,1,0|2,0,0]=4 41 B7R0.13 C[C@@](CS)(C(=O)O)N AB56457 [0,1,0,0,1,0|2,0,0]=4 42 B7R0.13 C[C@](CO)(C(=O)O)N AB03935 [0,1,0,0,1,0|2,0,0]=4 43 B7R0.13 C[C@](CS)(C(=O)O)N AB65504 [0,1,0,0,1,0|2,0,0]=4 44 B9R0.57 CC(C)(C)C[C@@H](C(=O)O)N AB02684 [0,1,0,0,0,1|2,0,0]=4 45 B9R0.57 CC(C)(C)C[C@H](C(=O)O)N AB01734 [0,1,0,0,0,1|2,0,0]=4 46 B9R0.44 CC(C)(C)OC(=O)CC#N AB00182 [0,2,0,0,0,0|2,0,0]=4 47 B7R1.2 C1C(CNC1=O)N PB17844 [1,0,0,1,0,0|2,0,0]=4 48 B7R1.2 C1[C@@H](CNC1=O)O PB23182 [1,0,0,1,0,0|1,1,0]=4 49 B7R1.2 C1[C@H](CNC1=O)O AB05836 [1,0,0,1,0,0|1,1,0]=4 50 B7R1.2 C1[C@H](CNC1=O)S PB29198 [1,0,0,1,0,0|1,0,0]=3 51 B7R1.2 CN1CCC(=O)C1 PB26542 [1,0,0,1,0,0|1,0,0]=3 52 B7R1.12 C1[C@@H]([C@@H]1F)C(=O)O PB33460 [1,0,0,1,0,0|2,0,0]=4 53 B7R1.12 C[C@@H]1C[C@H]1C(=O)Cl CB11891 [1,0,0,1,0,0|1,0,0]=3 54 B7R1.16 C1C(=O)CC1(F)F PB28782 [1,0,0,1,0,0|2,0,0]=4 55 B7R1.20 C1CC1CC(=N)N AB49225 [1,0,0,1,0,0|2,0,0]=4 56 B7R1.20 C1CC1CC(=O)O PB21648 [1,0,0,1,0,0|1,0,0]=3 57 B7R1.14 CC1(CCCN1)C PB25045 [1,0,0,1,0,0|1,0,1]=4 58 B7R1.14 CC1(CCNC1)C PB14755 [1,0,0,1,0,0|2,0,0]=4 59 B7R1.14 CC1(CCNC1)O PB19348 [1,0,0,1,0,0|1,1,0]=4 60 B7R1.14 CC1(CCOC1)N PB13539 [1,0,0,1,0,0|2,0,0]=4 61 B7R1.23 C1C(C1(F)F)C=O AB68663 [1,0,0,1,0,0|2,0,0]=4 62 B7R1.19 C1CC1(C(=O)O)N PB23174 [0,0,0,1,1,0|2,0,0]=4 63 B9R1.10 C1CC(CCC1=O)(F)F PB10513 [0,0,0,1,0,1|2,0,0]=4 64 B9R1.10 C1CC(CNC1=O)(F)F PB13829 [0,0,0,1,0,1|2,0,0]=4 65 B9R1.10 CC1(OCC(=O)CO1)C MB01392 [0,0,0,1,0,1|0,1,0]=3 66 B9R1.164 CC1(CC(=C1)C(=O)O)C PB18244 [0,0,0,1,0,1|2,0,0]=4 67 B9R1.164 CC1(CC(C1)C(=O)O)C PB14266 [0,0,0,1,0,1|2,0,0]=4 68 B9R1.164 CC1(CC(C1)C(=O)O)O PB15169 [0,0,0,1,0,1|1,1,0]=4 69 B9R1.164 C[C@]1(C[C@@H](C1)C(=O)O)O PB36576 [0,0,0,1,0,1|1,1,0]=4 70 B9R1.164 C[C@]1(C[C@H](C1)C(=O)O)O PB35306 [0,0,0,1,0,1|1,1,0]=4 71 B9R1.185 C1C(C1(F)F)C(=O)CBr AB85495 [0,1,0,1,0,0|2,0,0]=4 72 B9R1.171 CC1(COC1)CC(=O)O PB21034 [0,1,0,1,0,0|1,1,0]=4 73 B9R2.143 C1CC12CC2C(=O)O PB20104 [0,0,0,2,0,0|2,0,0]=4 74 B5R0.5 CC(C(=O)N)N AB43014 [1,0,0,0,1,0|2,0,0]=4 75 B5R0.5 CC(C)C(=N)N AB07702 [1,0,0,0,1,0|2,0,0]=4 76 B5R0.5 CC(C)C(=S)N AB32169 [1,0,0,0,1,0|1,1,0]=4 77 B5R0.5 C[C@@H](C(=O)O)Br AB03774 [1,0,0,0,1,0|2,0,0]=4 78 B5R0.5 C[C@@H](C(=O)O)N AB02601 [1,0,0,0,1,0|2,0,0]=4 79 B7R0.6 CC(=O)CNC(=O)C AB02398 [1,0,0,0,0,1|0,1,1]=4 80 B7R0.6 CC(=O)\C=C\N(C)C AB03818 [1,0,0,0,0,1|1,0,1]=4