0 B7R0.18 NC(CO)(CO)CO 26425 [0,0,0,0,0,0|0,0,0]=0 1 B6R0.8 CC(C)(CO)CO 22258 [1,0,0,0,0,0|1,0,0]=2 2 B6R0.8 CNC(C)(C)CO 35872 [1,0,0,0,0,0|3,0,0]=4 3 B8R0.10 CCC(CC)(CO)CO 3996 [0,1,0,0,0,0|2,0,0]=3 4 B8R0.10 OCC(CO)(CBr)CBr 27389 [0,1,0,0,0,0|2,0,0]=3 5 B8R0.10 OCC(CO)(CCl)CCl 24285 [0,1,0,0,0,0|2,0,0]=3 6 B8R1.52 OCC1(F)CCCC1 34878 [0,0,0,1,0,0|3,0,0]=4 7 B8R1.60 BrCC1(CBr)COC1 34889 [0,0,0,1,0,0|3,0,0]=4 8 B8R1.60 CCC1(CO)COC1 21978 [0,0,0,1,0,0|2,0,0]=3 9 B8R1.60 OCC1(CBr)COC1 26448 [0,0,0,1,0,0|2,0,0]=3 10 B5R0.3 C=C[C@H](O)CO 19971 [2,0,0,0,0,0|1,0,1]=4 11 B5R0.3 CCC(N)CO 14779 [2,0,0,0,0,0|1,0,0]=3 12 B5R0.3 CC[C@@H](O)CO 14093 [2,0,0,0,0,0|1,0,0]=3 13 B5R0.3 CC[C@H](C)CN 16256 [2,0,0,0,0,0|2,0,0]=4 14 B5R0.3 CC[C@H](O)CO 14096 [2,0,0,0,0,0|1,0,0]=3 15 B5R0.3 CO[C@@H](C)CO 26646 [2,0,0,0,0,0|2,0,0]=4 16 B5R0.3 NC(CO)CO 11931 [2,0,0,0,0,0|0,0,0]=2 17 B5R0.3 NC[C@@H](O)CO 5711 [2,0,0,0,0,0|1,0,0]=3 18 B5R0.3 NC[C@H](O)CCl 34211 [2,0,0,0,0,0|2,0,0]=4 19 B5R0.3 NC[C@H](O)CO 5712 [2,0,0,0,0,0|1,0,0]=3 20 B5R0.3 O=C(CO)CO 4053 [2,0,0,0,0,0|0,0,2]=4 21 B5R0.3 O=CC(O)CO 13962 [2,0,0,0,0,0|0,0,2]=4 22 B5R0.3 O=C[C@@H](O)CO 6339 [2,0,0,0,0,0|0,0,2]=4 23 B5R0.3 O=C[C@@H](O)CO 6340 [2,0,0,0,0,0|0,0,2]=4 24 B5R0.3 O=C[C@H](O)CO 6338 [2,0,0,0,0,0|0,0,2]=4 25 B5R0.3 OC(CCl)CCl 5871 [2,0,0,0,0,0|2,0,0]=4 26 B5R0.3 OCC(O)CCl 21311 [2,0,0,0,0,0|1,0,0]=3 27 B5R0.3 OCC(O)CO 16092 [2,0,0,0,0,0|0,0,0]=2 28 B5R0.3 OC[C@@H](O)CCl 5741 [2,0,0,0,0,0|1,0,0]=3 29 B5R0.3 OC[C@H](O)CCl 5740 [2,0,0,0,0,0|1,0,0]=3 30 B5R0.4 CC(C)(C)CN 28998 [2,0,0,0,0,0|2,0,0]=4 31 B5R0.4 CC(C)(N)C#N 25459 [2,0,0,0,0,0|1,0,1]=4 32 B5R0.4 CC(C)(N)CN 28209 [2,0,0,0,0,0|1,0,0]=3 33 B5R0.4 CC(C)(N)CO 2208 [2,0,0,0,0,0|0,0,0]=2 34 B5R0.4 CC(C)(O)CCl 3675 [2,0,0,0,0,0|2,0,0]=4 35 B5R0.4 CC(C)(O)CN 32121 [2,0,0,0,0,0|2,0,0]=4 36 B5R0.4 CC(C)(S)CN 28945 [2,0,0,0,0,0|2,0,0]=4 37 B5R0.4 CC(F)(F)CO 35038 [2,0,0,0,0,0|2,0,0]=4 38 B5R0.4 CCC(C)(C)O 21405 [2,0,0,0,0,0|2,0,0]=4 39 B7R0.11 CCO[C@@](C)(O)CO 25593 [1,1,0,0,0,0|2,0,0]=4 40 B7R0.11 CCO[C@](C)(O)CO 25595 [1,1,0,0,0,0|2,0,0]=4 41 B7R0.13 CCC(C)(N)C(=O)O 30150 [1,1,0,0,0,0|1,0,1]=4 42 B7R0.13 CC[C@@](C)(N)C(=O)O 30164 [1,1,0,0,0,0|1,0,1]=4 43 B7R0.13 CC[C@](C)(N)C(=O)O 29949 [1,1,0,0,0,0|1,0,1]=4 44 B7R0.13 CC[C@](C)(N)C(=O)O 35837 [1,1,0,0,0,0|1,0,1]=4 45 B7R0.13 C[C@@](N)(CS)C(=O)O 28165 [1,1,0,0,0,0|0,1,1]=4 46 B7R0.13 C[C@](N)(CO)C(=O)O 25597 [1,1,0,0,0,0|0,0,1]=3 47 B7R0.15 CC[C@H](CO)C(=O)O 14232 [1,1,0,0,0,0|1,0,1]=4 48 B7R1.25 CC1(CN)COC1 24311 [1,0,0,1,0,0|2,0,0]=4 49 B7R1.25 CC1(CO)COC1 14170 [1,0,0,1,0,0|1,0,0]=3 50 B7R1.29 OCC1(CO)CC1 15258 [1,0,0,1,0,0|1,0,0]=3 51 B7R1.1 BrCC1CCOC1 24395 [1,0,0,1,0,0|2,0,0]=4 52 B7R1.1 NC[C@@H]1CCOC1 20493 [1,0,0,1,0,0|2,0,0]=4 53 B7R1.1 NC[C@H]1CCOC1 20502 [1,0,0,1,0,0|2,0,0]=4 54 B7R1.1 OCC1CCCC1 3097 [1,0,0,1,0,0|2,0,0]=4 55 B7R1.1 OCC1CCNC1 15733 [1,0,0,1,0,0|2,0,0]=4 56 B7R1.1 OCC1CCNC1 15883 [1,0,0,1,0,0|2,0,0]=4 57 B7R1.1 OCC1CCOC1 20510 [1,0,0,1,0,0|1,0,0]=3 58 B7R1.1 OC[C@@H]1CCNC1 18724 [1,0,0,1,0,0|2,0,0]=4 59 B7R1.1 OC[C@H]1CCNC1 18723 [1,0,0,1,0,0|2,0,0]=4 60 B9R1.204 OCC1(CO)CCCC1 27706 [0,1,0,1,0,0|2,0,0]=4 61 B9R1.163 NC1(C(=O)O)CCOC1 15117 [0,1,0,1,0,0|1,0,1]=4 62 B9R1.163 N[C@@]1(C(=O)O)CCOC1 24358 [0,1,0,1,0,0|1,0,1]=4 63 B9R1.163 N[C@]1(C(=O)O)CCOC1 24359 [0,1,0,1,0,0|1,0,1]=4