0 B7R0.18 CCC(N)(CO)CO NO21221 [0,0,0,0,0,0|1,0,0]=1 1 B7R0.18 C[N+](CO)(CO)CO DY523995 [0,0,0,0,0,0|2,0,0]=2 2 B6R0.8 C=CC(C)(N)CO DY500685 [1,0,0,0,0,0|1,0,1]=3 3 B6R0.8 CC(C)(C#N)CO NO13572 [1,0,0,0,0,0|2,0,1]=4 4 B6R0.8 CC(C)(C=O)CO DY21089 [1,0,0,0,0,0|1,0,2]=4 5 B6R0.8 CC(C)(CBr)CBr NO20516 [1,0,0,0,0,0|3,0,0]=4 6 B6R0.8 CC(C)(CN)CO NO22037 [1,0,0,0,0,0|2,0,0]=3 7 B6R0.8 CC(C)(CO)CO DY514971 [1,0,0,0,0,0|1,0,0]=2 8 B6R0.8 CC(N)(C#N)CO DY512793 [1,0,0,0,0,0|1,0,1]=3 9 B6R0.8 CCC(C)(N)C#N NO17000 [1,0,0,0,0,0|2,0,1]=4 10 B6R0.9 C=CC(CC)CO DY822489 [1,0,0,0,0,0|2,0,1]=4 11 B8R0.10 OCC(CBr)(CBr)CBr NO13741 [0,1,0,0,0,0|3,0,0]=4 12 B8R0.10 OCC(CO)(CO)CO DY791751 [0,1,0,0,0,0|1,0,0]=2 13 B8R0.10 OCC(CO)(CO)NO DY565551 [0,1,0,0,0,0|0,0,0]=1 14 B8R0.10 OC[P+](CO)(CO)CO DY796365 [0,1,0,0,0,0|2,0,0]=3 15 B8R0.31 CCC(O)(CC)CCO DY572211 [0,1,0,0,0,0|3,0,0]=4 16 B8R0.36 CC(CO)(CO)C(=O)O NO20965 [0,1,0,0,0,0|1,0,1]=3 17 B8R1.52 CC1(CBr)CCOC1 DY104228 [0,0,0,1,0,0|3,0,0]=4 18 B8R1.52 CC1(CN)CCOC1 DY103499 [0,0,0,1,0,0|3,0,0]=4 19 B8R1.52 CCC1(N)CCCC1 DY603592 [0,0,0,1,0,0|3,0,0]=4 20 B8R1.52 NC1(CO)CCOC1 DY103469 [0,0,0,1,0,0|1,0,0]=2 21 B8R1.60 ClCC1(CCl)COC1 DY41664 [0,0,0,1,0,0|3,0,0]=4 22 B8R1.60 NCC1(CO)COC1 NO22100 [0,0,0,1,0,0|2,0,0]=3 23 B8R1.60 OCC1(CBr)COC1 NO22180 [0,0,0,1,0,0|2,0,0]=3 24 B5R0.3 C=C(CO)CO NO21689 [2,0,0,0,0,0|0,0,2]=4 25 B5R0.3 C=CC(N)CO DY579231 [2,0,0,0,0,0|1,0,1]=4 26 B5R0.3 C=C[C@H](O)CO DY625759 [2,0,0,0,0,0|1,0,1]=4 27 B5R0.3 CCC(N)CO DY20718 [2,0,0,0,0,0|1,0,0]=3 28 B5R0.3 CCC(N)CO DY741331 [2,0,0,0,0,0|1,0,0]=3 29 B5R0.3 CCC(O)CN DY519471 [2,0,0,0,0,0|2,0,0]=4 30 B5R0.3 CCC(O)CO DY822703 [2,0,0,0,0,0|1,0,0]=3 31 B5R0.3 CC[C@@H](N)CO NO15119 [2,0,0,0,0,0|1,0,0]=3 32 B5R0.3 CC[C@H](N)CO DY10528 [2,0,0,0,0,0|1,0,0]=3 33 B5R0.3 CC[C@H](O)CO NO15622 [2,0,0,0,0,0|1,0,0]=3 34 B5R0.3 CO[C@H](C)CO NO12306 [2,0,0,0,0,0|2,0,0]=4 35 B5R0.3 NC(CO)CO NO18352 [2,0,0,0,0,0|0,0,0]=2 36 B5R0.3 NCC(O)CN NO14232 [2,0,0,0,0,0|2,0,0]=4 37 B5R0.3 NCC(O)CO NO18397 [2,0,0,0,0,0|1,0,0]=3 38 B5R0.3 NC[C@@H](O)CO NO14832 [2,0,0,0,0,0|1,0,0]=3 39 B5R0.3 NC[C@H](O)CCl DY427329 [2,0,0,0,0,0|2,0,0]=4 40 B5R0.3 NC[C@H](O)CO DY20311 [2,0,0,0,0,0|1,0,0]=3 41 B5R0.3 O=C(CO)CO NO11245 [2,0,0,0,0,0|0,0,2]=4 42 B5R0.3 OC[C@@H](O)CCl NO15061 [2,0,0,0,0,0|1,0,0]=3 43 B5R0.3 OC[C@H](O)CCl DY20314 [2,0,0,0,0,0|1,0,0]=3 44 B5R0.4 CC(C)(Br)CBr DY796695 [2,0,0,0,0,0|2,0,0]=4 45 B5R0.4 CC(C)(C)CN NO11775 [2,0,0,0,0,0|2,0,0]=4 46 B5R0.4 CC(C)(C)OO DY741391 [2,0,0,0,0,0|2,0,0]=4 47 B5R0.4 CC(C)(N)C#N DY536241 [2,0,0,0,0,0|1,0,1]=4 48 B5R0.4 CC(C)(N)C#N NO15395 [2,0,0,0,0,0|1,0,1]=4 49 B5R0.4 CC(C)(O)CN NO20593 [2,0,0,0,0,0|2,0,0]=4 50 B5R0.4 CCC(C)(C)[O-] DY822652 [2,0,0,0,0,0|2,0,0]=4 51 B5R0.4 CCC(C)(C)[O-] DY822653 [2,0,0,0,0,0|2,0,0]=4 52 B7R0.13 CC(C)(CO)C(=O)O NO19743 [1,1,0,0,0,0|1,0,1]=4 53 B7R0.13 CC(C)(CO)C(F)F DY539595 [1,1,0,0,0,0|2,0,0]=4 54 B7R0.13 CC(N)(CO)C(=O)O DY559497 [1,1,0,0,0,0|0,0,1]=3 55 B7R0.13 CCC(C)(N)C(=O)O DY628689 [1,1,0,0,0,0|1,0,1]=4 56 B7R0.15 CC[C@H](CO)C(=O)O DY621945 [1,1,0,0,0,0|1,0,1]=4 57 B7R1.14 CC1(N)CCCC1 DY502389 [1,0,0,1,0,0|2,0,0]=4 58 B7R1.25 CC1(CBr)COC1 NO22179 [1,0,0,1,0,0|2,0,0]=4 59 B7R1.25 CC1(CCl)COC1 DY573177 [1,0,0,1,0,0|2,0,0]=4 60 B7R1.25 CC1(CN)COC1 NO22390 [1,0,0,1,0,0|2,0,0]=4 61 B7R1.25 CC1(CO)COC1 NO16968 [1,0,0,1,0,0|1,0,0]=3 62 B7R1.25 CC1(CS)COC1 DY115780 [1,0,0,1,0,0|1,1,0]=4 63 B7R1.25 NCC1(N)CCC1 NO17914 [1,0,0,1,0,0|2,0,0]=4 64 B7R1.25 OCC1(F)CNC1 DY459035 [1,0,0,1,0,0|2,0,0]=4 65 B7R1.25 OCC1(O)CNC1 DY718774 [1,0,0,1,0,0|2,0,0]=4 66 B7R1.29 OCC1(CO)CC1 DY20742 [1,0,0,1,0,0|1,0,0]=3 67 B7R1.1 NC[C@H]1CCOC1 DY102307 [1,0,0,1,0,0|2,0,0]=4 68 B7R1.1 OCC1CC=CC1 NO20734 [1,0,0,1,0,0|2,0,0]=4 69 B7R1.1 OCC1CCCC1 NO11185 [1,0,0,1,0,0|2,0,0]=4 70 B7R1.1 OCC1CCNC1 NO11284 [1,0,0,1,0,0|2,0,0]=4 71 B7R1.1 OCC1CCNC1 NO16764 [1,0,0,1,0,0|2,0,0]=4 72 B7R1.1 OCC1CCNC1 NO18341 [1,0,0,1,0,0|2,0,0]=4 73 B7R1.1 OC[C@@H]1CCNC1 DY115660 [1,0,0,1,0,0|2,0,0]=4 74 B9R1.118 CCC1(N)CCCOC1 DY508382 [0,1,0,1,0,0|2,0,0]=4 75 B9R1.118 NC1(CO)CCNCC1 DY569067 [0,1,0,1,0,0|2,0,0]=4 76 B9R1.118 NC1(CO)CCOCC1 DY444316 [0,1,0,1,0,0|1,0,0]=3 77 B9R1.124 OCC1(CO)CC(O)C1 DY532719 [0,1,0,1,0,0|1,0,0]=3 78 B9R1.175 COCC1(CO)COC1 DY529899 [0,1,0,1,0,0|1,0,0]=3 79 B9R1.175 NCC1(CCO)COC1 DY115696 [0,1,0,1,0,0|2,0,0]=4 80 B9R1.163 NC1(C(=O)O)CCOC1 DY20730 [0,1,0,1,0,0|1,0,1]=4