0 B10R0.98 N=C(N)NCC[C@H](N)C(=O)O I11722 [0,1,0,0,0,0|3,0,0]=4 1 B10R1.54 O=C(O)C[C@@H]1CNC(=O)C1 AC5906 [0,0,0,1,0,0|2,0,0]=3 2 B10R1.54 O=C(O)C[C@@H]1CNC(=O)C1 AT19060 [0,0,0,1,0,0|2,0,0]=3 3 B10R1.54 O=C(O)C[C@@H]1CNC(=O)C1 AT19061 [0,0,0,1,0,0|2,0,0]=3 4 B10R1.54 O=C(O)C[C@H]1CCC(=O)N1 AT18838 [0,0,0,1,0,0|1,0,0]=2 5 B10R1.82 O=C(O)C#CC1CC(=O)C1 E73151 [0,0,0,1,0,0|1,0,2]=4 6 B10R1.113 CC(=O)[C@H]1CCCC(=O)C1 F53683 [0,0,0,1,0,0|2,0,0]=3 7 B10R1.113 CC(=O)[C@H]1CCNC(=O)C1 AC9648 [0,0,0,1,0,0|3,0,0]=4 8 B10R1.113 NC(=O)[C@H]1CCCC(=O)C1 D86046 [0,0,0,1,0,0|2,0,0]=3 9 B10R1.113 N[C@H]1CCC[C@H](C(=O)O)C1 P11799 [0,0,0,1,0,0|2,0,1]=4 10 B10R1.113 O=C(O)C1=C[S@@](=O)CCC1 E73329 [0,0,0,1,0,0|2,0,1]=4 11 B10R1.113 O=C(O)C1CC(O)CCN1 F53697 [0,0,0,1,0,0|2,0,1]=4 12 B10R1.113 O=C(O)C1CS(=O)CCN1 E72832 [0,0,0,1,0,0|3,0,0]=4 13 B10R1.113 O=C1CCN[C@H](C(=O)O)C1 AT10792 [0,0,0,1,0,0|2,0,0]=3 14 B10R1.113 O=C1CCN[C@H](C(=O)O)C1 FD7137 [0,0,0,1,0,0|2,0,0]=3 15 B10R1.113 O=C1CCO[C@H](C(=O)O)C1 AT12462 [0,0,0,1,0,0|2,0,0]=3 16 B10R1.113 O=C1COC[C@@H](C(=O)O)N1 D74843 [0,0,0,1,0,0|2,0,0]=3 17 B10R1.128 O=C(O)[C@H]1CCCC1(F)F AT10210 [0,0,0,1,0,0|2,0,1]=4 18 B10R1.352 O=C(O)CC[C@H]1CC1(F)F AT23750 [0,0,0,1,0,0|2,0,1]=4 19 B10R1.361 NC(=O)C1CCC1C(=O)O E72885 [0,0,0,1,0,0|1,0,0]=2 20 B10R1.361 O=C(O)[C@H]1CC[C@@H]1C(F)F E73207 [0,0,0,1,0,0|2,0,1]=4 21 B10R0.97 CC(C)=CCCCCC(=O)O AC8774 [0,0,0,0,0,1|2,0,0]=3 22 B7R0.4 CCCCC[13C](=O)O 41454 [2,0,0,0,0,0|0,0,1]=3 23 B7R0.4 NCCCCC(N)=O D77059 [2,0,0,0,0,0|2,0,0]=4 24 B7R0.4 O=C(O)COCCBr C70239 [2,0,0,0,0,0|2,0,0]=4 25 B7R0.4 O=C(O)COCCF AT25496 [2,0,0,0,0,0|2,0,0]=4 26 B9R0.2 CNCCOCCC(=O)O C70436 [1,1,0,0,0,0|2,0,0]=4 27 B9R0.4 CCCC[C@H](C)CC(=O)O AC9392 [1,1,0,0,0,0|1,0,1]=4 28 B9R0.46 C#CCCCCC(=O)OC AT21754 [1,1,0,0,0,0|1,0,1]=4 29 B9R0.46 COC(=O)CCOCCO C70644 [1,1,0,0,0,0|1,0,1]=4 30 B9R0.46 COC(=O)CSCCCO AT19328 [1,1,0,0,0,0|1,0,1]=4 31 B9R0.53 C\C(=C/C(=O)O)CC(=O)O AT26596 [0,1,0,0,1,0|0,0,2]=4 32 B11R0.318 N[C@@H](CCOP(=O)(O)O)C(=O)O A11702 [0,2,0,0,0,0|2,0,0]=4 33 B11R0.150 N[C@@H](CNC(=O)C(=O)O)C(=O)O O10211 [0,2,0,0,0,0|1,0,1]=4 34 B9R1.2 O=C1CCC[C@H](CO)N1 C14538 [1,0,0,1,0,0|1,0,1]=4 35 B9R1.2 O=C1CCC[C@H](CO)N1 P11606 [1,0,0,1,0,0|1,0,1]=4 36 B9R1.7 O=C1CC[C@H](CCO)N1 AT18821 [1,0,0,1,0,0|1,0,1]=4 37 B9R1.7 O=C1CC[C@H](CCO)N1 AT18837 [1,0,0,1,0,0|1,0,1]=4 38 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O AT13968 [1,0,0,1,0,0|1,0,1]=4 39 B9R1.41 O=C(O)C1CCCC1O AT25921 [1,0,0,1,0,0|0,0,1]=3 40 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O P10890 [1,0,0,1,0,0|1,0,1]=4 41 B9R1.84 O=C(O)CCC1CNC1 AT26044 [1,0,0,1,0,0|2,0,0]=4 42 B9R1.84 O=C(O)CCC1COC1 52191 [1,0,0,1,0,0|2,0,0]=4 43 B9R1.96 O=C(O)C1CCC1CO D75979 [1,0,0,1,0,0|0,0,1]=3 44 B9R1.35 CC(=O)[C@H]1CCC(=O)C1 F53422 [0,0,0,1,1,0|2,0,0]=4 45 B9R1.35 CC(=O)[C@H]1CCC(=O)C1 F53666 [0,0,0,1,1,0|2,0,0]=4 46 B9R1.35 O=C(O)[C@H]1CC[C@H](O)C1 83546 [0,0,0,1,1,0|1,0,1]=4 47 B9R1.35 O=C1CC[C@@H](C(=O)Cl)O1 AT19707 [0,0,0,1,1,0|1,0,0]=3 48 B9R1.35 O=C1CC[C@@H](C(=O)Cl)O1 AT19708 [0,0,0,1,1,0|1,0,0]=3 49 B9R1.35 O=C1CC[C@@H](C(=O)Cl)O1 AT19709 [0,0,0,1,1,0|1,0,0]=3 50 B9R1.35 O=C1NC[C@@H](C(=O)O)O1 AT13973 [0,0,0,1,1,0|1,0,0]=3 51 B9R1.35 O=C1N[C@H](C(=O)O)CS1 AT21690 [0,0,0,1,1,0|2,0,0]=4 52 B9R1.53 CC(=O)C[C@H]1CC(=O)N1 E73222 [0,0,0,1,1,0|2,0,0]=4 53 B9R1.53 O=C(O)C[C@H]1C[C@@H](O)C1 AT10150 [0,0,0,1,1,0|1,0,1]=4 54 B9R1.53 O=C(O)C[C@H]1C[C@H](O)C1 AT10149 [0,0,0,1,1,0|1,0,1]=4 55 B11R1.157 O=C(O)C[C@H]1CCCC(=O)N1 E72879 [0,0,0,1,0,1|1,0,0]=3 56 B11R1.178 O=C(O)C1=C(C(=O)O)CCC1 E10148 [0,0,0,1,0,1|0,0,1]=3 57 B11R1.178 O=C(O)C1COCC1C(=O)O AT14478 [0,0,0,1,0,1|0,0,0]=2 58 B11R1.178 O=C(O)[C@@H]1COC[C@@H]1C(=O)O AT22262 [0,0,0,1,0,1|0,0,0]=2 59 B11R1.234 O=C(O)C[C@H]1CCCS1(=O)=O D77939 [0,0,0,1,0,1|1,0,1]=4 60 B11R1.710 O=C(O)C[C@H]1CCS(=O)(=O)N1 P12817 [0,1,0,1,0,0|1,0,1]=4 61 B11R1.20 C=C1CCC(CC(=O)O)CC1 AT14586 [0,1,0,1,0,0|2,0,0]=4 62 B11R1.23 C=C1CCC[C@H](C(=O)OC)C1 AT23744 [0,1,0,1,0,0|2,0,0]=4 63 B11R1.23 CCC(=O)[C@H]1CCCC(=O)C1 F53409 [0,1,0,1,0,0|2,0,0]=4 64 B11R1.23 COC(=O)[C@@H]1CC(=O)CCN1 38136 [0,1,0,1,0,0|2,0,0]=4 65 B11R1.23 COC(=O)[C@@H]1CC(=O)CCO1 AT14695 [0,1,0,1,0,0|2,0,0]=4 66 B11R1.23 COC(=O)[C@@H]1CSCC(=O)C1 AT12974 [0,1,0,1,0,0|2,0,0]=4 67 B11R1.23 COC(=O)[C@H]1CCC[C@H](O)C1 P20240 [0,1,0,1,0,0|1,0,1]=4 68 B11R1.39 COC(=O)C[C@H]1CCC(=O)C1 88863 [0,1,0,1,0,0|1,0,0]=3 69 B11R1.39 COC(=O)C[C@H]1CCC(=O)N1 AT14441 [0,1,0,1,0,0|1,0,0]=3 70 B11R1.39 COC(=O)C[C@H]1CCC(=O)N1 AT14445 [0,1,0,1,0,0|1,0,0]=3 71 B11R1.704 N[C@H](C(=O)O)[C@H]1C[C@@H]1C(=O)O AT10286 [0,1,0,1,0,0|0,0,0]=2 72 B11R1.1386 C[C@@]1(C(=O)O)CCCS1(=O)=O E73247 [0,1,0,1,0,0|1,0,1]=4 73 B11R2.530 O=C(O)[C@@H]1[C@H]2C(=O)NC[C@@H]12 AT19058 [0,0,0,2,0,0|2,0,0]=4 74 B7R0.6 O=C(O)CCB(O)O E72861 [0,0,0,0,2,0|1,0,1]=4