0 B8R0.4 NCCCCCCCO D74762 [1,0,0,0,0,0|2,0,1]=4 1 B8R0.7 CN(C)CCCCCN D83961 [1,0,0,0,0,0|3,0,0]=4 2 B8R0.7 NCCOCCC(=O)O C72750 [1,0,0,0,0,0|3,0,0]=4 3 B10R0.74 COC(=O)CCCCCCO W16829 [0,1,0,0,0,0|1,0,0]=2 4 B10R1.1 N[C@H]1CC[C@H](CCO)CC1 P16378 [0,0,0,1,0,0|2,0,1]=4 5 B10R1.2 CN1C(=O)COC[C@@H]1CO 56558 [0,0,0,1,0,0|3,0,0]=4 6 B10R1.15 COC(=O)[C@@H]1CCCCS1 D96792 [0,0,0,1,0,0|2,0,0]=3 7 B10R1.15 CSC(=S)N1CCCCC1 C76220 [0,0,0,1,0,0|2,1,0]=4 8 B10R1.15 N[C@@H](CO)C1CCCCC1 Y14570 [0,0,0,1,0,0|2,0,1]=4 9 B10R1.99 COC(=O)[C@H]1C[C@@H]1CCO F50052 [0,0,0,1,0,0|2,0,0]=3 10 B7R0.3 CNC(=O)CCCO F10217 [2,0,0,0,0,0|2,0,0]=4 11 B7R0.4 CC(=O)OCCCO Y14698 [2,0,0,0,0,0|2,0,0]=4 12 B9R0.4 CCCC[C@H](N)CC(=O)O D85241 [1,1,0,0,0,0|1,0,0]=3 13 B9R0.4 CCCC[C@H](N)CC(=O)O D85242 [1,1,0,0,0,0|1,0,0]=3 14 B11R0.4 CCCCC\C=C\C(=O)OCC D75938 [0,2,0,0,0,0|0,0,1]=3 15 B11R0.4 CCOC(=O)CCCCCCCl AC9325 [0,2,0,0,0,0|0,0,0]=2 16 B9R1.8 CCCN1CCNCC1 D87901 [1,0,0,1,0,0|2,0,0]=4 17 B9R1.8 CCC[C@H]1CCCCN1 Y10909 [1,0,0,1,0,0|1,0,1]=4 18 B9R1.49 N[C@H]1CCCC(=O)NC1 F19780 [1,0,0,1,0,0|2,0,0]=4 19 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N P15218 [1,0,0,1,0,0|2,0,0]=4 20 B9R1.132 CN1C(=O)CC[C@@H]1CN 94191 [1,0,0,1,0,0|2,0,0]=4 21 B9R1.132 CN1C(=O)CC[C@@H]1CN 94192 [1,0,0,1,0,0|2,0,0]=4 22 B9R1.6 O=C(O)[C@H]1CCCOC1 85696 [1,0,0,1,0,0|2,0,0]=4 23 B9R1.6 O=C(O)[C@H]1CCCOC1 85697 [1,0,0,1,0,0|2,0,0]=4 24 B9R1.41 C[C@H]1CCN[C@@H]1C(=O)O D74783 [1,0,0,1,0,0|2,0,0]=4 25 B9R1.41 C[C@H]1NCC[C@@H]1C(=O)O P20919 [1,0,0,1,0,0|2,0,0]=4 26 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O 97382 [1,0,0,1,0,0|2,0,0]=4 27 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O F12971 [1,0,0,1,0,0|2,0,0]=4 28 B9R1.59 CCO[C@H]1C[C@@H]1C(=O)O P20096 [1,0,0,1,0,0|2,0,0]=4 29 B11R1.24 CCCCC1=CC(=O)CCC1 D94147 [0,1,0,1,0,0|0,0,2]=4 30 B11R1.112 CCOC(=O)[C@H]1C[C@@H]1CC#N P16214 [0,1,0,1,0,0|1,0,1]=4 31 B11R1.112 CCOC(=O)[C@H]1C[C@H]1CC#N P15487 [0,1,0,1,0,0|1,0,1]=4 32 B11R1.199 CCOC(=O)[C@H]1CNC[C@@H]1O P18210 [0,1,0,1,0,0|2,0,0]=4 33 B11R1.196 COC(=O)C[C@H](N)C1CCC1 W19551 [0,1,0,1,0,0|1,0,0]=3 34 B11R1.222 COC(=O)C1CCNCC1F P16241 [0,1,0,1,0,0|2,0,0]=4 35 B11R1.222 COC(=O)[C@@H]1CCCC[C@@H]1N P19164 [0,1,0,1,0,0|1,0,0]=3 36 B11R1.222 COC(=O)[C@@H]1COCC[C@@H]1N P17693 [0,1,0,1,0,0|2,0,0]=4 37 B11R1.222 COC(=O)[C@H]1CNCC[C@@H]1C D79695 [0,1,0,1,0,0|1,0,0]=3 38 B11R1.222 COC(=O)[C@H]1CNCC[C@@H]1C D79696 [0,1,0,1,0,0|1,0,0]=3 39 B11R1.222 COC(=O)[C@H]1CNCC[C@H]1C D79694 [0,1,0,1,0,0|1,0,0]=3 40 B11R1.264 COC(=O)CC1CC(CO)C1 33804 [0,1,0,1,0,0|2,0,0]=4 41 B11R1.23 COC(=O)[C@@H]1CNC[C@H](C)C1 P16256 [0,1,0,1,0,0|2,0,0]=4 42 B11R1.23 COC(=O)[C@@H]1C[C@@H](O)CCN1 AC2343 [0,1,0,1,0,0|2,0,0]=4 43 B11R1.23 COC(=O)[C@H]1CCN[C@@H](C)C1 P19718 [0,1,0,1,0,0|2,0,0]=4 44 B11R1.22 COC(=O)[C@H]1CC[C@@H](C)NC1 C13702 [0,1,0,1,0,0|2,0,0]=4 45 B11R1.22 COC(=O)[C@H]1CC[C@H](C)NC1 P16384 [0,1,0,1,0,0|2,0,0]=4 46 B11R1.44 COC(=O)[C@H]1CC[C@@H](CO)C1 P16294 [0,1,0,1,0,0|2,0,0]=4 47 B11R1.82 NCCC1CCS(=O)(=O)CC1 37726 [0,1,0,1,0,0|2,0,0]=4 48 B11R2.742 O=C1CCC2(CC1)CSC2 D73453 [0,0,0,2,0,0|1,0,0]=3 49 B11R2.1 O=C1CC[C@H]2CNCCN12 37768 [0,0,0,2,0,0|2,0,0]=4 50 B11R2.1 O=C1CC[C@H]2CNCCN12 P11138 [0,0,0,2,0,0|2,0,0]=4 51 B11R2.12 O=C1NC[C@@]12CCCNC2 P18250 [0,0,0,2,0,0|2,0,0]=4 52 B11R2.911 COC(=O)[C@H]1NC[C@@H]2C[C@H]12 P15066 [0,0,0,2,0,0|2,0,0]=4 53 B11R2.911 COC(=O)[C@H]1NC[C@H]2C[C@H]21 P13394 [0,0,0,2,0,0|2,0,0]=4 54 B11R2.914 COC(=O)[C@H]1C[C@@H]2O[C@@H]2C1 33784 [0,0,0,2,0,0|2,0,0]=4 55 B11R2.748 O=C1CCC2(C1)OCCO2 97648 [0,0,0,2,0,0|2,0,0]=4 56 B11R2.748 O=C1CC[C@@]2(CCNC2)N1 38006 [0,0,0,2,0,0|2,0,0]=4 57 B11R2.63 CN1C2CCC(=O)C1CC2 P13193 [0,0,0,2,0,0|1,0,0]=3