0 B10R1.15 COC(=O)[C@@H]1CCCCS1 D96792 [1,0,0,0,0,0|1,0,0]=2 1 B10R1.15 CSC(=S)N1CCCCC1 C76220 [1,0,0,0,0,0|1,2,0]=4 2 B10R1.15 N[C@@H](CO)C1CCCCC1 Y14570 [1,0,0,0,0,0|2,0,1]=4 3 B12R1.16 CCOC(=O)C1CCC(O)CO1 38921 [0,1,0,0,0,0|1,0,0]=2 4 B12R1.16 CCOC(=O)[C@@H]1CCC(=O)CO1 P13576 [0,1,0,0,0,0|1,0,1]=3 5 B12R1.16 CCOC(=O)[C@@H]1CC[C@@H](N)CO1 P13581 [0,1,0,0,0,0|1,0,0]=2 6 B12R1.308 CCOC(=O)[C@@H]1CCCC[C@@H]1N 74393 [0,1,0,0,0,0|0,0,0]=1 7 B12R1.308 CCOC(=O)[C@@H]1CCCOC1=O P14039 [0,1,0,0,0,0|1,0,1]=3 8 B12R1.308 CCOC(=O)[C@@H]1OCCCC1=O P13988 [0,1,0,0,0,0|1,0,1]=3 9 B12R2.8 O=C1COCC12CCNCC2 P20870 [0,0,0,1,0,0|3,0,0]=4 10 B12R2.1081 O=C1CCC[C@H]2CNCCN12 98001 [0,0,0,1,0,0|3,0,0]=4 11 B12R2.1081 O=C1NCCC2CNCCC12 56613 [0,0,0,1,0,0|2,0,0]=3 12 B12R2.1469 CCOC(=O)C12CC1CCN2 W14308 [0,0,0,1,0,0|1,0,0]=2 13 B12R2.1479 CCOC(=O)C1C2CNCC21 AC2310 [0,0,0,1,0,0|1,0,0]=2 14 B12R2.1479 CCOC(=O)C1C2COCC21 F30796 [0,0,0,1,0,0|1,0,0]=2 15 B10R1.11 CCOC(=O)[C@@H]1CCON1 AT25326 [0,0,0,0,1,0|2,0,0]=3 16 B12R1.32 CCOC(=O)C[C@H]1CCCNC1 61924 [0,0,0,0,0,1|1,0,0]=2 17 B12R1.1564 CCOC(=O)[C@H]1CCCCNC1 81207 [0,0,0,0,0,1|0,0,0]=1 18 B9R0.5 CCCCNC(=O)CCC D86376 [1,0,1,0,0,0|2,0,0]=4 19 B9R1.6 O=C(O)[C@H]1CCCOC1 85696 [2,0,0,0,0,0|1,0,0]=3 20 B9R1.6 O=C(O)[C@H]1CCCOC1 85697 [2,0,0,0,0,0|1,0,0]=3 21 B9R1.8 CCC[C@H]1CCCCN1 Y10909 [2,0,0,0,0,0|1,0,1]=4 22 B9R1.8 COC[C@H]1CCCCN1 C76178 [2,0,0,0,0,0|1,0,1]=4 23 B11R0.4 CCCCC\C=C\C(=O)OCC D75938 [0,1,1,0,0,0|0,0,1]=3 24 B11R0.4 CCOC(=O)CCCCCCCl AC9325 [0,1,1,0,0,0|0,0,0]=2 25 B11R1.22 COC(=O)[C@H]1CC[C@@H](C)NC1 C13702 [1,1,0,0,0,0|1,0,0]=3 26 B11R1.22 COC(=O)[C@H]1CC[C@H](C)NC1 P16384 [1,1,0,0,0,0|1,0,0]=3 27 B11R1.23 COC(=O)[C@@H]1CNC[C@H](C)C1 P16256 [1,1,0,0,0,0|1,0,0]=3 28 B11R1.23 COC(=O)[C@@H]1COCC(=O)C1 P17472 [1,1,0,0,0,0|1,0,1]=4 29 B11R1.23 COC(=O)[C@@H]1C[C@@H](O)CCN1 AC2343 [1,1,0,0,0,0|1,0,0]=3 30 B11R1.23 COC(=O)[C@H]1CCN[C@@H](C)C1 P19718 [1,1,0,0,0,0|1,0,0]=3 31 B11R1.222 COC(=O)C1=C(Br)CCCC1 AC8446 [1,1,0,0,0,0|0,0,2]=4 32 B11R1.222 COC(=O)C1CCNCC1F P16241 [1,1,0,0,0,0|1,0,0]=3 33 B11R1.222 COC(=O)[C@@H]1CCCC[C@@H]1N P19164 [1,1,0,0,0,0|0,0,0]=2 34 B11R1.222 COC(=O)[C@@H]1COCC[C@@H]1N P17693 [1,1,0,0,0,0|1,0,0]=3 35 B11R1.222 COC(=O)[C@H]1CNCC[C@@H]1C D79695 [1,1,0,0,0,0|1,0,0]=3 36 B11R1.222 COC(=O)[C@H]1CNCC[C@@H]1C D79696 [1,1,0,0,0,0|1,0,0]=3 37 B11R1.222 COC(=O)[C@H]1CNCC[C@H]1C D79694 [1,1,0,0,0,0|1,0,0]=3 38 B11R1.199 CCOC(=O)[C@H]1CNC[C@@H]1O P18210 [0,1,0,0,1,0|1,0,0]=3 39 B13R1.19 CCOC(=O)C[C@H]1CC[C@H](O)CC1 C13025 [0,1,0,0,0,1|0,0,0]=2 40 B13R1.466 CCOC(=O)[C@@H]1CC[C@H](O)[C@@H](F)C1 P17990 [0,2,0,0,0,0|0,0,0]=2 41 B13R1.4446 CCOC(=O)[C@]1(C)CC[C@H](N)CC1 P20252 [0,2,0,0,0,0|0,0,0]=2 42 B13R1.352 CC(C)(C)OC(=O)[C@H]1CCCNC1 AT21702 [0,2,0,0,0,0|1,0,0]=3 43 B13R1.465 CCOC(=O)[C@H]1CNCCC1(F)F W15318 [0,2,0,0,0,0|1,0,0]=3 44 B13R1.1546 CCOC(=O)[C@@]1(F)CCCCC1=O AC8744 [0,2,0,0,0,0|0,0,1]=3 45 B11R1.112 CCOC(=O)[C@H]1C[C@@H]1CC#N P16214 [0,0,1,1,0,0|1,0,1]=4 46 B11R1.112 CCOC(=O)[C@H]1C[C@H]1CC#N P15487 [0,0,1,1,0,0|1,0,1]=4 47 B11R2.1 O=C1CC[C@H]2CNCCN12 37768 [1,0,0,1,0,0|2,0,0]=4 48 B11R2.1 O=C1CC[C@H]2CNCCN12 P11138 [1,0,0,1,0,0|2,0,0]=4 49 B11R2.12 O=C1NC[C@@]12CCCNC2 P18250 [1,0,0,1,0,0|2,0,0]=4 50 B11R2.911 COC(=O)[C@H]1NC[C@@H]2C[C@H]12 P15066 [1,0,0,1,0,0|1,0,0]=3 51 B11R2.911 COC(=O)[C@H]1NC[C@H]2C[C@H]21 P13394 [1,0,0,1,0,0|1,0,0]=3 52 B11R2.914 COC(=O)[C@H]1C[C@@H]2O[C@@H]2C1 33784 [1,0,0,1,0,0|1,0,0]=3 53 B11R2.3 O=C1NCC[C@@]12CCCN2 C13823 [0,0,0,1,1,0|2,0,0]=4 54 B13R2.11128 O=C1CCCC2(CCCCC2)C1 F14293 [0,0,0,1,0,1|1,0,0]=3 55 B13R2.11128 O=C1CCCC2(CCNCC2)N1 P11461 [0,0,0,1,0,1|2,0,0]=4 56 B13R2.821 CCOC(=O)C1[C@H]2CC(=O)C[C@@H]12 D79614 [0,1,0,1,0,0|0,0,1]=3 57 B13R2.822 CCOC(=O)[C@@H]1[C@H]2C(=O)CC[C@H]21 C13843 [0,1,0,1,0,0|0,0,1]=3 58 B13R2.856 CCOC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 81398 [0,1,0,1,0,0|1,0,0]=3 59 B13R2.59 CN1CNC(=O)C12CCNCC2 P12824 [0,1,0,1,0,0|2,0,0]=4