0 B9R1.35 O=C(O)[C@@H]1NC[C@@H](O)C1 BCP17069 [0,0,0,0,0,0|0,0,0]=0 1 B9R1.35 O=C(O)[C]1C[C@H](CN1)O BCP16291 [0,0,0,0,0,0|0,0,1]=1 2 B9R1.35 O=C(O)[C]1NC[C@@H](O)C1 BCP14276 [0,0,0,0,0,0|0,0,1]=1 3 B9R1.35 O=C(O)[C]1NC[C@@H](O)C1 BCP21137 [0,0,0,0,0,0|0,0,1]=1 4 B9R1.35 O=C1CC[C@@H](N1)C(=O)O BCP09505 [0,0,0,0,0,0|2,0,2]=4 5 B9R1.35 O[C@@H]1C[C](C(O)=O)NC1 BCP10481 [0,0,0,0,0,0|0,0,1]=1 6 B9R1.35 [C]1(NC[C](O)C1)C(=O)O BCP00339 [0,0,0,0,0,0|0,0,2]=2 7 B8R1.7 O=C(N)[C]1NCCC1 BCP07471 [1,0,0,0,0,0|1,0,1]=3 8 B8R1.7 O=C(O)C1=COCC1 BCP10326 [1,0,0,0,0,0|2,0,1]=4 9 B8R1.7 O=C(O)C1CNCC1 BCP04865 [1,0,0,0,0,0|2,0,0]=3 10 B8R1.7 O=C([C]1NCSC1)O BCP13616 [1,0,0,0,0,0|1,0,1]=3 11 B8R1.7 OC(=O)C1COCC1 BCP08172 [1,0,0,0,0,0|2,0,0]=3 12 B10R1.14 O=C(OC)[C]1NC[C](C1)O BCP14025 [0,1,0,0,0,0|0,0,2]=3 13 B8R0.9 C=CC(N)CCC(O)=O BCP16218 [0,0,1,0,0,0|2,0,1]=4 14 B8R0.9 C=C[C@@H](N)CCC(O)=O BCP09861 [0,0,1,0,0,0|2,0,1]=4 15 B8R0.9 NCC(=O)CCC(O)=O BCP23830 [0,0,1,0,0,0|0,0,2]=3 16 B8R0.9 O=C(O)CCC(CN)=O BCP02161 [0,0,1,0,0,0|0,0,2]=3 17 B8R0.23 C[C@@H](CC(=O)O)C(=O)O BCP23566 [0,0,1,0,0,0|2,0,1]=4 18 B8R0.23 N[C@@H](CC(O)=O)C(O)=O BCP13530 [0,0,1,0,0,0|1,0,1]=3 19 B8R1.23 CN1CC(C1)C(=O)O BCP08430 [0,0,0,0,1,0|2,0,0]=3 20 B8R1.23 O=C(C1CC(C1)=O)O BCP01232 [0,0,0,0,1,0|0,0,2]=3 21 B8R1.23 O=C(C1CC(N1)=O)O BCP06201 [0,0,0,0,1,0|0,0,2]=3 22 B8R1.23 O=C(O)[C@@H]1C[C@@H](N)C1 BCP04214 [0,0,0,0,1,0|1,0,0]=2 23 B7R0.4 O=C(O)CCCCO BCP10662 [1,0,1,0,0,0|1,0,0]=3 24 B7R0.5 CNC[C@H](N)C(O)=O BCP26260 [1,0,1,0,0,0|1,0,0]=3 25 B7R0.5 COC[C](C(O)=O)N BCP11642 [1,0,1,0,0,0|1,0,1]=4 26 B7R0.5 NC(C(O)=O)CC=C BCP04800 [1,0,1,0,0,0|0,0,2]=4 27 B7R0.5 N[C@@H](COC)C(O)=O BCP14284 [1,0,1,0,0,0|1,0,0]=3 28 B7R0.5 O=C(O)[C@@H](CCN)N BCP11565 [1,0,1,0,0,0|1,0,0]=3 29 B7R0.5 O=C(O)[C](CNC)N BCP09610 [1,0,1,0,0,0|1,0,1]=4 30 B7R1.1 O=CC1CCCC1 BCP12309 [2,0,0,0,0,0|1,0,0]=3 31 B7R1.1 OCC1CCCC1 BCP29184 [2,0,0,0,0,0|1,0,1]=4 32 B7R1.2 O=C1NCC(O)C1 BCP07569 [2,0,0,0,0,0|0,0,1]=3 33 B9R0.24 O=C(OC)CCC(CN)=O BCP08124 [0,1,1,0,0,0|0,0,2]=4 34 B9R0.79 CC(C)[C@@H](O)[C](N)C(O)=O BCP09537 [0,1,1,0,0,0|1,0,1]=4 35 B9R0.79 N[C@@H](C(O)=O)[C@@H](O)C(C)C BCP09538 [0,1,1,0,0,0|1,0,0]=3 36 B9R0.53 CC(C)C[C](N)CC(O)=O BCP11737 [0,1,1,0,0,0|2,0,0]=4 37 B9R1.11 COC(=O)C1CNCC1 BCP05702 [1,1,0,0,0,0|2,0,0]=4 38 B9R1.11 O=C(C1CCCC1)OC BCP03424 [1,1,0,0,0,0|1,0,0]=3 39 B9R1.41 O=C(O)[C]1NCC[C@@H]1O BCP07241 [1,1,0,0,0,0|0,0,1]=3 40 B9R1.163 C[C@]1(CCCN1)C(O)=O BCP18010 [1,1,0,0,0,0|0,0,0]=2 41 B9R1.163 O=C(O)[C@]1(C)NCCC1 BCP01614 [1,1,0,0,0,0|0,0,0]=2 42 B9R1.82 O=C(OC)C1CC(C1)=O BCP17549 [0,1,0,0,1,0|0,0,2]=4 43 B9R1.82 OC1CC(C(OC)=O)C1 BCP07352 [0,1,0,0,1,0|0,0,0]=2 44 B9R1.152 [18F][C@H]1C[C@@](N)(C(O)=O)C1 BCP24384 [0,1,0,0,1,0|1,0,0]=3 45 B11R1.3 O=C(C1CCC(CN)CC1)O BCP18146 [0,1,0,0,0,1|2,0,0]=4 46 B11R1.175 OC(=O)C1CCC(C1)C(=O)O BCP10069 [0,2,0,0,0,0|1,0,0]=3 47 B9R1.6 OC(=O)C1CCCOC1 BCP07723 [0,0,1,1,0,0|1,0,0]=3 48 B9R1.6 OC(=O)[C@@H]1COCCN1 BCP08155 [0,0,1,1,0,0|0,0,0]=2 49 B7R0.16 CC(C)[C@@H](N)C(O)=O BCP10545 [0,0,1,0,1,0|1,0,0]=3 50 B7R0.16 C[C]([C](C(=O)O)N)O BCP16820 [0,0,1,0,1,0|0,0,2]=4 51 B7R0.16 N[C@@H]([C@@H](O)C)C(O)=O BCP08009 [0,0,1,0,1,0|0,0,0]=2 52 B7R1.18 O=C(C1CNC1)O BCP07094 [1,0,0,0,1,0|1,0,0]=3 53 B7R1.18 OB(C1CCC1)O BCP05474 [1,0,0,0,1,0|1,0,1]=4 54 B7R1.12 O=C(O)[C@@H]1[C@@H](C1)F BCP07708 [0,0,0,0,2,0|1,0,0]=3 55 B9R1.13 C1C[C@@H](CC(=O)O)NC1 BCP11739 [1,0,0,0,0,1|0,0,0]=2