0 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 BBS-00025214 [0,0,0,0,0,0|2,0,0]=2 1 B9R1.35 O=C(O)C1CC(O)CN1 BBS-00023374 [0,0,0,0,0,0|0,0,0]=0 2 B9R1.35 O=C1CC(C(=O)O)CN1 BBS-00024553 [0,0,0,0,0,0|2,0,2]=4 3 B8R1.7 N=C(N)C1CCCC1 BBS-00032052 [1,0,0,0,0,0|3,0,0]=4 4 B8R1.7 O=C(O)C1CCCN1 BBS-00028435 [1,0,0,0,0,0|0,0,0]=1 5 B8R1.7 O=C(O)C1CCCO1 BBS-00038772 [1,0,0,0,0,0|1,0,0]=2 6 B8R1.7 O=C(O)C1CSCN1 BBS-00007512 [1,0,0,0,0,0|1,0,0]=2 7 B8R1.7 O=C(O)C1NCCS1 BBS-00038422 [1,0,0,0,0,0|1,0,0]=2 8 B8R1.7 O=C(O)[C@@H]1CCCN1 BBS-00039165 [1,0,0,0,0,0|0,0,0]=1 9 B8R1.7 OC(O)=C1CCCN1 BBS-00038898 [1,0,0,0,0,0|0,0,2]=3 10 B10R1.14 COC(=O)C1CC(O)CN1 BBS-00025908 [0,1,0,0,0,0|0,0,0]=1 11 B10R1.31 CO[C@H]1CN[C@H](C(=O)O)C1 BBS-00024645 [0,1,0,0,0,0|0,0,0]=1 12 B10R1.31 O=NN1CCC(C(=O)O)C1 BBS-00037047 [0,1,0,0,0,0|2,0,1]=4 13 B10R1.359 C[Si]1(C)CCC(C(=O)O)C1 BBS-00030056 [0,1,0,0,0,0|2,1,0]=4 14 B10R1.359 C[Si]1(C)CNC(C(=O)O)C1 BBS-00030053 [0,1,0,0,0,0|1,1,0]=3 15 B10R1.359 O=C(O)C1CCS(=O)(=O)C1 BBS-00005260 [0,1,0,0,0,0|2,0,1]=4 16 B8R0.8 CCCCC(N)C(=O)O BBS-00028478 [0,0,1,0,0,0|3,0,0]=4 17 B8R0.8 NCCCC(N)C(=O)O BBS-00028696 [0,0,1,0,0,0|3,0,0]=4 18 B8R0.15 C=CCC(CC)C(=O)O BBS-00018165 [0,0,1,0,0,0|2,0,1]=4 19 B8R0.23 CC(C)CC(N)C(=O)O BBS-00027539 [0,0,1,0,0,0|1,0,0]=2 20 B8R0.23 CC(C)C[C@H](N)C(=O)O BBS-00039169 [0,0,1,0,0,0|1,0,0]=2 21 B8R0.23 NC(=O)CC(N)C(=O)O BBS-00028459 [0,0,1,0,0,0|1,0,2]=4 22 B8R0.23 NC(CC(=O)O)C(=O)O BBS-00028490 [0,0,1,0,0,0|1,0,1]=3 23 B8R0.23 N[C@@H](CC(=O)O)C(=O)O BBS-00039167 [0,0,1,0,0,0|1,0,1]=3 24 B8R0.23 O=C(O)CC(S)C(=O)O BBS-00020845 [0,0,1,0,0,0|2,0,1]=4 25 B8R0.28 CC(C)=NNCC(=O)O BBS-00030109 [0,0,1,0,0,0|2,0,1]=4 26 B8R0.28 CC(C)NCCC(=O)O BBS-00022956 [0,0,1,0,0,0|3,0,0]=4 27 B8R0.28 CN(C)CCCC(=O)O BBS-00027570 [0,0,1,0,0,0|3,0,0]=4 28 B10R2.348 O=C(O)C12CC(C[NH2+]1)C2 BBS-00031746 [0,0,0,1,0,0|1,0,1]=3 29 B8R1.23 CC(=O)N1CC(N)C1 BBS-00036903 [0,0,0,0,1,0|3,0,0]=4 30 B8R1.23 CC1CC(C(=O)O)C1 BBS-00025082 [0,0,0,0,1,0|1,0,0]=2 31 B8R1.23 NC(=O)N1CC(N)C1 BBS-00034810 [0,0,0,0,1,0|3,0,0]=4 32 B8R1.23 O=C1CC(C(=O)O)C1 BBS-00024091 [0,0,0,0,1,0|0,0,2]=3 33 B10R1.13 O=C(O)C1CCC(F)CC1 BBS-00029415 [0,0,0,0,0,1|2,0,0]=3 34 B10R1.113 O=C(O)C1CCCC(F)C1 BBS-00030021 [0,0,0,0,0,1|2,0,0]=3 35 B10R1.113 O=C1CCCC(C(=O)O)C1 BBS-00029913 [0,0,0,0,0,1|1,0,2]=4 36 B7R0.4 CNCCCC(=O)O BBS-00027557 [1,0,1,0,0,0|2,0,0]=4 37 B7R0.4 COCCCC(=O)O BBS-00025182 [1,0,1,0,0,0|2,0,0]=4 38 B7R0.4 NCCCCC(=O)O BBS-00027472 [1,0,1,0,0,0|0,0,0]=2 39 B7R0.5 CC(=O)C(C)CCO BBS-00023798 [1,0,1,0,0,0|1,0,0]=3 40 B7R0.5 CCCC(N)C(=O)O BBS-00028258 [1,0,1,0,0,0|0,0,0]=2 41 B7R0.5 CSC[C@H](N)C(=O)O BBS-00012287 [1,0,1,0,0,0|1,0,0]=3 42 B7R0.5 NCC[C@H](N)C(=O)O BBS-00029762 [1,0,1,0,0,0|1,0,0]=3 43 B7R0.6 CC(C)CCC(=O)O BBS-00024968 [1,0,1,0,0,0|1,0,0]=3 44 B7R0.6 CN(C)CCC(=O)O BBS-00016366 [1,0,1,0,0,0|2,0,0]=4 45 B7R0.15 CCC(CC)C(=O)O BBS-00028436 [1,0,1,0,0,0|1,0,0]=3 46 B7R1.1 OCC1CCCC1 BBS-00024959 [2,0,0,0,0,0|1,0,1]=4 47 B7R1.2 [NH3+]C1CNC(=O)C1 BBS-00024551 [2,0,0,0,0,0|1,0,1]=4 48 B9R0.42 CCC(=O)N[C@@H](C)C(=O)O BBS-00034097 [0,1,1,0,0,0|1,0,1]=4 49 B9R0.33 CCCC(C(=O)O)C(C)C BBS-00025205 [0,1,1,0,0,0|2,0,0]=4 50 B9R0.57 NC(CS(=O)(=O)O)C(=O)O BBS-00028830 [0,1,1,0,0,0|2,0,0]=4 51 B9R0.53 NN(CC(=O)O)CC(=O)O BBS-00039032 [0,1,1,0,0,0|1,0,1]=4 52 B9R1.11 COC(=O)[C@@H]1CSCN1 BBS-00031009 [1,1,0,0,0,0|1,0,0]=3 53 B9R1.11 COC(=O)[C@@H]1CSCN1 BBS-00033483 [1,1,0,0,0,0|1,0,0]=3 54 B9R1.11 N\C(=N/O)C1CCCC1 BBS-00026491 [1,1,0,0,0,0|2,0,0]=4 55 B9R1.163 NC1(C(=O)O)CCCC1 BBS-00016507 [1,1,0,0,0,0|1,0,0]=3 56 B9R1.163 O=C(O)C1(O)CCCC1 BBS-00028869 [1,1,0,0,0,0|1,0,0]=3 57 B9R1.95 O=NN1CC(C(=O)O)C1 BBS-00037048 [0,1,0,0,1,0|1,0,1]=4 58 B11R1.226 COC(=O)C1C[C@@H](O)[C@H](Br)C1 BBS-00021810 [0,2,0,0,0,0|1,0,0]=3 59 B11R1.866 COC(=O)C1C[Si](C)(C)CN1 BBS-00030052 [0,2,0,0,0,0|1,1,0]=4 60 B11R1.175 O=C(O)[C@H]1CC[C@@H](C(=O)O)C1 BBS-00032735 [0,2,0,0,0,0|1,0,0]=3 61 B9R1.6 O=C(O)C1CCCCC1 BBS-00003723 [0,0,1,1,0,0|2,0,0]=4 62 B9R1.33 O=C1OCCN1CCO BBS-00027483 [0,0,1,1,0,0|2,0,0]=4 63 B9R2.61 OCC12CC(CN1)C2 BBS-00031747 [1,0,0,1,0,0|1,0,1]=4 64 B9R2.145 O=C(O)C12CC(C1)C2 BBS-00030008 [0,0,0,1,1,0|1,0,0]=3 65 B11R2.1839 O=C(O)C12CCC(CC1)C2 BBS-00024532 [0,0,0,1,0,1|2,0,0]=4 66 B11R2.1839 O=C(O)C12CCC(CC1)N2 BBS-00024583 [0,0,0,1,0,1|2,0,0]=4 67 B11R2.845 O=C(O)C1NC2CCC1C2 BBS-00029941 [0,0,0,1,0,1|2,0,0]=4 68 B11R2.914 COC(=O)C1CC2OC2C1 BBS-00021809 [0,1,0,1,0,0|1,0,0]=3 69 B7R0.16 CC(C)C(N)C(=O)O BBS-00028075 [0,0,1,0,1,0|1,0,0]=3 70 B7R0.16 CC(C)[C@H](N)C(=O)O BBS-00027540 [0,0,1,0,1,0|1,0,0]=3 71 B7R0.16 CC(O)C(N)C(=O)O BBS-00021069 [0,0,1,0,1,0|0,0,0]=2 72 B7R0.16 CC(O)C(O)C(=O)O BBS-00027358 [0,0,1,0,1,0|1,0,0]=3 73 B7R1.10 CC1CC(CO)C1 BBS-00025280 [1,0,0,0,1,0|1,0,1]=4 74 B7R1.18 NC(=O)C1CCC1 BBS-00025117 [1,0,0,0,1,0|1,0,0]=3 75 B7R1.18 NC(=S)C1CCC1 BBS-00025087 [1,0,0,0,1,0|1,1,0]=4 76 B7R1.18 O=C(O)C1CNC1 BBS-00022024 [1,0,0,0,1,0|1,0,0]=3 77 B9R1.13 O=C(O)CC1CCCC1 BBS-00028479 [1,0,0,0,0,1|1,0,0]=3 78 B9R1.13 O=C(O)CC1CCCO1 BBS-00023393 [1,0,0,0,0,1|1,0,0]=3 79 B9R1.13 O=C(O)CN1CCCC1 BBS-00000323 [1,0,0,0,0,1|2,0,0]=4