0 B9R1.35 CN1CC(CC1)C(=O)O ACS023903 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.35 F[C@@H]1C[C@@H](NC1)C(=O)O ACF021395 [0,0,0,0,0,0|3,0,1]=4 2 B9R1.35 F[C@@H]1C[C@@H](NC1)C(=O)O ACF021396 [0,0,0,0,0,0|3,0,1]=4 3 B9R1.35 F[C@@H]1C[C@H](NC1)C(=O)O ACF021354 [0,0,0,0,0,0|3,0,1]=4 4 B9R1.35 F[C@@H]1C[C@H](NC1)C(=O)O ACF021355 [0,0,0,0,0,0|3,0,1]=4 5 B9R1.35 F[C@H]1C[C@@H](NC1)C(=O)O ACF021356 [0,0,0,0,0,0|3,0,1]=4 6 B9R1.35 F[C@H]1C[C@@H](NC1)C(=O)O ACF021357 [0,0,0,0,0,0|3,0,1]=4 7 B9R1.35 F[C@H]1C[C@@H](NC1)C(=O)O ACF021453 [0,0,0,0,0,0|3,0,1]=4 8 B9R1.35 F[C@H]1C[C@@H](NC1)C(=O)O ACF021454 [0,0,0,0,0,0|3,0,1]=4 9 B9R1.35 F[C@H]1C[C@H](NC1)C(=O)O ACF021462 [0,0,0,0,0,0|3,0,1]=4 10 B9R1.35 F[C@H]1C[C@H](NC1)C(=O)O ACF021463 [0,0,0,0,0,0|3,0,1]=4 11 B9R1.35 N1[C@H](CCC1=O)C(=O)O ACS011109 [0,0,0,0,0,0|0,0,0]=0 12 B8R1.7 C1C(NCS1)C(=O)O ACS011131 [1,0,0,0,0,0|1,0,1]=3 13 B8R1.7 N1C(=NC=C1)C(=O)O ACS024127 [1,0,0,0,0,0|1,0,2]=4 14 B8R1.7 N1C(CCC1)C(=O)O ACS015390 [1,0,0,0,0,0|0,0,1]=2 15 B8R1.7 N1CC(CC1)C(=O)O ACS011337 [1,0,0,0,0,0|2,0,0]=3 16 B8R1.7 N1CC(CC1)C(=O)O ACS024190 [1,0,0,0,0,0|2,0,0]=3 17 B8R1.7 O1C(CCC1)C(=O)O ACS011004 [1,0,0,0,0,0|1,0,1]=3 18 B10R1.14 CN1CC(CC1)C(=O)OC ACS023901 [0,1,0,0,0,0|3,0,0]=4 19 B10R1.14 N1[C@@H](CCC1=O)C(=O)OC ACS011395 [0,1,0,0,0,0|0,0,0]=1 20 B10R1.194 CN1C(CCC1=O)C(=O)O ACS020548 [0,1,0,0,0,0|0,0,0]=1 21 B10R1.359 FC1(CC(CC1)C(=O)O)F ACF022937 [0,1,0,0,0,0|2,0,1]=4 22 B10R1.359 FC1(C[C@@H](CC1)C(=O)O)F ACF023048 [0,1,0,0,0,0|2,0,1]=4 23 B10R1.359 FC1(C[C@H](CC1)C(=O)O)F ACF023049 [0,1,0,0,0,0|2,0,1]=4 24 B8R0.23 C([C@H](C(=O)O)O)C(=O)O ACS011087 [0,0,1,0,0,0|3,0,0]=4 25 B8R0.28 C(CCCC(=O)O)(=O)O ACS011916 [0,0,1,0,0,0|1,0,0]=2 26 B8R1.23 FC1CC(C1)C(=O)O ACF021052 [0,0,0,0,1,0|2,0,1]=4 27 B8R1.23 O=C1CC(C1)C(=O)O ACS011617 [0,0,0,0,1,0|1,0,0]=2 28 B10R1.13 C(C)(=O)N1CCC(CC1)=O ACS023984 [0,0,0,0,0,1|3,0,0]=4 29 B10R1.13 F[C@@H]1CC[C@H](CC1)C(=O)O ACF023644 [0,0,0,0,0,1|2,0,1]=4 30 B10R1.13 F[C@H]1CC[C@H](CC1)C(=O)O ACF023645 [0,0,0,0,0,1|2,0,1]=4 31 B10R1.113 C[C@H]1C[C@@H](NCC1)C(=O)O ACS023712 [0,0,0,0,0,1|2,0,1]=4 32 B10R1.113 O=C1N=CC=C(N1)C(=O)O ACS020336 [0,0,0,0,0,1|0,0,3]=4 33 B7R0.3 COC(CCC=O)=O ACS024542 [1,0,1,0,0,0|2,0,0]=4 34 B7R0.4 BrCCCCC(=O)O ACS015645 [1,0,1,0,0,0|1,0,1]=4 35 B7R0.5 C(C#C)[C@@H](N)C(=O)O ACS012163 [1,0,1,0,0,0|0,0,2]=4 36 B7R1.1 C1(CCCC1)C=O ACS012176 [2,0,0,0,0,0|1,0,1]=4 37 B7R1.1 C1C[C@@H](NC1)CO ACS010976 [2,0,0,0,0,0|0,0,2]=4 38 B7R1.2 FC1CC(CC1)=O ACF022433 [2,0,0,0,0,0|2,0,0]=4 39 B7R1.2 N1C(CCC1=O)=O ACS015391 [2,0,0,0,0,0|0,0,1]=3 40 B9R0.7 C(CC(=O)O)C(=O)C(=O)O ACS024401 [0,1,1,0,0,0|1,0,1]=4 41 B9R0.7 NC(CCC(=O)O)B(O)O ACS019386 [0,1,1,0,0,0|1,0,1]=4 42 B9R0.47 N[C@@H](CCCCN)C(=O)O ACS011091 [0,1,1,0,0,0|1,0,1]=4 43 B9R0.79 C[C@H]([C@H](C(=O)O)N)C(=O)O ACS011305 [0,1,1,0,0,0|2,0,0]=4 44 B9R1.11 N1C[C@@H](CC1)C(=O)OC ACF021042 [1,1,0,0,0,0|2,0,0]=4 45 B9R1.11 N1C[C@H](CC1)C(=O)OC ACF021041 [1,1,0,0,0,0|2,0,0]=4 46 B9R1.41 C1CN[C@@H](C1O)C(=O)O ACS011402 [1,1,0,0,0,0|0,0,1]=3 47 B9R1.41 O[C@@H]1[C@@H](NCC1)C(=O)O ACF021298 [1,1,0,0,0,0|0,0,1]=3 48 B9R1.41 O[C@@H]1[C@@H](NCC1)C(=O)O ACF021299 [1,1,0,0,0,0|0,0,1]=3 49 B9R1.163 C[C@@]1(NCCC1)C(=O)O ACS012206 [1,1,0,0,0,0|0,0,1]=3 50 B9R1.163 FC1(CCCC1)C(=O)O ACF020777 [1,1,0,0,0,0|1,0,1]=4 51 B9R1.163 FC1(CNCC1)C(=O)O ACF022868 [1,1,0,0,0,0|2,0,0]=4 52 B9R1.163 NC1(COCC1)C(=O)O ACS011672 [1,1,0,0,0,0|2,0,0]=4 53 B9R1.82 O=C1CC(C1)C(=O)OC ACS015594 [0,1,0,0,1,0|1,0,0]=3 54 B9R1.81 N[C@@H]1[C@@H](CC1)C(=O)OC ACF021328 [0,1,0,0,1,0|1,0,1]=4 55 B9R1.166 FC1(C(CC1)C(=O)O)F ACF021327 [0,1,0,0,1,0|1,0,1]=4 56 B9R1.6 C1(CC=CCC1)C(=O)O ACS011409 [0,0,1,1,0,0|2,0,0]=4 57 B9R1.6 C1C[C@@H](CC=C1)C(=O)O ACS012109 [0,0,1,1,0,0|2,0,0]=4 58 B9R1.6 N1[C@@H](CCCC1)C(=O)O ACS010815 [0,0,1,1,0,0|1,0,1]=4 59 B9R1.69 C1CC(=O)NC(=O)C1N ACS023922 [0,0,1,1,0,0|1,0,0]=3 60 B7R1.12 FC1C(C1)C(=O)O ACF021646 [0,0,0,0,2,0|1,0,1]=4 61 B7R1.12 F[C@H]1[C@@H](C1)C(=O)O ACF021647 [0,0,0,0,2,0|1,0,1]=4 62 B7R1.12 F[C@H]1[C@@H](C1)C(=O)O ACF021648 [0,0,0,0,2,0|1,0,1]=4 63 B7R1.12 F[C@H]1[C@H](C1)C(=O)O ACF012314 [0,0,0,0,2,0|1,0,1]=4 64 B9R0.55 C(CCCCC(=O)Cl)(=O)Cl ACS013368 [0,0,1,0,0,1|2,0,0]=4