0 B6R0.2 C[C@H](O)CN(C)C AT22519 [1,0,0,0,0,0|1,0,2]=4 1 B6R0.2 O=C(O)CC(F)F P18472 [1,0,0,0,0,0|3,0,0]=4 2 B6R0.5 CSCC(C)(C)N D76732 [1,0,0,0,0,0|2,0,0]=3 3 B8R0.27 CC(C)(F)[C@H](N)C(=O)O D79269 [0,1,0,0,0,0|2,0,0]=3 4 B8R0.34 CC(C)(CN)CC(=O)O C11423 [0,1,0,0,0,0|2,0,0]=3 5 B8R1.51 CC1(C)CC(Cl)=NO1 AC8145 [0,0,0,1,0,0|2,1,0]=4 6 B8R1.51 CC1(C)C[C@H](O)CN1 P16596 [0,0,0,1,0,0|1,0,2]=4 7 B8R1.73 CC1(N)CS(=O)(=O)C1 P15013 [0,0,0,1,0,0|3,0,0]=4 8 B8R1.77 CC1(C)C[C@@H]1C(N)=O P18982 [0,0,0,1,0,0|2,0,0]=3 9 B8R0.29 CS(C)(=O)=NCC(=O)O C77465 [0,0,0,0,0,1|2,1,0]=4 10 B5R0.1 C=CC[C@H](C)N D84793 [2,0,0,0,0,0|1,0,1]=4 11 B5R0.1 CN(C)NC=O 20013 [2,0,0,0,0,0|2,0,0]=4 12 B5R0.4 CC(C)(F)CI AC1604 [2,0,0,0,0,0|2,0,0]=4 13 B5R0.4 CC(C)(F)CN 85780 [2,0,0,0,0,0|2,0,0]=4 14 B7R0.11 CCC(C)(C)CC=O Y14611 [1,1,0,0,0,0|1,0,0]=3 15 B7R0.11 CCC[C@](C)(N)CO D75112 [1,1,0,0,0,0|1,0,1]=4 16 B7R0.13 C[C@](N)(CO)C(=O)O F15126 [0,1,0,0,1,0|2,0,0]=4 17 B9R0.57 CC(C)(F)C[C@H](N)C(=O)O 81510 [0,1,0,0,0,1|2,0,0]=4 18 B7R1.2 C[C@@H]1COC(=O)C1 64712 [1,0,0,1,0,0|1,0,0]=3 19 B7R1.2 C[C@@H]1COC(=O)C1 69011 [1,0,0,1,0,0|1,0,0]=3 20 B7R1.2 N[C@@H]1CCC(=O)N1 D72820 [1,0,0,1,0,0|2,0,0]=4 21 B7R1.2 N[C@@H]1CNC(=O)C1 P12719 [1,0,0,1,0,0|2,0,0]=4 22 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O 55219 [1,0,0,1,0,0|1,0,0]=3 23 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O P17920 [1,0,0,1,0,0|1,0,0]=3 24 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I CS3132 [1,0,0,1,0,0|2,0,0]=4 25 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I D79124 [1,0,0,1,0,0|2,0,0]=4 26 B7R1.12 O=C(O)[C@H]1C[C@@H]1F P14126 [1,0,0,1,0,0|2,0,0]=4 27 B7R1.14 C[C@]1(F)CCNC1 P19721 [1,0,0,1,0,0|2,0,0]=4 28 B7R1.14 C[C@]1(F)CCNC1 P19900 [1,0,0,1,0,0|2,0,0]=4 29 B7R1.14 C[C@]1(O)CCNC1 95716 [1,0,0,1,0,0|1,1,0]=4 30 B7R1.14 C[C@]1(O)CCNC1 P15825 [1,0,0,1,0,0|1,1,0]=4 31 B7R1.14 C[C@]1(O)CCNC1 P15831 [1,0,0,1,0,0|1,1,0]=4 32 B9R1.164 C[C@]1(O)C[C@H](C(=O)O)C1 38906 [0,0,0,1,0,1|1,1,0]=4 33 B9R1.164 C[C@]1(O)C[C@H](C(=O)[O-])C1 P18532 [0,0,0,1,0,1|1,1,0]=4 34 B9R1.111 CC1([C@H](N)C(=O)O)CC1 P14104 [0,1,0,1,0,0|2,0,0]=4 35 B9R1.111 N[C@H](C(=O)O)C1(O)CC1 AT19391 [0,1,0,1,0,0|1,1,0]=4 36 B9R1.166 CC1(C)CC[C@@H]1C(=O)O W15641 [0,1,0,1,0,0|2,0,0]=4 37 B9R1.166 CC1(C)CN[C@@H]1C(=O)O D79163 [0,1,0,1,0,0|2,0,0]=4 38 B9R2.139 O=C1CC2(CC2)CN1 87107 [0,0,0,2,0,0|2,0,0]=4 39 B9R2.139 O=C1CCC2(CC2)C1 P20949 [0,0,0,2,0,0|1,0,0]=3