0 B10R1.66 O=C(O)CSC1=CC=CS1 AT21321 [0,0,0,0,0,0|3,1,0]=4 1 B9R1.12 CNCCC1=CC=CS1 AT16732 [1,0,0,0,0,0|2,1,0]=4 2 B9R1.12 O=CCCN1C=CC=N1 H11819 [1,0,0,0,0,0|3,0,0]=4 3 B11R1.25 COC(=O)CCC1=CC=CS1 C91137 [0,1,0,0,0,0|1,1,0]=3 4 B11R1.25 NCC(=O)NCC1=CC=CO1 F21191 [0,1,0,0,0,0|1,0,0]=2 5 B11R1.25 NNC(=S)NCC1=CC=CO1 AT23477 [0,1,0,0,0,0|2,1,0]=4 6 B11R1.35 C[C@@H](CC1=CC=CO1)C(=O)O W18641 [0,1,0,0,0,0|2,0,0]=3 7 B11R1.35 N[C@@H](CC1=CC=CO1)C(=O)O A50248 [0,1,0,0,0,0|2,0,0]=3 8 B11R1.75 CC(=O)OCC1=CC(C)=NO1 F13005 [0,1,0,0,0,0|1,1,0]=3 9 B11R1.75 O=C(O)\C=C\C1=CC=C(Br)O1 F12977 [0,1,0,0,0,0|2,0,1]=4 10 B11R1.77 CC(=O)OC(C)=C1C=CC=C1 W17975 [0,1,0,0,0,0|1,1,1]=4 11 B11R1.77 N[C@@H](CC(=O)O)C1=CC=CO1 D76619 [0,1,0,0,0,0|2,0,0]=3 12 B11R1.77 N[C@@H](CC(=O)O)C1=CC=CO1 N12538 [0,1,0,0,0,0|2,0,0]=3 13 B11R1.77 N[C@@H](CC(=O)O)C1=CC=CO1 N12564 [0,1,0,0,0,0|2,0,0]=3 14 B11R1.77 O=[N+]([O-])C[C@H](O)C1=CC=CO1 AC6290 [0,1,0,0,0,0|3,0,0]=4 15 B9R1.13 CC(=O)CC1=CSC=C1 66590 [0,0,0,0,1,0|2,0,0]=3 16 B9R1.13 CC(=O)CN1C=CC=N1 AT23998 [0,0,0,0,1,0|2,0,0]=3 17 B9R1.13 CC(=O)CN1C=NC=N1 F50411 [0,0,0,0,1,0|3,0,0]=4 18 B9R1.13 CC(=O)CN1N=CC=N1 AT15940 [0,0,0,0,1,0|3,0,0]=4 19 B9R1.13 C[C@H](O)CC1=CC=CO1 W11911 [0,0,0,0,1,0|0,0,2]=3 20 B9R1.13 NC(=O)CC1=CC=CN1 72456 [0,0,0,0,1,0|2,0,0]=3 21 B9R1.13 O=C(O)CC1=CC=NN1 79593 [0,0,0,0,1,0|3,0,0]=4 22 B9R1.13 O=C(O)CC1=CSC=N1 AC3265 [0,0,0,0,1,0|3,0,0]=4 23 B11R1.91 CC(=O)CCC1=CC=NC=C1 AT24518 [0,0,0,0,0,1|2,0,0]=3 24 B11R1.91 CC(=O)COC1=NC=CC=C1 AC9007 [0,0,0,0,0,1|3,0,0]=4 25 B11R1.91 NC(=O)CCC1=NC=CC=C1 AC6900 [0,0,0,0,0,1|3,0,0]=4 26 B11R1.91 NC(=O)CCC1=NC=NC=C1 F13616 [0,0,0,0,0,1|3,0,0]=4 27 B11R1.91 O=C(O)CCC1=NC=CN=C1 N12623 [0,0,0,0,0,1|3,0,0]=4 28 B11R1.172 O=C(O)CNCC1=CC=CO1 W15238 [0,0,0,0,0,1|2,0,0]=3 29 B8R1.8 O=CCC1=CC=CS1 O10539 [2,0,0,0,0,0|0,1,0]=3 30 B8R1.8 O=CCC1=NC=CS1 D88143 [2,0,0,0,0,0|1,1,0]=4 31 B8R1.8 O=CCC1=NN=CO1 W10330 [2,0,0,0,0,0|2,0,0]=4 32 B10R1.11 C=CC[C@H](N)C1=CC=CO1 N16704 [1,1,0,0,0,0|1,0,1]=4 33 B10R1.11 C=CC[C@H](N)C1=CC=CO1 N16705 [1,1,0,0,0,0|1,0,1]=4 34 B10R1.11 CCC[C@H](N)C1=CC=CO1 N16695 [1,1,0,0,0,0|1,0,1]=4 35 B10R1.11 CCC[C@H](N)C1=CC=CO1 N16696 [1,1,0,0,0,0|1,0,1]=4 36 B10R1.11 CCC[C@H](N)C1=CC=CO1 N16697 [1,1,0,0,0,0|1,0,1]=4 37 B10R1.21 OCCNCC1=CC=CO1 F16080 [1,1,0,0,0,0|1,0,1]=4 38 B10R1.23 CC(=O)C(=O)C1=CC=CS1 H11148 [0,1,0,0,1,0|0,1,1]=4 39 B10R1.23 CC(C)[C@H](N)C1=CC=CO1 N16714 [0,1,0,0,1,0|1,0,1]=4 40 B10R1.23 CC(O)C(N)C1=CC=CO1 N16789 [0,1,0,0,1,0|0,0,2]=4 41 B10R1.23 C[C@@H](C(=O)O)C1=CC=CO1 AT17464 [0,1,0,0,1,0|1,0,0]=3 42 B10R1.23 C[C@@H](C(=O)O)C1=CC=CS1 AT16728 [0,1,0,0,1,0|1,1,0]=4 43 B10R1.23 C[C@@H](O)[C@H](N)C1=CC=CO1 N16786 [0,1,0,0,1,0|0,0,2]=4 44 B10R1.23 C[C@@H](O)[C@H](N)C1=CC=CO1 N16788 [0,1,0,0,1,0|0,0,2]=4 45 B10R1.23 C[C@H](O)[C@H](N)C1=CC=CO1 N16785 [0,1,0,0,1,0|0,0,2]=4 46 B10R1.23 C[C@H](O)[C@H](N)C1=CC=CO1 N16787 [0,1,0,0,1,0|0,0,2]=4 47 B10R1.23 N[C@@H](C(=O)O)C1=CC=CS1 38266 [0,1,0,0,1,0|1,1,0]=4 48 B10R1.54 CC(=O)NC1=CC=C(Br)S1 27544 [0,1,0,0,1,0|1,1,0]=4 49 B10R1.54 O=C(Cl)CC1=CC=C(Br)S1 AC8730 [0,1,0,0,1,0|1,1,0]=4 50 B12R1.21 CC(=O)NCC1=CN=C(Cl)C=C1 F12000 [0,1,0,0,0,1|2,0,0]=4 51 B12R1.21 CC(=O)NCC1=CN=C(Cl)C=N1 D79921 [0,1,0,0,0,1|2,0,0]=4 52 B12R1.27 COC(=O)CCC1=NC=CN=C1 C15360 [0,1,0,0,0,1|2,0,0]=4 53 B12R1.27 COC(=O)CCC1=NC=NC=C1 F14178 [0,1,0,0,0,1|2,0,0]=4 54 B12R1.125 CC(=O)SCC1=C(Cl)C=CC=C1 W11173 [0,1,0,0,0,1|1,0,0]=3 55 B12R1.890 CS(=O)(=O)OCCC1=CC=CO1 W10645 [0,1,0,0,0,1|1,1,0]=4 56 B12R1.15 COC(=O)C[C@H](N)C1=CC=CO1 N16707 [0,2,0,0,0,0|1,0,0]=3 57 B12R1.15 COC(=O)C[C@H](N)C1=CC=CO1 N16708 [0,2,0,0,0,0|1,0,0]=3 58 B12R1.15 COC(=O)C[C@H](N)C1=CC=CO1 N16709 [0,2,0,0,0,0|1,0,0]=3 59 B12R1.26 COC(=O)CCC1=CC(Br)=NO1 AT24355 [0,2,0,0,0,0|2,0,0]=4 60 B12R1.51 CCOC(=O)CCC1=CC=CN1 D87708 [0,2,0,0,0,0|2,0,0]=4 61 B12R1.51 NCCC(=O)NCC1=CC=CO1 F21048 [0,2,0,0,0,0|1,0,0]=3 62 B12R1.108 COC(=O)[C@@H](N)CC1=CC=CS1 N12870 [0,2,0,0,0,0|1,1,0]=4 63 B12R1.103 CC1=CC=C([C@@H](N)CC(=O)O)O1 N12287 [0,2,0,0,0,0|2,0,0]=4 64 B12R1.103 CC1=CC=C([C@@H](N)CC(=O)O)O1 N16774 [0,2,0,0,0,0|2,0,0]=4 65 B12R1.103 CC1=CC=C([C@@H](N)CC(=O)O)O1 N16776 [0,2,0,0,0,0|2,0,0]=4 66 B12R1.103 N[C@@H](CC(=O)O)C1=CC=C(Br)O1 N12416 [0,2,0,0,0,0|2,0,0]=4 67 B12R1.103 N[C@@H](CC(=O)O)C1=CC=C(Br)O1 N14881 [0,2,0,0,0,0|2,0,0]=4 68 B12R1.103 N[C@@H](CC(=O)O)C1=CC=C(Br)O1 N14882 [0,2,0,0,0,0|2,0,0]=4 69 B10R2.32 O=C1NCC2=CC=CN12 F52206 [1,0,0,1,0,0|2,0,0]=4 70 B12R2.22 O=C1CC(C2=CN=CC=C2)C1 F53801 [0,0,0,1,0,1|2,0,0]=4 71 B12R2.22 O=C1C[C@@H](C2=CC=CC=C2)N1 76187 [0,0,0,1,0,1|2,0,0]=4 72 B12R2.24 O=C1CC2=C(C=NC=C2)CN1 86461 [0,0,0,1,0,1|2,0,0]=4 73 B8R1.7 CC(=O)C1=CN=CO1 F19037 [0,0,0,0,2,0|1,0,0]=3 74 B8R1.7 CC(=O)C1=COC=N1 AT18593 [0,0,0,0,2,0|2,0,0]=4 75 B8R1.7 C[C@H](N)C1=CC=CO1 74860 [0,0,0,0,2,0|1,0,1]=4 76 B8R1.7 C[C@H](N)C1=CC=CO1 F16901 [0,0,0,0,2,0|1,0,1]=4 77 B8R1.7 C[C@H](N)C1=CC=CO1 N12744 [0,0,0,0,2,0|1,0,1]=4 78 B8R1.7 NC(=S)C1=CC=CO1 F11945 [0,0,0,0,2,0|1,1,0]=4 79 B8R1.7 O=C([O-])C1=NC=CO1 AT18513 [0,0,0,0,2,0|2,0,0]=4 80 B10R1.17 O=CCCC1=NC=CC=C1 P20552 [1,0,0,0,0,1|2,0,0]=4 81 B10R1.17 O=CNCC1=NC=CC=C1 AC6369 [1,0,0,0,0,1|2,0,0]=4 82 B12R1.252 CC(=O)CCCC1=CN=CC=C1 F53170 [0,0,0,0,0,2|2,0,0]=4