0 B13R1.42 [C-]#[N+]CC(=O)OCC1=CC=CC=C1 AC8601 [0,0,0,0,0,0|1,0,1]=2 1 B12R1.27 C[C@@H](CN)OCC1=CC=CC=C1 AT22581 [1,0,0,0,0,0|2,0,1]=4 2 B12R1.27 C[C@@H](CO)OCC1=CC=CC=C1 F31051 [1,0,0,0,0,0|2,0,1]=4 3 B14R1.156 O=CCNC(=O)OCC1=CC=CC=C1 AT22787 [0,1,0,0,0,0|1,0,1]=3 4 B14R1.756 N#C[C@@H](N)C(=O)OCC1=CC=CC=C1 AC7057 [0,1,0,0,0,0|1,0,1]=3 5 B14R1.979 OCC[C@@H](CO)OCC1=CC=CC=C1 AT26572 [0,1,0,0,0,0|1,0,2]=4 6 B14R2.21 C[C@@H]1CNC[C@@H](C2=CC=CC=C2)O1 F19006 [0,0,0,1,0,0|2,0,1]=4 7 B14R2.21 C[C@H]1CNC[C@@H](C2=CC=CC=C2)O1 F19005 [0,0,0,1,0,0|2,0,1]=4 8 B14R2.21 O=C1CCC[C@H](C2=CC=CC=C2)C1 T72643 [0,0,0,1,0,0|1,0,0]=2 9 B14R2.21 O=C1CCC[C@H](C2=CC=NC=C2)C1 79704 [0,0,0,1,0,0|2,0,0]=3 10 B14R2.21 O=C1CCC[C@H](C2=CN=CC=C2)C1 79669 [0,0,0,1,0,0|2,0,0]=3 11 B14R2.21 O[C@H]1CCC[C@@H](C2=CC=CC=C2)C1 D75512 [0,0,0,1,0,0|1,0,2]=4 12 B14R2.598 CC1NC(=O)CC1C2=CC=CC=C2 D76767 [0,0,0,1,0,0|2,0,0]=3 13 B12R1.32 NCC[C@H](F)CC1=CC=CC=C1 D76607 [0,0,0,0,1,0|2,0,1]=4 14 B14R1.520 CCOC(=O)\C=C/CC1=CC=CC=C1 61580 [0,0,0,0,0,1|2,0,0]=3 15 B13R1.351 O=C(O)C(=O)OCC1=CC=CC=C1 D76053 [1,1,0,0,0,0|1,0,1]=4 16 B13R1.19 CCOC(=O)NC1=CC=C(Br)C=C1 D86004 [0,1,0,0,1,0|2,0,0]=4 17 B13R1.20 CCOC(=O)CC1=CC(F)=NC=C1 AT23308 [0,1,0,0,1,0|2,0,0]=4 18 B13R1.47 CCOC(=O)[C@H](Br)C1=CC=NC=C1 93364 [0,1,0,0,1,0|2,0,0]=4 19 B13R1.470 CCOC(=O)CC1=C(Br)C=CN=C1 AT23275 [0,1,0,0,1,0|2,0,0]=4 20 B13R1.470 CCOC(=O)CC1=C(Cl)C=CN=C1 AT23276 [0,1,0,0,1,0|2,0,0]=4 21 B15R1.24 CCOC(=O)C[C@H](N)C1=CC=CC(Br)=C1 E72663 [0,2,0,0,0,0|2,0,0]=4 22 B15R1.3722 CCOC(=O)C[C@H](O)C1=C(Br)C=CC=C1 AT23929 [0,2,0,0,0,0|2,0,0]=4 23 B15R1.48 CCOC(=O)[C@@H](N)CC1=CC=C(F)C=C1 C73913 [0,2,0,0,0,0|2,0,0]=4 24 B15R1.791 CCOC(=O)CCC1=C(C)C=C(O)C=C1 C11677 [0,2,0,0,0,0|2,0,0]=4 25 B15R1.3678 CC(C)[C@H](N)C(=O)OCC1=CC=CC=C1 D75504 [0,2,0,0,0,0|0,0,0]=2 26 B13R2.15 CC1CCNC1C2=CC=CC=C2 E73234 [1,0,0,1,0,0|1,0,1]=4 27 B13R2.5252 C[C@H]1CNCCC2=C1C=CC=C2 AT24795 [1,0,0,1,0,0|2,0,0]=4 28 B13R2.10 O=C1CC[C@@H](C2=CC=NC=C2)N1 AT26736 [1,0,0,1,0,0|2,0,0]=4 29 B13R2.10 O=C1CC[C@H](C2=CC=CC=C2)C1 94454 [1,0,0,1,0,0|1,0,0]=3 30 B15R2.1342 CCOC(=O)[C@H]1C[C@@H]1C2=CC=CC=C2 AT11578 [0,0,0,1,0,1|2,0,0]=4 31 B15R2.30 O=C1CCO[C@H](C2=CC=CC(Br)=C2)C1 C91904 [0,1,0,1,0,0|2,0,0]=4 32 B15R2.30 O=C1COC[C@@H](C2=CC=CC(F)=C2)N1 D76412 [0,1,0,1,0,0|2,0,0]=4 33 B15R2.30 O=C1C[C@@H](C2=CC=CC(F)=C2)CCN1 AC9816 [0,1,0,1,0,0|2,0,0]=4 34 B15R2.335 O=C1CCN[C@H]1CC2=CC=CC(Br)=C2 AC8163 [0,1,0,1,0,0|2,0,0]=4 35 B15R2.24490 C[C@H](OCC1=CC=CC=C1)C2COC2 D97146 [0,1,0,1,0,0|1,0,1]=4 36 B15R2.28 CC1=CC=C([C@@H]2COCC(=O)N2)C=C1 D76414 [0,1,0,1,0,0|2,0,0]=4 37 B15R2.28 O=C1COC[C@@H](C2=CC=C(F)C=C2)N1 D76413 [0,1,0,1,0,0|2,0,0]=4 38 B15R2.28 O=C1C[C@@H](C2=CC=C(F)C=C2)CCN1 AC9517 [0,1,0,1,0,0|2,0,0]=4 39 B15R2.4083 O=C1CCN(CC2=CC=CC=C2)C1=O F53487 [0,1,0,1,0,0|1,0,1]=4 40 B15R2.4083 O=C1[C@@H](O)CCN1CC2=CC=CC=C2 AT23557 [0,1,0,1,0,0|1,0,0]=3 41 B15R2.7966 CC1(O)CC(OCC2=CC=CC=C2)C1 AT22535 [0,1,0,1,0,0|1,0,1]=4 42 B15R3.2013 O=C1C[C@@H]2CCN1C3=C2C=CC=C3 F52212 [0,0,0,2,0,0|2,0,0]=4 43 B11R1.40 CNC(=O)NC1=CC=CC=C1 D77088 [1,0,0,0,1,0|2,0,0]=4 44 B11R1.40 COC(=N)CC1=CC=CC=C1 C10559 [1,0,0,0,1,0|2,0,0]=4 45 B11R1.16 NCCC(=O)C1=CC=CC=C1 AC9010 [0,0,0,0,2,0|1,0,0]=3 46 B11R1.16 NCCC(=O)C1=CC=CC=C1 D76552 [0,0,0,0,2,0|1,0,0]=3