0 B14R1.520 CCOC(=O)CCCC1=NC=CC=N1 D76460 [0,1,0,0,0,0|3,0,0]=4 1 B14R1.520 CCOC(=O)\C=C/CC1=CC=CC=C1 61580 [0,1,0,0,0,0|1,0,1]=3 2 B14R2.8 NC[C@@H]1C[C@H](C2=CC=CC=C2)CO1 E72960 [0,0,0,1,0,0|2,0,1]=4 3 B14R2.19 NC1CCC(CC2=CC=CC=C2)C1 33454 [0,0,0,1,0,0|2,0,1]=4 4 B14R2.68 O=C1CN[C@H](C2=CC=CC=C2)CO1 AT19643 [0,0,0,1,0,0|1,0,0]=2 5 B14R2.68 O=C1NN=C(C2=CC=CC=C2)CO1 D76100 [0,0,0,1,0,0|2,0,1]=4 6 B14R2.958 COC(=O)[C@H]1C[C@@H]1C2=CN=CC=C2 F50025 [0,0,0,1,0,0|3,0,0]=4 7 B14R2.958 COC(=O)[C@H]1C[C@@H]1C2=CN=CC=C2 F50055 [0,0,0,1,0,0|3,0,0]=4 8 B14R2.3459 C[C@@]1(CN)OCCC2=C1C=CC=C2 E73156 [0,0,0,1,0,0|2,0,1]=4 9 B12R1.27 C[C@@H](CN)OCC1=CC=CC=C1 AT22581 [0,0,0,0,1,0|2,0,1]=4 10 B12R1.27 C[C@@H](CO)OCC1=CC=CC=C1 F31051 [0,0,0,0,1,0|2,0,1]=4 11 B12R1.27 NC[C@@H](F)CCC1=CC=CC=C1 D76606 [0,0,0,0,1,0|2,0,1]=4 12 B11R1.28 O=CCCCC1=CC=NC=C1 P16930 [2,0,0,0,0,0|2,0,0]=4 13 B15R1.1321 COC(=O)[C@@H](O)COCC1=CC=CC=C1 27872 [0,1,0,0,0,1|2,0,0]=4 14 B15R1.981 COC(=O)C[C@H](N)CC1=CC=C(Cl)C=C1 AC4818 [0,2,0,0,0,0|2,0,0]=4 15 B13R2.5252 C[C@H]1CNCCC2=C1C=CC=C2 AT24795 [1,0,0,1,0,0|1,0,1]=4 16 B13R2.10 O=C1CC[C@H](C2=CC=CC=C2)C1 94454 [1,0,0,1,0,0|1,0,0]=3 17 B13R2.31 O=C1C[C@H](SC2=CC=CC=C2)N1 P12916 [1,0,0,1,0,0|2,0,0]=4 18 B13R2.423 CC(=O)C1CC1C2=CC=CC=C2 AT10245 [1,0,0,1,0,0|1,0,0]=3 19 B15R2.29 O=C1CCC(CC2=CC=CC=C2)CC1 AC8802 [0,0,0,1,0,1|1,0,0]=3 20 B15R2.29 [2H]C1=CCN(CC2=CC=CC=C2)CC1 AC2771 [0,0,0,1,0,1|2,0,0]=4 21 B15R2.342 O=C1CC[C@@H]1COCC2=CC=CC=C2 P14254 [0,0,0,1,0,1|1,0,0]=3 22 B15R2.1559 COC(=O)[C@H]1C[C@@H]1C2=CC=C(Br)C=C2 AC9745 [0,1,0,1,0,0|2,0,0]=4 23 B15R2.1559 COC(=O)[C@H]1C[C@@H]1C2=CC=C(C)C=C2 AC8630 [0,1,0,1,0,0|2,0,0]=4 24 B15R2.1559 COC(=O)[C@H]1C[C@@H]1C2=CC=C(Cl)C=C2 AC9065 [0,1,0,1,0,0|2,0,0]=4 25 B15R2.50022 C[C@@H]1C(=O)NCCC2=C1C=C(Cl)C=C2 F51379 [0,1,0,1,0,0|1,0,0]=3 26 B15R2.66 CCOC1=N[C@H](C2=CC=CC=C2)CC1 AC9695 [0,1,0,1,0,0|2,0,0]=4 27 B15R2.1342 CCOC(=O)C1CC1C2=NC=CC=C2 C91570 [0,1,0,1,0,0|2,0,0]=4 28 B15R2.1342 CCOC(=O)[C@H]1C[C@@H]1C2=CC=CC=C2 AT11578 [0,1,0,1,0,0|1,0,0]=3 29 B15R2.1342 CCOC(=O)[C@H]1C[C@@H]1C2=CC=NC=C2 84942 [0,1,0,1,0,0|2,0,0]=4 30 B15R2.1342 CCOC(=O)[C@H]1C[C@@H]1C2=NC=CC=C2 91717 [0,1,0,1,0,0|2,0,0]=4 31 B15R2.1601 COC(=O)[C@@H]1CCC2=C(C=CC=C2)N1 69679 [0,1,0,1,0,0|2,0,0]=4 32 B15R2.15770 CN1CCC2=C(C=CC=C2)[C@H](N)C1=O D77209 [0,1,0,1,0,0|2,0,0]=4 33 B15R2.19402 COC(=O)[C@@]1(N)CCC2=C1C=CC=C2 93182 [0,1,0,1,0,0|2,0,0]=4 34 B15R2.28 CC1=CC=CC(C2CCC(=O)CC2)=C1 AC8772 [0,1,0,1,0,0|1,0,0]=3 35 B15R2.28 O=C1CCC(C2=CC(F)=CN=C2)CC1 C91033 [0,1,0,1,0,0|2,0,0]=4 36 B15R2.3809 COC(=O)C1CC1C2=CC(N)=CC=C2 AT21954 [0,1,0,1,0,0|2,0,0]=4 37 B11R1.40 CNC(=O)NC1=CC=CC=C1 D77088 [0,0,0,0,2,0|2,0,0]=4 38 B11R1.40 COC(=N)CC1=CC=CC=C1 C10559 [0,0,0,0,2,0|2,0,0]=4