0 B13R1.42 [C-]#[N+]CC(=O)OCC1=CC=CC=C1 AC8601 [0,0,0,0,0,0|3,0,1]=4 1 B12R1.27 NC[C@@H](F)CCC1=CC=CC=C1 D76606 [1,0,0,0,0,0|2,0,1]=4 2 B14R1.156 O=CCNC(=O)OCC1=CC=CC=C1 AT22787 [0,1,0,0,0,0|2,0,1]=4 3 B14R2.21 O=C1CCC[C@H](C2=CC=CC=C2)C1 T72643 [0,0,0,1,0,0|1,0,0]=2 4 B14R2.21 O=C1CCC[C@H](C2=CC=NC=C2)C1 79704 [0,0,0,1,0,0|2,0,0]=3 5 B14R2.21 O=C1CCC[C@H](C2=CN=CC=C2)C1 79669 [0,0,0,1,0,0|2,0,0]=3 6 B14R2.21 O[C@H]1CCC[C@@H](C2=CC=CC=C2)C1 D75512 [0,0,0,1,0,0|1,0,2]=4 7 B14R2.598 CC1NC(=O)CC1C2=CC=CC=C2 D76767 [0,0,0,1,0,0|1,0,0]=2 8 B14R1.520 CCOC(=O)CCCC1=NC=CC=N1 D76460 [0,0,0,0,0,1|2,0,0]=3 9 B14R1.520 CCOC(=O)\C=C/CC1=CC=CC=C1 61580 [0,0,0,0,0,1|0,0,1]=2 10 B11R1.91 O=C(O)CCC1=NN=CC=C1 P18641 [2,0,0,0,0,0|2,0,0]=4 11 B13R1.11 COC(=O)C[C@H](N)C1=CN=CN=C1 AT26000 [1,1,0,0,0,0|2,0,0]=4 12 B13R1.11 COC(=O)C[C@H](N)C1=CN=CN=C1 AT26001 [1,1,0,0,0,0|2,0,0]=4 13 B13R1.11 COC(=O)C[C@H](N)C1=CN=CN=C1 AT26002 [1,1,0,0,0,0|2,0,0]=4 14 B13R1.19 CCOC(=O)CC1=NC=C(N)N=C1 96606 [0,1,0,0,1,0|2,0,0]=4 15 B13R1.19 CCOC(=O)CC1=NC=C(O)C=N1 P14062 [0,1,0,0,1,0|2,0,0]=4 16 B13R1.19 CCOC(=O)NC1=CC=C(Br)C=C1 D86004 [0,1,0,0,1,0|1,0,0]=3 17 B13R1.20 CCOC(=O)CC1=CC(F)=NC=C1 AT23308 [0,1,0,0,1,0|1,0,0]=3 18 B13R1.20 CCOC(=O)CC1=NC=NC(C)=C1 P10095 [0,1,0,0,1,0|2,0,0]=4 19 B13R1.47 CCOC(=O)[C@H](Br)C1=CC=NC=C1 93364 [0,1,0,0,1,0|1,0,0]=3 20 B13R1.470 CCOC(=O)CC1=C(Br)C=CN=C1 AT23275 [0,1,0,0,1,0|1,0,0]=3 21 B13R1.470 CCOC(=O)CC1=C(Cl)C=CN=C1 AT23276 [0,1,0,0,1,0|1,0,0]=3 22 B15R1.23 CCOC(=O)CC(=O)C1=NC=C(Cl)C=C1 C14178 [0,2,0,0,0,0|1,0,1]=4 23 B15R1.24 CCOC(=O)C[C@H](N)C1=CC=CC(Br)=C1 E72663 [0,2,0,0,0,0|0,0,0]=2 24 B15R1.3722 CCOC(=O)C[C@H](O)C1=C(Br)C=CC=C1 AT23929 [0,2,0,0,0,0|0,0,0]=2 25 B15R1.48 CCOC(=O)[C@@H](N)CC1=CC=C(F)C=C1 C73913 [0,2,0,0,0,0|0,0,0]=2 26 B15R1.791 CCOC(=O)CCC1=C(C)C=C(O)C=C1 C11677 [0,2,0,0,0,0|0,0,0]=2 27 B15R1.793 CCOC(=O)\C=C/C1=CC=C(C=O)C=C1 D87539 [0,2,0,0,0,0|0,0,2]=4 28 B15R1.3678 CC(C)[C@H](N)C(=O)OCC1=CC=CC=C1 D75504 [0,2,0,0,0,0|2,0,0]=4 29 B13R2.5252 C[C@H]1CNCCC2=C1C=CC=C2 AT24795 [1,0,0,1,0,0|2,0,0]=4 30 B13R2.10 O=C1CC[C@@H](C2=CC=NC=C2)N1 AT26736 [1,0,0,1,0,0|2,0,0]=4 31 B13R2.10 O=C1CC[C@H](C2=CC=CC=C2)C1 94454 [1,0,0,1,0,0|0,0,0]=2 32 B15R2.66 CCOC1=N[C@H](C2=CC=CC=C2)CC1 AC9695 [0,0,0,1,0,1|1,0,0]=3 33 B15R2.1342 CCOC(=O)C1CC1C2=NC=CC=C2 C91570 [0,0,0,1,0,1|1,0,0]=3 34 B15R2.1342 CCOC(=O)[C@H]1C[C@@H]1C2=CC=CC=C2 AT11578 [0,0,0,1,0,1|0,0,0]=2 35 B15R2.1342 CCOC(=O)[C@H]1C[C@@H]1C2=CC=NC=C2 84942 [0,0,0,1,0,1|1,0,0]=3 36 B15R2.1342 CCOC(=O)[C@H]1C[C@@H]1C2=NC=CC=C2 91717 [0,0,0,1,0,1|1,0,0]=3 37 B15R2.7507 C[C@]1(COCC2=CC=CC=C2)CCO1 20481 [0,0,0,1,0,1|1,0,1]=4 38 B15R2.30 O=C1CCO[C@H](C2=CC=CC(Br)=C2)C1 C91904 [0,1,0,1,0,0|2,0,0]=4 39 B15R2.30 O=C1C[C@@H](C2=CC=CC(F)=C2)CCN1 AC9816 [0,1,0,1,0,0|1,0,0]=3 40 B15R2.335 O=C1CCN[C@H]1CC2=CC=CC(Br)=C2 AC8163 [0,1,0,1,0,0|2,0,0]=4 41 B15R2.28 O=C1C[C@@H](C2=CC=C(F)C=C2)CCN1 AC9517 [0,1,0,1,0,0|1,0,0]=3 42 B15R2.4083 O=C1CCN(CC2=CC=CC=C2)C1=O F53487 [0,1,0,1,0,0|2,0,0]=4 43 B15R2.4083 O=C1[C@@H](O)CCN1CC2=CC=CC=C2 AT23557 [0,1,0,1,0,0|2,0,0]=4 44 B15R3.2013 O=C1C[C@@H]2CCN1C3=C2C=CC=C3 F52212 [0,0,0,2,0,0|1,0,0]=3 45 B11R1.25 COC(=O)CCC1=NNC=C1 AT26456 [1,0,0,0,1,0|2,0,0]=4 46 B11R1.40 CNC(=O)NC1=CC=CC=C1 D77088 [1,0,0,0,1,0|2,0,0]=4 47 B11R1.40 COC(=N)CC1=CC=CC=C1 C10559 [1,0,0,0,1,0|1,0,0]=3 48 B11R1.40 COC(=O)CC1=NN=CC=C1 37155 [1,0,0,0,1,0|2,0,0]=4 49 B11R1.16 NCCC(=O)C1=CC=CC=C1 AC9010 [0,0,0,0,2,0|2,0,0]=4 50 B11R1.16 NCCC(=O)C1=CC=CC=C1 D76552 [0,0,0,0,2,0|2,0,0]=4