0 B14R1.160 CC(=O)COC(=O)C1=C(N)C=CC=C1 A12001 [0,0,0,0,0,0|1,0,1]=2 1 B13R1.45 CC(C)CCC(=O)C1=CC=CC=C1 Y11605 [1,0,0,0,0,0|1,0,0]=2 2 B13R1.45 CC(C)NNC(=O)C1=CC=NC=C1 S10635 [1,0,0,0,0,0|3,0,0]=4 3 B13R1.45 C[C@H](O)COC(=O)C1=CC=CC=C1 D93462 [1,0,0,0,0,0|1,0,0]=2 4 B13R1.674 CCCCC(=O)C1=C(F)C=CC=C1 N13949 [1,0,0,0,0,0|2,0,0]=3 5 B15R1.86 CNC1=C(C(=O)OCC(C)C)C=CC=C1 31908 [0,1,0,0,0,0|0,0,0]=1 6 B15R1.5822 C[C@H](O)CNC(=O)C1=C(Cl)C=C(Cl)C=C1 31539 [0,1,0,0,0,0|3,0,0]=4 7 B15R2.308 CC1CCN(C2=C(N)C=CC=C2)CC1 C74312 [0,0,0,1,0,0|3,0,0]=4 8 B13R1.201 CC(C)CC(=O)C1=C(Cl)C=CC=C1 F10466 [0,0,0,0,1,0|1,0,0]=2 9 B13R1.201 CC(C)C[C@H](C)C1=C(N)C=CC=C1 C13510 [0,0,0,0,1,0|1,0,1]=3 10 B13R1.201 CC(C)C[C@H](N)C1=C(N)C=CC=C1 F52561 [0,0,0,0,1,0|1,0,1]=3 11 B12R1.30 C#CCOC(=O)C1=CC=CC=C1 D76871 [2,0,0,0,0,0|0,0,2]=4 12 B12R1.30 NCCNC(=O)C1=CC=CC=C1 F20112 [2,0,0,0,0,0|2,0,0]=4 13 B12R1.308 CCOC(=O)C1=C(C)C=CN=C1 72062 [2,0,0,0,0,0|2,0,0]=4 14 B12R1.308 CCOC(=O)C1=C(Cl)C=CC=N1 W18461 [2,0,0,0,0,0|2,0,0]=4 15 B12R1.308 CCOC(=O)C1=C(N)C=CN=C1 A12134 [2,0,0,0,0,0|1,0,0]=3 16 B12R1.308 CCOC(=O)C1=C(N)N=NC=C1 31637 [2,0,0,0,0,0|2,0,0]=4 17 B12R1.308 CCOC(=O)C1=C(O)C=NC=C1 BL009831 [2,0,0,0,0,0|2,0,0]=4 18 B12R1.308 CCOC(=O)C1=CC=CN=C1Br 24958 [2,0,0,0,0,0|2,0,0]=4 19 B12R1.308 CCOC(=O)C1=NC=CC=C1C 30595 [2,0,0,0,0,0|2,0,0]=4 20 B12R1.308 CCOC(=O)C1=NC=CN=C1N 89343 [2,0,0,0,0,0|2,0,0]=4 21 B12R1.308 CONC(=O)C1=C(N)C=CC=C1 W13132 [2,0,0,0,0,0|2,0,0]=4 22 B12R1.308 O=C(CCCl)C1=C(F)C=CC=C1 AC7173 [2,0,0,0,0,0|2,0,0]=4 23 B14R1.163 O=C(OC[C@@H](O)CO)C1=CC=CC=C1 C74734 [1,1,0,0,0,0|1,0,0]=3 24 B14R1.678 CC1=CC=C(C(=O)CCN(C)C)C=C1 30691 [1,1,0,0,0,0|2,0,0]=4 25 B14R1.678 CN(C)CCC(=O)C1=CC=C(Cl)C=C1 30440 [1,1,0,0,0,0|2,0,0]=4 26 B14R1.678 CN(C)CCC(=O)C1=CC=C(O)C=C1 75642 [1,1,0,0,0,0|2,0,0]=4 27 B14R1.3098 C[N+](C)(C)CCC(=O)C1=CC=CC=C1 C74257 [1,1,0,0,0,0|2,0,0]=4 28 B14R1.4451 CC(C)(C)OC(=O)C1=C(F)C=CC=N1 C73682 [0,1,0,0,1,0|2,0,0]=4 29 B14R1.4451 CC(C)(C)OC(=O)C1=C(I)C=CC=C1 W19040 [0,1,0,0,1,0|1,0,0]=3 30 B14R1.4451 CC(C)(C)OC(=O)C1=C(N)C=CC=C1 AB1268 [0,1,0,0,1,0|0,0,0]=2 31 B14R1.4451 CC(C)(C)OC(=O)C1=CC=CN=C1Cl 96863 [0,1,0,0,1,0|2,0,0]=4 32 B14R1.4451 CC1=C(C(=O)OC(C)(C)C)C=CC=C1 21102 [0,1,0,0,1,0|1,0,0]=3 33 B14R1.5805 CC(C)C[C@](C)(O)C1=C(N)C=CC=C1 C13529 [0,1,0,0,1,0|0,0,2]=4 34 B14R1.5805 CC(C)NS(=O)(=O)C1=C(N)C=CC=C1 25018 [0,1,0,0,1,0|2,0,0]=4 35 B14R1.6052 CC(C)NC(=O)C1=CC(Br)=CN=C1N W11345 [0,1,0,0,1,0|2,0,0]=4 36 B16R1.4547 CC(C)COC(=O)C1=C(C(=O)O)C=CC=C1 73895 [0,2,0,0,0,0|1,0,0]=3 37 B14R2.768 CN(C)CC1=CC2=C(C=CC=C2)N1 F52720 [1,0,0,1,0,0|2,0,0]=4 38 B14R2.2 C[C@H](O)CC1=CNC2=C1C=CC=C2 P11617 [0,0,0,1,1,0|2,0,0]=4 39 B14R2.8052 CC1(C)OC(=O)C2=C1C=CN=C2Cl C74465 [0,0,0,1,1,0|2,0,0]=4 40 B14R2.8052 C[C@H]1CC(C)(C)C2=CC=CC(N)=C21 F17604 [0,0,0,1,1,0|1,0,1]=4 41 B14R2.29496 C[C@H]1CC(C)(C)NC2=C1C=CC=C2 C75062 [0,0,0,1,1,0|1,0,1]=4 42 B14R2.29496 C[C@H]1CC(C)(C)NC2=C1C=CC=C2 W16294 [0,0,0,1,1,0|1,0,1]=4 43 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 20111 [1,0,0,0,1,0|1,0,1]=4 44 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 20113 [1,0,0,0,1,0|1,0,1]=4 45 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 Y11320 [1,0,0,0,1,0|1,0,1]=4 46 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 Y11540 [1,0,0,0,1,0|1,0,1]=4 47 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 Y11782 [1,0,0,0,1,0|1,0,1]=4 48 B12R1.124 CC(C)C(=O)C1=C(Cl)C=CC=C1 N12696 [0,0,0,0,2,0|1,0,0]=3 49 B12R1.124 CC(C)C(=O)C1=C(F)C=CC=C1 N13950 [0,0,0,0,2,0|1,0,0]=3 50 B12R1.124 CN(C)C(=O)C1=C(Br)C=CC=C1 D71121 [0,0,0,0,2,0|2,0,0]=4