0 B14R1.423 O=C(O)CNC(CC1=CC=CC=C1)=O AK135274 [0,0,0,0,0,0|3,0,1]=4 1 B14R1.423 O=C(OCC(C)C)CC1=CC=CC=C1 AK113962 [0,0,0,0,0,0|0,0,0]=0 2 B13R1.44 O=C(OCC=C)OC1=CC=CC=C1 AK656212 [1,0,0,0,0,0|1,0,2]=4 3 B15R1.3675 CC(C)C(=O)CC(=O)NC1=CC=CC=C1 AK-33034 [0,1,0,0,0,0|2,0,1]=4 4 B13R1.45 CN(C)C=CC(=O)C1=CC=CC=C1 AK-65185 [0,0,0,0,1,0|2,0,1]=4 5 B13R1.45 O=C(NNC(C)C)C1=CC=NC=C1 AK161712 [0,0,0,0,1,0|3,0,0]=4 6 B13R1.348 CC(=O)CC(=O)NC1=CC=CC=C1 AK104968 [0,0,0,0,1,0|2,0,1]=4 7 B13R1.348 CC(C)CC(CC1=CC=CC=C1)=O AK115092 [0,0,0,0,1,0|0,0,0]=1 8 B12R1.32 C(C)OC(CC1=NC=CC=N1)=O AK-24266 [2,0,0,0,0,0|2,0,0]=4 9 B12R1.32 CCCC(CC1=CC=CC=C1)=O AK113874 [2,0,0,0,0,0|0,0,0]=2 10 B12R1.32 O=C(OCC)CC1=CC=CC=C1 AK116248 [2,0,0,0,0,0|0,0,0]=2 11 B12R1.32 O=C(OCC)CC1=CC=CN=C1 AK-81622 [2,0,0,0,0,0|1,0,0]=3 12 B12R1.32 O=C(OCC)C[N+]1=CC=CC=C1 AK-60276 [2,0,0,0,0,0|1,0,0]=3 13 B14R1.160 O=C(OCC(C)=O)C1=CC=CC=C1N AK152077 [0,1,0,0,1,0|1,0,1]=4 14 B14R1.540 CC(C)C\C=C(C1=CC=CC=C1)\C=O AK307045 [0,1,0,0,1,0|1,0,0]=3 15 B14R1.678 CN(C)CCC(=O)C1=CC=C(O)C=C1 AK-80834 [0,1,0,0,1,0|2,0,0]=4 16 B14R1.3098 O=C(C1=CC=CC=C1)CC[N+](C)(C)C AK402196 [0,1,0,0,1,0|2,0,0]=4 17 B14R1.433 C(C)(C)(C)OC(=O)NC1=CC=NC=C1 AK-48633 [0,1,0,0,1,0|2,0,0]=4 18 B14R1.433 CC(C)(C)OC(=O)OC1=CC=CC=C1 AK111366 [0,1,0,0,1,0|1,0,0]=3 19 B14R1.433 O=C(OC(C)(C)C)NC1=CC=CN=C1 AK-80168 [0,1,0,0,1,0|2,0,0]=4 20 B14R1.433 O=C(OC(C)(C)C)NC1=NC=CC=C1 AK-44344 [0,1,0,0,1,0|2,0,0]=4 21 B14R1.5978 O=C(OC(C)C)NC1=CC=CC(Cl)=C1 AK343409 [0,1,0,0,1,0|1,0,0]=3 22 B16R1.6944 CC(C)C[C@@H](N)C(OCC1=CC=CC=C1)=O AK-63472 [0,1,0,0,0,1|1,0,0]=3 23 B16R1.6944 CC(C)C[C@H](N)C(OCC1=CC=CC=C1)=O AK115644 [0,1,0,0,0,1|1,0,0]=3 24 B16R1.560 O=C(NCC(OC)OC)CC1=CC=CC=C1 AK544174 [0,2,0,0,0,0|1,0,0]=3 25 B16R2.3322 NC1CN(C(OCC2=CC=CC=C2)=O)C1 AK-38985 [0,0,0,1,0,1|2,0,0]=4 26 B16R2.3322 OC1CN(C(OCC2=CC=CC=C2)=O)C1 AK-44258 [0,0,0,1,0,1|2,0,0]=4 27 B12R1.30 CNCCC(C1=CC=CC=C1)=O AK400477 [1,0,0,0,1,0|2,0,0]=4 28 B12R1.30 O=C(OCCC)C1=CC=CC=C1 AK-93452 [1,0,0,0,1,0|0,0,0]=2 29 B12R1.107 CC(CC(C1=CC=CC=C1)=O)=O AK161752 [0,0,0,0,2,0|1,0,1]=4 30 B14R1.156 BrCCNC(=O)OCC1=CC=CC=C1 AK-41250 [1,0,0,0,0,1|2,0,0]=4 31 B14R1.156 O=C(OCC1=CC=CC=C1)CCCBr AK116323 [1,0,0,0,0,1|2,0,0]=4 32 B14R1.156 O=C(OCC1=CC=CC=C1)CCCN AK-87747 [1,0,0,0,0,1|2,0,0]=4 33 B14R1.156 O=C(OCC1=CC=CC=C1)NCCN AK-43139 [1,0,0,0,0,1|2,0,0]=4 34 B14R1.156 O=C(OCC1=CC=CC=C1)NCCO AK-90111 [1,0,0,0,0,1|2,0,0]=4