0 B14R2.20 C1=CC(=CC=C1C2=CC(=NN2)N)Br PI-22544 [0,0,0,0,0,0|3,0,1]=4 1 B14R2.20 C1=CC(=CC=C1C2=CSC(=N2)N)Cl PI-30301 [0,0,0,0,0,0|0,2,2]=4 2 B14R2.20 C1=CC(=CC=C1C2=CSC(=N2)N)F PI-31543 [0,0,0,0,0,0|0,2,2]=4 3 B14R2.20 C1=CC(=CC=C1C2=CSC(=N2)N)O PI-31545 [0,0,0,0,0,0|1,1,2]=4 4 B14R2.20 C1CC(=O)OC1C2=CC=C(C=C2)F PI-11378 [0,0,0,0,0,0|3,1,0]=4 5 B14R2.20 Cc1ccc(cc1)c2csc(n2)N PI-24219 [0,0,0,0,0,0|1,1,2]=4 6 B14R2.20 Nc1nc(cs1)c2ccc(cc2)Br PI-14062 [0,0,0,0,0,0|0,1,2]=3 7 B13R2.10 C1=CC=C(C=C1)C2=NC(=NS2)N PI-11904 [1,0,0,0,0,0|2,0,1]=4 8 B13R2.10 C1=CC=C(C=C1)C2=NSC(=N2)N PI-30216 [1,0,0,0,0,0|1,1,1]=4 9 B13R2.10 C1C(NC(=O)O1)C2=CC=CC=C2 PI-10343 [1,0,0,0,0,0|1,0,1]=3 10 B13R2.10 C1C(NC(=S)O1)C2=CC=CC=C2 PI-10344 [1,0,0,0,0,0|1,0,1]=3 11 B13R2.10 C1C(NC(=S)S1)C2=CC=CC=C2 PI-16639 [1,0,0,0,0,0|1,1,1]=4 12 B13R2.10 C1CN(N=C1N)C2=CC=CC=C2 PI-30482 [1,0,0,0,0,0|2,0,0]=3 13 B13R2.10 CC1=NC(=NO1)C2=CC=CC=C2 PI-30093 [1,0,0,0,0,0|2,0,1]=4 14 B13R2.10 O=C1CCC(O1)c2ccccc2 PI-18042 [1,0,0,0,0,0|3,0,0]=4 15 B13R2.10 O=C1OC[C@H](N1)c2ccccc2 PI-11224 [1,0,0,0,0,0|1,0,1]=3 16 B13R2.10 S=C1OC[C@H](N1)c2ccccc2 PI-16645 [1,0,0,0,0,0|1,0,1]=3 17 B13R2.10 S=C1SC[C@H](N1)c2ccccc2 PI-16640 [1,0,0,0,0,0|1,1,1]=4 18 B13R2.12 C1=CC(=CC=C1C2=NC=CN2)Br PI-45252 [1,0,0,0,0,0|2,0,1]=4 19 B13R2.12 C1=CC(=CC=C1C2=NOC=N2)N PI-48820 [1,0,0,0,0,0|2,0,1]=4 20 B15R2.309 Brc1ccc(cc1)c2nc(N)sc2C PI-22519 [0,1,0,0,0,0|0,1,2]=4 21 B13R1.14 COC(=O)CCC1=CC=C(C=C1)O PI-11989 [0,0,1,0,0,0|3,0,0]=4 22 B13R1.14 COC(=O)COC1=CC=C(C=C1)Br PI-50596 [0,0,1,0,0,0|3,0,0]=4 23 B13R1.132 C1=CC(=CC=C1C(CC(=O)O)N)Br PI-43723 [0,0,1,0,0,0|3,0,0]=4 24 B13R1.132 C1=CC(=CC=C1C(CC(=O)O)N)Br PI-43789 [0,0,1,0,0,0|3,0,0]=4 25 B13R1.513 O=C(O)CCCC1=CC=C(Br)C=C1 PI-46620 [0,0,1,0,0,0|3,0,0]=4 26 B15R2.98 C1C(NC(=O)O1)CC2=CC=C(C=C2)N PI-10520 [0,0,0,0,0,1|2,0,1]=4 27 B15R2.98 C1C(NC(=O)O1)CC2=CC=C(C=C2)N PI-42010 [0,0,0,0,0,1|2,0,1]=4 28 B12R1.16 CC(C1=CC=C(C=C1)Br)N=C=O PI-26151 [1,0,1,0,0,0|0,0,2]=4 29 B12R1.16 CC(C1=CC=C(C=C1)Br)N=C=O PI-26801 [1,0,1,0,0,0|0,0,2]=4 30 B12R1.21 C1=CC(=CC=C1CCC(=O)O)Br PI-22539 [1,0,1,0,0,0|2,0,0]=4 31 B12R1.107 CC(c1ccccc1)CC(=O)O PI-25588 [1,0,1,0,0,0|2,0,0]=4 32 B12R2.2 C1CC(N=C1)C2=CN=CC=C2 PI-44326 [2,0,0,0,0,0|2,0,0]=4 33 B12R1.49 COC(=O)CC1=CC=C(C=C1)Br PI-50433 [0,0,1,0,1,0|1,0,0]=3 34 B12R1.49 COC(=O)CC1=CC=C(C=C1)Cl PI-13010 [0,0,1,0,1,0|1,1,0]=4 35 B12R1.49 COC(=O)CC1=CC=C(C=C1)F PI-50441 [0,0,1,0,1,0|1,1,0]=4 36 B12R1.49 COC(=O)CC1=CC=C(C=C1)N PI-50506 [0,0,1,0,1,0|2,0,0]=4 37 B12R1.49 COC(=O)CC1=CC=C(C=C1)O PI-11994 [0,0,1,0,1,0|2,0,0]=4 38 B12R1.49 COC(=O)Cc1ccc(cc1)C PI-12770 [0,0,1,0,1,0|2,0,0]=4 39 B12R1.49 O\N=C(\N)/Cc1ccc(Br)cc1 PI-22267 [0,0,1,0,1,0|2,0,0]=4 40 B12R1.20 C1=CC(=CC=C1C(C(=O)O)N)Br PI-30107 [0,0,1,0,1,0|2,0,0]=4 41 B12R1.20 C1=CC(=CC=C1C(C(=O)O)O)Br PI-12127 [0,0,1,0,1,0|2,0,0]=4 42 B12R1.20 CC(C1=CC=C(C=C1)Cl)C(=O)O PI-30984 [0,0,1,0,1,0|1,1,0]=4 43 B12R1.20 CC(c1ccc(cc1)C)C(=O)O PI-11714 [0,0,1,0,1,0|2,0,0]=4 44 B14R2.19 C1C(NC(=S)O1)CC2=CC=CC=C2 PI-16646 [1,0,0,0,0,1|1,0,1]=4 45 B14R2.19 C1C(NC(=S)O1)CC2=CC=CC=C2 PI-16647 [1,0,0,0,0,1|1,0,1]=4 46 B14R2.19 O=C1OC[C@H](CC2=CC=CC=C2)N1 PI-16270 [1,0,0,0,0,1|1,0,1]=4 47 B14R2.19 O=C1OC[C@H](N1)Cc2ccccc2 PI-10266 [1,0,0,0,0,1|1,0,1]=4