0 B13R2.32 CC1C(=O)CCC2=CC=CC=C12 PI-17164 [1,0,0,0,0,0|2,0,0]=3 1 B13R2.369 O=c1oc2ccccc2cc1N PI-17434 [1,0,0,0,0,0|1,0,2]=4 2 B13R1.135 C1=CC=C(C=C1)C[C@@H](C(=O)NN)N PI-50293 [0,0,1,0,0,0|1,0,0]=2 3 B13R1.135 COC(=O)C(CC1=CC=CC=C1)N PI-18139 [0,0,1,0,0,0|2,0,0]=3 4 B13R1.135 COC(=O)C(CC1=CC=CC=C1)O PI-15702 [0,0,1,0,0,0|3,0,0]=4 5 B13R1.135 COC(=O)[C@H](Cc1ccccc1)N PI-13397 [0,0,1,0,0,0|2,0,0]=3 6 B13R2.3085 O=C1c2ccccc2N(C1=O)C PI-30280 [0,0,0,0,1,0|2,0,1]=4 7 B12R1.371 CC1=CC=CC=C1NC(=S)NN PI-29766 [1,0,1,0,0,0|1,1,0]=4 8 B12R1.27 C1=CC=C(C=C1)CCC(=O)NN PI-50331 [1,0,1,0,0,0|1,0,0]=3 9 B12R1.27 C1=CC=C(C=C1)COC(=O)CO PI-48132 [1,0,1,0,0,0|2,0,0]=4 10 B12R1.27 C1=CC=C(C=C1)COC(=O)NN PI-13115 [1,0,1,0,0,0|2,0,0]=4 11 B12R1.27 C1=CC=C(C=C1)OCC(=O)NN PI-50252 [1,0,1,0,0,0|2,0,0]=4 12 B12R1.27 CCC(=O)CCC1=CC=CC=C1 PI-33801 [1,0,1,0,0,0|2,0,0]=4 13 B12R1.27 ONC(=O)OCc1ccccc1 PI-38635 [1,0,1,0,0,0|1,0,0]=3 14 B12R1.43 C1=CC(=CN=C1)CC(C(=O)O)N PI-14958 [1,0,1,0,0,0|1,0,0]=3 15 B12R1.43 C1=CC=C(C=C1)CC(C(=O)N)N PI-41047 [1,0,1,0,0,0|0,0,0]=2 16 B12R1.43 C1=CC=C(C=C1)CC(C(=O)N)N PI-42203 [1,0,1,0,0,0|0,0,0]=2 17 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)O PI-10517 [1,0,1,0,0,0|1,0,0]=3 18 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)O PI-46947 [1,0,1,0,0,0|1,0,0]=3 19 B12R1.43 C1=CC=NC(=C1)CC(C(=O)O)N PI-14954 [1,0,1,0,0,0|1,0,0]=3 20 B12R1.43 C=C(C(=O)O)Cc1ccccc1 PI-12179 [1,0,1,0,0,0|1,0,1]=4 21 B12R1.43 CC(Oc1ccccc1)C(=O)O PI-32598 [1,0,1,0,0,0|2,0,0]=4 22 B12R1.43 CN(C(=O)NC1=CC=CC=C1)O PI-20818 [1,0,1,0,0,0|2,0,0]=4 23 B12R1.43 N[C@@H](C(=O)O)Cc1ccccc1 PI-31261 [1,0,1,0,0,0|0,0,0]=2 24 B12R1.43 N[C@@H](C(=O)O)Cc1ccncc1 PI-25509 [1,0,1,0,0,0|1,0,0]=3 25 B12R1.43 N[C@@H](Cc1ccncc1)C(=O)O PI-25508 [1,0,1,0,0,0|1,0,0]=3 26 B12R1.43 O=C(C(=O)O)Cc1ccccc1 PI-12929 [1,0,1,0,0,0|1,0,1]=4 27 B12R1.43 OC(=O)[C@@H](Cc1ccccn1)N PI-14955 [1,0,1,0,0,0|1,0,0]=3 28 B12R1.43 OC(=O)[C@@H](Cc1cccnc1)N PI-14959 [1,0,1,0,0,0|1,0,0]=3 29 B12R1.43 O[C@@H](C(=O)O)Cc1ccccc1 PI-28788 [1,0,1,0,0,0|1,0,0]=3 30 B12R1.34 C1=CC=C(C=C1)C(C(=O)NN)O PI-50234 [1,0,1,0,0,0|2,0,0]=4 31 B12R1.34 COC(=O)C(C1=CC=CC=C1)O PI-31834 [1,0,1,0,0,0|2,0,0]=4 32 B12R1.34 COC(=O)C(C1=CC=CC=C1)O PI-31835 [1,0,1,0,0,0|2,0,0]=4 33 B12R2.24 C1=CC=C2C(=C1)NC(=O)C=N2 PI-49857 [2,0,0,0,0,0|1,0,1]=4 34 B12R2.24 C1C(=O)NC2=CC=CC=C2N1 PI-50558 [2,0,0,0,0,0|1,0,0]=3 35 B12R2.24 C1CC2=CC=CC=C2CC1N PI-35442 [2,0,0,0,0,0|1,0,1]=4 36 B12R2.24 C1CC2=CC=CC=C2C[C@@H]1N PI-48325 [2,0,0,0,0,0|1,0,1]=4 37 B12R2.24 C1CC2=CC=CC=C2C[C@H]1N PI-48324 [2,0,0,0,0,0|1,0,1]=4 38 B12R2.24 CC1CCC2=CC=CC=C2N1 PI-33332 [2,0,0,0,0,0|1,0,1]=4 39 B12R2.24 NC1CNc2ccccc2C1 PI-36230 [2,0,0,0,0,0|0,0,1]=3 40 B12R2.24 O=C1CCc2c(C1)cccc2 PI-18642 [2,0,0,0,0,0|1,0,0]=3 41 B12R2.24 O=C1CCc2c(N1)cccc2 PI-29698 [2,0,0,0,0,0|0,0,0]=2 42 B12R2.24 O=C1CSc2c(N1)cccc2 PI-14812 [2,0,0,0,0,0|1,0,0]=3 43 B12R2.24 O=C1OCc2ccccc2C1 PI-10151 [2,0,0,0,0,0|2,0,0]=4 44 B12R2.1081 C1CC(C2=CC=CC=C2C1)O PI-18634 [2,0,0,0,0,0|1,0,1]=4 45 B12R2.1081 CN1CCCc2c1cccc2 PI-37581 [2,0,0,0,0,0|1,0,1]=4 46 B12R2.1081 O[C@@H]1CCCc2ccccc12 PI-18372 [2,0,0,0,0,0|1,0,1]=4 47 B12R2.1081 O[C@H]1CCCc2ccccc12 PI-18655 [2,0,0,0,0,0|1,0,1]=4 48 B14R1.3135 C1=CC=C(C(=C1)CC(C(=O)O)N)C#N PI-25396 [0,1,1,0,0,0|2,0,0]=4 49 B14R1.3135 C1=CC=C(C(=C1)CC(C(=O)O)N)C#N PI-25397 [0,1,1,0,0,0|2,0,0]=4 50 B14R1.60 CCOC(=O)[C@H](Cc1ccccc1)N PI-30470 [0,1,1,0,0,0|2,0,0]=4 51 B14R1.134 COC(=O)C(CC1=CC=C(C=C1)Cl)N PI-30139 [0,1,1,0,0,0|2,0,0]=4 52 B14R1.134 COC(=O)C(CC1=CC=C(C=C1)O)N PI-15757 [0,1,1,0,0,0|2,0,0]=4 53 B14R1.134 COC(=O)C(CC1=CC=C(C=C1)O)N PI-37608 [0,1,1,0,0,0|2,0,0]=4 54 B14R1.134 COC(=O)[C@@H](Cc1ccc(cc1)O)N PI-37609 [0,1,1,0,0,0|2,0,0]=4 55 B14R1.134 NNC(=O)[C@@H](N)Cc1ccc(O)cc1 PI-27899 [0,1,1,0,0,0|1,0,0]=3