0 B14R2.11645 CCc1cccc2C(=O)C(=O)Nc12 PI-28927 [0,0,0,0,0,0|2,0,1]=3 1 B14R2.11645 COC1=CC=CC2=C1NC(=O)C2=O PI-44590 [0,0,0,0,0,0|1,0,1]=2 2 B13R2.581 C1C2=C(C(=CC=C2)C#N)NC1=O PI-20309 [1,0,0,0,0,0|3,0,0]=4 3 B13R2.581 COC1=C2C(=CC=C1)SC(=O)N2 PI-48158 [1,0,0,0,0,0|1,0,0]=2 4 B13R2.581 COC1=CC=CC2=C1CC(=O)C2 PI-32759 [1,0,0,0,0,0|2,0,0]=3 5 B13R2.581 COc1cccc2c1nc(s2)N PI-30702 [1,0,0,0,0,0|2,0,1]=4 6 B13R2.4825 C1=CC=C(Br)C2=C1C(=O)C(=O)N2 PI-35969 [1,0,0,0,0,0|2,0,1]=4 7 B13R2.4825 C1=CC=C(C2=C1C(C(=O)N2)=O)Cl PI-10411 [1,0,0,0,0,0|2,0,1]=4 8 B13R2.4825 O=C1Nc2c(F)cccc2C1=O PI-28370 [1,0,0,0,0,0|2,0,1]=4 9 B13R2.4825 O=C1Nc2c(I)cccc2C1=O PI-35973 [1,0,0,0,0,0|2,0,1]=4 10 B13R1.91 COC(=O)Cc1ccccc1OC PI-30417 [0,0,1,0,0,0|3,0,0]=4 11 B13R1.91 COC1=CC=CC=C1CC(=O)NN PI-50382 [0,0,1,0,0,0|2,0,0]=3 12 B13R1.91 COC1=CC=CC=C1NC(=S)NN PI-29568 [0,0,1,0,0,0|1,1,0]=3 13 B15R2.20937 COC1=CC=CC2=C1NC(=O)C=C2O PI-25813 [0,0,0,0,0,1|1,0,0]=2 14 B15R2.20937 COC1=CC=CC2=C1NC(=O)NC2=O PI-36028 [0,0,0,0,0,1|1,0,1]=3 15 B12R1.440 CC1=C(C=CC=C1OC)C(=O)O PI-11935 [1,0,1,0,0,0|2,0,0]=4 16 B12R1.440 COC1=CC=CC(=C1N)C(=O)O PI-30469 [1,0,1,0,0,0|1,0,0]=3 17 B12R1.440 COC1=CC=CC(=C1O)C(=O)O PI-16106 [1,0,1,0,0,0|2,0,0]=4 18 B12R1.440 COc1cccc(c1Br)C(=O)O PI-39348 [1,0,1,0,0,0|2,0,0]=4 19 B12R1.75 CC(=O)CC1=CC=CC=C1OC PI-12199 [1,0,1,0,0,0|2,0,0]=4 20 B12R1.75 CC(=O)OC1=CC=CC=C1OC PI-26163 [1,0,1,0,0,0|2,0,0]=4 21 B12R1.75 CC(=O)OC1=CC=CC=C1OC PI-41862 [1,0,1,0,0,0|2,0,0]=4 22 B12R1.75 COc1ccccc1CC(=O)O PI-37988 [1,0,1,0,0,0|1,0,0]=3 23 B12R1.371 CC1=CC=CC=C1NC(=S)NN PI-29766 [1,0,1,0,0,0|1,1,0]=4 24 B12R1.225 OC(=O)C(O)c1cccc(C)c1 PI-24801 [1,0,1,0,0,0|2,0,0]=4 25 B12R1.438 COC1=CC=CC(=C1)CC(=O)O PI-15442 [1,0,1,0,0,0|2,0,0]=4 26 B12R1.1879 O=Cc1c(OC)cccc1OC PI-15326 [1,0,1,0,0,0|2,0,0]=4 27 B12R2.315 CCc1cccc2c1[nH]cc2 PI-16824 [2,0,0,0,0,0|2,0,0]=4 28 B12R2.315 COC1=CC=CC2=C1C=CN2 PI-16821 [2,0,0,0,0,0|1,0,0]=3 29 B12R2.315 COC1=CC=CC2=C1NC=C2 PI-16822 [2,0,0,0,0,0|1,0,0]=3 30 B12R2.315 COC1=CC=CC2=C1NCC2 PI-35812 [2,0,0,0,0,0|1,0,1]=4 31 B12R2.315 COC1=CC=CC2=C1OC=C2 PI-19860 [2,0,0,0,0,0|2,0,0]=4 32 B12R2.315 COc1cccc2cn[nH]c12 PI-36375 [2,0,0,0,0,0|2,0,0]=4 33 B12R2.202 C1=CC(=C2C(=C1)SC(=O)N2)F PI-45347 [2,0,0,0,0,0|2,0,0]=4 34 B12R2.202 C1=CC2=C(C(=C1)Cl)SC(=O)N2 PI-45344 [2,0,0,0,0,0|2,0,0]=4 35 B12R2.202 C1C2=C(C(=CC=C2)Cl)NC1=O PI-33957 [2,0,0,0,0,0|2,0,0]=4 36 B12R2.202 CC1=C2C(=CC=C1)SC(=O)N2 PI-45350 [2,0,0,0,0,0|1,0,0]=3 37 B12R2.202 CC1=C2C(=CC=C1)SC(=S)N2 PI-45337 [2,0,0,0,0,0|1,1,0]=4 38 B12R2.202 CC1=CC2=C(N1)C=CC=C2O PI-18492 [2,0,0,0,0,0|2,0,0]=4 39 B12R2.202 O=C1NC2=C(C=CC=C2F)C1 PI-40280 [2,0,0,0,0,0|2,0,0]=4 40 B12R2.18 O=C1C(=O)Nc2ccccc12 PI-31744 [2,0,0,0,0,0|1,0,1]=4 41 B14R1.41 COC1=C(C=CC(=C1)C(C(=O)O)O)O PI-27381 [0,1,1,0,0,0|2,0,0]=4 42 B14R2.535 C1C2=C(C=CC=C2NC1=O)CCO PI-33616 [1,1,0,0,0,0|2,0,0]=4 43 B14R2.8620 CC1=C2C(=C(C=C1)Br)C(=O)C(=O)N2 PI-11532 [1,1,0,0,0,0|1,0,1]=4 44 B14R2.8620 CC1=C2C(=C(C=C1)Cl)C(=O)C(=O)N2 PI-34469 [1,1,0,0,0,0|1,0,1]=4 45 B14R2.8620 CC1=C2C(=C(C=C1)F)C(=O)C(=O)N2 PI-34493 [1,1,0,0,0,0|1,0,1]=4 46 B14R2.8737 CC1=C(C=CC2=C1NC(=O)C2=O)F PI-34470 [1,1,0,0,0,0|1,0,1]=4 47 B14R2.9184 CC1=CC(=CC2=C1NC(=O)C2=O)Cl PI-11533 [1,1,0,0,0,0|1,0,1]=4 48 B14R2.9184 O=C1NC2=C(C=C(F)C=C2C)C1=O PI-34495 [1,1,0,0,0,0|1,0,1]=4 49 B16R2.172725 COC(=O)C1=CC=CC2=C1NC(=O)C2=O PI-40305 [0,2,0,0,0,0|1,0,1]=4 50 B14R2.3274 COC1=CC2=C(C=C1)NC(=O)C2=O PI-29557 [0,0,1,1,0,0|1,0,1]=4 51 B12R1.77 BrCC(=O)c1ccccc1OC PI-21566 [0,0,1,0,1,0|2,0,0]=4 52 B12R1.77 COC1=CC=CC=C1C(=O)CO PI-30335 [0,0,1,0,1,0|1,0,0]=3 53 B12R1.77 COC1=CC=CC=C1C(=O)NN PI-29896 [0,0,1,0,1,0|1,0,0]=3 54 B12R1.77 COC1=CC=CC=C1C(=O)OC PI-50275 [0,0,1,0,1,0|2,0,0]=4 55 B14R2.8045 CC1=C2C(=CC=C1)C(=O)OC(=O)N2 PI-18804 [1,0,0,0,0,1|1,0,1]=4 56 B14R2.1815 COc1ccc2c(c1)NC(=O)C2=O PI-35970 [0,0,0,0,1,1|1,0,1]=4