0 B13R1.337 C1=CC=C(C=C1)CCCCC(=O)O PI-44029 [0,0,0,0,0,0|2,0,2]=4 1 B13R1.337 C1=CC=C(C=C1)CCCOC(=O)N PI-15744 [0,0,0,0,0,0|1,0,2]=3 2 B13R1.337 C1=CC=C(C=C1)OCCOC(=O)Cl PI-42238 [0,0,0,0,0,0|2,0,1]=3 3 B12R1.8 O=CCCOCc1ccccc1 PI-39298 [1,0,0,0,0,0|2,0,1]=4 4 B14R1.420 OC(=O)CCCC(=O)c1ccccc1 PI-10931 [0,1,0,0,0,0|2,0,1]=4 5 B14R1.677 CC1=CC=C(C=C1)OCCOC(=O)C PI-19836 [0,1,0,0,0,0|1,0,1]=3 6 B14R1.716 COC(=O)CCNCC1=CC=CC=C1 PI-43375 [0,1,0,0,0,0|2,0,1]=4 7 B14R1.6449 C1=CC=C(C=C1)C=CCC(C(=O)O)N PI-43705 [0,1,0,0,0,0|2,0,0]=3 8 B14R1.6449 C1=CC=C(C=C1)C=CCC(C(=O)O)N PI-43708 [0,1,0,0,0,0|2,0,0]=3 9 B14R2.2 CC(=O)Cc1c[nH]c2ccccc12 PI-11089 [0,0,0,1,0,0|2,0,1]=4 10 B14R2.2 CC(=O)OC1=COC2=CC=CC=C21 PI-26983 [0,0,0,1,0,0|1,0,1]=3 11 B14R2.2 CC(=O)Oc1c[nH]c2ccccc12 PI-18747 [0,0,0,1,0,0|1,0,1]=3 12 B14R2.19 O=C1CCN(C1)Cc2ccccc2 PI-42677 [0,0,0,1,0,0|2,0,1]=4 13 B14R2.19 O=C1OC[C@H](CC2=CC=CC=C2)N1 PI-16270 [0,0,0,1,0,0|1,0,2]=4 14 B14R2.19 O=C1OC[C@H](N1)Cc2ccccc2 PI-10266 [0,0,0,1,0,0|1,0,2]=4 15 B14R2.21 CC1=CC(=CC=C1)C2=CC=CC=C2 PI-12703 [0,0,0,1,0,0|2,0,1]=4 16 B14R2.436 O=C1CC(OCc2ccccc2)C1 PI-36865 [0,0,0,1,0,0|2,0,1]=4 17 B14R2.31359 C1=CC=C2C(=C1)C=CC=C2C(=O)Cl PI-13187 [0,0,0,1,0,0|2,0,1]=4 18 B14R2.31359 C1=CC=C2C(=C1)C=CC=C2C(=O)N PI-14568 [0,0,0,1,0,0|2,0,1]=4 19 B14R2.31359 CC(C1=C2C=CC=CC2=CC=C1)=O PI-33670 [0,0,0,1,0,0|1,0,1]=3 20 B14R2.31359 OC(=O)c1cccc2ccccc12 PI-32009 [0,0,0,1,0,0|2,0,1]=4 21 B14R2.31359 OC(=O)c1nccc2c1cccc2 PI-20315 [0,0,0,1,0,0|3,0,0]=4 22 B12R1.252 C1=CC=C(C=C1)CNCC(=O)O PI-28809 [0,0,0,0,1,0|2,0,1]=4 23 B12R1.252 C1=CC=C(C=C1)OCCC(=O)O PI-32597 [0,0,0,0,1,0|2,0,1]=4 24 B12R1.252 CC(=O)CSCC1=CC=CC=C1 PI-12794 [0,0,0,0,1,0|1,0,1]=3 25 B12R1.252 CC(=O)NCCC1=CC=CC=C1 PI-26960 [0,0,0,0,1,0|1,0,1]=3 26 B12R1.252 ClC(=O)COCc1ccccc1 PI-35826 [0,0,0,0,1,0|2,0,1]=4 27 B12R1.252 OC(=O)CCCc1ccccc1 PI-29265 [0,0,0,0,1,0|1,0,2]=4 28 B12R1.252 OC(=O)CNCc1ccccc1 PI-27252 [0,0,0,0,1,0|2,0,1]=4 29 B12R1.252 OC(=O)COCc1ccccc1 PI-33690 [0,0,0,0,1,0|2,0,1]=4 30 B12R1.252 [O-]C(=O)CCCc1ccccc1 PI-38535 [0,0,0,0,1,0|1,0,2]=4 31 B13R1.45 C1=CC=C(C=C1)C(=O)C=CC(=O)O PI-30741 [0,1,0,0,1,0|1,0,1]=4 32 B13R1.45 C1=CC=C(C=C1)C(=O)NCC(=O)O PI-48841 [0,1,0,0,1,0|2,0,0]=4 33 B13R1.45 CC(=O)OCC(=O)C1=CC=CC=C1 PI-26318 [0,1,0,0,1,0|0,0,0]=2 34 B13R1.45 O=C(O)CSC(C1=CC=CC=C1)=S PI-18986 [0,1,0,0,1,0|2,0,0]=4 35 B13R1.348 C1=CC=C(C=C1)OC(=O)CC(=O)O PI-18496 [0,1,0,0,1,0|2,0,0]=4 36 B13R1.348 CC(=CC1=CC=CC=C1)CC(=O)N PI-17442 [0,1,0,0,1,0|1,0,0]=3 37 B15R1.9084 C1=CC=C(C=C1)C=CCC(CC(=O)O)N PI-43716 [0,1,0,0,0,1|2,0,0]=4 38 B15R1.9084 C1=CC=C(C=C1)C=CCC(CC(=O)O)N PI-43717 [0,1,0,0,0,1|2,0,0]=4 39 B13R2.3 C1(C2=CC=CC=C2)=CCNCC1 PI-32093 [1,0,0,1,0,0|1,0,1]=4 40 B13R2.3 C1CNCC=C1C2=CC=CC=C2 PI-25561 [1,0,0,1,0,0|1,0,1]=4 41 B13R2.1613 O=Cc1cccc2c1cccc2 PI-32008 [1,0,0,1,0,0|1,0,1]=4 42 B13R2.10 C1=CC=C(C=C1)C2=CSC(=O)N2 PI-20850 [0,0,0,1,1,0|1,1,0]=4 43 B13R2.10 C1C(NC(=O)O1)C2=CC=CC=C2 PI-10343 [0,0,0,1,1,0|1,0,1]=4 44 B13R2.10 CC1=NC(=NO1)C2=CC=CC=C2 PI-30093 [0,0,0,1,1,0|2,0,0]=4 45 B13R2.10 O=C1OC[C@H](N1)c2ccccc2 PI-11224 [0,0,0,1,1,0|1,0,1]=4 46 B13R2.31 O=C1CC(OC2=CC=CC=C2)C1 PI-46663 [0,0,0,1,1,0|1,0,1]=4 47 B13R2.72 CC(=O)C1=CSC2=CC=CC=C21 PI-26355 [0,0,0,1,1,0|1,0,1]=4 48 B13R2.72 CC(=O)N1CCc2c1cccc2 PI-11076 [0,0,0,1,1,0|1,0,1]=4 49 B13R2.72 CC(=O)c1c[nH]c2c1cccc2 PI-10234 [0,0,0,1,1,0|1,0,1]=4 50 B13R2.72 CC(=O)c1csc2c1cccc2 PI-32064 [0,0,0,1,1,0|1,0,1]=4 51 B13R2.72 CC(=O)n1ccc2ccccc12 PI-11075 [0,0,0,1,1,0|1,0,0]=3 52 B15R2.6 OC(=O)CCc1c[nH]c2ccccc12 PI-16171 [0,0,0,1,0,1|2,0,0]=4 53 B15R2.68122 CC(=O)NC1=CC=CC2=CC=CC=C21 PI-13188 [0,0,0,1,0,1|1,0,1]=4 54 B15R2.68122 CC(=O)OC1=CC=CC2=C1N=CC=C2 PI-29408 [0,0,0,1,0,1|1,0,1]=4 55 B15R2.1668 CC(=O)NC1=CC2=CC=CC=C2C=C1 PI-18030 [0,1,0,1,0,0|1,0,1]=4 56 B15R2.1668 CC(=O)OC1=CC2=CC=CC=C2C=C1 PI-26164 [0,1,0,1,0,0|0,0,1]=3 57 B15R2.325 CC1=NC(=CC2=CC=CC=C2)C(=O)O1 PI-33805 [0,1,0,1,0,0|1,0,1]=4 58 B15R2.1162 CC(=O)C1=C(C=CC2=CC=CC=C21)O PI-25694 [0,1,0,1,0,0|1,0,1]=4 59 B11R1.91 C1=CC=C(C=C1)C=CC(=O)[O-] PI-12955 [0,0,0,0,2,0|1,0,0]=3 60 B11R1.91 C1=CC=C(C=C1)CCC(=O)Cl PI-11944 [0,0,0,0,2,0|1,0,1]=4 61 B11R1.91 C1=CC=C(C=C1)NCC(=O)O PI-14870 [0,0,0,0,2,0|2,0,0]=4 62 B11R1.91 C1=CC=C(C=C1)OCC(=O)O PI-32615 [0,0,0,0,2,0|2,0,0]=4 63 B11R1.91 C1=CC=C(C=C1)OCC(=O)[O-] PI-50538 [0,0,0,0,2,0|2,0,0]=4 64 B11R1.91 CC(=O)NNc1ccccc1 PI-32317 [0,0,0,0,2,0|2,0,0]=4 65 B11R1.91 NC(=O)\C=C\c1ccccc1 PI-30792 [0,0,0,0,2,0|1,0,0]=3 66 B11R1.91 OC(=O)\C=C\c1ccccn1 PI-28790 [0,0,0,0,2,0|2,0,0]=4 67 B11R1.91 OC(=O)\C=C\c1cccnc1 PI-28055 [0,0,0,0,2,0|2,0,0]=4 68 B11R1.91 OC(=O)\C=C\c1ccncc1 PI-31341 [0,0,0,0,2,0|2,0,0]=4 69 B11R1.91 [O-]C(=O)CNc1ccccc1 PI-17946 [0,0,0,0,2,0|2,0,0]=4 70 B11R1.91 [O-][N+](=O)\C=C\c1ccccc1 PI-36903 [0,0,0,0,2,0|2,0,0]=4