0 B10R1.66 C1=COC(=C1)C=C[N+](=O)[O-] PI-17051 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.66 C1=COC(=C1)CNC(=S)N PI-17050 [0,0,0,0,0,0|2,1,0]=3 2 B10R1.66 C1=CSC(=N1)CCC(=O)O PI-24109 [0,0,0,0,0,0|3,1,0]=4 3 B10R1.66 CC(=O)C=CC1=CC=CO1 PI-17492 [0,0,0,0,0,0|1,0,1]=2 4 B10R1.66 CC(=O)C=CC1=CC=CS1 PI-29954 [0,0,0,0,0,0|1,1,1]=3 5 B10R1.66 OC(=O)CCc1cccs1 PI-24513 [0,0,0,0,0,0|2,1,0]=3 6 B10R1.66 OC(=O)\C=C\c1ccco1 PI-28626 [0,0,0,0,0,0|2,0,1]=3 7 B10R1.66 OC(=O)\C=C\c1ccco1 PI-31027 [0,0,0,0,0,0|2,0,1]=3 8 B10R1.66 OC(=O)\C=C\c1cccs1 PI-28053 [0,0,0,0,0,0|2,1,1]=4 9 B10R1.66 OC(=O)\C=C\c1cccs1 PI-39126 [0,0,0,0,0,0|2,1,1]=4 10 B9R1.12 CCCCC1=CC=CS1 PI-44597 [1,0,0,0,0,0|1,1,1]=4 11 B11R1.25 C1=COC(=C1)CNC(=O)CCl PI-17331 [0,1,0,0,0,0|1,0,0]=2 12 B11R1.25 CCC(=O)SCC1=CC=CO1 PI-48511 [0,1,0,0,0,0|0,1,0]=2 13 B11R1.25 COC(=O)C=CC1=CC=CS1 PI-29331 [0,1,0,0,0,0|1,1,1]=4 14 B11R1.25 COC(=O)CCc1ccc[nH]1 PI-39032 [0,1,0,0,0,0|2,0,0]=3 15 B11R1.35 C1=COC(=C1)CC(C(=O)O)N PI-43398 [0,1,0,0,0,0|2,0,0]=3 16 B11R1.35 C1=COC(=C1)CC(C(=O)O)N PI-43461 [0,1,0,0,0,0|2,0,0]=3 17 B11R1.35 C1=CSC(=C1)CC(C(=O)O)N PI-25746 [0,1,0,0,0,0|2,1,0]=4 18 B11R1.35 OC(=O)[C@H](Cc1cccs1)N PI-25369 [0,1,0,0,0,0|2,1,0]=4 19 B11R1.77 C1=CSC(=C1)C(CC(=O)O)N PI-17003 [0,1,0,0,0,0|2,1,0]=4 20 B11R1.77 C1=CSC(=C1)C(CC(=O)O)N PI-17004 [0,1,0,0,0,0|2,1,0]=4 21 B9R0.2 CC=CC=CCOC(=O)C PI-40367 [0,0,1,0,0,0|1,0,0]=2 22 B9R1.13 C1=CN(N=C1)CC(=O)O PI-35655 [0,0,0,0,1,0|3,0,0]=4 23 B9R1.13 C1=COC=C1CC(=O)O PI-36295 [0,0,0,0,1,0|3,0,0]=4 24 B9R1.13 C1=CSC(=C1)CC(=O)Cl PI-11881 [0,0,0,0,1,0|1,1,0]=3 25 B9R1.13 CC(=O)NC1=CC=CS1 PI-12512 [0,0,0,0,1,0|1,1,0]=3 26 B9R1.13 CC(=O)NC1=NC=CS1 PI-26514 [0,0,0,0,1,0|2,1,0]=4 27 B9R1.13 CC(N)CC1=CC=CS1 PI-40008 [0,0,0,0,1,0|1,1,1]=4 28 B9R1.13 CC(N)Cc1ccco1 PI-36445 [0,0,0,0,1,0|1,0,1]=3 29 B9R1.13 OC(=O)CC1=CC=C[CH-]1 PI-40764 [0,0,0,0,1,0|2,0,0]=3 30 B9R1.13 OC(=O)Cc1c[nH]cn1 PI-21909 [0,0,0,0,1,0|3,0,0]=4 31 B9R1.13 OC(=O)Cc1cccs1 PI-11148 [0,0,0,0,1,0|1,1,0]=3 32 B9R1.13 OC(=O)Cc1cscc1 PI-15240 [0,0,0,0,1,0|3,0,0]=4 33 B11R1.91 C1=CC=C(C=C1)CCC(=O)Cl PI-11944 [0,0,0,0,0,1|3,0,0]=4 34 B11R1.91 CC(=O)NNc1ccccc1 PI-32317 [0,0,0,0,0,1|3,0,0]=4 35 B8R1.8 CNCC1=CC=NO1 PI-48159 [2,0,0,0,0,0|2,0,0]=4 36 B8R1.8 CSCC1=CC=CO1 PI-48491 [2,0,0,0,0,0|0,1,0]=3 37 B10R1.11 CCOC(=O)C1=CC=CO1 PI-45416 [1,1,0,0,0,0|0,0,2]=4 38 B10R1.16 O=CCCC1=CC=C(C)O1 PI-42086 [1,1,0,0,0,0|1,0,0]=3 39 B10R1.21 C1=COC(=C1)CSCCN PI-17187 [1,1,0,0,0,0|0,1,1]=4 40 B10R1.54 CC(=O)Cc1cnc(s1)N PI-15461 [0,1,0,0,1,0|1,1,0]=4 41 B10R1.54 CC1=CSC(=C1)CC(=O)C PI-48378 [0,1,0,0,1,0|0,1,0]=3 42 B12R1.21 CC(CCC1=CC=C(O)C=C1)=O PI-37298 [0,1,0,0,0,1|2,0,0]=4 43 B12R1.27 C1=CC=C(C=C1)CNC(=O)CCl PI-49782 [0,1,0,0,0,1|2,0,0]=4 44 B12R1.27 C1=CC=C(C=C1)COC(=O)CBr PI-32119 [0,1,0,0,0,1|1,0,0]=3 45 B12R1.27 C1=CC=C(C=C1)COC(=O)CO PI-48132 [0,1,0,0,0,1|1,0,0]=3 46 B12R1.27 C1=CC=C(C=C1)COC(=O)NN PI-13115 [0,1,0,0,0,1|2,0,0]=4 47 B12R1.27 C=CC(=O)OCc1ccccc1 PI-40377 [0,1,0,0,0,1|1,0,1]=4 48 B12R1.27 CCC(=O)CCC1=CC=CC=C1 PI-33801 [0,1,0,0,0,1|2,0,0]=4 49 B12R1.27 NCC(=O)OCc1ccccc1 PI-12180 [0,1,0,0,0,1|1,0,0]=3 50 B12R1.27 NCC(=O)OCc1ccccc1 PI-12746 [0,1,0,0,0,1|1,0,0]=3 51 B12R1.27 ONC(=O)OCc1ccccc1 PI-38635 [0,1,0,0,0,1|2,0,0]=4 52 B12R1.107 CC(C1=CC=CC=C1)NC(=O)C PI-26590 [0,1,0,0,0,1|2,0,0]=4 53 B12R1.107 CC(N[C@H](C1=CC=CC=C1)C)=O PI-26251 [0,1,0,0,0,1|2,0,0]=4 54 B12R1.130 CC1=C(SC=N1)CCOC(=O)C PI-11135 [0,1,0,0,0,1|1,1,0]=4 55 B12R1.260 C1=COC(=C1)CC(CC(=O)O)N PI-26497 [0,1,0,0,0,1|2,0,0]=4 56 B12R1.51 CCOC(=O)CCC1=CC=CO1 PI-19017 [0,2,0,0,0,0|1,0,0]=3 57 B12R1.59 O=Cc1ccc(o1)COC(=O)C PI-26048 [0,2,0,0,0,0|0,0,0]=2 58 B10R1.113 Oc1cccc(c1)C(=O)C PI-31363 [0,0,1,1,0,0|1,0,1]=4 59 B12R2.24 O=C1CCc2c(C1)cccc2 PI-18642 [0,0,0,1,0,1|2,0,0]=4 60 B12R2.24 O=C1OCc2ccccc2C1 PI-10151 [0,0,0,1,0,1|1,0,0]=3 61 B12R2.2383 C1C(O1)COCC2=CC=CO2 PI-46983 [0,0,0,1,0,1|0,0,2]=4 62 B8R1.7 C1=C(ON=C1)C(=O)Cl PI-29789 [0,0,0,0,2,0|2,0,0]=4 63 B8R1.7 C1=COC(=C1)C(=O)N PI-17349 [0,0,0,0,2,0|1,0,0]=3 64 B8R1.7 C1=CSC(=C1)C(=O)N PI-50586 [0,0,0,0,2,0|1,1,0]=4 65 B8R1.7 C1=CSC(=C1)C(=O)[O-] PI-11153 [0,0,0,0,2,0|1,1,0]=4 66 B8R1.7 C1=CSC(=N1)C(C)=O PI-11117 [0,0,0,0,2,0|1,1,0]=4 67 B8R1.7 CC(=O)C1=CC=CN1 PI-12083 [0,0,0,0,2,0|1,0,0]=3 68 B8R1.7 CC(=O)C1=CC=NN1 PI-44747 [0,0,0,0,2,0|2,0,0]=4 69 B8R1.7 CC(=O)C1=CN=CN1 PI-45218 [0,0,0,0,2,0|2,0,0]=4 70 B8R1.7 CC(=O)C1=CN=CN1 PI-45286 [0,0,0,0,2,0|2,0,0]=4 71 B8R1.7 CC(=O)c1cscc1 PI-16499 [0,0,0,0,2,0|2,0,0]=4 72 B8R1.7 CC(C1=NC=CN1)=O PI-39737 [0,0,0,0,2,0|2,0,0]=4 73 B8R1.7 NC(=S)c1ccco1 PI-19230 [0,0,0,0,2,0|1,1,0]=4 74 B8R1.7 OC(=O)c1ccc[nH]1 PI-27813 [0,0,0,0,2,0|2,0,0]=4 75 B8R1.7 OC(=O)c1cccs1 PI-38239 [0,0,0,0,2,0|1,1,0]=4 76 B8R1.7 OC(=O)c1ccno1 PI-29335 [0,0,0,0,2,0|2,0,0]=4 77 B12R1.252 CC(=O)CSCC1=CC=CC=C1 PI-12794 [0,0,0,0,0,2|1,1,0]=4 78 B12R1.252 CC(=O)NCCC1=CC=CC=C1 PI-26960 [0,0,0,0,0,2|2,0,0]=4 79 B12R1.252 ClC(=O)COCc1ccccc1 PI-35826 [0,0,0,0,0,2|2,0,0]=4 80 B12R1.252 OC(=O)COCc1ccccc1 PI-33690 [0,0,0,0,0,2|2,0,0]=4