0 B14R1.42 C(=C/[N+](=O)[O-])\C1=CC=C(C(=C1)OC)O S594636 [0,0,0,0,0,0|2,0,0]=2 1 B13R1.511 CC(=O)/C=C/C1=CC(=C(C=C1)Cl)Cl PH003269 [1,0,0,0,0,0|2,0,0]=3 2 B13R1.511 O=C(O)/C=C/C1=CC(=C(C=C1)F)Br R436674 [1,0,0,0,0,0|3,0,0]=4 3 B13R1.643 COC1=CC(=CC=C1)/C=N/C(C)C PH000589 [1,0,0,0,0,0|2,0,1]=4 4 B13R1.643 CSC1=CC(=CC=C1)/C=C/C(=O)O T285293 [1,0,0,0,0,0|1,1,0]=3 5 B15R1.4038 COC1=C(C=CC(=C1)/C=C(\C)/[N+](=O)[O-])O R174149 [0,1,0,0,0,0|2,0,0]=3 6 B15R1.12854 COC1=C(C=C(C=C1)/C=C/C(=O)N)OC PH004133 [0,1,0,0,0,0|1,0,0]=2 7 B15R1.12854 COC1=C(C=C(C=C1)C#CC(=O)O)OC S291773 [0,1,0,0,0,0|1,0,2]=4 8 B15R1.12854 COC1=C(C=C(C=C1)CCC(=O)N)OC T153753 [0,1,0,0,0,0|1,0,2]=4 9 B15R1.12854 COC1=CC=C(C=C1OC)/C=C/C(=O)C S594512 [0,1,0,0,0,0|0,0,0]=1 10 B15R1.12854 COC1=CC=C(C=C1OC)/C=C/[N+](=O)[O-] S752215 [0,1,0,0,0,0|2,0,0]=3 11 B15R1.12854 COC1=CC=C(C=C1OC)CNC(=O)N PH003538 [0,1,0,0,0,0|2,0,1]=4 12 B15R1.12854 COC1=CC=C(C=C1OC)COC(=O)C PH003713 [0,1,0,0,0,0|1,0,1]=3 13 B15R1.12854 COC1=CC=C(C=C1OC)SCC(=O)O PH011473 [0,1,0,0,0,0|2,0,1]=4 14 B15R2.7688 CC(=O)/C=C/C1=CC=C2CCCC2=C1 R615064 [0,0,0,1,0,0|2,0,0]=3 15 B15R2.7688 CC(=O)CCC1=CC2=C(C=C1)OCO2 R434167 [0,0,0,1,0,0|0,0,2]=3 16 B15R2.7688 CC(=O)CCC1=CC=C2OCOC2=C1 S114162 [0,0,0,1,0,0|0,0,2]=3 17 B15R2.7688 CC(C)/N=C/C1=CC2=C(C=C1)OCO2 PH000590 [0,0,0,1,0,0|2,0,1]=4 18 B15R2.7688 NC(=O)CCC1=CC2=C(C=C1)OCO2 T153737 [0,0,0,1,0,0|1,0,2]=4 19 B15R2.7688 O=C(O)C=CC1=CC2=C(C=C1)CCC2 S434043 [0,0,0,1,0,0|3,0,0]=4 20 B15R2.7688 O=[N+]([O-])/C=C/C1=CC=C2OCOC2=C1 R173827 [0,0,0,1,0,0|2,0,0]=3 21 B15R2.7688 O=[N+]([O-])/C=C/C1=CC=C2OCOC2=C1 S352918 [0,0,0,1,0,0|2,0,0]=3 22 B13R1.52 CCC1=C(C=CC(=C1)NC(=O)C)Br S751863 [0,0,0,0,1,0|3,0,0]=4 23 B13R1.52 COC1=C(C=CC(=C1)NC(=O)C)N R871605 [0,0,0,0,1,0|2,0,0]=3 24 B13R1.52 COC1=CC(=CC=C1F)CC(=O)C PH014745 [0,0,0,0,1,0|1,0,1]=3 25 B13R1.52 COC1=CC(=CC=C1F)CC(=O)O CDS002884 [0,0,0,0,1,0|2,0,1]=4 26 B15R1.4030 COC1=C(C=CC(=C1)/C=N/NC(=O)C)O S903280 [0,0,0,0,0,1|1,0,0]=2 27 B15R1.4030 COC1=C(C=CC(=C1)/C=N/NC(=O)N)O S332283 [0,0,0,0,0,1|2,0,0]=3 28 B12R1.21 CC(=CCC1=CC=C(C=C1)O)C S369632 [2,0,0,0,0,0|1,0,1]=4 29 B12R1.21 CC(=O)/C=C/C1=CC=C(C=C1)Br TMT00515 [2,0,0,0,0,0|1,0,0]=3 30 B12R1.21 CC(=O)/C=C/C1=CC=C(C=C1)F CDS016057 [2,0,0,0,0,0|1,0,0]=3 31 B12R1.21 CC(=O)C=CC1=CC=C(C=C1)O S350656 [2,0,0,0,0,0|0,0,0]=2 32 B12R1.21 CC1=CC=C(C=C1)/C=C/C(=O)N R640662 [2,0,0,0,0,0|2,0,0]=4 33 B12R1.21 NC(=O)/C=C/C1=CC=C(C=C1)Cl PH010888 [2,0,0,0,0,0|2,0,0]=4 34 B12R1.21 NC1=CC=C(C=C1)/C=C/C(=O)O CDS000175 [2,0,0,0,0,0|2,0,0]=4 35 B12R1.226 O=[N+]([O-])/C=C\C1=CC(=CC=C1)O S914215 [2,0,0,0,0,0|2,0,0]=4 36 B12R1.286 COC1=CC(=CC=C1O)C=NO BOG00281 [2,0,0,0,0,0|1,0,1]=4 37 B12R1.286 COC1=CC(=CC=C1O)C=NO S539570 [2,0,0,0,0,0|1,0,1]=4 38 B12R1.382 COC1=CC=CC(=C1)/C=C/C#N PH011241 [2,0,0,0,0,0|1,0,1]=4 39 B14R0.249 COC(=O)/C=C/C=C/C=C(\C)/C(=O)OC S882119 [0,1,1,0,0,0|2,0,0]=4 40 B14R1.685 CC(=O)CC(=O)C1=CC(=C(C=C1)C)C PH011723 [1,1,0,0,0,0|1,0,1]=4 41 B14R1.3653 COC1=C(C=C(C=C1)/C=C/C(=O)O)C L134597 [1,1,0,0,0,0|1,0,0]=3 42 B14R1.15552 CC(=O)CCC1=CC(=C(C(=C1)C)O)C S290920 [1,1,0,0,0,0|0,0,2]=4 43 B14R1.626 CCOC(=O)C1=CC(=C(C=C1)O)OC S459267 [1,1,0,0,0,0|1,0,1]=4 44 B14R1.3405 COC(=O)CC1=CC=C(C(=C1)OC)O PH003466 [1,1,0,0,0,0|1,0,1]=4 45 B14R1.7499 CO/N=C\C1=CC(=C(C(=C1)OC)O)Br L170275 [1,1,0,0,0,0|2,0,0]=4 46 B14R1.75 COC1=CC=CC(=C1)/C=C(\C)/[N+](=O)[O-] PH014784 [1,1,0,0,0,0|2,0,0]=4 47 B14R1.77 COC(=O)/C=C/C1=CC(=CN=C1)OC ADE000530 [1,1,0,0,0,0|1,0,0]=3 48 B14R1.77 COC1=CC=CC(=C1)CNC(=O)CCl TMT00615 [1,1,0,0,0,0|1,0,1]=4 49 B14R1.81 COC1=CC=CC(=C1Cl)/C=C/C(=O)O T113638 [1,1,0,0,0,0|1,0,0]=3 50 B14R1.6355 CC(=O)/C=C/C1=CC=CC(=C1)[N+](=O)[O-] R629596 [1,1,0,0,0,0|2,0,0]=4 51 B14R1.6355 CC(=O)/C=C/C1=CC=CC(=C1)[N+](=O)[O-] S489867 [1,1,0,0,0,0|2,0,0]=4 52 B14R1.705 CC(=O)OC1=CC=C(C(=C1)C(=O)C)O IDF00012 [0,1,0,0,1,0|2,0,0]=4 53 B14R1.3651 COC1=C(C=C(C=C1)NC(=O)C)OC S568880 [0,1,0,0,1,0|1,0,0]=3 54 B14R1.3651 COC1=CC=C(C=C1OC)CC(=O)N CDS011402 [0,1,0,0,1,0|1,0,1]=4 55 B16R1.4275 COC1=C(C=C(C=C1)/C=N/NC(=O)N)OC R620270 [0,1,0,0,0,1|2,0,0]=4 56 B16R1.4275 COC1=C(C=C(C=C1)CCNC(=O)C)OC S118176 [0,1,0,0,0,1|0,0,2]=4 57 B16R1.4275 COC1=C(C=C(C=C1)CCNC(=O)C)OC S137006 [0,1,0,0,0,1|0,0,2]=4 58 B16R1.4708 COC(=O)N/N=C/C1=CC(=C(C=C1)O)OC S903809 [0,1,0,0,0,1|1,0,0]=3 59 B16R1.12733 CCOC1=CC(=CC=C1O)/C=N/NC(=O)N L392219 [0,1,0,0,0,1|2,0,0]=4 60 B16R1.414 COC1=C(C(=CC(=C1)/C=C/C(=O)O)I)OC R539007 [0,2,0,0,0,0|1,0,0]=3 61 B16R1.414 COC1=CC(=CC(=C1OC)Br)/C=C/C(=O)O R538957 [0,2,0,0,0,0|1,0,0]=3 62 B16R1.20040 COC1=C(C=C(C(=C1)Br)/C=C/C(=O)O)OC S921734 [0,2,0,0,0,0|1,0,0]=3 63 B16R1.4273 COC1=C(C=C(C=C1)C(=O)CC(=O)C)OC PH010789 [0,2,0,0,0,0|0,0,1]=3 64 B16R1.4274 COC1=CC=C(C=C1OC)/C=C(/C)\[N+](=O)[O-] S346535 [0,2,0,0,0,0|2,0,0]=4 65 B16R1.4274 COC1=CC=C(C=C1OC)/C=C(\S)/C(=O)O S756563 [0,2,0,0,0,0|1,0,0]=3 66 B16R1.4276 CCC(=O)NCC1=CC(=C(C=C1)OC)OC S118168 [0,2,0,0,0,0|1,0,1]=4 67 B16R1.4276 COC(=O)/C=C/C1=CC(=C(N=C1)OC)OC ADE000642 [0,2,0,0,0,0|1,0,0]=3 68 B16R1.4276 COC(=O)/C=C/C1=NC(=C(C=C1)OC)OC ADE000557 [0,2,0,0,0,0|1,0,0]=3 69 B16R1.4276 COC1=C(C=C(C=C1)CNC(=O)CCl)OC R468193 [0,2,0,0,0,0|1,0,1]=4 70 B16R1.20127 COC1=CC=C(C(=C1OC)Cl)/C=C/C(=O)O PH011341 [0,2,0,0,0,0|1,0,0]=3 71 B16R1.9381 CCOC1=CC=C(C=C1OC)/C=C/[N+](=O)[O-] S12034 [0,2,0,0,0,0|2,0,0]=4 72 B16R1.9381 CCOC1=CC=C(C=C1OC)C=CC(=O)O S447854 [0,2,0,0,0,0|1,0,0]=3 73 B14R1.563 COC1=CC(=CC(=C1O)C(=O)O)C=O CDS016396 [0,0,1,1,0,0|2,0,0]=4 74 B14R2.4513 CC1=CC=C2C=CC(=C(C2=N1)C)Br BBO000612 [1,0,0,1,0,0|2,0,0]=4 75 B14R2.8239 CC1=NC2=CC(=C(C=C2C=C1)C)C BBO000059 [1,0,0,1,0,0|2,0,0]=4 76 B14R2.8239 O=C1C=CC2=C(O1)C=C(C(=C2)Cl)O IDF00014 [1,0,0,1,0,0|2,0,0]=4 77 B14R2.991 CO/N=C/C1=CC=C2OCOC2=C1 PH009274 [1,0,0,1,0,0|2,0,0]=4 78 B14R2.1416 COC1=CC2=C(C=C1O)C(=O)CC2 PH009886 [1,0,0,1,0,0|0,0,2]=4 79 B14R2.2332 COC1=CC=C2N=C(C=CC2=C1)Cl BBO000233 [1,0,0,1,0,0|2,0,0]=4 80 B14R2.11684 COC1=C2OC(=O)C=CC2=CC=C1 IDF00005 [1,0,0,1,0,0|1,0,0]=3 81 B14R2.11684 COC1=CC=CC2=C1N=C(C=C2)C S770345 [1,0,0,1,0,0|1,0,0]=3 82 B14R2.11684 COC1=CC=CC2=CC=C(N=C12)Cl CDS009012 [1,0,0,1,0,0|2,0,0]=4 83 B14R2.1008 CC(=O)NC1=CC2=C(C=C1)OCO2 S55353 [0,0,0,1,1,0|1,0,0]=3 84 B14R2.1008 CC(=S)NC1=CC2=C(C=C1)OCO2 S170100 [0,0,0,1,1,0|1,1,0]=4 85 B14R2.1008 NC(=O)NC1=CC=C2OCOC2=C1 S732141 [0,0,0,1,1,0|2,0,0]=4 86 B16R2.27160 NC(=O)N/N=C/C1=CC2=C(C=C1)OCO2 R620750 [0,0,0,1,0,1|2,0,0]=4 87 B16R2.27160 O=C(O)/C=C/CC1=CC2=C(C=C1)OCO2 PH008205 [0,0,0,1,0,1|1,0,0]=3 88 B16R2.477 O=C(O)/C=C/C1=CC2=C(C=C1)OCCO2 OTV000241 [0,1,0,1,0,0|1,0,0]=3 89 B16R2.3954 O=C(O)/C=C/C1=CC2=C(C=C1Br)OCO2 R258407 [0,1,0,1,0,0|1,0,0]=3 90 B16R2.6257 C/C(=C\C1=CC2=C(C=C1)OCO2)/[N+](=O)[O-] R174157 [0,1,0,1,0,0|2,0,0]=4 91 B16R2.6257 O=C(O)C(=O)CC1=CC2=C(C=C1)OCO2 T153710 [0,1,0,1,0,0|1,0,1]=4 92 B16R2.1461 COC1=CC2=C(C=C1OC)CC(=O)OC2 T310131 [0,1,0,1,0,0|1,0,1]=4 93 B12R1.19 CC(=O)NC1=CC(=C(C=C1)Cl)C S752061 [1,0,0,0,1,0|2,0,0]=4 94 B12R1.19 CC(=O)NC1=CC(=C(C=C1)I)C L168084 [1,0,0,0,1,0|2,0,0]=4 95 B12R1.19 CC(=O)NC1=CC=C(C(=C1)C)N CBR02022 [1,0,0,0,1,0|2,0,0]=4 96 B12R1.19 CC(=O)OC1=CC(=C(C=C1)C)C S240591 [1,0,0,0,1,0|2,0,0]=4 97 B12R1.870 CC(=O)/C=C/C1=C(C(=CN1)C)C L166367 [1,0,0,0,1,0|2,0,0]=4 98 B12R1.438 CCC1=CC(=CC=C1)NC(=O)C PH007204 [1,0,0,0,1,0|2,0,0]=4 99 B12R1.438 COC1=CC(=CC=C1)CC(=O)N PH011680 [1,0,0,0,1,0|1,0,1]=4 100 B12R1.438 COC1=CC(=CC=C1)NC(=O)N S576743 [1,0,0,0,1,0|2,0,0]=4 101 B12R1.438 COC1=CC(=CC=C1)NC(=S)C PH008496 [1,0,0,0,1,0|1,1,0]=4 102 B12R1.438 COC1=CC=CC(=C1)NC(=O)C S312428 [1,0,0,0,1,0|1,0,0]=3 103 B12R1.438 COC1=CC=CC(=C1)NC(=O)C S389684 [1,0,0,0,1,0|1,0,0]=3 104 B12R1.438 COC1=CC=CC(=C1)OC(=O)C S561207 [1,0,0,0,1,0|1,0,0]=3 105 B12R1.438 CSC1=CC=CC(=C1)NC(=O)C S545570 [1,0,0,0,1,0|1,1,0]=4 106 B12R1.56 COC1=C(C=CC(=C1)C(=S)N)O VBP00049 [0,0,0,0,2,0|1,1,0]=4 107 B12R1.56 COC1=C(N=CC(=C1)C(=O)O)O ADE000652 [0,0,0,0,2,0|2,0,0]=4 108 B12R1.56 COC1=CC(=CC=C1Br)C(=O)O CDS005772 [0,0,0,0,2,0|2,0,0]=4 109 B12R1.56 COC1=CC(=CC=C1Cl)C(=O)O ANV00031 [0,0,0,0,2,0|2,0,0]=4 110 B14R1.76 COC1=CC(=CC=C1)/C=N/NC(=O)C R706817 [1,0,0,0,0,1|1,0,0]=3 111 B14R1.76 COC1=CC=CC(=C1)/C=N/NC(=O)N R709816 [1,0,0,0,0,1|2,0,0]=4