0 B13R2.328 CC1=CC(=O)C2=C(C=CC=C2)N1 D82318 [0,0,0,0,0,0|4,0,0]=4 1 B13R2.328 CC1=CC(=O)C2=C(C=CC=C2)O1 D80480 [0,0,0,0,0,0|3,0,0]=3 2 B13R2.328 CC1=CC(O)=NC2=CC=CC=C12 O11270 [0,0,0,0,0,0|4,0,0]=4 3 B13R2.328 CC1=NC2=C(C=CC=C2)C(=O)N1 F51890 [0,0,0,0,0,0|4,0,0]=4 4 B13R2.328 NC1=NC2=C(C=CC=C2)C(=O)N1 71357 [0,0,0,0,0,0|4,0,0]=4 5 B13R2.328 O=C1C=C(O)C2=C(C=CC=C2)O1 D71127 [0,0,0,0,0,0|2,0,2]=4 6 B13R2.328 O=C1C=C(O)SC2=C1C=CC=C2 D91049 [0,0,0,0,0,0|2,1,0]=3 7 B13R2.328 O=C1CC(=O)C2=C(C=CC=C2)N1 O12067 [0,0,0,0,0,0|3,0,1]=4 8 B13R2.328 O=C1CC2=C(C=CC=C2)C(=O)O1 F21267 [0,0,0,0,0,0|2,0,1]=3 9 B13R2.328 O=C1NC(=O)C2=C(C=CC=C2)N1 78760 [0,0,0,0,0,0|3,0,1]=4 10 B13R2.328 O=C1NC(=O)C2=C(C=CC=C2)O1 FD10735 [0,0,0,0,0,0|2,0,1]=3 11 B13R2.328 O=C1NC(Br)=CC2=C1C=CC=C2 D84124 [0,0,0,0,0,0|4,0,0]=4 12 B13R2.328 O=C1NC(S)=NC2=C1C=CC=C2 F13443 [0,0,0,0,0,0|3,1,0]=4 13 B13R2.328 O=C1NC2=C(C=CC=C2)C(=O)O1 S12335 [0,0,0,0,0,0|2,0,1]=3 14 B13R2.328 O=C1OP(Cl)OC2=C1C=CC=C2 D89370 [0,0,0,0,0,0|2,0,0]=2 15 B13R2.328 OC1=CC(O)=NC2=CC=CC=C12 78980 [0,0,0,0,0,0|3,0,1]=4 16 B13R2.328 OC1=CC2=CC=CC=C2C(Br)=C1 N11764 [0,0,0,0,0,0|4,0,0]=4 17 B13R2.328 OC1=CC2=CC=CC=C2C(O)=C1 S10388 [0,0,0,0,0,0|3,0,1]=4 18 B12R2.24 O=C1C=CC2=C(C=CC=C2)O1 D81844 [1,0,0,0,0,0|2,0,1]=4 19 B12R2.24 OC1=CC2=CC=CC=C2C=C1 D86186 [1,0,0,0,0,0|3,0,0]=4 20 B12R2.24 OC1=CC2=CC=CC=C2C=N1 28407 [1,0,0,0,0,0|3,0,0]=4 21 B12R2.24 OC1=NC2=CC=CC=C2C=C1 70352 [1,0,0,0,0,0|3,0,0]=4 22 B12R2.1081 O=C1C=CNC2=C1C=CC=C2 AB4075 [1,0,0,0,0,0|3,0,0]=4 23 B12R2.1081 O=C1C=COC2=C1C=CC=C2 H10070 [1,0,0,0,0,0|2,0,0]=3 24 B12R2.1081 O=C1C=NNC2=C1C=CC=C2 24956 [1,0,0,0,0,0|3,0,0]=4 25 B12R2.1081 O=C1CCCC2=C1C=CC=C2 P16483 [1,0,0,0,0,0|3,0,0]=4 26 B12R2.1081 O=C1CCNC2=C1C=CC=C2 23896 [1,0,0,0,0,0|3,0,0]=4 27 B12R2.1081 O=C1CCNC2=C1C=CC=C2 SC3441 [1,0,0,0,0,0|3,0,0]=4 28 B12R2.1081 O=C1CCOC2=C1C=CC=C2 30320 [1,0,0,0,0,0|2,0,0]=3 29 B12R2.1081 O=C1CCSC2=C1C=CC=C2 F31314 [1,0,0,0,0,0|2,1,0]=4 30 B12R2.1081 O=C1COCC2=C1C=CC=C2 25671 [1,0,0,0,0,0|3,0,0]=4 31 B12R2.1081 O=C1CSCC2=C1C=CC=C2 D73303 [1,0,0,0,0,0|3,0,0]=4 32 B12R2.1081 O=C1NC=CC2=C1C=CC=C2 AB1219 [1,0,0,0,0,0|3,0,0]=4 33 B12R2.1081 O=C1NC=NC2=C1C=CC=C2 37898 [1,0,0,0,0,0|3,0,0]=4 34 B12R2.1081 O=C1NCCC2=C1C=CC=C2 25054 [1,0,0,0,0,0|3,0,0]=4 35 B12R2.1081 O=C1NN=CC2=C1C=CC=C2 20031 [1,0,0,0,0,0|3,0,0]=4 36 B12R2.1081 O=C1NN=NC2=C1C=CC=C2 F10403 [1,0,0,0,0,0|3,0,0]=4 37 B12R2.1081 O=C1OCCC2=C1C=CC=C2 23770 [1,0,0,0,0,0|2,0,0]=3 38 B14R2.7724 CN1C(=O)OC(=O)C2=C1C=CC=C2 F12822 [0,1,0,0,0,0|2,0,1]=4 39 B14R2.7724 O=C1C=C(O)C(=O)C2=C1C=CC=C2 F17705 [0,1,0,0,0,0|3,0,0]=4 40 B14R2.8045 CC1=CC=CC2=C1NC(=O)OC2=O 59401 [0,1,0,0,0,0|2,0,1]=4 41 B14R2.8045 O=C1NC2=C(Br)C=CC=C2C(=O)O1 66923 [0,1,0,0,0,0|2,0,1]=4 42 B14R2.8235 CC1=CC2=C(C=C1)NC(=O)OC2=O 59403 [0,1,0,0,0,0|2,0,1]=4 43 B14R2.8235 C[C@H]1CC(=O)C2=C(C=CC(F)=C2)O1 D90653 [0,1,0,0,0,0|3,0,0]=4 44 B14R2.8235 O=C1NC(=O)C2=C(C=CC(Br)=C2)O1 D93040 [0,1,0,0,0,0|2,0,1]=4 45 B14R2.8235 O=C1NC2=C(C=C(Br)C=C2)C(=O)O1 66925 [0,1,0,0,0,0|2,0,1]=4 46 B14R2.8235 O=C1NC2=C(C=C(Cl)C=C2)C(=O)O1 68188 [0,1,0,0,0,0|2,0,1]=4 47 B14R2.8235 O=C1NC2=C(C=C(F)C=C2)C(=O)O1 24362 [0,1,0,0,0,0|2,0,1]=4 48 B14R2.8235 O=C1NC2=C(C=C(I)C=C2)C(=O)O1 71595 [0,1,0,0,0,0|2,0,1]=4 49 B14R2.8235 O=C1NC2=C(C=C(O)C=C2)C(=O)O1 68774 [0,1,0,0,0,0|2,0,1]=4 50 B14R2.28480 O=C1NC2=CC=CC(Cl)=C2C(=O)O1 71807 [0,1,0,0,0,0|2,0,1]=4 51 B14R2.28480 O=C1NC2=CC=CC(F)=C2C(=O)O1 78666 [0,1,0,0,0,0|2,0,1]=4 52 B14R2.29365 CC1=CC2=C(C=C1)C(=O)OC(=O)N2 59402 [0,1,0,0,0,0|2,0,1]=4 53 B14R2.29365 NC1=CC2=C(C=C1)C(=O)OC(=O)N2 56053 [0,1,0,0,0,0|2,0,1]=4 54 B14R2.29365 O=C1NC2=C(C=CC(Br)=C2)C(=O)O1 BL000123 [0,1,0,0,0,0|2,0,1]=4 55 B14R2.29365 O=C1NC2=C(C=CC(Cl)=C2)C(=O)O1 68187 [0,1,0,0,0,0|2,0,1]=4 56 B14R2.29365 O=C1NC2=C(C=CC(F)=C2)C(=O)O1 46556 [0,1,0,0,0,0|2,0,1]=4 57 B14R2.29496 CC1(C)CC(=O)C2=C(C=CC=C2)O1 60203 [0,1,0,0,0,0|3,0,0]=4 58 B14R2.29496 CC1(C)NC(=O)C2=C(C=CC=C2)O1 71248 [0,1,0,0,0,0|3,0,0]=4 59 B12R1.75 CC(C)OC1=C(C=O)C=CC=C1 71310 [0,0,1,0,0,0|3,0,0]=4 60 B12R1.75 O=CC1=C(OC(F)F)C=CC=C1 CL8276 [0,0,1,0,0,0|3,0,0]=4 61 B12R1.107 CC(C)OC(=O)C1=CC=CC=C1 D88597 [0,0,1,0,0,0|3,0,0]=4 62 B12R1.283 CCOC1=C(C(=O)Cl)C=CC=C1 H11258 [0,0,1,0,0,0|3,0,0]=4 63 B12R1.283 CCOC1=C(C(=O)O)C=CC=C1 D70509 [0,0,1,0,0,0|2,0,0]=3 64 B12R1.283 CCOC1=C(C(=O)O)C=CC=N1 F10384 [0,0,1,0,0,0|3,0,0]=4 65 B12R1.283 CCOC1=C(C(N)=O)C=CC=C1 D70657 [0,0,1,0,0,0|3,0,0]=4 66 B12R1.283 CCOC1=CC=CN=C1C(=O)O F21007 [0,0,1,0,0,0|3,0,0]=4 67 B12R1.283 CCSC1=C(C(=O)O)C=CC=C1 AT22922 [0,0,1,0,0,0|2,1,0]=4 68 B12R1.283 COCC1=C(C(=O)O)C=CC=C1 Y10937 [0,0,1,0,0,0|3,0,0]=4 69 B12R1.308 CCCC(=O)C1=C(O)C=CC=C1 D86507 [0,0,1,0,0,0|3,0,0]=4 70 B12R1.308 CCNC(=O)C1=C(O)C=CC=C1 71322 [0,0,1,0,0,0|3,0,0]=4 71 B12R1.308 CCOC(=O)C1=C(Br)C=CC=C1 28538 [0,0,1,0,0,0|3,0,0]=4 72 B12R1.308 CCOC(=O)C1=C(C)C=CC=C1 76536 [0,0,1,0,0,0|3,0,0]=4 73 B12R1.308 CCOC(=O)C1=C(Cl)C=CC=C1 AC8527 [0,0,1,0,0,0|3,0,0]=4 74 B12R1.308 CCOC(=O)C1=C(F)C=CC=C1 AC7853 [0,0,1,0,0,0|3,0,0]=4 75 B12R1.308 CCOC(=O)C1=C(I)C=CC=C1 D70261 [0,0,1,0,0,0|3,0,0]=4 76 B12R1.308 CCOC(=O)C1=C(N)C=CC=C1 H11236 [0,0,1,0,0,0|3,0,0]=4 77 B12R1.308 CCOC(=O)C1=C(O)C=CC=C1 D70269 [0,0,1,0,0,0|2,0,0]=3 78 B12R1.308 CCOC(=O)C1=NC=CC=C1O D70625 [0,0,1,0,0,0|3,0,0]=4 79 B12R1.308 O=C(CCCl)C1=C(O)C=CC=C1 AC5995 [0,0,1,0,0,0|3,0,0]=4 80 B12R2.18 CN1SC2=C(C=CC=C2)C1=O A51204 [0,0,0,0,1,0|2,1,0]=4 81 B12R2.18 C[C@H]1CC2=C(C=CC=C2)C1=O 75581 [0,0,0,0,1,0|3,0,0]=4 82 B12R2.18 O=C1CC2=C(C=CC=C2)C1=O 29193 [0,0,0,0,1,0|2,0,1]=4 83 B12R2.18 O=C1NC2=C(C=CC=C2)C1=O D70304 [0,0,0,0,1,0|2,0,1]=4 84 B12R2.2028 C[C@H]1CC(=O)C2=C1C=CC=C2 H10914 [0,0,0,0,1,0|3,0,0]=4 85 B12R2.2028 O=C1CC(=O)C2=C1C=CC=C2 AC1334 [0,0,0,0,1,0|2,0,1]=4 86 B12R2.2028 O=C1C[C@H](Br)C2=C1C=CC=C2 25105 [0,0,0,0,1,0|3,0,0]=4 87 B12R2.2028 O=C1OC(=O)C2=C1C=CN=C2 P10022 [0,0,0,0,1,0|2,0,1]=4 88 B12R2.2028 O=C1OC(=O)C2=NC=CC=C12 CK2611 [0,0,0,0,1,0|2,0,1]=4 89 B12R2.2028 O=C1O[C@@H](Br)C2=C1C=CC=C2 AC7915 [0,0,0,0,1,0|2,0,0]=3 90 B12R2.2028 O=C1O[C@H](O)C2=C1C=CC=C2 D71106 [0,0,0,0,1,0|1,0,0]=2 91 B12R2.2028 O=C1[N-]C(=O)C2=C1C=CC=C2 AC7863 [0,0,0,0,1,0|2,0,1]=4 92 B11R1.41 CCOC1=C(C=O)C=CC=C1 L10017 [1,0,1,0,0,0|2,0,0]=4 93 B11R1.16 CCOC(=O)C1=CC=CC=C1 20009 [1,0,1,0,0,0|2,0,0]=4 94 B11R1.16 O=C(NCO)C1=CC=CC=C1 D95962 [1,0,1,0,0,0|2,0,0]=4 95 B11R1.16 O=C(OCCl)C1=CC=CC=C1 A51028 [1,0,1,0,0,0|2,0,0]=4 96 B11R1.16 O=C(OCI)C1=CC=CC=C1 W17100 [1,0,1,0,0,0|2,0,0]=4 97 B11R1.16 O=C(\C=N\O)C1=CC=CC=C1 H11300 [1,0,1,0,0,0|2,0,0]=4 98 B11R1.91 OB(O)\C=C\C1=CC=CC=C1 66480 [1,0,1,0,0,0|2,0,0]=4 99 B11R1.53 CCC1=C(C(=O)O)C=CC=C1 78506 [1,0,1,0,0,0|2,0,0]=4 100 B11R1.53 CNC1=C(C(=O)O)C=CC=C1 O10529 [1,0,1,0,0,0|2,0,0]=4 101 B11R1.53 COC1=C(C(=O)Cl)C=CC=C1 39315 [1,0,1,0,0,0|2,0,0]=4 102 B11R1.53 COC1=C(C(=O)O)C=CC=C1 AB2883 [1,0,1,0,0,0|1,0,0]=3 103 B11R1.53 COC1=C(C(=O)O)C=CC=N1 P10071 [1,0,1,0,0,0|2,0,0]=4 104 B11R1.53 COC1=C(C(=O)O)C=CN=C1 64384 [1,0,1,0,0,0|2,0,0]=4 105 B11R1.53 COC1=C(C(=O)O)C=NC=C1 36087 [1,0,1,0,0,0|2,0,0]=4 106 B11R1.53 COC1=C(C(C)=O)C=CC=C1 F17510 [1,0,1,0,0,0|2,0,0]=4 107 B11R1.53 COC1=C(C(N)=O)C=CC=C1 H10635 [1,0,1,0,0,0|2,0,0]=4 108 B11R1.53 COC1=CC=CN=C1C(=O)O 26360 [1,0,1,0,0,0|2,0,0]=4 109 B11R1.53 CSC1=C(C(=O)O)C=CC=C1 FD7329 [1,0,1,0,0,0|1,1,0]=4 110 B11R1.53 N#CC1=C(C(=O)O)C=CC=C1 29038 [1,0,1,0,0,0|2,0,0]=4 111 B11R1.53 NCC1=C(C(=O)O)C=CC=C1 A50519 [1,0,1,0,0,0|2,0,0]=4 112 B11R1.53 NNC1=C(C(=O)O)C=CC=C1 73691 [1,0,1,0,0,0|2,0,0]=4 113 B11R1.53 O=C(O)C1=C(CCl)C=CC=C1 23247 [1,0,1,0,0,0|2,0,0]=4 114 B11R1.53 O=C(O)C1=C(CO)C=CC=C1 AB9435 [1,0,1,0,0,0|1,0,0]=3 115 B11R1.53 O=CC1=C(C(=O)O)C=CC=C1 20035 [1,0,1,0,0,0|1,0,1]=4 116 B11R1.53 O=[IH2]C1=C(C(=O)O)C=CC=C1 D91074 [1,0,1,0,0,0|1,0,1]=4 117 B11R1.222 CCC(=O)C1=C(O)C=CC=C1 AC8486 [1,0,1,0,0,0|2,0,0]=4 118 B11R1.222 CNC(=O)C1=C(O)C=CC=C1 AC1616 [1,0,1,0,0,0|2,0,0]=4 119 B11R1.222 COC(=O)C1=C(Br)C=CC=C1 AC7864 [1,0,1,0,0,0|2,0,0]=4 120 B11R1.222 COC(=O)C1=C(C)C=CC=C1 D70904 [1,0,1,0,0,0|2,0,0]=4 121 B11R1.222 COC(=O)C1=C(Cl)C=CC=C1 CK2319 [1,0,1,0,0,0|2,0,0]=4 122 B11R1.222 COC(=O)C1=C(F)C=CC=C1 AB9707 [1,0,1,0,0,0|2,0,0]=4 123 B11R1.222 COC(=O)C1=C(I)C=CC=C1 D70600 [1,0,1,0,0,0|2,0,0]=4 124 B11R1.222 COC(=O)C1=C(N)C=CC=C1 D77860 [1,0,1,0,0,0|2,0,0]=4 125 B11R1.222 COC(=O)C1=C(O)C=CC=C1 D70335 [1,0,1,0,0,0|1,0,0]=3 126 B11R1.222 COC(=O)C1=C(O)C=NC=C1 CL0150 [1,0,1,0,0,0|2,0,0]=4 127 B11R1.222 COC(=O)C1=C(O)N=CC=C1 20799 [1,0,1,0,0,0|2,0,0]=4 128 B11R1.222 COC(=O)C1=C(S)C=CC=C1 A10543 [1,0,1,0,0,0|1,1,0]=4 129 B11R1.222 COC(=O)C1=NC=CC=C1O 24613 [1,0,1,0,0,0|2,0,0]=4 130 B11R1.222 NNC(=O)C1=C(O)C=CC=C1 78528 [1,0,1,0,0,0|2,0,0]=4 131 B11R1.222 N\C(=N/O)C1=C(O)C=CC=C1 60214 [1,0,1,0,0,0|2,0,0]=4 132 B11R1.222 O=C(CBr)C1=C(O)C=CC=C1 F20960 [1,0,1,0,0,0|2,0,0]=4 133 B11R1.222 O=C(NO)C1=C(O)C=CC=C1 O11999 [1,0,1,0,0,0|1,0,0]=3 134 B13R1.382 CCOC1=C(C(=O)OC)C=CC=C1 D91532 [0,1,1,0,0,0|2,0,0]=4 135 B13R1.572 CCCOC1=C(C(=O)O)C=CC=C1 29214 [0,1,1,0,0,0|2,0,0]=4 136 B13R1.12 CCOC(=O)C1=C(O)C(O)=CC=C1 88223 [0,1,1,0,0,0|2,0,0]=4 137 B13R1.464 CCOC(=O)C1=C(OC)C=CC=C1 H10032 [0,1,1,0,0,0|2,0,0]=4 138 B13R1.674 CCCOC(=O)C1=C(O)C=CC=C1 D85924 [0,1,1,0,0,0|2,0,0]=4 139 B13R1.4453 CCOC(=O)C1=C(Cl)C=CC=C1O 25917 [0,1,1,0,0,0|2,0,0]=4 140 B13R1.4453 CCOC(=O)C1=C(O)C=CC=C1C 75556 [0,1,1,0,0,0|2,0,0]=4 141 B13R2.342 CC1=CC=CC2=C1OCCC2=O 29530 [1,1,0,0,0,0|2,0,0]=4 142 B13R2.342 O=C1CCOC2=C(Cl)C=CC=C12 I11466 [1,1,0,0,0,0|2,0,0]=4 143 B13R2.342 O=C1CCOC2=C(F)C=CC=C12 61220 [1,1,0,0,0,0|2,0,0]=4 144 B13R2.45 O=C1C2=C(C=CC=C2)C\C1=N\O 67544 [0,1,0,0,1,0|2,0,0]=4 145 B13R2.243 CC1(C)OC2=C(C=CC=C2)C1=O 51925 [0,1,0,0,1,0|2,0,0]=4 146 B13R2.3085 O=C1C2=C(C=CC=C2)C(=O)N1O D77696 [0,1,0,0,1,0|2,0,0]=4 147 B13R2.2931 CO[C@H]1OC(=O)C2=C1C=CC=C2 AC7707 [0,1,0,0,1,0|1,0,0]=3 148 B13R2.4857 CC1=C2C(=O)OC(=O)C2=CC=C1 35862 [0,1,0,0,1,0|1,0,1]=4 149 B13R2.4857 O=C1OC(=O)C2=C(Br)C=CC=C12 54456 [0,1,0,0,1,0|1,0,1]=4 150 B13R2.4857 O=C1OC(=O)C2=C(Cl)C=CC=C12 29017 [0,1,0,0,1,0|1,0,1]=4 151 B13R2.4857 O=C1OC(=O)C2=C(F)C=CC=C12 FD2087 [0,1,0,0,1,0|1,0,1]=4 152 B13R2.4857 O=C1OC(=O)C2=C(O)C=CC=C12 P15398 [0,1,0,0,1,0|1,0,1]=4 153 B13R2.5187 CC1=CC2=C(C=C1)C(=O)OC2=O O11478 [0,1,0,0,1,0|1,0,1]=4 154 B13R2.5187 O=C1OC(=O)C2=C1C=CC(Br)=C2 P16601 [0,1,0,0,1,0|1,0,1]=4 155 B13R2.5187 O=C1OC(=O)C2=C1C=CC(Cl)=C2 73709 [0,1,0,0,1,0|1,0,1]=4 156 B13R2.5187 O=C1OC(=O)C2=C1C=CC(F)=C2 35857 [0,1,0,0,1,0|1,0,1]=4 157 B13R2.12159 O=C1OI(=O)(O)C2=C1C=CC=C2 62231 [0,1,0,0,1,0|1,0,0]=3 158 B13R2.12159 O=C1OS(=O)(=O)C2=C1C=CC=C2 D73341 [0,1,0,0,1,0|1,0,1]=4 159 B15R2.14951 O=C(O)C1=CC(=O)C2=C(C=CC=C2)O1 S10677 [0,2,0,0,0,0|2,0,0]=4 160 B13R2.5569 O=C(Cl)C1=C2OCOC2=CC=C1 25786 [0,0,1,1,0,0|2,0,0]=4 161 B13R2.5569 O=C(O)C1=C2OCCC2=CC=C1 30244 [0,0,1,1,0,0|2,0,0]=4 162 B13R2.5569 O=C(O)C1=C2OCOC2=CC=C1 30254 [0,0,1,1,0,0|1,0,0]=3 163 B11R1.36 C=C(B(O)O)C1=CC=CC=C1 S12165 [0,0,1,0,1,0|2,0,0]=4 164 B11R1.36 O=C(C1=CC=CC=C1)C(O)O D70386 [0,0,1,0,1,0|1,0,0]=3 165 B11R1.36 O=C(O)C(=O)C1=CC=CC=C1 S11007 [0,0,1,0,1,0|1,0,1]=4 166 B11R2.1 OB1OCC2=C1C=CC=C2 R10002 [1,0,0,0,1,0|1,0,1]=4 167 B11R2.10 BrB1OC2=C(C=CC=C2)O1 F14949 [1,0,0,0,1,0|2,0,0]=4 168 B11R2.10 O=C1OC2=C(C=CC=C2)O1 O11687 [1,0,0,0,1,0|1,0,1]=4 169 B13R1.90 O=CC1=C(OCC(=O)O)C=CC=C1 C11409 [0,0,1,0,0,1|1,0,1]=4