0 B13R2.435 B(c1cc2ccccc2o1)(O)O B23676 [0,0,0,0,0,0|2,0,1]=3 1 B13R2.435 B(c1cc2ccccc2s1)(O)O B22835 [0,0,0,0,0,0|2,0,1]=3 2 B13R2.435 CC(=O)c1cc2ccccc2o1 L13771 [0,0,0,0,0,0|2,0,0]=2 3 B13R2.435 CC(=O)c1cc2ccccc2s1 B21173 [0,0,0,0,0,0|2,0,0]=2 4 B13R2.435 CC(C)c1[nH]c2ccccc2n1 A11356 [0,0,0,0,0,0|3,0,1]=4 5 B13R2.435 c1cc2c(cc(o2)C(=O)O)nc1 H34400 [0,0,0,0,0,0|2,0,0]=2 6 B13R2.435 c1ccc2c(c1)CC(N2)C(=O)O B25450 [0,0,0,0,0,0|0,0,2]=2 7 B13R2.435 c1ccc2c(c1)C[C@@H](N2)C(=O)O H27626 [0,0,0,0,0,0|0,0,2]=2 8 B13R2.435 c1ccc2c(c1)C[C@H](N2)C(=O)O H27009 [0,0,0,0,0,0|0,0,2]=2 9 B13R2.435 c1ccc2c(c1)cc([nH]2)C(=O)O A18690 [0,0,0,0,0,0|0,0,0]=0 10 B13R2.435 c1ccc2c(c1)cc(o2)C(=O)O A15579 [0,0,0,0,0,0|1,0,0]=1 11 B13R2.435 c1ccc2c(c1)cc(s2)C(=O)Cl L08140 [0,0,0,0,0,0|2,0,0]=2 12 B13R2.435 c1ccc2c(c1)cc(s2)C(=O)N A12292 [0,0,0,0,0,0|2,0,0]=2 13 B13R2.435 c1ccc2c(c1)cc(s2)C(=O)O A12471 [0,0,0,0,0,0|1,0,0]=1 14 B13R2.435 c1ccc2c(c1)nc(s2)C(=O)Cl L19631 [0,0,0,0,0,0|2,0,1]=3 15 B13R2.435 c1ccn2cc(nc2c1)C(=O)O H35025 [0,0,0,0,0,0|1,0,1]=2 16 B12R2.32 CCC1=Cc2ccccc2C1 B23104 [1,0,0,0,0,0|2,0,1]=4 17 B12R2.32 CSc1[nH]c2ccccc2n1 A10686 [1,0,0,0,0,0|3,0,0]=4 18 B12R2.32 c1ccc2c(c1)C[C@H](N2)CO H27711 [1,0,0,0,0,0|0,0,3]=4 19 B12R2.32 c1ccc2c(c1)[nH]c(n2)CCl B25548 [1,0,0,0,0,0|2,0,1]=4 20 B12R2.32 c1ccc2c(c1)[nH]c(n2)CN L07440 [1,0,0,0,0,0|2,0,1]=4 21 B12R2.32 c1ccc2c(c1)cc([nH]2)C#N H66451 [1,0,0,0,0,0|1,0,1]=3 22 B12R2.32 c1ccc2c(c1)cc([nH]2)C=O H54638 [1,0,0,0,0,0|0,0,0]=1 23 B12R2.32 c1ccc2c(c1)cc([nH]2)CN H54281 [1,0,0,0,0,0|1,0,1]=3 24 B12R2.32 c1ccc2c(c1)cc(o2)C=O L02456 [1,0,0,0,0,0|1,0,0]=2 25 B12R2.32 c1ccc2c(c1)cc(s2)C=O L19345 [1,0,0,0,0,0|1,0,0]=2 26 B12R2.32 c1ccc2c(c1)cc(s2)CO H27512 [1,0,0,0,0,0|1,0,1]=3 27 B12R2.32 c1ccc2c(c1)nc(s2)C=O H26122 [1,0,0,0,0,0|1,0,1]=3 28 B12R2.32 c1ccc2c(c1)nc(s2)CO H31631 [1,0,0,0,0,0|1,0,2]=4 29 B14R2.450 B(c1cc2ccccc2n1C)(O)O H53028 [0,1,0,0,0,0|1,0,1]=3 30 B14R2.450 Cc1c2ccccc2oc1C(=O)O B21044 [0,1,0,0,0,0|1,0,0]=2 31 B14R2.450 Cc1c2ccccc2sc1C(=O)C B20967 [0,1,0,0,0,0|2,0,0]=3 32 B14R2.450 Cc1c2ccccc2sc1C(=O)O B24624 [0,1,0,0,0,0|1,0,0]=2 33 B14R2.450 c1ccc2c(c1)c(c(s2)C(=O)Cl)Cl L11745 [0,1,0,0,0,0|2,0,0]=3 34 B14R2.450 c1ccc2c(c1)c(c(s2)C(=O)N)Cl L18898 [0,1,0,0,0,0|2,0,0]=3 35 B14R2.450 c1ccc2c(c1)c(c(s2)C(=O)O)Cl L01257 [0,1,0,0,0,0|1,0,0]=2 36 B14R2.450 c1ccn2c(c1)nc(c2Br)C(=O)O H35479 [0,1,0,0,0,0|1,0,1]=3 37 B14R2.450 c1ccn2c(c1)nc(c2Cl)C(=O)O H33162 [0,1,0,0,0,0|1,0,1]=3 38 B14R2.972 COC(=O)c1cc2c([nH]1)cccn2 H34321 [0,1,0,0,0,0|1,0,0]=2 39 B14R2.972 COC(=O)c1cc2ccccc2[nH]1 H66609 [0,1,0,0,0,0|0,0,0]=1 40 B14R2.972 COC(=O)c1cc2ccccc2s1 A13769 [0,1,0,0,0,0|1,0,0]=2 41 B14R2.972 c1ccc2c(c1)cc(s2)C(=O)NN L11357 [0,1,0,0,0,0|2,0,0]=3 42 B14R2.4529 CC(=O)c1cc2cc(ccc2o1)Br H50593 [0,1,0,0,0,0|2,0,0]=3 43 B14R2.4529 Cc1ccc2c(c1)cc([nH]2)C(=O)O L17145 [0,1,0,0,0,0|0,0,0]=1 44 B14R2.4529 c1cc(cc2c1cc([nH]2)C(=O)O)Br H63799 [0,1,0,0,0,0|0,0,0]=1 45 B14R2.4529 c1cc(cc2c1cc([nH]2)C(=O)O)Cl H66864 [0,1,0,0,0,0|0,0,0]=1 46 B14R2.4529 c1cc(nc2c1[nH]c(c2)C(=O)O)Cl H33628 [0,1,0,0,0,0|1,0,0]=2 47 B14R2.4529 c1cc2c(cc1Br)cc([nH]2)C(=O)O H66396 [0,1,0,0,0,0|0,0,0]=1 48 B14R2.4529 c1cc2c(cc1Cl)[nH]c(n2)C(=O)O H58648 [0,1,0,0,0,0|1,0,0]=2 49 B14R2.4529 c1cc2c(cc1Cl)cc([nH]2)C(=O)O A18626 [0,1,0,0,0,0|0,0,0]=1 50 B14R2.4529 c1cc2c(cc1Cl)cc(o2)C(=O)O H50239 [0,1,0,0,0,0|1,0,0]=2 51 B14R2.4529 c1cc2c(cc1F)cc([nH]2)C(=O)O A12794 [0,1,0,0,0,0|0,0,0]=1 52 B14R2.4529 c1cc2c(cc1F)cc(s2)C(=O)O H33239 [0,1,0,0,0,0|1,0,0]=2 53 B14R2.4529 c1cc2c(cc1O)cc([nH]2)C(=O)O L00786 [0,1,0,0,0,0|0,0,0]=1 54 B14R2.4529 c1cc2nc(cn2cc1Br)C(=O)O H35790 [0,1,0,0,0,0|1,0,1]=3 55 B14R2.4529 c1cc2nc(cn2cc1Cl)C(=O)O H50313 [0,1,0,0,0,0|1,0,1]=3 56 B14R2.4529 c1cn2cc(nc2cc1Br)C(=O)O H35003 [0,1,0,0,0,0|1,0,1]=3 57 B14R2.4529 c1cn2cc(nc2cc1Cl)C(=O)O H35256 [0,1,0,0,0,0|1,0,1]=3 58 B14R2.7969 c1cc2c(cc(s2)C(=O)O)c(c1)Cl H33015 [0,1,0,0,0,0|1,0,0]=2 59 B14R2.7969 c1cc2nc(cn2c(c1)Cl)C(=O)O H35034 [0,1,0,0,0,0|1,0,1]=3 60 B12R1.43 C\C(=C/c1ccccc1)\C(=O)O L00806 [0,0,1,0,0,0|1,0,0]=2 61 B12R1.43 c1cc(cnc1)C[C@@H](C(=O)O)N H63941 [0,0,1,0,0,0|1,0,2]=4 62 B12R1.43 c1cc(cnc1)C[C@H](C(=O)O)N H63132 [0,0,1,0,0,0|1,0,2]=4 63 B12R1.43 c1ccc(cc1)CC(=O)C(=O)[O-] A14027 [0,0,1,0,0,0|1,0,2]=4 64 B12R1.43 c1ccc(cc1)CC(=O)C(=O)[O-] H56767 [0,0,1,0,0,0|1,0,2]=4 65 B12R1.43 c1ccc(cc1)CC(C(=O)O)N A10132 [0,0,1,0,0,0|0,0,2]=3 66 B12R1.43 c1ccc(cc1)CC(C(=O)O)O L09854 [0,0,1,0,0,0|1,0,2]=4 67 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)N)N H62030 [0,0,1,0,0,0|1,0,2]=4 68 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)N)N H65506 [0,0,1,0,0,0|1,0,2]=4 69 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)N A13238 [0,0,1,0,0,0|0,0,2]=3 70 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)O A18203 [0,0,1,0,0,0|1,0,2]=4 71 B12R1.43 c1ccc(cc1)C[C@H](C(=O)N)N H65853 [0,0,1,0,0,0|1,0,2]=4 72 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)N A10572 [0,0,1,0,0,0|0,0,2]=3 73 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)O H35096 [0,0,1,0,0,0|1,0,2]=4 74 B12R1.43 c1ccc(cc1)N[C@H](C(=O)O)Cl H28776 [0,0,1,0,0,0|1,0,1]=3 75 B12R1.43 c1ccnc(c1)C[C@@H](C(=O)O)N H63770 [0,0,1,0,0,0|1,0,2]=4 76 B12R1.43 c1ccnc(c1)C[C@H](C(=O)O)N H63291 [0,0,1,0,0,0|1,0,2]=4 77 B12R1.43 c1cnccc1C[C@@H](C(=O)O)N H63928 [0,0,1,0,0,0|1,0,2]=4 78 B12R1.125 Cc1ccccc1CCC(=O)O H34375 [0,0,1,0,0,0|1,0,2]=4 79 B12R1.125 Cc1ccccc1OCC(=O)O A13076 [0,0,1,0,0,0|1,0,2]=4 80 B12R1.125 Cc1ccccc1\C=C\C(=O)O A14644 [0,0,1,0,0,0|1,0,0]=2 81 B12R1.125 c1cc(c(nc1)Cl)\C=C\C(=O)O H50051 [0,0,1,0,0,0|2,0,0]=3 82 B12R1.125 c1cc(c(nc1)N)\C=C\C(=O)O H50021 [0,0,1,0,0,0|1,0,0]=2 83 B12R1.125 c1ccc(c(c1)CCC(=O)O)Br H33933 [0,0,1,0,0,0|1,0,2]=4 84 B12R1.125 c1ccc(c(c1)CCC(=O)O)Cl L15306 [0,0,1,0,0,0|1,0,2]=4 85 B12R1.125 c1ccc(c(c1)CCC(=O)O)F H34110 [0,0,1,0,0,0|1,0,2]=4 86 B12R1.125 c1ccc(c(c1)CCC(=O)O)O A14195 [0,0,1,0,0,0|1,0,2]=4 87 B12R1.125 c1ccc(c(c1)O)OCC(=O)O L03897 [0,0,1,0,0,0|2,0,1]=4 88 B12R1.125 c1ccc(c(c1)OCC(=O)O)Cl L00926 [0,0,1,0,0,0|2,0,1]=4 89 B12R1.125 c1ccc(c(c1)\C=C\C(=O)Cl)Cl L10521 [0,0,1,0,0,0|2,0,0]=3 90 B12R1.125 c1ccc(c(c1)\C=C\C(=O)O)Br A11381 [0,0,1,0,0,0|1,0,0]=2 91 B12R1.125 c1ccc(c(c1)\C=C\C(=O)O)Cl L01606 [0,0,1,0,0,0|1,0,0]=2 92 B12R1.125 c1ccc(c(c1)\C=C\C(=O)O)F A15303 [0,0,1,0,0,0|1,0,0]=2 93 B12R1.125 c1ccc(c(c1)\C=C\C(=O)O)O A11740 [0,0,1,0,0,0|1,0,0]=2 94 B12R1.125 c1ccc(c(c1)\C=C\[N+](=O)[O-])Cl A14882 [0,0,1,0,0,0|2,0,1]=4 95 B12R1.125 c1cncc(c1N)\C=C\C(=O)O H51665 [0,0,1,0,0,0|1,0,0]=2 96 B12R2.252 c1csc2c1[nH]c(c2)C(=O)O H58200 [0,0,0,0,1,0|1,0,0]=2 97 B14R2.768 c1ccc2c(c1)CC(C2)CC(=O)O L10700 [0,0,0,0,0,1|1,0,2]=4 98 B14R2.781 B(c1cc2ccccc2nc1)(O)O H53021 [0,0,0,0,0,1|1,0,2]=4 99 B14R2.781 B(c1cc2ccccc2nc1)(O)O L20088 [0,0,0,0,0,1|1,0,2]=4 100 B14R2.781 B(c1ccc2ccccc2c1)(O)O B24157 [0,0,0,0,0,1|2,0,1]=4 101 B14R2.781 CC(=O)c1cc2ccccc2nc1 H33206 [0,0,0,0,0,1|1,0,1]=3 102 B14R2.781 CC(=O)c1ccc2ccccc2c1 A14793 [0,0,0,0,0,1|2,0,0]=3 103 B14R2.781 CC(=O)c1cnc2ccccc2n1 H26680 [0,0,0,0,0,1|1,0,1]=3 104 B14R2.781 CC(c1ccc2ccccc2c1)O L05108 [0,0,0,0,0,1|2,0,1]=4 105 B14R2.781 c1cc2c(cc1C(=O)O)nccn2 H33157 [0,0,0,0,0,1|3,0,0]=4 106 B14R2.781 c1cc2cc(ccc2nc1)C(=O)O A18223 [0,0,0,0,0,1|2,0,0]=3 107 B14R2.781 c1ccc2c(c1)CC(CO2)C(=O)O H58448 [0,0,0,0,0,1|1,0,2]=4 108 B14R2.781 c1ccc2c(c1)C[C@@H](NC2)C(=O)O H29112 [0,0,0,0,0,1|0,0,2]=3 109 B14R2.781 c1ccc2c(c1)C[C@H](NC2)C(=O)O L14422 [0,0,0,0,0,1|0,0,2]=3 110 B14R2.781 c1ccc2c(c1)OCC(O2)C(=O)O B20661 [0,0,0,0,0,1|1,0,2]=4 111 B14R2.781 c1ccc2c(c1)cc(cn2)C(=O)O L15133 [0,0,0,0,0,1|0,0,1]=2 112 B14R2.781 c1ccc2c(c1)ccc(n2)C(=O)O A10192 [0,0,0,0,0,1|0,0,1]=2 113 B14R2.781 c1ccc2c(c1)ncc(n2)C(=O)O H59780 [0,0,0,0,0,1|0,0,1]=2 114 B14R2.781 c1ccc2cc(ccc2c1)C(=O)Cl A14046 [0,0,0,0,0,1|2,0,0]=3 115 B14R2.781 c1ccc2cc(ccc2c1)C(=O)N L08391 [0,0,0,0,0,1|2,0,0]=3 116 B14R2.781 c1ccc2cc(ccc2c1)C(=O)O L05102 [0,0,0,0,0,1|1,0,0]=2 117 B14R2.781 c1ccc2cc(ccc2c1)C(=O)[O-] 38590 [0,0,0,0,0,1|1,0,1]=3 118 B14R2.781 c1ccc2cc(ccc2c1)C(=O)[O-] 38593 [0,0,0,0,0,1|1,0,1]=3 119 B14R2.781 c1ccc2cc(ccc2c1)C(=O)[O-] 38609 [0,0,0,0,0,1|1,0,1]=3 120 B14R2.781 c1ccc2cc(ccc2c1)C(=O)[O-] 39455 [0,0,0,0,0,1|1,0,1]=3 121 B14R2.781 c1ccc2cc(ccc2c1)C(=O)[O-] 39554 [0,0,0,0,0,1|1,0,1]=3 122 B14R2.781 c1ccc2cc(ccc2c1)C(=O)[O-] 39568 [0,0,0,0,0,1|1,0,1]=3 123 B14R2.781 c1ccc2cc(ccc2c1)C(=O)[O-] 39585 [0,0,0,0,0,1|1,0,1]=3 124 B14R2.781 c1ccc2cc(ccc2c1)C(=O)[O-] 40387 [0,0,0,0,0,1|1,0,1]=3 125 B14R2.781 c1ccc2cc(ccc2c1)C(=O)[O-] 43752 [0,0,0,0,0,1|1,0,1]=3 126 B14R2.781 c1ccc2cc(ccc2c1)C(=S)N H26324 [0,0,0,0,0,1|2,1,0]=4 127 B14R2.781 c1ccc2cnc(cc2c1)C(=O)O A19880 [0,0,0,0,0,1|0,0,1]=2 128 B11R1.40 C\C(=C/c1ccccc1)\C=O A10429 [1,0,1,0,0,0|1,0,0]=3 129 B11R1.40 c1ccc(cc1)C\C(=N\O)\N H58835 [1,0,1,0,0,0|1,0,1]=4 130 B11R1.40 c1ccc(cc1)\C=C(\C=O)/Br A14230 [1,0,1,0,0,0|1,0,0]=3 131 B11R1.91 B(\C=C\c1ccccc1)(O)O H53227 [1,0,1,0,0,0|1,0,1]=4 132 B11R1.91 CC(=O)NNc1ccccc1 A14446 [1,0,1,0,0,0|2,0,0]=4 133 B11R1.91 CC(=O)\C=C\c1ccccc1 A13537 [1,0,1,0,0,0|1,0,0]=3 134 B11R1.91 c1cc(cnc1)\C=C\C(=O)O A14747 [1,0,1,0,0,0|1,0,0]=3 135 B11R1.91 c1ccc(cc1)C#CC(=O)O A15163 [1,0,1,0,0,0|0,0,2]=4 136 B11R1.91 c1ccc(cc1)CCC(=O)O A14908 [1,0,1,0,0,0|0,0,2]=4 137 B11R1.91 c1ccc(cc1)NCC(=O)O A14182 [1,0,1,0,0,0|0,0,1]=3 138 B11R1.91 c1ccc(cc1)NNC(=O)N B22331 [1,0,1,0,0,0|2,0,0]=4 139 B11R1.91 c1ccc(cc1)OCC(=O)O A12541 [1,0,1,0,0,0|1,0,1]=4 140 B11R1.91 c1ccc(cc1)SCC(=O)O B22280 [1,0,1,0,0,0|1,0,1]=4 141 B11R1.91 c1ccc(cc1)\C=C\C(=O)Cl A12016 [1,0,1,0,0,0|1,0,0]=3 142 B11R1.91 c1ccc(cc1)\C=C\C(=O)N A13429 [1,0,1,0,0,0|1,0,0]=3 143 B11R1.91 c1ccc(cc1)\C=C\C(=O)O A13538 [1,0,1,0,0,0|0,0,0]=2 144 B11R1.91 c1ccc(cc1)\C=C\[N+](=O)[O-] L14367 [1,0,1,0,0,0|1,0,1]=4 145 B11R1.91 c1cnccc1\C=C\C(=O)O L13458 [1,0,1,0,0,0|1,0,0]=3 146 B11R2.10 CC1=Cc2ccccc2C1 H26875 [2,0,0,0,0,0|1,0,1]=4 147 B11R2.10 Cc1[nH]c2ccccc2n1 A17290 [2,0,0,0,0,0|1,0,1]=4 148 B11R2.10 Cc1cc2ccccc2[nH]1 A10764 [2,0,0,0,0,0|0,0,1]=3 149 B11R2.10 Cc1cc2ccccc2s1 H32224 [2,0,0,0,0,0|1,0,1]=4 150 B11R2.10 c1cc2c([nH]c(=O)o2)nc1 H66234 [2,0,0,0,0,0|2,0,0]=4 151 B11R2.10 c1ccc2c(c1)CC(=C2)Br B25474 [2,0,0,0,0,0|2,0,0]=4 152 B11R2.10 c1ccc2c(c1)CC(=O)C2 A12574 [2,0,0,0,0,0|1,0,1]=4 153 B11R2.10 c1ccc2c(c1)CC(=O)N2 A18764 [2,0,0,0,0,0|0,0,1]=3 154 B11R2.10 c1ccc2c(c1)CC(=O)O2 A18617 [2,0,0,0,0,0|1,0,1]=4 155 B11R2.10 c1ccc2c(c1)[nH]c(=O)o2 A19378 [2,0,0,0,0,0|1,0,0]=3 156 B11R2.10 c1ccc2c(c1)[nH]c(n2)Br H26183 [2,0,0,0,0,0|2,0,0]=4 157 B11R2.10 c1ccc2c(c1)[nH]c(n2)Cl A12193 [2,0,0,0,0,0|2,0,0]=4 158 B11R2.10 c1ccc2c(c1)[nH]c(n2)N L02066 [2,0,0,0,0,0|2,0,0]=4 159 B11R2.10 c1ccc2c(c1)[nH]c(n2)O A18324 [2,0,0,0,0,0|1,0,0]=3 160 B11R2.10 c1ccc2c(c1)[nH]c(n2)S A18350 [2,0,0,0,0,0|1,1,0]=4 161 B11R2.10 c1ccc2c(c1)nc(s2)O A16648 [2,0,0,0,0,0|1,0,1]=4 162 B13R1.133 Cc1ccc(cc1)C[C@@H](C(=O)O)N H26905 [0,1,1,0,0,0|0,0,2]=4 163 B13R1.133 Cc1ccc(cc1)C[C@H](C(=O)O)N H27518 [0,1,1,0,0,0|0,0,2]=4 164 B13R1.133 c1cc(ccc1CC(C(=O)O)N)Br L02833 [0,1,1,0,0,0|0,0,2]=4 165 B13R1.133 c1cc(ccc1CC(C(=O)O)N)Cl A13323 [0,1,1,0,0,0|0,0,2]=4 166 B13R1.133 c1cc(ccc1CC(C(=O)O)N)F L07585 [0,1,1,0,0,0|0,0,2]=4 167 B13R1.133 c1cc(ccc1CC(C(=O)O)N)O A13740 [0,1,1,0,0,0|0,0,2]=4 168 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)N)Br H27233 [0,1,1,0,0,0|0,0,2]=4 169 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)N)Cl H63573 [0,1,1,0,0,0|0,0,2]=4 170 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)N)F L19934 [0,1,1,0,0,0|0,0,2]=4 171 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)N)I H51979 [0,1,1,0,0,0|0,0,2]=4 172 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)N)N H51970 [0,1,1,0,0,0|0,0,2]=4 173 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)N)O A11141 [0,1,1,0,0,0|0,0,2]=4 174 B13R1.133 c1cc(ccc1C[C@H](C(=O)O)N)Br H62891 [0,1,1,0,0,0|0,0,2]=4 175 B13R1.133 c1cc(ccc1C[C@H](C(=O)O)N)Cl H51982 [0,1,1,0,0,0|0,0,2]=4 176 B13R1.133 c1cc(ccc1C[C@H](C(=O)O)N)F H59628 [0,1,1,0,0,0|0,0,2]=4 177 B13R1.133 c1cc(ccc1C[C@H](C(=O)O)N)I H65907 [0,1,1,0,0,0|0,0,2]=4 178 B13R1.133 c1cc(ccc1C[C@H](C(=O)O)N)O A17709 [0,1,1,0,0,0|0,0,2]=4 179 B13R1.135 COC(=O)C(Cc1ccccc1)N A12758 [0,1,1,0,0,0|0,0,2]=4 180 B13R1.135 COC(=O)[C@@H](Cc1ccccc1)N H25920 [0,1,1,0,0,0|0,0,2]=4 181 B13R1.135 COC(=O)[C@H](Cc1ccccc1)N A11455 [0,1,1,0,0,0|0,0,2]=4 182 B13R1.148 Cc1cccc(c1)C[C@@H](C(=O)O)N H52047 [0,1,1,0,0,0|0,0,2]=4 183 B13R1.148 Cc1cccc(c1)C[C@H](C(=O)O)N H27108 [0,1,1,0,0,0|0,0,2]=4 184 B13R1.148 c1cc(cc(c1)Br)CC(C(=O)O)N H65547 [0,1,1,0,0,0|0,0,2]=4 185 B13R1.148 c1cc(cc(c1)Br)C[C@@H](C(=O)O)N H52114 [0,1,1,0,0,0|0,0,2]=4 186 B13R1.148 c1cc(cc(c1)Cl)C[C@@H](C(=O)O)N H52018 [0,1,1,0,0,0|0,0,2]=4 187 B13R1.148 c1cc(cc(c1)Cl)C[C@H](C(=O)O)N H63239 [0,1,1,0,0,0|0,0,2]=4 188 B13R1.148 c1cc(cc(c1)F)CC(C(=O)O)N L07297 [0,1,1,0,0,0|0,0,2]=4 189 B13R1.148 c1cc(cc(c1)F)C[C@H](C(=O)O)N H63131 [0,1,1,0,0,0|0,0,2]=4 190 B13R1.148 c1cc(cc(c1)O)CC(C(=O)O)N H63163 [0,1,1,0,0,0|0,0,2]=4 191 B13R1.148 c1cc(cc(c1)O)C[C@@H](C(=O)O)N H27224 [0,1,1,0,0,0|0,0,2]=4 192 B13R1.202 Cc1ccccc1C[C@@H](C(=O)O)N H27663 [0,1,1,0,0,0|0,0,2]=4 193 B13R1.202 Cc1ccccc1C[C@H](C(=O)O)N H65104 [0,1,1,0,0,0|0,0,2]=4 194 B13R1.202 c1ccc(c(c1)CC(C(=O)O)N)F L07654 [0,1,1,0,0,0|0,0,2]=4 195 B13R1.202 c1ccc(c(c1)CC(C(=O)O)N)O 44541 [0,1,1,0,0,0|0,0,2]=4 196 B13R1.202 c1ccc(c(c1)C[C@@H](C(=O)O)N)Br H63141 [0,1,1,0,0,0|0,0,2]=4 197 B13R1.202 c1ccc(c(c1)C[C@@H](C(=O)O)N)Cl H27135 [0,1,1,0,0,0|0,0,2]=4 198 B13R1.202 c1ccc(c(c1)C[C@@H](C(=O)O)N)F H27807 [0,1,1,0,0,0|0,0,2]=4 199 B13R1.202 c1ccc(c(c1)C[C@H](C(=O)O)N)Br H63730 [0,1,1,0,0,0|0,0,2]=4 200 B13R1.202 c1ccc(c(c1)C[C@H](C(=O)O)N)Cl H27359 [0,1,1,0,0,0|0,0,2]=4 201 B13R1.202 c1ccc(c(c1)C[C@H](C(=O)O)N)F H27524 [0,1,1,0,0,0|0,0,2]=4 202 B13R1.418 CN[C@H](Cc1ccccc1)C(=O)O H65675 [0,1,1,0,0,0|0,0,2]=4 203 B13R1.418 c1ccc(cc1)\C=C(/C#N)\C(=O)O L04133 [0,1,1,0,0,0|0,0,1]=3 204 B13R1.1073 CC(Cc1ccccc1)(C(=O)O)N B25155 [0,1,1,0,0,0|0,0,2]=4 205 B13R1.90 COc1c(cccn1)\C=C\C(=O)O H50063 [0,1,1,0,0,0|2,0,0]=4 206 B13R1.90 COc1ccccc1\C=C\C(=O)O A15173 [0,1,1,0,0,0|1,0,0]=3 207 B13R1.90 c1ccc(c(c1)C=O)OCC(=O)O A14605 [0,1,1,0,0,0|1,0,1]=4 208 B13R1.150 Cc1c(cccc1F)\C=C\C(=O)O H32762 [0,1,1,0,0,0|1,0,0]=3 209 B13R1.150 c1cc(c(c(c1)F)F)\C=C\C(=O)O B20105 [0,1,1,0,0,0|1,0,0]=3 210 B13R1.164 CC(=O)\C=C\c1ccc(cc1Cl)Cl B25270 [0,1,1,0,0,0|2,0,0]=4 211 B13R1.164 c1cc(c(cc1Br)F)\C=C\C(=O)O A16028 [0,1,1,0,0,0|1,0,0]=3 212 B13R1.164 c1cc(c(cc1Cl)Cl)\C=C\C(=O)O A13824 [0,1,1,0,0,0|1,0,0]=3 213 B13R1.164 c1cc(c(cc1Cl)F)\C=C\C(=O)O A17018 [0,1,1,0,0,0|1,0,0]=3 214 B13R1.164 c1cc(c(cc1F)Cl)\C=C\C(=O)O B23062 [0,1,1,0,0,0|1,0,0]=3 215 B13R1.164 c1cc(c(cc1F)F)\C=C\C(=O)O A18277 [0,1,1,0,0,0|1,0,0]=3 216 B13R1.893 Cc1ccc(c(c1)\C=C\C(=O)O)C L01799 [0,1,1,0,0,0|1,0,0]=3 217 B13R1.893 c1c(cnc(c1\C=C\C(=O)O)N)Br H50007 [0,1,1,0,0,0|1,0,0]=3 218 B13R1.893 c1cc(c(cc1Br)\C=C\C(=O)O)F A16109 [0,1,1,0,0,0|1,0,0]=3 219 B13R1.893 c1cc(c(cc1F)\C=C\C(=O)O)Br B21784 [0,1,1,0,0,0|1,0,0]=3 220 B13R1.893 c1cc(c(cc1F)\C=C\C(=O)O)F A19954 [0,1,1,0,0,0|1,0,0]=3 221 B13R1.3787 CC(=O)\C=C\c1c(cccc1Cl)Cl L05706 [0,1,1,0,0,0|2,0,0]=4 222 B13R1.3787 CC(=O)\C=C\c1c(cccc1Cl)F A15083 [0,1,1,0,0,0|2,0,0]=4 223 B13R1.3787 c1cc(c(c(c1)Cl)\C=C\C(=O)O)Cl L05614 [0,1,1,0,0,0|1,0,0]=3 224 B13R1.3787 c1cc(c(c(c1)Cl)\C=C\C(=O)O)F L07468 [0,1,1,0,0,0|1,0,0]=3 225 B13R1.3787 c1cc(c(c(c1)F)\C=C\C(=O)O)F B20353 [0,1,1,0,0,0|1,0,0]=3 226 B13R2.45 Cc1c2ccccc2[nH]c1C=O H66393 [1,1,0,0,0,0|0,0,0]=2 227 B13R2.45 Cc1c2ccccc2sc1C=O A11375 [1,1,0,0,0,0|1,0,0]=3 228 B13R2.45 Cn1c2ccccc2nc1C=O B25601 [1,1,0,0,0,0|1,0,0]=3 229 B15R2.629 Cc1c2ccccc2sc1CC(=O)O A19620 [0,1,0,0,0,1|1,0,0]=3 230 B15R2.627 CC(=O)c1ccc2ccccc2c1O A19532 [0,1,0,0,0,1|2,0,0]=4 231 B15R2.627 c1ccc2c(c1)c(=O)c(co2)C(=O)O A14422 [0,1,0,0,0,1|1,0,0]=3 232 B15R2.627 c1ccc2c(c1)ccc(c2O)C(=O)O A12785 [0,1,0,0,0,1|1,0,0]=3 233 B15R2.984 CC(=O)c1cc2ccccc2oc1=O A12532 [0,1,0,0,0,1|2,0,0]=4 234 B15R2.984 Cc1c(nc2ccccc2n1)C(=O)[O-] H35252 [0,1,0,0,0,1|0,0,2]=4 235 B15R2.984 c1ccc2c(c1)cc(c(=O)o2)C(=O)O L07133 [0,1,0,0,0,1|1,0,0]=3 236 B15R2.984 c1ccc2c(c1)nc(c(n2)Cl)C(=O)O H66144 [0,1,0,0,0,1|0,0,1]=3 237 B15R2.984 c1ccc2cc(c(cc2c1)C(=O)O)N L19312 [0,1,0,0,0,1|1,0,0]=3 238 B15R2.984 c1ccc2cc(c(cc2c1)C(=O)O)O A19214 [0,1,0,0,0,1|1,0,0]=3 239 B15R2.1601 COC(=O)c1cc2ccccc2cn1 B20181 [0,1,0,0,0,1|0,0,1]=3 240 B15R2.1601 COC(=O)c1ccc2ccccc2c1 L09973 [0,1,0,0,0,1|1,0,0]=3 241 B15R2.1601 c1ccc2cc(ccc2c1)C(=O)CBr B23960 [0,1,0,0,0,1|2,0,0]=4 242 B15R2.1601 c1ccc2cc(ccc2c1)C(=O)NN L08038 [0,1,0,0,0,1|2,0,0]=4 243 B15R2.4441 c1ccc2cc(ccc2c1)S(=O)(=O)O A13445 [0,1,0,0,0,1|2,0,0]=4 244 B15R2.4441 c1ccc2cc(ccc2c1)S(=O)(=O)O H56685 [0,1,0,0,0,1|2,0,0]=4 245 B15R2.7174 c1cc2c(cc1Cl)C=C(CO2)C(=O)O A13425 [0,1,0,0,0,1|1,0,0]=3 246 B15R2.7180 Cc1ccc2cc(ccc2n1)C(=O)O H63790 [0,1,0,0,0,1|2,0,0]=4 247 B15R2.7180 c1cc(cc2c1cc(cc2)Br)C(=O)O L16093 [0,1,0,0,0,1|1,0,0]=3 248 B15R2.7180 c1cc(cc2c1cc(cc2)O)C(=O)O B21791 [0,1,0,0,0,1|1,0,0]=3 249 B15R2.14951 c1ccc2c(c1)c(=O)cc(o2)C(=O)O A13552 [0,1,0,0,0,1|1,0,0]=3 250 B15R2.14951 c1ccc2c(c1)c(cc(n2)C(=O)O)O A12602 [0,1,0,0,0,1|0,0,1]=3 251 B15R2.61353 c1cc2ccc(nc2c(c1)O)C(=O)O H27054 [0,1,0,0,0,1|0,0,1]=3 252 B15R2.1592 COC(=O)c1c(c2ccccc2s1)Cl L10696 [0,2,0,0,0,0|1,0,0]=3 253 B15R2.1592 COC(=O)c1c(c2ccccc2s1)N H33956 [0,2,0,0,0,0|1,0,0]=3 254 B15R2.1592 Cc1c2ccccc2sc1C(=O)OC B24069 [0,2,0,0,0,0|1,0,0]=3 255 B15R2.7203 c1cc2nc(c(n2cc1Cl)Br)C(=O)O H35970 [0,2,0,0,0,0|1,0,1]=4 256 B15R2.13629 c1cc2c(c(c1)Cl)c(c(s2)C(=O)Cl)Cl H50421 [0,2,0,0,0,0|2,0,0]=4 257 B15R2.14758 Cc1ccc2c(c1)sc(c2Cl)C(=O)Cl H50423 [0,2,0,0,0,0|2,0,0]=4 258 B15R2.14758 c1cc2c(cc1Cl)sc(c2Cl)C(=O)Cl H50420 [0,2,0,0,0,0|2,0,0]=4 259 B15R2.14758 c1cc2c(cc1F)sc(c2Cl)C(=O)Cl H50422 [0,2,0,0,0,0|2,0,0]=4 260 B15R2.1356 CCOC(=O)[C@@H]1Cc2ccccc2N1 H28059 [0,2,0,0,0,0|0,0,2]=4 261 B15R2.1356 CCOC(=O)c1cc2ccccc2[nH]1 L00797 [0,2,0,0,0,0|0,0,0]=2 262 B15R2.1356 CCOC(=O)c1cn2ccccc2n1 H35384 [0,2,0,0,0,0|1,0,1]=4 263 B15R2.1356 CCOC(=O)c1nc2ccccc2s1 H32904 [0,2,0,0,0,0|1,0,1]=4 264 B15R2.1590 COC(=O)c1cc2ccc(cc2[nH]1)Br H63187 [0,2,0,0,0,0|0,0,0]=2 265 B15R2.4834 B(c1cc2cc(ccc2[nH]1)C#N)(O)O H53203 [0,2,0,0,0,0|1,0,1]=4 266 B15R2.4834 CC(=O)c1cc2cc(ccc2o1)OC H52364 [0,2,0,0,0,0|2,0,0]=4 267 B15R2.4834 COc1ccc2c(c1)cc([nH]2)C(=O)O L15137 [0,2,0,0,0,0|0,0,0]=2 268 B15R2.4834 COc1ccc2cc([nH]c2c1)C(=O)O H66239 [0,2,0,0,0,0|0,0,0]=2 269 B15R2.15633 c1c(cn2cc(nc2c1Br)C(=O)O)Cl H35323 [0,2,0,0,0,0|1,0,1]=4 270 B15R2.20824 CC(=O)c1cc2cccc(c2o1)OC B21139 [0,2,0,0,0,0|2,0,0]=4 271 B15R2.20824 COc1cccc2c1cc([nH]2)C(=O)O H52392 [0,2,0,0,0,0|0,0,0]=2 272 B15R2.20824 COc1cccc2c1oc(c2)C(=O)O B21185 [0,2,0,0,0,0|1,0,0]=3 273 B13R2.369 c1ccc2c(c1)cc(c(=O)o2)Cl H27494 [0,0,1,1,0,0|1,0,0]=3 274 B13R2.369 c1ccc2c(c1)cc(c(=O)o2)N L14031 [0,0,1,1,0,0|0,0,0]=2 275 B13R2.369 c1ccc2cc(c(cc2c1)N)N A12993 [0,0,1,1,0,0|2,0,0]=4 276 B13R2.369 c1ccc2cc(c(cc2c1)N)O B24570 [0,0,1,1,0,0|1,0,0]=3 277 B13R2.369 c1ccc2cc(c(cc2c1)O)O A11307 [0,0,1,1,0,0|2,0,0]=4 278 B13R2.5179 c1cc2cc(ccc2c(c1)O)O L15801 [0,0,1,1,0,0|2,0,0]=4 279 B13R2.72 c1ccc2c(c1)CC=C2C(=O)O H34344 [0,0,1,1,0,0|1,0,1]=4 280 B13R2.72 c1ccc2c(c1)c(c[nH]2)C(=O)O A12634 [0,0,1,1,0,0|2,0,0]=4 281 B13R2.72 c1ccc2c(c1)c(cs2)C(=O)O H50105 [0,0,1,1,0,0|2,0,0]=4 282 B13R2.72 c1ccc2c(c1)c(n[nH]2)C(=O)O H64001 [0,0,1,1,0,0|1,0,1]=4 283 B13R2.430 c1cc(cc2c1cc[nH]2)C(=O)O L16019 [0,0,1,1,0,0|2,0,0]=4 284 B13R2.430 c1cc2c(cc[nH]2)cc1C(=O)O A18627 [0,0,1,1,0,0|2,0,0]=4 285 B13R2.5569 c1cc(c2cc[nH]c2c1)C(=O)O H55092 [0,0,1,1,0,0|2,0,0]=4 286 B13R2.5569 c1cc2cc[nH]c2c(c1)C(=O)O H54931 [0,0,1,1,0,0|2,0,0]=4 287 B11R1.36 CC(c1ccccc1)C(=O)O L00709 [0,0,1,0,1,0|0,0,2]=4 288 B11R1.36 C[C@@H](c1ccccc1)C(=O)O L08802 [0,0,1,0,1,0|0,0,2]=4 289 B11R1.36 C[C@H](c1ccccc1)C(=O)O A17639 [0,0,1,0,1,0|0,0,2]=4 290 B11R1.36 c1ccc(cc1)C(=O)C(=O)O L00648 [0,0,1,0,1,0|1,0,0]=3 291 B11R1.36 c1ccc(cc1)C(C(=O)O)F L01745 [0,0,1,0,1,0|1,0,1]=4 292 B11R1.36 c1ccc(cc1)C(C(=O)O)N B21129 [0,0,1,0,1,0|0,0,1]=3 293 B11R1.36 c1ccc(cc1)C(C(=O)O)O A14223 [0,0,1,0,1,0|1,0,1]=4 294 B11R1.36 c1ccc(cc1)[C@@H](C(=O)Cl)N H56828 [0,0,1,0,1,0|1,0,1]=4 295 B11R1.36 c1ccc(cc1)[C@@H](C(=O)N)N H65751 [0,0,1,0,1,0|1,0,1]=4 296 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)N A15669 [0,0,1,0,1,0|0,0,1]=3 297 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)N A19360 [0,0,1,0,1,0|0,0,1]=3 298 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)O A15061 [0,0,1,0,1,0|1,0,1]=4 299 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)O A14767 [0,0,1,0,1,0|1,0,1]=4 300 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)O L19116 [0,0,1,0,1,0|1,0,1]=4 301 B11R1.86 CC(=O)Nc1ccccc1Br L20132 [0,0,1,0,1,0|2,0,0]=4 302 B11R1.86 CC(=O)Nc1ccccc1Cl A14711 [0,0,1,0,1,0|2,0,0]=4 303 B11R1.86 CC(=O)Nc1ccccc1F A16927 [0,0,1,0,1,0|2,0,0]=4 304 B11R1.86 CC(=O)Nc1ccccc1N H27343 [0,0,1,0,1,0|2,0,0]=4 305 B11R1.86 CC(=O)Nc1ccccc1O B21264 [0,0,1,0,1,0|2,0,0]=4 306 B11R1.86 Cc1ccccc1CC(=O)O A15783 [0,0,1,0,1,0|0,0,2]=4 307 B11R1.86 Cc1ccccc1NC(=O)C A13235 [0,0,1,0,1,0|1,0,1]=4 308 B11R1.86 Cc1ccccc1NC(=O)N B23086 [0,0,1,0,1,0|1,0,1]=4 309 B11R1.86 c1ccc(c(c1)CC(=O)O)Br A16900 [0,0,1,0,1,0|1,0,1]=4 310 B11R1.86 c1ccc(c(c1)CC(=O)O)Cl A15834 [0,0,1,0,1,0|1,0,1]=4 311 B11R1.86 c1ccc(c(c1)CC(=O)O)F A10596 [0,0,1,0,1,0|1,0,1]=4 312 B11R1.86 c1ccc(c(c1)CC(=O)O)I L15116 [0,0,1,0,1,0|1,0,1]=4 313 B11R1.86 c1ccc(c(c1)CC(=O)O)O A13924 [0,0,1,0,1,0|1,0,1]=4 314 B11R1.86 c1ccc(c(c1)NC(=O)N)F L01247 [0,0,1,0,1,0|2,0,0]=4 315 B13R1.348 CC(=O)CC(=O)Nc1ccccc1 A17534 [0,0,1,0,0,1|2,0,0]=4 316 B13R1.351 c1ccc(cc1)CC[C@@H](C(=O)O)N H27295 [0,0,1,0,0,1|0,0,2]=4 317 B13R1.351 c1ccc(cc1)CC[C@H](C(=O)O)N H27629 [0,0,1,0,0,1|0,0,2]=4 318 B13R1.351 c1ccc(cc1)SC[C@@H](C(=O)O)N H55031 [0,0,1,0,0,1|0,0,2]=4 319 B13R2.57 C=Cc1ccc2ccccc2c1 A12470 [1,0,0,0,0,1|2,0,0]=4 320 B13R2.57 c1ccc2c(c1)cc(cn2)C=O L13815 [1,0,0,0,0,1|0,0,1]=3 321 B13R2.57 c1ccc2c(c1)ccc(n2)C=O L20202 [1,0,0,0,0,1|0,0,1]=3 322 B13R2.57 c1ccc2cc(ccc2c1)C=O B25157 [1,0,0,0,0,1|1,0,0]=3 323 B15R2.1660 c1ccc2c(c1)[nH]c(n2)SCC(=O)O A11221 [0,0,0,0,0,2|1,0,0]=3 324 B15R2.1668 CC(=O)Oc1ccc2ccccc2c1 A18487 [0,0,0,0,0,2|2,0,0]=4 325 B15R2.1668 c1ccc2c(c1)C[C@H](NC2)CC(=O)O H52111 [0,0,0,0,0,2|0,0,2]=4 326 B15R2.1668 c1ccc2cc(ccc2c1)CC(=O)O A13528 [0,0,0,0,0,2|1,0,0]=3