0 B13R2.328 Cc1cc(nc2c1cccc2)O L07417 [0,0,0,0,0,0|4,0,0]=4 1 B13R2.328 c1ccc2c(c1)C(=O)OP(O2)Cl B21086 [0,0,0,0,0,0|2,0,0]=2 2 B13R2.328 c1ccc2c(c1)CC(=O)OC2=O A15538 [0,0,0,0,0,0|2,0,1]=3 3 B13R2.328 c1ccc2c(c1)c(=O)oc(=O)[nH]2 A14603 [0,0,0,0,0,0|2,0,1]=3 4 B13R2.328 c1ccc2c(c1)c(cc(=O)o2)O A14394 [0,0,0,0,0,0|2,0,2]=4 5 B13R2.328 c1ccc2c(c1)c(cc(n2)O)O B20747 [0,0,0,0,0,0|3,0,1]=4 6 B13R2.328 c1ccc2c(c1)c(cc(n2)O)[O-] L12348 [0,0,0,0,0,0|3,0,1]=4 7 B13R2.328 c1ccc2c(c1)cc(cc2O)O A17739 [0,0,0,0,0,0|3,0,1]=4 8 B12R2.24 c1ccc2c(c1)ccc(=O)o2 A15336 [1,0,0,0,0,0|2,0,1]=4 9 B12R2.24 c1ccc2c(c1)ccc(n2)O B23064 [1,0,0,0,0,0|3,0,0]=4 10 B12R2.24 c1ccc2cc(ccc2c1)O A14564 [1,0,0,0,0,0|3,0,0]=4 11 B12R2.24 c1ccc2cnc(cc2c1)O L19428 [1,0,0,0,0,0|3,0,0]=4 12 B12R2.1081 c1ccc2c(c1)C(=O)CCO2 A11242 [1,0,0,0,0,0|2,0,0]=3 13 B12R2.1081 c1ccc2c(c1)CCCC2=O A13303 [1,0,0,0,0,0|3,0,0]=4 14 B12R2.1081 c1ccc2c(c1)COCC2=O H61539 [1,0,0,0,0,0|3,0,0]=4 15 B12R2.1081 c1ccc2c(c1)CSCC2=O L07948 [1,0,0,0,0,0|3,0,0]=4 16 B12R2.1081 c1ccc2c(c1)c(=O)[nH]nn2 A19798 [1,0,0,0,0,0|3,0,0]=4 17 B14R2.7724 Cn1c2ccccc2c(=O)oc1=O B24099 [0,1,0,0,0,0|2,0,1]=4 18 B14R2.7724 c1ccc2c(c1)C(=O)C=C(C2=O)O A11880 [0,1,0,0,0,0|3,0,0]=4 19 B14R2.8235 Cc1nc2ccc(cc2c(=O)o1)Br H50585 [0,1,0,0,0,0|3,0,0]=4 20 B12R1.75 CC(C)Oc1ccccc1C=O H50487 [0,0,1,0,0,0|3,0,0]=4 21 B12R1.75 c1ccc(c(c1)C=O)OC(F)F B24272 [0,0,1,0,0,0|3,0,0]=4 22 B12R1.283 CCOc1c(cccn1)C(=O)O B20887 [0,0,1,0,0,0|3,0,0]=4 23 B12R1.283 CCOc1ccccc1C(=O)C B20113 [0,0,1,0,0,0|3,0,0]=4 24 B12R1.283 CCOc1ccccc1C(=O)Cl L17686 [0,0,1,0,0,0|3,0,0]=4 25 B12R1.283 CCOc1ccccc1C(=O)N B25455 [0,0,1,0,0,0|3,0,0]=4 26 B12R1.283 CCOc1ccccc1C(=O)O A14758 [0,0,1,0,0,0|2,0,0]=3 27 B12R1.308 CCOC(=O)c1ccccc1Br A13166 [0,0,1,0,0,0|3,0,0]=4 28 B12R1.308 CCOC(=O)c1ccccc1C L00598 [0,0,1,0,0,0|3,0,0]=4 29 B12R1.308 CCOC(=O)c1ccccc1Cl A10141 [0,0,1,0,0,0|3,0,0]=4 30 B12R1.308 CCOC(=O)c1ccccc1F A16564 [0,0,1,0,0,0|3,0,0]=4 31 B12R1.308 CCOC(=O)c1ccccc1I L07650 [0,0,1,0,0,0|3,0,0]=4 32 B12R1.308 CCOC(=O)c1ccccc1N A14378 [0,0,1,0,0,0|3,0,0]=4 33 B12R1.308 CCOC(=O)c1ccccc1O A10101 [0,0,1,0,0,0|2,0,0]=3 34 B12R1.308 CCOC(=O)c1ccccc1[Zn+] H58721 [0,0,1,0,0,0|3,0,0]=4 35 B12R2.18 c1ccc2c(c1)C(=O)C(=O)N2 A12468 [0,0,0,0,1,0|2,0,1]=4 36 B12R2.18 c1ccc2c(c1)CC(C2=O)Br L12453 [0,0,0,0,1,0|3,0,0]=4 37 B12R2.2028 c1cc2c(nc1)C(=O)OC2=O B25118 [0,0,0,0,1,0|2,0,1]=4 38 B12R2.2028 c1ccc2c(c1)C(=O)CC2=O A12206 [0,0,0,0,1,0|2,0,1]=4 39 B12R2.2028 c1ccc2c(c1)C(=O)NC2=O A12584 [0,0,0,0,1,0|2,0,1]=4 40 B12R2.2028 c1ccc2c(c1)C(=O)OC2=O 41771 [0,0,0,0,1,0|1,0,1]=3 41 B12R2.2028 c1ccc2c(c1)C(=O)OC2=O A14955 [0,0,0,0,1,0|1,0,1]=3 42 B12R2.2028 c1ccc2c(c1)C(=O)[N-]C2=O A11134 [0,0,0,0,1,0|2,0,1]=4 43 B12R2.2028 c1cncc2c1C(=O)OC2=O A10771 [0,0,0,0,1,0|2,0,1]=4 44 B11R1.41 CCOc1ccccc1C=O A15035 [1,0,1,0,0,0|2,0,0]=4 45 B11R1.16 C=COC(=O)c1ccccc1 B21805 [1,0,1,0,0,0|2,0,0]=4 46 B11R1.16 CCOC(=O)c1ccccc1 44283 [1,0,1,0,0,0|2,0,0]=4 47 B11R1.16 CCOC(=O)c1ccccc1 A13057 [1,0,1,0,0,0|2,0,0]=4 48 B11R1.16 c1ccc(cc1)C(=O)NCO A12250 [1,0,1,0,0,0|2,0,0]=4 49 B11R1.16 c1ccc(cc1)C(=O)SCO L00523 [1,0,1,0,0,0|1,1,0]=4 50 B11R1.16 c1ccc(cc1)C(=O)\C=N\O L02098 [1,0,1,0,0,0|2,0,0]=4 51 B11R1.91 B(\C=C\c1ccccc1)(O)O H53227 [1,0,1,0,0,0|2,0,0]=4 52 B11R1.53 C=Cc1ccccc1C(=O)O H31723 [1,0,1,0,0,0|2,0,0]=4 53 B11R1.53 CC(=O)c1ccccc1OC A11929 [1,0,1,0,0,0|2,0,0]=4 54 B11R1.53 CNc1ccccc1C(=O)O B20531 [1,0,1,0,0,0|2,0,0]=4 55 B11R1.53 COc1c(cccn1)C(=O)O A13193 [1,0,1,0,0,0|2,0,0]=4 56 B11R1.53 COc1ccccc1C(=O)Cl B22784 [1,0,1,0,0,0|2,0,0]=4 57 B11R1.53 COc1ccccc1C(=O)N A12520 [1,0,1,0,0,0|2,0,0]=4 58 B11R1.53 COc1ccccc1C(=O)O A13513 [1,0,1,0,0,0|1,0,0]=3 59 B11R1.53 CSc1ccccc1C(=O)O A10379 [1,0,1,0,0,0|1,1,0]=4 60 B11R1.53 c1ccc(c(c1)C#N)C(=O)O H50237 [1,0,1,0,0,0|2,0,0]=4 61 B11R1.53 c1ccc(c(c1)C(=O)O)I=O L15606 [1,0,1,0,0,0|1,0,1]=4 62 B11R1.53 c1ccc(c(c1)C(=O)O)NN L11015 [1,0,1,0,0,0|2,0,0]=4 63 B11R1.53 c1ccc(c(c1)C=O)C(=O)O A11201 [1,0,1,0,0,0|1,0,1]=4 64 B11R1.53 c1ccc(c(c1)CBr)C(=O)O H28927 [1,0,1,0,0,0|2,0,0]=4 65 B11R1.222 CCC(=O)c1ccccc1O B25442 [1,0,1,0,0,0|2,0,0]=4 66 B11R1.222 COC(=O)c1ccccc1Br A12435 [1,0,1,0,0,0|2,0,0]=4 67 B11R1.222 COC(=O)c1ccccc1Cl A11237 [1,0,1,0,0,0|2,0,0]=4 68 B11R1.222 COC(=O)c1ccccc1F A16133 [1,0,1,0,0,0|2,0,0]=4 69 B11R1.222 COC(=O)c1ccccc1I A13204 [1,0,1,0,0,0|2,0,0]=4 70 B11R1.222 COC(=O)c1ccccc1N A15681 [1,0,1,0,0,0|2,0,0]=4 71 B11R1.222 COC(=O)c1ccccc1O A10578 [1,0,1,0,0,0|1,0,0]=3 72 B11R1.222 COC(=O)c1ccccc1S H28400 [1,0,1,0,0,0|1,1,0]=4 73 B11R1.222 COC(=O)c1cccnc1O H33334 [1,0,1,0,0,0|2,0,0]=4 74 B11R1.222 Cc1ccccc1C(=O)OC A15695 [1,0,1,0,0,0|2,0,0]=4 75 B11R1.222 c1ccc(c(c1)C(=O)CBr)O B25722 [1,0,1,0,0,0|2,0,0]=4 76 B11R1.222 c1ccc(c(c1)C(=O)NN)O A14218 [1,0,1,0,0,0|2,0,0]=4 77 B11R1.222 c1ccc(c(c1)C(=O)NO)O A11528 [1,0,1,0,0,0|1,0,0]=3 78 B11R1.222 c1ccc(c(c1)\C(=N\O)\N)O H54898 [1,0,1,0,0,0|2,0,0]=4 79 B13R1.572 CCCOc1ccccc1C(=O)O B24581 [0,1,1,0,0,0|2,0,0]=4 80 B13R1.464 CCOC(=O)c1ccccc1OC A11287 [0,1,1,0,0,0|2,0,0]=4 81 B13R2.3085 c1ccc2c(c1)C(=O)N(C2=O)O A13862 [0,1,0,0,1,0|2,0,0]=4 82 B13R2.4857 Cc1cccc2c1C(=O)OC2=O B22864 [0,1,0,0,1,0|1,0,1]=4 83 B13R2.4857 c1cc2c(c(c1)F)C(=O)OC2=O A12275 [0,1,0,0,1,0|1,0,1]=4 84 B13R2.5187 c1cc2c(cc1F)C(=O)OC2=O B21352 [0,1,0,0,1,0|1,0,1]=4 85 B13R2.12159 c1ccc2c(c1)C(=O)OS2(=O)=O A13314 [0,1,0,0,1,0|1,0,1]=4 86 B15R2.14951 c1ccc2c(c1)c(=O)cc(o2)C(=O)O A13552 [0,2,0,0,0,0|2,0,0]=4 87 B13R2.5252 c1ccc2c(c1)C(=O)OCCO2 L13582 [0,0,1,1,0,0|2,0,0]=4 88 B11R1.36 c1ccc(cc1)C(=O)C(=O)O L00648 [0,0,1,0,1,0|1,0,1]=4 89 B11R2.1 B1(c2ccccc2CO1)O L15192 [1,0,0,0,1,0|1,0,1]=4 90 B11R2.10 c1ccc2c(c1)OP(O2)Cl B22712 [1,0,0,0,1,0|2,0,0]=4 91 B13R1.90 c1ccc(c(c1)C=O)OCC(=O)O A14605 [0,0,1,0,0,1|1,0,1]=4