0 B13R2.369 CC1C(=O)Nc2ccccc2O1 H61075 [0,0,0,0,0,0|3,0,1]=4 1 B13R2.369 CC1C(=O)Nc2ccccc2S1 H61012 [0,0,0,0,0,0|3,0,1]=4 2 B13R2.369 Cc1c(=O)[nH]c2ccccc2n1 H51733 [0,0,0,0,0,0|3,0,0]=3 3 B13R2.369 Cc1cc2ccccc2cc1C L08386 [0,0,0,0,0,0|4,0,0]=4 4 B13R2.369 Cc1cc2ccccc2nc1Cl H50492 [0,0,0,0,0,0|3,0,1]=4 5 B13R2.369 c1ccc2c(c1)cc(c(=O)o2)Cl H27494 [0,0,0,0,0,0|3,0,0]=3 6 B13R2.369 c1ccc2c(c1)cc(c(=O)o2)N L14031 [0,0,0,0,0,0|3,0,0]=3 7 B13R2.369 c1ccc2c(c1)nc(c(n2)O)O L07581 [0,0,0,0,0,0|2,0,2]=4 8 B13R2.369 c1ccc2cc(c(cc2c1)N)N A12993 [0,0,0,0,0,0|4,0,0]=4 9 B13R2.369 c1ccc2cc(c(cc2c1)N)O B24570 [0,0,0,0,0,0|3,0,0]=3 10 B13R2.369 c1ccc2cc(c(cc2c1)O)O A11307 [0,0,0,0,0,0|2,0,1]=3 11 B12R2.24 Cc1cc2ccccc2nc1 A13109 [1,0,0,0,0,0|2,0,1]=4 12 B12R2.24 Cc1ccc2ccccc2c1 L02459 [1,0,0,0,0,0|3,0,0]=4 13 B12R2.24 Cc1ccc2ccccc2n1 A13412 [1,0,0,0,0,0|2,0,1]=4 14 B12R2.24 c1cc(=O)[nH]c2c1cncc2 H50121 [1,0,0,0,0,0|0,0,0]=1 15 B12R2.24 c1cc(cc2c1ccnc2)O L17067 [1,0,0,0,0,0|1,0,0]=2 16 B12R2.24 c1ccc2c(c1)CCC(=O)N2 H36638 [1,0,0,0,0,0|1,0,2]=4 17 B12R2.24 c1ccc2c(c1)CNC(=O)N2 L07763 [1,0,0,0,0,0|2,0,1]=4 18 B12R2.24 c1ccc2c(c1)NC(=O)CO2 H27622 [1,0,0,0,0,0|2,0,1]=4 19 B12R2.24 c1ccc2c(c1)NC(=O)CS2 A11091 [1,0,0,0,0,0|2,0,1]=4 20 B12R2.24 c1ccc2c(c1)cc(cn2)Br A14573 [1,0,0,0,0,0|2,0,1]=4 21 B12R2.24 c1ccc2c(c1)cc(cn2)N A16592 [1,0,0,0,0,0|2,0,1]=4 22 B12R2.24 c1ccc2c(c1)cc(cn2)[Zn+] H58426 [1,0,0,0,0,0|2,0,1]=4 23 B12R2.24 c1ccc2c(c1)ccc(=O)o2 A15336 [1,0,0,0,0,0|2,0,0]=3 24 B12R2.24 c1ccc2c(c1)ccc(n2)Br H27302 [1,0,0,0,0,0|2,0,1]=4 25 B12R2.24 c1ccc2c(c1)ccc(n2)Cl B23443 [1,0,0,0,0,0|2,0,1]=4 26 B12R2.24 c1ccc2c(c1)ccc(n2)O B23064 [1,0,0,0,0,0|1,0,2]=4 27 B12R2.24 c1ccc2c(c1)ccc(n2)S H55749 [1,0,0,0,0,0|1,1,1]=4 28 B12R2.24 c1ccc2cc(ccc2c1)Br A15300 [1,0,0,0,0,0|3,0,0]=4 29 B12R2.24 c1ccc2cc(ccc2c1)O A14564 [1,0,0,0,0,0|2,0,0]=3 30 B12R2.24 c1ccc2cc(ccc2c1)[Mg+] H51160 [1,0,0,0,0,0|3,0,0]=4 31 B12R2.24 c1ccc2cnc(cc2c1)O L19428 [1,0,0,0,0,0|3,0,0]=4 32 B14R2.1128 c1ccc2c(c1)[nH]c(=O)c(n2)CBr H27169 [0,1,0,0,0,0|3,0,0]=4 33 B14R2.1128 c1ccc2c(c1)cc(c(=O)[nH]2)C=O H33508 [0,1,0,0,0,0|1,0,1]=3 34 B14R2.1128 c1ccc2c(c1)cc(c(=O)o2)C#N H27871 [0,1,0,0,0,0|3,0,0]=4 35 B14R2.8239 c1cc2c(cc1Cl)[nH]c(=O)c(=O)[nH]2 L14038 [0,1,0,0,0,0|2,0,1]=4 36 B12R1.43 CC(=C)C(=O)Oc1ccccc1 L11978 [0,0,1,0,0,0|3,0,0]=4 37 B12R1.43 C\C(=C/c1ccccc1)\C(=O)O L00806 [0,0,1,0,0,0|3,0,0]=4 38 B12R2.18 CC1c2ccccc2NC1=O H27662 [0,0,0,0,1,0|2,0,1]=4 39 B12R2.18 Cc1c([nH]c2c1cccc2)C A18504 [0,0,0,0,1,0|3,0,0]=4 40 B12R2.18 c1ccc2c(c1)C(=O)C(=O)N2 A12468 [0,0,0,0,1,0|1,0,1]=3 41 B12R2.100 c1c[nH]c2c1cc(c(c2)O)O H66709 [0,0,0,0,1,0|1,0,2]=4 42 B11R1.40 C=CC(=O)Oc1ccccc1 L11819 [1,0,1,0,0,0|2,0,0]=4 43 B11R1.40 C\C(=C/c1ccccc1)\C=O A10429 [1,0,1,0,0,0|2,0,0]=4 44 B11R1.40 c1ccc(cc1)\C=C(\C=O)/Br A14230 [1,0,1,0,0,0|2,0,0]=4 45 B11R1.91 CC(=O)\C=C\c1ccccc1 A13537 [1,0,1,0,0,0|2,0,0]=4 46 B11R1.91 c1cc(cnc1)\C=C\C(=O)O A14747 [1,0,1,0,0,0|1,0,0]=3 47 B11R1.91 c1ccc(cc1)\C=C\C(=O)Cl A12016 [1,0,1,0,0,0|2,0,0]=4 48 B11R1.91 c1ccc(cc1)\C=C\C(=O)N A13429 [1,0,1,0,0,0|1,0,0]=3 49 B11R1.91 c1ccc(cc1)\C=C\C(=O)O A13538 [1,0,1,0,0,0|2,0,0]=4 50 B11R1.91 c1cnccc1\C=C\C(=O)O L13458 [1,0,1,0,0,0|2,0,0]=4 51 B11R2.20 c1ccc2c(c1)ccc[nH+]2 H55300 [2,0,0,0,0,0|1,0,1]=4 52 B11R2.20 c1ccc2c(c1)cccn2 43225 [2,0,0,0,0,0|1,0,1]=4 53 B11R2.20 c1ccc2c(c1)cccn2 A11545 [2,0,0,0,0,0|1,0,1]=4 54 B11R2.20 c1ccc2c(c1)cncn2 B24094 [2,0,0,0,0,0|2,0,0]=4 55 B11R2.20 c1ccc2ccccc2c1 33347 [2,0,0,0,0,0|2,0,0]=4 56 B11R2.20 c1ccc2ccccc2c1 A13188 [2,0,0,0,0,0|2,0,0]=4 57 B11R2.20 c1ccc2cnccc2c1 B21279 [2,0,0,0,0,0|1,0,0]=3 58 B11R2.20 c1ccc2cnncc2c1 A12270 [2,0,0,0,0,0|2,0,0]=4 59 B13R2.32 Cn1c2ccccc2ccc1=O L09410 [1,1,0,0,0,0|1,0,0]=3 60 B13R2.32 c1ccc2c(c1)ccc(c2Br)O A18692 [1,1,0,0,0,0|2,0,0]=4 61 B13R2.32 c1ccc2c(c1)ccc(c2N)O B24492 [1,1,0,0,0,0|2,0,0]=4 62 B13R2.57 COc1ccc2ccccc2c1 A17650 [1,1,0,0,0,0|2,0,0]=4 63 B13R2.57 c1ccc2c(c1)ccc(n2)C=O L20202 [1,1,0,0,0,0|1,0,1]=4 64 B13R2.57 c1ccc2cc(ccc2c1)C=O B25157 [1,1,0,0,0,0|2,0,0]=4 65 B13R2.155 c1cc(cc2c1ccc(=O)o2)O L04082 [1,1,0,0,0,0|2,0,0]=4 66 B13R2.155 c1cc(cc2c1ccc(c2)O)O A10229 [1,1,0,0,0,0|2,0,0]=4 67 B13R2.162 c1cc(=O)[nH]c2c1cncc2Br H50045 [1,1,0,0,0,0|0,0,0]=2 68 B13R2.162 c1cc(cc2c1ccnc2Cl)Br L19946 [1,1,0,0,0,0|2,0,0]=4 69 B13R2.162 c1cc(cc2c1ccnc2O)Br L17800 [1,1,0,0,0,0|2,0,0]=4 70 B13R2.162 c1cc2ccc(cc2c(c1)N)O A19404 [1,1,0,0,0,0|2,0,0]=4 71 B13R2.162 c1cc2ccc(cc2c(c1)O)O H28261 [1,1,0,0,0,0|2,0,0]=4 72 B13R2.328 c1ccc2c(c1)c(=O)oc(=O)[nH]2 A14603 [1,1,0,0,0,0|2,0,0]=4 73 B13R2.328 c1ccc2c(c1)c(cc(=O)o2)O A14394 [1,1,0,0,0,0|2,0,0]=4 74 B13R2.328 c1ccc2c(c1)cc(cc2O)O A17739 [1,1,0,0,0,0|2,0,0]=4 75 B13R2.3683 Cc1ccc2c(c1)ccc(=O)o2 A19382 [1,1,0,0,0,0|2,0,0]=4 76 B13R2.3683 c1cc(=O)[nH]c2c1cc(cc2)Br H54095 [1,1,0,0,0,0|1,0,0]=3 77 B13R2.3683 c1cc(=O)[nH]c2c1cc(cn2)Br H50042 [1,1,0,0,0,0|2,0,0]=4 78 B13R2.3683 c1cc(=O)oc2c1cc(cc2)N L11168 [1,1,0,0,0,0|2,0,0]=4 79 B13R2.3683 c1cc(cc2c1cc(cc2)Br)O A18535 [1,1,0,0,0,0|2,0,0]=4 80 B13R2.3683 c1cc(cc2c1cc(cc2)O)O B21465 [1,1,0,0,0,0|2,0,0]=4 81 B13R2.5179 c1cc2cc(ccc2c(c1)O)O L15801 [1,1,0,0,0,0|2,0,0]=4 82 B13R2.45 Cc1c2ccccc2[nH]c1C=O H66393 [0,1,0,0,1,0|2,0,0]=4 83 B13R2.135 c1ccc2c(c1)\C(=N\O)\C(=O)N2 B22732 [0,1,0,0,1,0|1,0,0]=3 84 B13R2.3028 Cc1ccc2c(c1)C(=O)C(=O)N2 L08009 [0,1,0,0,1,0|1,0,1]=4 85 B13R2.3028 c1cc2c(cc1Br)C(=O)C(=O)N2 A13641 [0,1,0,0,1,0|1,0,1]=4 86 B13R2.3028 c1cc2c(cc1Br)C(C(=O)N2)O A15869 [0,1,0,0,1,0|1,0,1]=4 87 B13R2.3028 c1cc2c(cc1Cl)C(=O)C(=O)N2 A13125 [0,1,0,0,1,0|1,0,1]=4 88 B13R2.3028 c1cc2c(cc1F)C(=O)C(=O)N2 B20831 [0,1,0,0,1,0|1,0,1]=4 89 B13R2.3028 c1cc2c(cc1I)C(=O)C(=O)N2 A14988 [0,1,0,0,1,0|1,0,1]=4 90 B13R2.3085 CN1c2ccccc2C(=O)C1=O A12942 [0,1,0,0,1,0|1,0,1]=4 91 B13R2.3085 c1ccc2c(c1)C(=O)N(C2=O)O A13862 [0,1,0,0,1,0|2,0,0]=4 92 B13R2.3085 c1ccc2c(c1)c(=O)c(=O)c2=O 43846 [0,1,0,0,1,0|1,0,1]=4 93 B13R2.3085 c1ccc2c(c1)c(=O)c(=O)c2=O A10409 [0,1,0,0,1,0|1,0,1]=4 94 B13R2.4825 c1cc2c(c(c1)Br)NC(=O)C2=O H32843 [0,1,0,0,1,0|1,0,1]=4 95 B13R2.4825 c1cc2c(c(c1)Cl)NC(=O)C2=O H55594 [0,1,0,0,1,0|1,0,1]=4 96 B13R2.4825 c1cc2c(c(c1)F)NC(=O)C2=O H26827 [0,1,0,0,1,0|1,0,1]=4 97 B13R2.4825 c1cc2c(c(c1)I)NC(=O)C2=O H52344 [0,1,0,0,1,0|1,0,1]=4 98 B15R2.984 c1ccc2c(c1)cc(c(=O)o2)C(=O)O L07133 [0,2,0,0,0,0|2,0,0]=4 99 B15R2.984 c1ccc2cc(c(cc2c1)C(=O)O)O A19214 [0,2,0,0,0,0|2,0,0]=4 100 B13R2.435 CC(=O)c1cc2ccccc2o1 L13771 [0,0,1,1,0,0|2,0,0]=4 101 B13R2.435 c1ccc2c(c1)cc(o2)C(=O)O A15579 [0,0,1,1,0,0|2,0,0]=4 102 B13R2.435 c1ccc2c(c1)cc(s2)C(=O)N A12292 [0,0,1,1,0,0|1,1,0]=4 103 B13R2.1613 c1cc2cnccc2c(c1)C=O L19636 [0,0,1,1,0,0|2,0,0]=4 104 B11R1.36 c1ccc(cc1)C(=O)C(=O)O L00648 [0,0,1,0,1,0|2,0,0]=4 105 B11R1.36 c1ccc(cc1)C(C(=O)N)O L04679 [0,0,1,0,1,0|1,0,1]=4 106 B11R2.1 Cc1c[nH]c2c1cccc2 L03890 [1,0,0,0,1,0|2,0,0]=4 107 B11R2.1 c1ccc2c(c1)c(c[nH]2)I H66490 [1,0,0,0,1,0|2,0,0]=4 108 B11R2.10 Cc1[nH]c2ccncc2n1 L19131 [1,0,0,0,1,0|2,0,0]=4 109 B11R2.10 Cc1cc2ccccc2[nH]1 A10764 [1,0,0,0,1,0|2,0,0]=4 110 B11R2.10 c1ccc2c(c1)CC(=O)N2 A18764 [1,0,0,0,1,0|1,0,1]=4 111 B11R2.10 c1ccc2c(c1)[nH]c(=O)o2 A19378 [1,0,0,0,1,0|2,0,0]=4 112 B11R2.10 c1ccc2c(c1)[nH]c(n2)O A18324 [1,0,0,0,1,0|2,0,0]=4 113 B11R2.36 c1cc(cc2c1cc[nH]2)O H55951 [1,0,0,0,1,0|1,0,1]=4 114 B11R2.36 c1cc2c(cc[nH]2)cc1O L00858 [1,0,0,0,1,0|2,0,0]=4