0 B13R2.162 Cc1ccc2cccc(c2c1)C A18030 [1,0,0,0,0,0|3,0,0]=4 1 B13R2.162 Cc1ccc2cccc(c2n1)Cl B20504 [1,0,0,0,0,0|1,1,1]=4 2 B13R2.162 Cc1ccc2cccc(c2n1)O L06989 [1,0,0,0,0,0|2,0,1]=4 3 B13R2.162 c1cc(=O)[nH]c2c1cncc2Br H50045 [1,0,0,0,0,0|1,1,0]=3 4 B13R2.162 c1cc2ccc(cc2c(c1)N)O A19404 [1,0,0,0,0,0|2,0,1]=4 5 B13R2.162 c1cc2ccc(cc2c(c1)O)O H28261 [1,0,0,0,0,0|2,0,1]=4 6 B13R2.162 c1cc2ccc(nc2c(c1)F)Cl H33446 [1,0,0,0,0,0|1,0,1]=3 7 B13R2.369 CC1C(=O)Nc2ccccc2O1 H61075 [1,0,0,0,0,0|2,0,1]=4 8 B13R2.369 CC1C(=O)Nc2ccccc2S1 H61012 [1,0,0,0,0,0|2,0,1]=4 9 B13R2.369 Cc1c(=O)[nH]c2ccccc2n1 H51733 [1,0,0,0,0,0|2,0,0]=3 10 B13R2.369 Cc1cc2ccccc2cc1C L08386 [1,0,0,0,0,0|3,0,0]=4 11 B13R2.369 Cc1cc2ccccc2nc1Cl H50492 [1,0,0,0,0,0|2,0,1]=4 12 B13R2.369 c1ccc2c(c1)cc(c(=O)o2)Cl H27494 [1,0,0,0,0,0|2,0,0]=3 13 B13R2.369 c1ccc2c(c1)cc(c(=O)o2)N L14031 [1,0,0,0,0,0|2,0,0]=3 14 B13R2.369 c1ccc2c(c1)nc(c(n2)O)O L07581 [1,0,0,0,0,0|1,0,2]=4 15 B13R2.369 c1ccc2cc(c(cc2c1)N)N A12993 [1,0,0,0,0,0|3,0,0]=4 16 B13R2.369 c1ccc2cc(c(cc2c1)N)O B24570 [1,0,0,0,0,0|2,0,0]=3 17 B13R2.369 c1ccc2cc(c(cc2c1)O)O A11307 [1,0,0,0,0,0|1,0,1]=3 18 B13R2.5179 c1cc2cc(ccc2c(c1)O)O L15801 [1,0,0,0,0,0|2,0,0]=3 19 B13R2.4825 c1cc2c(c(c1)Br)NC(=O)C2=O H32843 [0,0,0,0,1,0|0,1,1]=3 20 B13R2.4825 c1cc2c(c(c1)Cl)NC(=O)C2=O H55594 [0,0,0,0,1,0|0,1,1]=3 21 B13R2.4825 c1cc2c(c(c1)F)NC(=O)C2=O H26827 [0,0,0,0,1,0|0,0,1]=2 22 B13R2.4825 c1cc2c(c(c1)I)NC(=O)C2=O H52344 [0,0,0,0,1,0|0,1,1]=3 23 B12R1.224 Cc1c(cccc1F)CC(=O)O H26303 [1,0,1,0,0,0|1,0,1]=4 24 B12R1.224 c1cc(c(c(c1)F)F)CC(=O)O A16728 [1,0,1,0,0,0|1,0,1]=4 25 B12R1.43 CC(=C)C(=O)Oc1ccccc1 L11978 [1,0,1,0,0,0|2,0,0]=4 26 B12R1.43 C\C(=C/c1ccccc1)\C(=O)O L00806 [1,0,1,0,0,0|2,0,0]=4 27 B12R1.226 CC(=O)\C=C\c1cccc(c1)Cl A10332 [1,0,1,0,0,0|1,1,0]=4 28 B12R1.226 Cc1cccc(c1)\C=C\C(=O)O B20914 [1,0,1,0,0,0|2,0,0]=4 29 B12R1.226 c1cc(cc(c1)Br)\C=C\C(=O)O A16035 [1,0,1,0,0,0|1,1,0]=4 30 B12R1.226 c1cc(cc(c1)Cl)\C=C\C(=O)O A13416 [1,0,1,0,0,0|1,1,0]=4 31 B12R1.226 c1cc(cc(c1)F)\C=C\C(=O)O B20818 [1,0,1,0,0,0|1,0,0]=3 32 B12R1.226 c1cc(cc(c1)O)\C=C\C(=O)O A14466 [1,0,1,0,0,0|2,0,0]=4 33 B12R1.125 c1ccc(c(c1)\C=C\C(=O)O)F A15303 [1,0,1,0,0,0|2,0,0]=4 34 B12R1.1009 c1cc(c(c(c1)Cl)CC(=O)O)F A10460 [1,0,1,0,0,0|2,0,0]=4 35 B12R1.1009 c1cc(c(c(c1)F)CC(=O)O)F A18063 [1,0,1,0,0,0|2,0,0]=4 36 B12R2.24 Cc1cc2ccccc2nc1 A13109 [2,0,0,0,0,0|1,0,1]=4 37 B12R2.24 Cc1ccc2ccccc2c1 L02459 [2,0,0,0,0,0|2,0,0]=4 38 B12R2.24 Cc1ccc2ccccc2n1 A13412 [2,0,0,0,0,0|1,0,1]=4 39 B12R2.24 c1cc(=O)[nH]c2c1cncc2 H50121 [2,0,0,0,0,0|1,0,0]=3 40 B12R2.24 c1cc(cc2c1ccnc2)O L17067 [2,0,0,0,0,0|2,0,0]=4 41 B12R2.24 c1ccc2c(c1)CCC(=O)N2 H36638 [2,0,0,0,0,0|0,0,2]=4 42 B12R2.24 c1ccc2c(c1)CNC(=O)N2 L07763 [2,0,0,0,0,0|1,0,1]=4 43 B12R2.24 c1ccc2c(c1)NC(=O)CO2 H27622 [2,0,0,0,0,0|1,0,1]=4 44 B12R2.24 c1ccc2c(c1)NC(=O)CS2 A11091 [2,0,0,0,0,0|1,0,1]=4 45 B12R2.24 c1ccc2c(c1)cc(cn2)Br A14573 [2,0,0,0,0,0|1,0,1]=4 46 B12R2.24 c1ccc2c(c1)cc(cn2)N A16592 [2,0,0,0,0,0|1,0,1]=4 47 B12R2.24 c1ccc2c(c1)cc(cn2)[Zn+] H58426 [2,0,0,0,0,0|1,0,1]=4 48 B12R2.24 c1ccc2c(c1)ccc(=O)o2 A15336 [2,0,0,0,0,0|1,0,0]=3 49 B12R2.24 c1ccc2c(c1)ccc(n2)Br H27302 [2,0,0,0,0,0|1,0,1]=4 50 B12R2.24 c1ccc2c(c1)ccc(n2)Cl B23443 [2,0,0,0,0,0|1,0,1]=4 51 B12R2.24 c1ccc2c(c1)ccc(n2)O B23064 [2,0,0,0,0,0|0,0,2]=4 52 B12R2.24 c1ccc2c(c1)ccc(n2)S H55749 [2,0,0,0,0,0|0,1,1]=4 53 B12R2.24 c1ccc2cc(ccc2c1)Br A15300 [2,0,0,0,0,0|2,0,0]=4 54 B12R2.24 c1ccc2cc(ccc2c1)O A14564 [2,0,0,0,0,0|1,0,0]=3 55 B12R2.24 c1ccc2cc(ccc2c1)[Mg+] H51160 [2,0,0,0,0,0|2,0,0]=4 56 B12R2.24 c1ccc2cnc(cc2c1)O L19428 [2,0,0,0,0,0|2,0,0]=4 57 B12R2.1081 Cc1cccc2c1cccc2 A15327 [2,0,0,0,0,0|2,0,0]=4 58 B12R2.1081 Cc1cccc2c1nccc2 L03288 [2,0,0,0,0,0|1,0,1]=4 59 B12R2.1081 c1cc2cccnc2c(c1)Br H25961 [2,0,0,0,0,0|0,1,1]=4 60 B12R2.1081 c1cc2cccnc2c(c1)N A16752 [2,0,0,0,0,0|1,0,1]=4 61 B12R2.1081 c1cc2cccnc2c(c1)O 41272 [2,0,0,0,0,0|1,0,1]=4 62 B12R2.1081 c1cc2cccnc2c(c1)O A14720 [2,0,0,0,0,0|1,0,1]=4 63 B12R2.1081 c1cc2cccnc2c(c1)O L02743 [2,0,0,0,0,0|1,0,1]=4 64 B12R2.1081 c1cc2cccnc2c(c1)[O-] 43850 [2,0,0,0,0,0|1,0,1]=4 65 B12R2.1081 c1cc2cccnc2c(c1)[O-] H55656 [2,0,0,0,0,0|1,0,1]=4 66 B12R2.1081 c1ccc2c(c1)cccc2Br A14122 [2,0,0,0,0,0|1,1,0]=4 67 B12R2.1081 c1ccc2c(c1)cccc2Cl A15029 [2,0,0,0,0,0|1,1,0]=4 68 B12R2.1081 c1ccc2c(c1)cccc2F A18378 [2,0,0,0,0,0|1,0,0]=3 69 B12R2.1081 c1ccc2c(c1)cccc2I B22644 [2,0,0,0,0,0|1,1,0]=4 70 B12R2.1081 c1ccc2c(c1)cccc2N 44088 [2,0,0,0,0,0|2,0,0]=4 71 B12R2.1081 c1ccc2c(c1)cccc2N H60409 [2,0,0,0,0,0|2,0,0]=4 72 B12R2.1081 c1ccc2c(c1)cccc2O A11862 [2,0,0,0,0,0|2,0,0]=4 73 B12R2.1081 c1ccc2c(c1)cccc2S B24876 [2,0,0,0,0,0|2,0,0]=4 74 B12R2.1081 c1ccc2c(c1)cccc2[Mg+] H51159 [2,0,0,0,0,0|2,0,0]=4 75 B14R2.8045 Cc1cc(c2cccc(c2n1)F)Cl H50556 [1,1,0,0,0,0|1,0,1]=4 76 B14R2.1128 c1ccc2c(c1)[nH]c(=O)c(n2)CBr H27169 [1,1,0,0,0,0|2,0,0]=4 77 B14R2.1128 c1ccc2c(c1)cc(c(=O)[nH]2)C=O H33508 [1,1,0,0,0,0|0,0,1]=3 78 B14R2.1128 c1ccc2c(c1)cc(c(=O)o2)C#N H27871 [1,1,0,0,0,0|2,0,0]=4 79 B14R2.8239 c1cc2c(cc1Cl)[nH]c(=O)c(=O)[nH]2 L14038 [1,1,0,0,0,0|1,0,1]=4 80 B14R2.8620 c1cc(c2c(c1Cl)C(=O)C(=O)N2)Cl A14853 [0,1,0,0,1,0|0,1,1]=4 81 B14R2.9184 Cc1cc(c2c(c1)C(=O)C(=O)N2)C L11332 [0,1,0,0,1,0|1,0,1]=4 82 B14R2.9184 Cc1cc(cc2c1NC(=O)C2=O)Cl L11682 [0,1,0,0,1,0|1,0,1]=4 83 B14R2.4529 CC(=O)c1cc2cc(ccc2o1)Br H50593 [0,0,1,1,0,0|1,1,0]=4 84 B14R2.4529 c1cc2c(cc1Cl)cc(o2)C(=O)O H50239 [0,0,1,1,0,0|1,1,0]=4 85 B14R2.4529 c1cc2c(cc1F)cc([nH]2)C(=O)O A12794 [0,0,1,1,0,0|2,0,0]=4 86 B14R2.4529 c1cc2c(cc1F)cc(s2)C(=O)O H33239 [0,0,1,1,0,0|1,1,0]=4 87 B12R2.202 c1cc2c(c(c1)F)NC(=O)C2 H61511 [1,0,0,0,1,0|0,0,1]=3 88 B12R2.202 c1cc2c(c(c1)I)NC(=O)C2 H52337 [1,0,0,0,1,0|0,1,1]=4 89 B12R2.18 CC1c2ccccc2NC1=O H27662 [1,0,0,0,1,0|1,0,1]=4 90 B12R2.18 Cc1c([nH]c2c1cccc2)C A18504 [1,0,0,0,1,0|2,0,0]=4 91 B12R2.18 c1ccc2c(c1)C(=O)C(=O)N2 A12468 [1,0,0,0,1,0|0,0,1]=3