0 B14R2.8239 c1cc(=O)oc2c1cc(c(c2)O)O A15393 [0,0,0,0,0,0|3,0,1]=4 1 B14R2.8239 c1cc2c(cc1Cl)[nH]c(=O)c(=O)[nH]2 L14038 [0,0,0,0,0,0|1,1,1]=3 2 B13R2.155 Cc1ccc2ccc(cc2c1)C B21704 [1,0,0,0,0,0|3,0,0]=4 3 B13R2.155 c1cc(cc2c1ccc(=O)o2)O L04082 [1,0,0,0,0,0|3,0,0]=4 4 B13R2.155 c1cc(cc2c1ccc(c2)Br)Br H56097 [1,0,0,0,0,0|2,1,0]=4 5 B13R2.155 c1cc(cc2c1ccc(c2)O)O A10229 [1,0,0,0,0,0|2,0,0]=3 6 B13R2.369 CC1C(=O)Nc2ccccc2O1 H61075 [1,0,0,0,0,0|2,0,1]=4 7 B13R2.369 CC1C(=O)Nc2ccccc2S1 H61012 [1,0,0,0,0,0|2,0,1]=4 8 B13R2.369 Cc1c(=O)[nH]c2ccccc2n1 H51733 [1,0,0,0,0,0|2,0,0]=3 9 B13R2.369 Cc1cc2ccccc2cc1C L08386 [1,0,0,0,0,0|3,0,0]=4 10 B13R2.369 Cc1cc2ccccc2nc1Cl H50492 [1,0,0,0,0,0|2,0,1]=4 11 B13R2.369 c1ccc2c(c1)cc(c(=O)o2)Cl H27494 [1,0,0,0,0,0|2,0,0]=3 12 B13R2.369 c1ccc2c(c1)cc(c(=O)o2)N L14031 [1,0,0,0,0,0|2,0,0]=3 13 B13R2.369 c1ccc2c(c1)nc(c(n2)O)O L07581 [1,0,0,0,0,0|1,0,2]=4 14 B13R2.369 c1ccc2cc(c(cc2c1)N)N A12993 [1,0,0,0,0,0|3,0,0]=4 15 B13R2.369 c1ccc2cc(c(cc2c1)N)O B24570 [1,0,0,0,0,0|2,0,0]=3 16 B13R2.369 c1ccc2cc(c(cc2c1)O)O A11307 [1,0,0,0,0,0|1,0,1]=3 17 B13R2.3683 Cc1ccc2c(c1)ccc(=O)o2 A19382 [1,0,0,0,0,0|2,0,0]=3 18 B13R2.3683 Cc1ccc2c(c1)ccc(n2)C B23934 [1,0,0,0,0,0|2,0,1]=4 19 B13R2.3683 Cc1ccc2cc(ccc2n1)Br H27447 [1,0,0,0,0,0|1,1,1]=4 20 B13R2.3683 Cc1ccc2cc(ccc2n1)F A11469 [1,0,0,0,0,0|1,0,1]=3 21 B13R2.3683 Cc1ccc2cc(ccc2n1)N A13967 [1,0,0,0,0,0|2,0,1]=4 22 B13R2.3683 Cc1ccc2cc(ccc2n1)O A18846 [1,0,0,0,0,0|2,0,1]=4 23 B13R2.3683 c1cc(=O)[nH]c2c1cc(cc2)Br H54095 [1,0,0,0,0,0|0,1,0]=2 24 B13R2.3683 c1cc(=O)[nH]c2c1cc(cn2)Br H50042 [1,0,0,0,0,0|1,1,0]=3 25 B13R2.3683 c1cc(=O)oc2c1cc(cc2)N L11168 [1,0,0,0,0,0|2,0,0]=3 26 B13R2.3683 c1cc(cc2c1cc(cc2)Br)Br L16134 [1,0,0,0,0,0|2,1,0]=4 27 B13R2.3683 c1cc(cc2c1cc(cc2)Br)O A18535 [1,0,0,0,0,0|1,1,1]=4 28 B13R2.3683 c1cc(cc2c1cc(cc2)O)O B21465 [1,0,0,0,0,0|2,0,1]=4 29 B13R2.3683 c1cc(nc2c1cc(cc2)Br)Cl H54895 [1,0,0,0,0,0|1,1,1]=4 30 B13R2.3683 c1cc2c(cc1Br)CCC(=O)N2 H37968 [1,0,0,0,0,0|0,1,2]=4 31 B13R2.3683 c1cc2c(cc1Br)OCC(=O)N2 H61082 [1,0,0,0,0,0|1,1,1]=4 32 B13R2.3683 c1cc2c(cc1Br)SCC(=O)N2 H27563 [1,0,0,0,0,0|1,1,1]=4 33 B13R2.3683 c1cc2c(cc1Cl)SCC(=O)N2 H27157 [1,0,0,0,0,0|1,1,1]=4 34 B13R2.3683 c1cc2c(cc1N)OCC(=O)N2 H31534 [1,0,0,0,0,0|2,0,1]=4 35 B13R2.3028 Cc1ccc2c(c1)C(=O)C(=O)N2 L08009 [0,0,0,0,1,0|1,0,1]=3 36 B13R2.3028 c1cc2c(cc1Br)C(=O)C(=O)N2 A13641 [0,0,0,0,1,0|0,1,1]=3 37 B13R2.3028 c1cc2c(cc1Br)C(C(=O)N2)O A15869 [0,0,0,0,1,0|0,1,1]=3 38 B13R2.3028 c1cc2c(cc1Cl)C(=O)C(=O)N2 A13125 [0,0,0,0,1,0|0,1,1]=3 39 B13R2.3028 c1cc2c(cc1F)C(=O)C(=O)N2 B20831 [0,0,0,0,1,0|0,0,1]=2 40 B13R2.3028 c1cc2c(cc1I)C(=O)C(=O)N2 A14988 [0,0,0,0,1,0|0,1,1]=3 41 B12R1.21 c1cc(ccc1\C=C\C(=O)O)F A16707 [1,0,1,0,0,0|2,0,0]=4 42 B12R1.43 CC(=C)C(=O)Oc1ccccc1 L11978 [1,0,1,0,0,0|2,0,0]=4 43 B12R1.43 C\C(=C/c1ccccc1)\C(=O)O L00806 [1,0,1,0,0,0|2,0,0]=4 44 B12R1.49 c1cc(ccc1NC(=O)CCl)F A17669 [1,0,1,0,0,0|1,0,1]=4 45 B12R1.226 CC(=O)\C=C\c1cccc(c1)Cl A10332 [1,0,1,0,0,0|1,1,0]=4 46 B12R1.226 Cc1cccc(c1)\C=C\C(=O)O B20914 [1,0,1,0,0,0|2,0,0]=4 47 B12R1.226 c1cc(cc(c1)Br)\C=C\C(=O)O A16035 [1,0,1,0,0,0|1,1,0]=4 48 B12R1.226 c1cc(cc(c1)Cl)\C=C\C(=O)O A13416 [1,0,1,0,0,0|1,1,0]=4 49 B12R1.226 c1cc(cc(c1)F)\C=C\C(=O)O B20818 [1,0,1,0,0,0|1,0,0]=3 50 B12R1.226 c1cc(cc(c1)O)\C=C\C(=O)O A14466 [1,0,1,0,0,0|2,0,0]=4 51 B12R1.127 Cc1ccc(cc1CC(=O)O)F H26390 [1,0,1,0,0,0|1,0,1]=4 52 B12R1.127 c1cc(c(cc1F)CC(=O)O)Br H62005 [1,0,1,0,0,0|1,0,1]=4 53 B12R1.127 c1cc(c(cc1F)CC(=O)O)Cl H26803 [1,0,1,0,0,0|1,0,1]=4 54 B12R1.127 c1cc(c(cc1F)CC(=O)O)F B21595 [1,0,1,0,0,0|1,0,1]=4 55 B12R1.233 CC(=O)Nc1ccc(cc1Br)F B25133 [1,0,1,0,0,0|1,0,1]=4 56 B12R1.233 CC(=O)Nc1ccc(cc1Cl)F B21762 [1,0,1,0,0,0|1,0,1]=4 57 B12R1.233 CC(=O)Nc1ccc(cc1F)F A10490 [1,0,1,0,0,0|1,0,1]=4 58 B12R1.233 Cc1cc(ccc1CC(=O)O)F H26365 [1,0,1,0,0,0|1,0,1]=4 59 B12R1.233 c1cc(c(cc1F)Cl)CC(=O)O B22872 [1,0,1,0,0,0|2,0,0]=4 60 B12R1.233 c1cc(c(cc1F)F)CC(=O)O B20431 [1,0,1,0,0,0|2,0,0]=4 61 B12R2.24 Cc1cc2ccccc2nc1 A13109 [2,0,0,0,0,0|1,0,1]=4 62 B12R2.24 Cc1ccc2c(c1)cccn2 B21892 [2,0,0,0,0,0|1,0,1]=4 63 B12R2.24 Cc1ccc2ccccc2c1 L02459 [2,0,0,0,0,0|2,0,0]=4 64 B12R2.24 Cc1ccc2ccccc2n1 A13412 [2,0,0,0,0,0|1,0,1]=4 65 B12R2.24 c1cc(=O)[nH]c2c1cncc2 H50121 [2,0,0,0,0,0|1,0,0]=3 66 B12R2.24 c1cc(cc2c1ccnc2)O L17067 [2,0,0,0,0,0|2,0,0]=4 67 B12R2.24 c1cc2cc(ccc2nc1)Br H55111 [2,0,0,0,0,0|0,1,1]=4 68 B12R2.24 c1cc2cc(ccc2nc1)Cl L20164 [2,0,0,0,0,0|0,1,1]=4 69 B12R2.24 c1cc2cc(ccc2nc1)F H35900 [2,0,0,0,0,0|0,0,1]=3 70 B12R2.24 c1cc2cc(ccc2nc1)N L13819 [2,0,0,0,0,0|1,0,1]=4 71 B12R2.24 c1ccc2c(c1)CCC(=O)N2 H36638 [2,0,0,0,0,0|0,0,2]=4 72 B12R2.24 c1ccc2c(c1)CNC(=O)N2 L07763 [2,0,0,0,0,0|1,0,1]=4 73 B12R2.24 c1ccc2c(c1)NC(=O)CO2 H27622 [2,0,0,0,0,0|1,0,1]=4 74 B12R2.24 c1ccc2c(c1)NC(=O)CS2 A11091 [2,0,0,0,0,0|1,0,1]=4 75 B12R2.24 c1ccc2c(c1)cc(cn2)Br A14573 [2,0,0,0,0,0|1,0,1]=4 76 B12R2.24 c1ccc2c(c1)cc(cn2)N A16592 [2,0,0,0,0,0|1,0,1]=4 77 B12R2.24 c1ccc2c(c1)cc(cn2)[Zn+] H58426 [2,0,0,0,0,0|1,0,1]=4 78 B12R2.24 c1ccc2c(c1)ccc(=O)o2 A15336 [2,0,0,0,0,0|1,0,0]=3 79 B12R2.24 c1ccc2c(c1)ccc(n2)Br H27302 [2,0,0,0,0,0|1,0,1]=4 80 B12R2.24 c1ccc2c(c1)ccc(n2)Cl B23443 [2,0,0,0,0,0|1,0,1]=4 81 B12R2.24 c1ccc2c(c1)ccc(n2)O B23064 [2,0,0,0,0,0|0,0,2]=4 82 B12R2.24 c1ccc2c(c1)ccc(n2)S H55749 [2,0,0,0,0,0|0,1,1]=4 83 B12R2.24 c1ccc2cc(ccc2c1)Br A15300 [2,0,0,0,0,0|1,1,0]=4 84 B12R2.24 c1ccc2cc(ccc2c1)O A14564 [2,0,0,0,0,0|1,0,0]=3 85 B12R2.24 c1ccc2cc(ccc2c1)[Mg+] H51160 [2,0,0,0,0,0|2,0,0]=4 86 B12R2.24 c1ccc2cnc(cc2c1)O L19428 [2,0,0,0,0,0|2,0,0]=4 87 B14R2.4513 c1cc2c(cc1F)c(=O)c(co2)Br H32163 [1,1,0,0,0,0|2,0,0]=4 88 B14R2.1128 c1ccc2c(c1)[nH]c(=O)c(n2)CBr H27169 [1,1,0,0,0,0|2,0,0]=4 89 B14R2.1128 c1ccc2c(c1)cc(c(=O)[nH]2)C=O H33508 [1,1,0,0,0,0|0,0,1]=3 90 B14R2.1128 c1ccc2c(c1)cc(c(=O)o2)C#N H27871 [1,1,0,0,0,0|2,0,0]=4 91 B14R2.2332 c1cc(nc2c1cc(cc2)F)C=O H66052 [1,1,0,0,0,0|0,0,1]=3 92 B14R2.8235 Cc1cc(=O)oc2c1cc(cc2)O L07192 [1,1,0,0,0,0|2,0,0]=4 93 B14R2.8235 Cc1cc(c2cc(ccc2n1)F)Cl H50553 [1,1,0,0,0,0|1,0,1]=4 94 B14R2.8235 Cc1cc(c2cc(ccc2n1)F)O L07612 [1,1,0,0,0,0|1,0,1]=4 95 B14R2.8235 Cc1ccc2c(c1)c(=O)[nH]c(=O)[nH]2 H63259 [1,1,0,0,0,0|2,0,0]=4 96 B14R2.8235 c1cc2c(cc1Br)c(=O)[nH]c(=O)[nH]2 H63547 [1,1,0,0,0,0|1,1,0]=4 97 B14R2.3274 COc1ccc2c(c1)C(=O)C(=O)N2 B22742 [0,1,0,0,1,0|1,0,1]=4 98 B14R2.9184 Cc1cc(c2c(c1)C(=O)C(=O)N2)C L11332 [0,1,0,0,1,0|1,0,1]=4 99 B14R2.9184 Cc1cc(cc2c1NC(=O)C2=O)Cl L11682 [0,1,0,0,1,0|0,1,1]=4 100 B16R2.23521 c1cc2c(cc1Br)cc(c(=O)o2)C(=O)O A15354 [0,2,0,0,0,0|1,1,0]=4 101 B14R2.4529 c1cc2c(cc1F)cc([nH]2)C(=O)O A12794 [0,0,1,1,0,0|2,0,0]=4 102 B12R1.1703 c1cc(c(cc1F)F)C(=O)C=O L20266 [0,0,1,0,1,0|1,0,1]=4 103 B12R2.132 Cc1csc2c1cc(cc2)F 43740 [1,0,0,0,1,0|2,0,0]=4 104 B12R2.606 Cc1cc2cc(ccc2[nH]1)Br H66848 [1,0,0,0,1,0|1,1,0]=4 105 B12R2.606 Cc1cc2cc(ccc2[nH]1)Cl B21036 [1,0,0,0,1,0|1,1,0]=4 106 B12R2.606 Cc1cc2cc(ccc2[nH]1)F H66121 [1,0,0,0,1,0|1,0,0]=3 107 B12R2.606 Cc1cc2cc(ccc2[nH]1)N B21694 [1,0,0,0,1,0|2,0,0]=4 108 B12R2.606 Cc1cc2cc(ccc2[nH]1)O H35580 [1,0,0,0,1,0|2,0,0]=4 109 B12R2.606 Cc1ccc2c(c1)cc([nH]2)C H66874 [1,0,0,0,1,0|2,0,0]=4 110 B12R2.606 c1cc2c(cc1F)CC(=O)N2 H32176 [1,0,0,0,1,0|0,0,2]=4 111 B12R2.18 CC1c2ccccc2NC1=O H27662 [1,0,0,0,1,0|1,0,1]=4 112 B12R2.18 Cc1c([nH]c2c1cccc2)C A18504 [1,0,0,0,1,0|2,0,0]=4 113 B12R2.18 c1ccc2c(c1)C(=O)C(=O)N2 A12468 [1,0,0,0,1,0|0,0,1]=3 114 B12R2.612 c1cc2c(cc1F)CCC2=O L10949 [1,0,0,0,1,0|0,0,2]=4