0 B14R2.8239 Cc1ccc2c(c1)nc(c(n2)C)C B21432 [0,0,0,0,0,0|3,0,1]=4 1 B14R2.8239 c1cc(=O)oc2c1cc(c(c2)O)O A15393 [0,0,0,0,0,0|3,0,1]=4 2 B14R2.8239 c1cc2c(cc1Cl)[nH]c(=O)c(=O)[nH]2 L14038 [0,0,0,0,0,0|2,0,1]=3 3 B13R2.155 Cc1ccc2ccc(cc2c1)C B21704 [1,0,0,0,0,0|2,0,0]=3 4 B13R2.155 c1cc(cc2c1ccc(=O)o2)O L04082 [1,0,0,0,0,0|2,0,0]=3 5 B13R2.155 c1cc(cc2c1ccc(c2)Br)Br H56097 [1,0,0,0,0,0|3,0,0]=4 6 B13R2.155 c1cc(cc2c1ccc(c2)O)O A10229 [1,0,0,0,0,0|2,0,1]=4 7 B13R2.155 c1cc2c(cc1Br)NC(=O)CO2 H27493 [1,0,0,0,0,0|2,0,1]=4 8 B13R2.155 c1cc2c(cc1Br)NC(=O)CS2 H61077 [1,0,0,0,0,0|2,0,1]=4 9 B13R2.155 c1cc2c(cc1O)NC(=O)CC2 H27485 [1,0,0,0,0,0|1,0,2]=4 10 B13R2.369 CC1C(=O)Nc2ccccc2O1 H61075 [1,0,0,0,0,0|2,0,1]=4 11 B13R2.369 CC1C(=O)Nc2ccccc2S1 H61012 [1,0,0,0,0,0|2,0,1]=4 12 B13R2.369 Cc1c(=O)[nH]c2ccccc2n1 H51733 [1,0,0,0,0,0|2,0,0]=3 13 B13R2.369 Cc1cc2ccccc2cc1C L08386 [1,0,0,0,0,0|3,0,0]=4 14 B13R2.369 Cc1cc2ccccc2nc1Cl H50492 [1,0,0,0,0,0|2,0,1]=4 15 B13R2.369 c1ccc2c(c1)cc(c(=O)o2)Cl H27494 [1,0,0,0,0,0|2,0,0]=3 16 B13R2.369 c1ccc2c(c1)cc(c(=O)o2)N L14031 [1,0,0,0,0,0|2,0,0]=3 17 B13R2.369 c1ccc2c(c1)nc(c(n2)O)O L07581 [1,0,0,0,0,0|1,0,2]=4 18 B13R2.369 c1ccc2cc(c(cc2c1)N)N A12993 [1,0,0,0,0,0|3,0,0]=4 19 B13R2.369 c1ccc2cc(c(cc2c1)N)O B24570 [1,0,0,0,0,0|2,0,0]=3 20 B13R2.369 c1ccc2cc(c(cc2c1)O)O A11307 [1,0,0,0,0,0|1,0,1]=3 21 B13R2.3683 Cc1ccc2c(c1)ccc(=O)o2 A19382 [1,0,0,0,0,0|2,0,1]=4 22 B13R2.3683 Cc1ccc2c(c1)ccc(n2)C B23934 [1,0,0,0,0,0|3,0,0]=4 23 B13R2.3683 Cc1ccc2cc(ccc2n1)Br H27447 [1,0,0,0,0,0|3,0,0]=4 24 B13R2.3683 Cc1ccc2cc(ccc2n1)F A11469 [1,0,0,0,0,0|3,0,0]=4 25 B13R2.3683 Cc1ccc2cc(ccc2n1)N A13967 [1,0,0,0,0,0|3,0,0]=4 26 B13R2.3683 Cc1ccc2cc(ccc2n1)O A18846 [1,0,0,0,0,0|2,0,0]=3 27 B13R2.3683 c1cc(cc2c1cc(cc2)Br)Br L16134 [1,0,0,0,0,0|3,0,0]=4 28 B13R2.3683 c1cc(cc2c1cc(cc2)Br)O A18535 [1,0,0,0,0,0|2,0,0]=3 29 B13R2.3683 c1cc(cc2c1cc(cc2)O)O B21465 [1,0,0,0,0,0|2,0,0]=3 30 B13R1.511 CC(=O)\C=C\c1ccc(c(c1)O)O H25901 [0,0,1,0,0,0|2,0,1]=4 31 B13R2.3028 Cc1ccc2c(c1)C(=O)C(=O)N2 L08009 [0,0,0,0,1,0|1,0,1]=3 32 B13R2.3028 c1cc2c(cc1Br)C(=O)C(=O)N2 A13641 [0,0,0,0,1,0|2,0,1]=4 33 B13R2.3028 c1cc2c(cc1Cl)C(=O)C(=O)N2 A13125 [0,0,0,0,1,0|2,0,1]=4 34 B13R2.3028 c1cc2c(cc1F)C(=O)C(=O)N2 B20831 [0,0,0,0,1,0|2,0,1]=4 35 B13R2.3028 c1cc2c(cc1I)C(=O)C(=O)N2 A14988 [0,0,0,0,1,0|2,0,1]=4 36 B12R1.21 CC(=O)\C=C\c1ccc(cc1)Cl L05321 [1,0,1,0,0,0|2,0,0]=4 37 B12R1.21 CC(=O)\C=C\c1ccc(cc1)O A17605 [1,0,1,0,0,0|2,0,0]=4 38 B12R1.21 Cc1ccc(cc1)\C=C\C(=O)O A13337 [1,0,1,0,0,0|1,0,0]=3 39 B12R1.21 Cc1ccc(cc1)\C=C\[N+](=O)[O-] A14721 [1,0,1,0,0,0|2,0,0]=4 40 B12R1.21 c1cc(ccc1\C=C\C(=O)N)Cl L11406 [1,0,1,0,0,0|1,0,0]=3 41 B12R1.21 c1cc(ccc1\C=C\C(=O)O)Br A11503 [1,0,1,0,0,0|2,0,0]=4 42 B12R1.21 c1cc(ccc1\C=C\C(=O)O)Cl A15304 [1,0,1,0,0,0|2,0,0]=4 43 B12R1.21 c1cc(ccc1\C=C\C(=O)O)F A16707 [1,0,1,0,0,0|2,0,0]=4 44 B12R1.21 c1cc(ccc1\C=C\C(=O)O)O A15167 [1,0,1,0,0,0|2,0,0]=4 45 B12R1.43 CC(=C)C(=O)Oc1ccccc1 L11978 [1,0,1,0,0,0|2,0,0]=4 46 B12R1.43 C\C(=C/c1ccccc1)\C(=O)O L00806 [1,0,1,0,0,0|2,0,0]=4 47 B12R1.226 Cc1cccc(c1)\C=C\C(=O)O B20914 [1,0,1,0,0,0|2,0,0]=4 48 B12R1.127 Cc1ccc(c(c1)CC(=O)O)C L02022 [1,0,1,0,0,0|1,0,1]=4 49 B12R1.127 Cc1ccc(c(c1)CC(=O)O)F H26482 [1,0,1,0,0,0|2,0,0]=4 50 B12R1.127 Cc1ccc(c(c1)NC(=O)C)O B20630 [1,0,1,0,0,0|1,0,1]=4 51 B12R1.233 Cc1ccc(c(c1)C)CC(=O)O H50284 [1,0,1,0,0,0|1,0,1]=4 52 B12R1.233 Cc1ccc(c(c1)F)CC(=O)O H26647 [1,0,1,0,0,0|1,0,1]=4 53 B12R2.24 Cc1cc2ccccc2nc1 A13109 [2,0,0,0,0,0|1,0,1]=4 54 B12R2.24 Cc1ccc2c(c1)cccn2 B21892 [2,0,0,0,0,0|2,0,0]=4 55 B12R2.24 Cc1ccc2c(c1)nccn2 L11090 [2,0,0,0,0,0|1,0,1]=4 56 B12R2.24 Cc1ccc2ccccc2c1 L02459 [2,0,0,0,0,0|1,0,0]=3 57 B12R2.24 Cc1ccc2ccccc2n1 A13412 [2,0,0,0,0,0|1,0,1]=4 58 B12R2.24 Cc1ccc2cccnc2c1 42475 [2,0,0,0,0,0|0,0,1]=3 59 B12R2.24 Cc1ccc2cccnc2n1 H34032 [2,0,0,0,0,0|1,0,1]=4 60 B12R2.24 c1cc(=O)[nH]c2c1cncc2 H50121 [2,0,0,0,0,0|1,0,0]=3 61 B12R2.24 c1cc(cc2c1ccnc2)O L17067 [2,0,0,0,0,0|2,0,0]=4 62 B12R2.24 c1cc2ccc(cc2nc1)Br H63987 [2,0,0,0,0,0|1,0,1]=4 63 B12R2.24 c1ccc2c(c1)CCC(=O)N2 H36638 [2,0,0,0,0,0|0,0,2]=4 64 B12R2.24 c1ccc2c(c1)CNC(=O)N2 L07763 [2,0,0,0,0,0|1,0,1]=4 65 B12R2.24 c1ccc2c(c1)NC(=O)CO2 H27622 [2,0,0,0,0,0|1,0,1]=4 66 B12R2.24 c1ccc2c(c1)NC(=O)CS2 A11091 [2,0,0,0,0,0|1,0,1]=4 67 B12R2.24 c1ccc2c(c1)cc(cn2)Br A14573 [2,0,0,0,0,0|1,0,1]=4 68 B12R2.24 c1ccc2c(c1)cc(cn2)N A16592 [2,0,0,0,0,0|1,0,1]=4 69 B12R2.24 c1ccc2c(c1)cc(cn2)[Zn+] H58426 [2,0,0,0,0,0|1,0,1]=4 70 B12R2.24 c1ccc2c(c1)ccc(=O)o2 A15336 [2,0,0,0,0,0|1,0,0]=3 71 B12R2.24 c1ccc2c(c1)ccc(n2)Br H27302 [2,0,0,0,0,0|1,0,1]=4 72 B12R2.24 c1ccc2c(c1)ccc(n2)Cl B23443 [2,0,0,0,0,0|1,0,1]=4 73 B12R2.24 c1ccc2c(c1)ccc(n2)O B23064 [2,0,0,0,0,0|0,0,2]=4 74 B12R2.24 c1ccc2c(c1)ccc(n2)S H55749 [2,0,0,0,0,0|0,1,1]=4 75 B12R2.24 c1ccc2cc(ccc2c1)Br A15300 [2,0,0,0,0,0|2,0,0]=4 76 B12R2.24 c1ccc2cc(ccc2c1)O A14564 [2,0,0,0,0,0|1,0,0]=3 77 B12R2.24 c1ccc2cc(ccc2c1)[Mg+] H51160 [2,0,0,0,0,0|2,0,0]=4 78 B12R2.24 c1ccc2cnc(cc2c1)O L19428 [2,0,0,0,0,0|2,0,0]=4 79 B14R2.134 COc1ccc2ccc(=O)oc2c1 A15441 [1,1,0,0,0,0|1,0,0]=3 80 B14R2.29365 Cc1cc(=O)oc2c1ccc(c2)N A15017 [1,1,0,0,0,0|2,0,0]=4 81 B14R2.29365 Cc1cc(=O)oc2c1ccc(c2)O A10337 [1,1,0,0,0,0|2,0,0]=4 82 B14R2.1128 c1ccc2c(c1)[nH]c(=O)c(n2)CBr H27169 [1,1,0,0,0,0|2,0,0]=4 83 B14R2.1128 c1ccc2c(c1)cc(c(=O)[nH]2)C=O H33508 [1,1,0,0,0,0|0,0,1]=3 84 B14R2.1128 c1ccc2c(c1)cc(c(=O)o2)C#N H27871 [1,1,0,0,0,0|2,0,0]=4 85 B14R2.2332 COc1ccc2cc(ccc2c1)Br A19450 [1,1,0,0,0,0|2,0,0]=4 86 B14R2.2332 COc1ccc2cc(ccc2c1)[Mg+] H54076 [1,1,0,0,0,0|2,0,0]=4 87 B14R2.2332 Cc1ccc2cc(ccc2n1)CO H63846 [1,1,0,0,0,0|2,0,0]=4 88 B14R2.2332 Cc1ccc2cc(ccc2n1)OC B22199 [1,1,0,0,0,0|2,0,0]=4 89 B14R2.3274 COc1ccc2c(c1)C(=O)C(=O)N2 B22742 [0,1,0,0,1,0|1,0,1]=4 90 B14R2.9184 Cc1cc(c2c(c1)C(=O)C(=O)N2)C L11332 [0,1,0,0,1,0|1,0,1]=4 91 B12R1.20 Cc1ccc(cc1)[C@H](C(=O)O)O H25953 [0,0,1,0,1,0|1,0,1]=4 92 B12R2.132 Cc1ccc2c(c1)C(=O)CC2 L17559 [1,0,0,0,1,0|0,0,2]=4 93 B12R2.132 Cc1ccc2c(c1)c(cs2)C B20768 [1,0,0,0,1,0|2,0,0]=4 94 B12R2.606 Cc1ccc2c(c1)[nH]c(=S)o2 B20515 [1,0,0,0,1,0|1,1,0]=4 95 B12R2.606 c1cc2c(cc1Br)NC(=O)C2 H56012 [1,0,0,0,1,0|1,0,1]=4 96 B12R2.606 c1cc2c(cc1Cl)NC(=O)C2 A19674 [1,0,0,0,1,0|1,0,1]=4 97 B12R2.606 c1cc2c(cc1Cl)[nH]c(=O)o2 B24507 [1,0,0,0,1,0|2,0,0]=4 98 B12R2.18 CC1c2ccccc2NC1=O H27662 [1,0,0,0,1,0|1,0,1]=4 99 B12R2.18 Cc1c([nH]c2c1cccc2)C A18504 [1,0,0,0,1,0|2,0,0]=4 100 B12R2.18 c1ccc2c(c1)C(=O)C(=O)N2 A12468 [1,0,0,0,1,0|0,0,1]=3