0 B17R2.44983 C=C(C)c1ccc2cc(ccc2c1)B(O)O 271570a_100000694244_100010152634 [0,0,0,0,0,0|3,0,1]=4 1 B17R2.44983 C=C(C)c1ccc2cc(ccc2c1)C(=O)C 271570a_100000694244_100012339427 [0,0,0,0,0,0|3,0,0]=3 2 B17R2.44983 CC(=O)c1ccc2cc(ccc2c1)N(C)C 1458a_100010423048_200000210301 [0,0,0,0,0,0|4,0,0]=4 3 B17R2.44983 CN(C)c1ccc2cc(ccc2c1)C(=O)[13CH3] 1458a_100010423048_200025704644 [0,0,0,0,0,0|4,0,0]=4 4 B16R2.7486 C=C(C)c1ccc2cc(ccc2c1)C=O 271570a_100000694244_100012356508 [1,0,0,0,0,0|2,0,0]=3 5 B16R2.7486 C=C(C)c1ccc2cc(ccc2c1)CO 271570a_100000694244_100012356509 [1,0,0,0,0,0|2,0,1]=4 6 B16R2.7486 C=C(C)c1ccc2cc(ccc2n1)C=O 271570a_100000694244_100000087602 [1,0,0,0,0,0|3,0,0]=4 7 B16R2.7486 C=C(C)c1cnc2cc(ccc2c1)C=O 271570a_100000694244_100010114372 [1,0,0,0,0,0|3,0,0]=4 8 B16R2.7486 C=Cc1ccc2cc(ccc2c1)B(O)O 271570a_100011290941_100010152634 [1,0,0,0,0,0|2,0,1]=4 9 B16R2.7486 C=Cc1ccc2cc(ccc2c1)C(=O)C 271570a_100011290941_100012339427 [1,0,0,0,0,0|2,0,0]=3 10 B16R2.7486 CC(=O)c1ccc2cc(ccc2c1)O[13CH3] 34a_100000074906_200025704644 [1,0,0,0,0,0|3,0,0]=4 11 B16R2.7486 CC(=O)c1ccc2cc(ccc2c1)O[13CH3] 7a_100000074906_200025704644 [1,0,0,0,0,0|3,0,0]=4 12 B16R2.7486 CC(=O)c1ccc2cc(ccc2c1)S[13CH3] 62a_100012339427_200025704644 [1,0,0,0,0,0|3,0,0]=4 13 B16R2.7486 CC(=O)c1ccc2cc(ccc2c1)S[13CH3] 62a_200025704644_100012339427 [1,0,0,0,0,0|3,0,0]=4 14 B16R2.7486 COc1ccc2cc(ccc2c1)C(=O)C 1458a_100000189627_200000210301 [1,0,0,0,0,0|3,0,0]=4 15 B16R2.7486 COc1ccc2cc(ccc2c1)C(=O)C 34a_100000074906_200000210301 [1,0,0,0,0,0|3,0,0]=4 16 B16R2.7486 COc1ccc2cc(ccc2c1)C(=O)C 7a_100000074906_200000210301 [1,0,0,0,0,0|3,0,0]=4 17 B16R2.7486 COc1ccc2cc(ccc2c1)C(=O)[13CH3] 1458a_100000189627_200025704644 [1,0,0,0,0,0|3,0,0]=4 18 B16R2.7486 CSc1ccc2cc(ccc2c1)C(=O)C 62a_100012339427_200000210301 [1,0,0,0,0,0|3,0,0]=4 19 B16R2.7486 CSc1ccc2cc(ccc2c1)C(=O)C 62a_200000210301_100012339427 [1,0,0,0,0,0|3,0,0]=4 20 B18R2.96128 C=C(C)c1ccc2cc(ccc2c1)C(=O)OC 271570a_100000694244_100011218122 [0,1,0,0,0,0|2,0,0]=3 21 B18R2.96128 C=C(C)c1ccc2cc(ccc2n1)C(=O)OC 271570a_100000694244_100000047742 [0,1,0,0,0,0|3,0,0]=4 22 B18R2.96128 C=C(C)c1ccc2cc(cnc2c1)C(=O)OC 271570a_100000694244_100010209555 [0,1,0,0,0,0|3,0,0]=4 23 B18R2.96128 C=C(C)c1ccc2nc(ccc2c1)C(=O)OC 271570a_100000694244_100012354044 [0,1,0,0,0,0|3,0,0]=4 24 B18R2.96128 COC(=O)c1ccc2cc(ccc2c1)C(=O)C 1458a_100020630932_200000210301 [0,1,0,0,0,0|1,0,0]=2 25 B18R2.96128 COC(=O)c1ccc2cc(ccc2c1)C(=O)[13CH3] 1458a_100020630932_200025704644 [0,1,0,0,0,0|1,0,0]=2 26 B18R2.100877 CC(=O)Nc1ccc2cc(ccc2c1)[N+](=O)[O-] 11a_100016126453_100015343762 [0,0,0,0,0,1|2,0,1]=4 27 B18R2.100877 CC(=O)Nc1ccc2cc(ccc2c1)[N+](=O)[O-] 1626a_100016126453_100015343762 [0,0,0,0,0,1|2,0,1]=4 28 B18R2.100877 CC(=O)Nc1ccc2cc(ccc2c1)[N+](=O)[O-] 22a_100016126453_100000070787 [0,0,0,0,0,1|2,0,1]=4 29 B18R2.100877 CC(=O)Nc1ccc2cc(ccc2c1)[N+](=O)[O-] 527a_100016126453_100103153847 [0,0,0,0,0,1|2,0,1]=4 30 B18R2.100877 CC(=O)c1ccc2cc(ccc2c1)C=C(C)C 271570a_100102525489_100012339427 [0,0,0,0,0,1|3,0,0]=4 31 B15R2.4780 C=Cc1ccc2cc(ccc2c1)C=O 271570a_100011290941_100012356508 [2,0,0,0,0,0|1,0,0]=3 32 B15R2.4780 C=Cc1ccc2cc(ccc2c1)CO 271570a_100011290941_100012356509 [2,0,0,0,0,0|1,0,1]=4 33 B15R2.4780 C=Cc1ccc2cc(ccc2n1)C=O 271570a_100011290941_100000087602 [2,0,0,0,0,0|2,0,0]=4 34 B15R2.4780 C=Cc1cnc2cc(ccc2c1)C=O 271570a_100011290941_100010114372 [2,0,0,0,0,0|2,0,0]=4 35 B15R2.4780 CSc1ccc2cc(ccc2c1)C=O 62a_100012356508_200000210301 [2,0,0,0,0,0|2,0,0]=4 36 B15R2.4780 CSc1ccc2cc(ccc2c1)C=O 62a_200000210301_100012356508 [2,0,0,0,0,0|2,0,0]=4 37 B15R2.4780 [13CH3]Sc1ccc2cc(ccc2c1)C=O 62a_100012356508_200025704644 [2,0,0,0,0,0|2,0,0]=4 38 B15R2.4780 [13CH3]Sc1ccc2cc(ccc2c1)C=O 62a_200025704644_100012356508 [2,0,0,0,0,0|2,0,0]=4 39 B15R2.7180 C=C(C)c1ccc2cc(ccc2c1)O 271570a_100000694244_100000185455 [2,0,0,0,0,0|2,0,0]=4 40 B15R2.7180 CC(=O)c1ccc2cc(ccc2c1)Br 1458a_100000759775_200000210301 [2,0,0,0,0,0|2,0,0]=4 41 B15R2.7180 CC(=O)c1ccc2cc(ccc2c1)Cl 1458a_200010245464_200000210301 [2,0,0,0,0,0|2,0,0]=4 42 B15R2.7180 CC(=O)c1ccc2cc(ccc2c1)F 1458a_200000042716_200000210301 [2,0,0,0,0,0|2,0,0]=4 43 B15R2.7180 CC(=O)c1ccc2cc(ccc2c1)O 271570a_203496583355_100012339427 [2,0,0,0,0,0|1,0,0]=3 44 B15R2.7180 CC(=O)c1ccc2nc(ccc2c1)O 1458a_100015838258_200000210301 [2,0,0,0,0,0|2,0,0]=4 45 B15R2.7180 CC(=O)c1ccc2oc(=O)ccc2c1 1458a_200000082590_200000210301 [2,0,0,0,0,0|2,0,0]=4 46 B15R2.7180 OB(O)c1ccc2cc(ccc2c1)O 271570a_203496583355_100010152634 [2,0,0,0,0,0|1,0,1]=4 47 B15R2.7180 [13CH3]C(=O)c1ccc2cc(ccc2c1)Br 1458a_100000759775_200025704644 [2,0,0,0,0,0|2,0,0]=4 48 B15R2.7180 [13CH3]C(=O)c1ccc2cc(ccc2c1)Cl 1458a_200010245464_200025704644 [2,0,0,0,0,0|2,0,0]=4 49 B15R2.7180 [13CH3]C(=O)c1ccc2cc(ccc2c1)F 1458a_200000042716_200025704644 [2,0,0,0,0,0|2,0,0]=4 50 B15R2.7180 [13CH3]C(=O)c1ccc2nc(ccc2c1)O 1458a_100015838258_200025704644 [2,0,0,0,0,0|2,0,0]=4 51 B15R2.7180 [13CH3]C(=O)c1ccc2oc(=O)ccc2c1 1458a_200000082590_200025704644 [2,0,0,0,0,0|2,0,0]=4 52 B17R2.11734 C=Cc1ccc2cc(ccc2c1)C(=O)OC 271570a_100011290941_100011218122 [1,1,0,0,0,0|1,0,0]=3 53 B17R2.11734 C=Cc1ccc2cc(ccc2n1)C(=O)OC 271570a_100011290941_100000047742 [1,1,0,0,0,0|2,0,0]=4 54 B17R2.11734 C=Cc1ccc2cc(cnc2c1)C(=O)OC 271570a_100011290941_100010209555 [1,1,0,0,0,0|2,0,0]=4 55 B17R2.11734 C=Cc1ccc2nc(ccc2c1)C(=O)OC 271570a_100011290941_100012354044 [1,1,0,0,0,0|2,0,0]=4 56 B17R2.11734 COC(=O)c1ccc2cc(ccc2c1)OC 34a_100000026998_200000210301 [1,1,0,0,0,0|2,0,0]=4 57 B17R2.11734 COC(=O)c1ccc2cc(ccc2c1)OC 7a_100000026998_200000210301 [1,1,0,0,0,0|2,0,0]=4 58 B17R2.11734 COC(=O)c1ccc2cc(ccc2c1)O[13CH3] 34a_100000026998_200025704644 [1,1,0,0,0,0|2,0,0]=4 59 B17R2.11734 COC(=O)c1ccc2cc(ccc2c1)O[13CH3] 7a_100000026998_200025704644 [1,1,0,0,0,0|2,0,0]=4 60 B17R2.11734 COC(=O)c1ccc2cc(ccc2c1)SC 62a_100011218122_200000210301 [1,1,0,0,0,0|2,0,0]=4 61 B17R2.11734 COC(=O)c1ccc2cc(ccc2c1)SC 62a_200000210301_100011218122 [1,1,0,0,0,0|2,0,0]=4 62 B17R2.11734 COC(=O)c1ccc2cc(ccc2c1)S[13CH3] 62a_100011218122_200025704644 [1,1,0,0,0,0|2,0,0]=4 63 B17R2.11734 COC(=O)c1ccc2cc(ccc2c1)S[13CH3] 62a_200025704644_100011218122 [1,1,0,0,0,0|2,0,0]=4 64 B17R2.46634 C=C=Cc1ccc2cc(ccc2c1)C(=O)C 271570a_100015277604_100012339427 [1,1,0,0,0,0|2,0,0]=4 65 B17R2.46634 CC=Cc1ccc2cc(ccc2c1)C(=O)C 271570a_100016259895_100012339427 [1,1,0,0,0,0|2,0,0]=4 66 B19R2.155654 CNC(=O)c1ccc2cc(ccc2c1)OC(=O)C 11a_106832991635_100000012188 [0,1,0,0,0,1|2,0,0]=4 67 B19R2.155654 CNC(=O)c1ccc2cc(ccc2c1)OC(=O)C 1626a_100102657272_100000012188 [0,1,0,0,0,1|2,0,0]=4 68 B19R2.155654 CNC(=O)c1ccc2cc(ccc2c1)OC(=O)C 240690a_100102657272_100000012188 [0,1,0,0,0,1|2,0,0]=4 69 B19R2.155654 COC(=O)c1ccc2cc(ccc2c1)C=C(C)C 271570a_100102525489_100011218122 [0,1,0,0,0,1|2,0,0]=4 70 B19R2.155654 COC(=O)c1ccc2cc(ccc2c1)NC(=O)C 188690a_100000068172_100015343762 [0,1,0,0,0,1|1,0,0]=3 71 B19R2.246414 O=C(CO)Nc1ccc2cc(ccc2c1)[N+](=O)[O-] 22a_100016126453_100000210174 [0,1,0,0,0,1|1,0,1]=4 72 B19R2.246414 O=C(CO)Nc1ccc2cc(ccc2c1)[N+](=O)[O-] 527a_100016126453_100000210174 [0,1,0,0,0,1|1,0,1]=4 73 B19R2.131380 C=C(C)c1ccc2cc(ccc2c1)C(=O)OCC 271570a_100000694244_100012350494 [0,2,0,0,0,0|2,0,0]=4 74 B19R2.155651 CCC(=O)c1ccc2cc(ccc2c1)C(=O)OC 1458a_100020630932_100000210202 [0,2,0,0,0,0|1,0,0]=3 75 B19R2.155651 CNC(=O)c1ccc2cc(ccc2c1)C(=O)OC 11a_106832991635_100020630932 [0,2,0,0,0,0|1,0,0]=3 76 B19R2.155651 CNC(=O)c1ccc2cc(ccc2c1)C(=O)OC 1626a_100102657272_100020630932 [0,2,0,0,0,0|1,0,0]=3 77 B19R2.155651 CNC(=O)c1ccc2cc(ccc2c1)C(=O)OC 240690a_100102657272_100020630932 [0,2,0,0,0,0|1,0,0]=3 78 B19R2.155651 CNC(=O)c1ccc2cc(ccc2c1)C(=O)OC 527a_100102657272_100020630932 [0,2,0,0,0,0|1,0,0]=3 79 B19R2.155651 COC(=O)c1ccc2cc(ccc2c1)C(=O)CF 1458a_100020630932_100015361967 [0,2,0,0,0,0|1,0,0]=3 80 B17R2.11737 CC(=Cc1ccc2cc(ccc2c1)C=O)C 271570a_100102525489_100012356508 [1,0,0,0,0,1|2,0,0]=4 81 B19R2.513601 CC(=O)c1ccc2cc(ccc2c1)OCC(=O)N 34a_100000074906_100000187820 [0,0,0,0,0,2|2,0,0]=4 82 B19R2.513601 CC(=O)c1ccc2cc(ccc2c1)OCC(=O)N 7a_100000074906_100000187820 [0,0,0,0,0,2|2,0,0]=4 83 B19R2.513601 CC(=O)c1ccc2cc(ccc2c1)OCC(=O)[O-] 34a_100000074906_100020667443 [0,0,0,0,0,2|1,0,1]=4 84 B19R2.513601 CC(=O)c1ccc2cc(ccc2c1)SCC(=O)N 62a_100000747473_100012339427 [0,0,0,0,0,2|2,0,0]=4 85 B19R2.513601 CC(=O)c1ccc2cc(ccc2c1)SCC(=O)N 62a_100012339427_100000747473 [0,0,0,0,0,2|2,0,0]=4 86 B19R2.513601 CC(=O)c1ccc2cc(ccc2c1)SCC(=O)[O-] 62a_100012339427_100020667443 [0,0,0,0,0,2|1,0,1]=4 87 B19R2.513601 CC(=O)c1ccc2cc(ccc2c1)SCC(=O)[O-] 62a_100020667443_100012339427 [0,0,0,0,0,2|1,0,1]=4