0 B19R2.26028 CC(=O)c1ccc(o1)SCc2cccc(n2)CO 62a_100009813551_100000229899 [0,0,0,0,0,0|3,0,1]=4 1 B19R2.26028 CCc1cccc(c1)NCc2ccc(o2)[N+](=O)[O-] 34a_100000211250_200011215689 [0,0,0,0,0,0|3,0,1]=4 2 B19R2.26028 CCc1cccc(c1)NCc2ccc(o2)[N+](=O)[O-] 7a_100000211250_200011215689 [0,0,0,0,0,0|3,0,1]=4 3 B19R2.26028 CCc1cccc(c1)OCc2ccc(o2)[N+](=O)[O-] 34a_100000211550_200011215689 [0,0,0,0,0,0|3,0,1]=4 4 B19R2.26028 CCc1cccc(c1)OCc2ccc(o2)[N+](=O)[O-] 7a_100000211550_200011215689 [0,0,0,0,0,0|3,0,1]=4 5 B19R2.26028 NCc1cccc(c1)OCc2ccc(o2)[N+](=O)[O-] 34a_100000743036_200011215689 [0,0,0,0,0,0|3,0,1]=4 6 B19R2.26028 O=[N+]([O-])c1ccc(o1)CNc2cccc(c2)CF 34a_100000126320_200011215689 [0,0,0,0,0,0|3,0,1]=4 7 B19R2.26028 O=[N+]([O-])c1ccc(o1)CNc2cccc(c2)CF 7a_100000126320_200011215689 [0,0,0,0,0,0|3,0,1]=4 8 B19R2.26028 O=[N+]([O-])c1ccc(o1)CNc2cccc(c2)CO 34a_100000211919_200011215689 [0,0,0,0,0,0|2,0,1]=3 9 B19R2.26028 O=[N+]([O-])c1ccc(o1)COc2cccc(c2)CBr 34a_100011660834_200011215689 [0,0,0,0,0,0|3,0,1]=4 10 B19R2.26028 O=[N+]([O-])c1ccc(o1)COc2cccc(c2)CBr 7a_100011660834_200011215689 [0,0,0,0,0,0|3,0,1]=4 11 B19R2.26028 O=[N+]([O-])c1ccc(o1)COc2cccc(c2)CCl 34a_100000084143_200011215689 [0,0,0,0,0,0|3,0,1]=4 12 B19R2.26028 O=[N+]([O-])c1ccc(o1)COc2cccc(c2)CCl 7a_100000084143_200011215689 [0,0,0,0,0,0|3,0,1]=4 13 B19R2.26028 O=[N+]([O-])c1ccc(o1)COc2cccc(c2)CO 34a_100011214949_200011215689 [0,0,0,0,0,0|2,0,1]=3 14 B19R2.26028 O=[N+]([O-])c1ccc(o1)COc2cccc(c2)CO 7a_100011214949_200011215689 [0,0,0,0,0,0|2,0,1]=3 15 B19R2.26028 O=[N+]([O-])c1ccc(s1)CNc2cccc(c2)CO 2230a_100000211919_200010296502 [0,0,0,0,0,0|2,1,1]=4 16 B19R2.26028 O=[N+]([O-])c1ccc(s1)CNc2cccc(c2)CO 34a_100000211919_200010296502 [0,0,0,0,0,0|2,1,1]=4 17 B19R2.26028 O=[N+]([O-])c1ccc(s1)COc2cccc(c2)CO 34a_100011214949_200010296502 [0,0,0,0,0,0|2,1,1]=4 18 B19R2.26028 O=[N+]([O-])c1ccc(s1)COc2cccc(c2)CO 7a_100011214949_200010296502 [0,0,0,0,0,0|2,1,1]=4 19 B18R2.17562 O=Cc1ccc(o1)CSc2cccc(n2)CO 62a_100000694195_200000079136 [1,0,0,0,0,0|2,0,1]=4 20 B18R2.17562 O=Cc1ccc(o1)SCc2cccc(n2)CO 62a_100009813551_100000186757 [1,0,0,0,0,0|2,0,1]=4 21 B18R2.31059 CC(=O)c1ccc(o1)C=Cc2cccc(c2)C 271570a_200135466880_100000229899 [1,0,0,0,0,0|3,0,0]=4 22 B18R2.31059 Cc1cccc(c1)NCc2ccc(o2)[N+](=O)[O-] 34a_100000188690_200011215689 [1,0,0,0,0,0|2,0,1]=4 23 B18R2.31059 Cc1cccc(c1)OCc2ccc(o2)[N+](=O)[O-] 34a_100000210337_200011215689 [1,0,0,0,0,0|2,0,1]=4 24 B18R2.31059 Cc1cccc(c1)OCc2ccc(o2)[N+](=O)[O-] 7a_100000210337_200011215689 [1,0,0,0,0,0|2,0,1]=4 25 B18R2.31059 O=[N+]([O-])c1ccc(o1)CNc2cccc(c2)O 34a_100000210217_200011215689 [1,0,0,0,0,0|2,0,1]=4 26 B18R2.31059 O=[N+]([O-])c1ccc(o1)COc2cccc(n2)F 34a_100011432558_200011215689 [1,0,0,0,0,0|2,0,1]=4 27 B20R2.9866 Nc1cc(cc(c1)OCc2ccc(o2)[N+](=O)[O-])CO 34a_200000124675_200011215689 [0,1,0,0,0,0|2,0,1]=4 28 B20R2.9866 O=[N+]([O-])c1ccc(o1)CNc2cc(cc(c2)CO)Cl 34a_100012002482_200011215689 [0,1,0,0,0,0|2,0,1]=4 29 B20R2.9866 O=[N+]([O-])c1ccc(o1)CNc2cc(cc(c2)CO)O 34a_200000124675_200011215689 [0,1,0,0,0,0|2,0,1]=4 30 B20R2.31063 Cc1ccc(cc1CO)OCc2ccc(o2)[N+](=O)[O-] 34a_100009878257_200011215689 [0,1,0,0,0,0|2,0,1]=4 31 B20R2.31063 Cc1ccc(cc1CO)OCc2ccc(o2)[N+](=O)[O-] 7a_100009878257_200011215689 [0,1,0,0,0,0|2,0,1]=4 32 B20R2.31063 O=[N+]([O-])c1ccc(o1)CNc2ccc(c(c2)CO)Br 34a_100012347228_200011215689 [0,1,0,0,0,0|2,0,1]=4 33 B20R2.31063 O=[N+]([O-])c1ccc(o1)CNc2ccc(c(c2)CO)Cl 34a_100011273577_200011215689 [0,1,0,0,0,0|2,0,1]=4 34 B20R2.31063 O=[N+]([O-])c1ccc(o1)CNc2ccc(c(c2)CO)F 34a_100011218011_200011215689 [0,1,0,0,0,0|2,0,1]=4 35 B20R2.31063 O=[N+]([O-])c1ccc(o1)COc2ccc(c(c2)CO)Br 34a_100012351483_200011215689 [0,1,0,0,0,0|2,0,1]=4 36 B20R2.31063 O=[N+]([O-])c1ccc(o1)COc2ccc(c(c2)CO)Br 7a_100012351483_200011215689 [0,1,0,0,0,0|2,0,1]=4 37 B20R2.31063 O=[N+]([O-])c1ccc(o1)COc2ccc(c(c2)CO)Cl 34a_100000091669_200011215689 [0,1,0,0,0,0|2,0,1]=4 38 B20R2.31063 O=[N+]([O-])c1ccc(o1)COc2ccc(c(c2)CO)Cl 7a_100000091669_200011215689 [0,1,0,0,0,0|2,0,1]=4 39 B20R2.38599 Cc1c(cccc1NCc2ccc(o2)[N+](=O)[O-])CO 34a_102495339961_200011215689 [0,1,0,0,0,0|2,0,1]=4 40 B20R2.38599 Cc1c(cccc1OCc2ccc(o2)[N+](=O)[O-])CO 34a_200000084602_200011215689 [0,1,0,0,0,0|2,0,1]=4 41 B20R2.38599 Cc1c(cccc1OCc2ccc(o2)[N+](=O)[O-])CO 7a_200000084602_200011215689 [0,1,0,0,0,0|2,0,1]=4 42 B20R2.38599 O=[N+]([O-])c1ccc(o1)CNc2cccc(c2F)CO 34a_100012023829_200011215689 [0,1,0,0,0,0|2,0,1]=4 43 B20R2.44313 Cc1ccc(cc1NCc2ccc(o2)[N+](=O)[O-])CO 34a_100000758420_200011215689 [0,1,0,0,0,0|2,0,1]=4 44 B20R2.44313 O=[N+]([O-])c1ccc(o1)CNc2cc(ccc2Br)CO 34a_100012347568_200011215689 [0,1,0,0,0,0|2,0,1]=4 45 B20R2.44313 O=[N+]([O-])c1ccc(o1)CNc2cc(ccc2Cl)CO 34a_106256033963_200011215689 [0,1,0,0,0,0|2,0,1]=4 46 B20R2.44313 O=[N+]([O-])c1ccc(o1)CNc2cc(ccc2F)CO 34a_102125399562_200011215689 [0,1,0,0,0,0|2,0,1]=4 47 B20R2.44313 O=[N+]([O-])c1ccc(o1)CNc2cc(ccc2O)CO 34a_100000123545_200011215689 [0,1,0,0,0,0|2,0,1]=4 48 B20R2.44313 O=[N+]([O-])c1ccc(o1)COc2cc(ccc2Br)CO 34a_100010191536_200011215689 [0,1,0,0,0,0|2,0,1]=4 49 B20R2.44313 O=[N+]([O-])c1ccc(o1)COc2cc(ccc2Br)CO 7a_100010191536_200011215689 [0,1,0,0,0,0|2,0,1]=4 50 B20R2.44313 O=[N+]([O-])c1ccc(o1)COc2cc(ccc2Cl)CO 34a_100009876509_200011215689 [0,1,0,0,0,0|2,0,1]=4 51 B20R2.44313 O=[N+]([O-])c1ccc(o1)COc2cc(ccc2Cl)CO 7a_100009876509_200011215689 [0,1,0,0,0,0|2,0,1]=4 52 B20R2.44313 O=[N+]([O-])c1ccc(o1)COc2cc(ccc2F)CO 34a_100009842347_200011215689 [0,1,0,0,0,0|2,0,1]=4 53 B20R2.44313 O=[N+]([O-])c1ccc(o1)COc2cc(ccc2F)CO 7a_100009842347_200011215689 [0,1,0,0,0,0|2,0,1]=4 54 B20R2.44313 O=[N+]([O-])c1ccc(o1)COc2cc(ccc2I)CO 34a_100000049605_200011215689 [0,1,0,0,0,0|2,0,1]=4 55 B20R2.44313 O=[N+]([O-])c1ccc(o1)COc2cc(ccc2I)CO 7a_100000049605_200011215689 [0,1,0,0,0,0|2,0,1]=4 56 B20R2.172763 CC(O)c1cccc(c1)NCc2ccc(o2)[N+](=O)[O-] 34a_100011217120_200011215689 [0,1,0,0,0,0|2,0,1]=4 57 B20R2.172763 CC(O)c1cccc(c1)OCc2ccc(o2)[N+](=O)[O-] 34a_100000748013_200011215689 [0,1,0,0,0,0|2,0,1]=4 58 B20R2.172763 CC(O)c1cccc(c1)OCc2ccc(o2)[N+](=O)[O-] 7a_100000748013_200011215689 [0,1,0,0,0,0|2,0,1]=4 59 B20R2.182370 COCc1cccc(c1)NCc2ccc(o2)[N+](=O)[O-] 34a_100000737370_200011215689 [0,1,0,0,0,0|2,0,1]=4 60 B20R2.182370 O=[N+]([O-])c1ccc(o1)CNc2cccc(c2)CCO 34a_100011996697_200011215689 [0,1,0,0,0,0|2,0,1]=4 61 B20R2.182370 O=[N+]([O-])c1ccc(o1)COc2cccc(c2)CCO 34a_100011215281_200011215689 [0,1,0,0,0,0|2,0,1]=4 62 B20R2.182370 O=[N+]([O-])c1ccc(o1)COc2cccc(c2)CCO 7a_100011215281_200011215689 [0,1,0,0,0,0|2,0,1]=4 63 B20R2.302340 CCc1cccc(c1)C(=O)Cc2ccc(o2)[N+](=O)[O-] 1458a_100011933908_200011215689 [0,1,0,0,0,0|2,0,1]=4 64 B20R2.302340 O=C(Cc1ccc(o1)[N+](=O)[O-])c2cccc(c2)CO 1458a_100000746274_200011215689 [0,1,0,0,0,0|1,0,1]=3 65 B20R2.302340 O=C(Cc1ccc(s1)[N+](=O)[O-])c2cccc(c2)CO 1458a_100000746274_200010296502 [0,1,0,0,0,0|1,1,1]=4 66 B18R1.169679 C=C[C@@H](CO)NC(=O)C=Cc1ccc(o1)[N+](=O)[O-] 240690a_100016989147_200000209887 [0,0,1,0,0,0|1,0,2]=4 67 B18R2.17731 CC(=O)c1ccc(o1)Sc2cccc(n2)CO 62a_100000694195_100000229899 [0,0,0,0,1,0|3,0,0]=4 68 B20R2.38417 COc1cccc(n1)NN=Cc2ccc(o2)[N+](=O)[O-] 4a_100000698482_100000182627 [0,0,0,0,0,1|3,0,0]=4 69 B20R2.38417 O=[N+]([O-])c1ccc(o1)CNCc2cccc(c2)CO 34a_100011269909_200011215689 [0,0,0,0,0,1|1,0,2]=4 70 B20R2.38417 O=[N+]([O-])c1ccc(o1)COCc2cccc(c2)CO 7a_100000238365_100010188025 [0,0,0,0,0,1|1,0,2]=4 71 B20R2.38417 O=[N+]([O-])c1ccc(o1)COCc2cccc(n2)CO 7a_100000238365_100009813551 [0,0,0,0,0,1|0,0,2]=3 72 B20R2.38417 O=[N+]([O-])c1ccc(s1)COCc2cccc(n2)CO 7a_100011997354_100009813551 [0,0,0,0,0,1|0,1,2]=4 73 B20R2.303128 O=[N+]([O-])c1ccc(cc1)CSc2cccc(n2)CO 62a_100000694195_100000184243 [0,0,0,0,0,1|2,0,1]=4 74 B20R2.303128 O=[N+]([O-])c1ccc(cc1)NCc2cccc(n2)CO 207a_100015195142_200000070131 [0,0,0,0,0,1|2,0,1]=4 75 B20R2.303128 O=[N+]([O-])c1ccc(cc1)NCc2cccc(n2)CO 2230a_100015195142_100009813551 [0,0,0,0,0,1|2,0,1]=4 76 B20R2.303128 O=[N+]([O-])c1ccc(cc1)NCc2cccc(n2)CO 34a_100015195142_100009813551 [0,0,0,0,0,1|2,0,1]=4 77 B20R2.303128 O=[N+]([O-])c1ccc(cc1)OCc2cccc(n2)CO 34a_100000185810_100009813551 [0,0,0,0,0,1|2,0,1]=4 78 B20R2.303128 O=[N+]([O-])c1ccc(cc1)OCc2cccc(n2)CO 7a_100000185810_100009813551 [0,0,0,0,0,1|2,0,1]=4 79 B20R2.303128 O=[N+]([O-])c1ccc(cn1)OCc2cccc(n2)CO 7a_100000060138_100009813551 [0,0,0,0,0,1|2,0,1]=4 80 B20R2.303147 O=[N+]([O-])c1cccc(c1)CSc2cccc(n2)CO 62a_100000187168_100000694195 [0,0,0,0,0,1|2,0,1]=4 81 B20R2.303147 O=[N+]([O-])c1cccc(c1)CSc2cccc(n2)CO 62a_100000694195_100000737091 [0,0,0,0,0,1|2,0,1]=4 82 B20R2.303147 O=[N+]([O-])c1cccc(c1)NCc2cccc(n2)CO 34a_100000184103_100009813551 [0,0,0,0,0,1|2,0,1]=4 83 B20R2.303147 O=[N+]([O-])c1cccc(c1)OCc2cccc(n2)CO 34a_100000185994_100009813551 [0,0,0,0,0,1|2,0,1]=4 84 B20R2.303147 O=[N+]([O-])c1cccc(c1)OCc2cccc(n2)CO 7a_100000185994_100009813551 [0,0,0,0,0,1|2,0,1]=4 85 B20R2.303147 O=[N+]([O-])c1ccnc(c1)CSc2cccc(n2)CO 62a_100000694195_100010177786 [0,0,0,0,0,1|2,0,1]=4 86 B20R2.303147 O=[N+]([O-])c1ccnc(c1)CSc2cccc(n2)CO 62a_100010177786_100000694195 [0,0,0,0,0,1|2,0,1]=4 87 B20R2.303147 O=[N+]([O-])c1cncc(c1)OCc2cccc(n2)CO 34a_100009862860_100009813551 [0,0,0,0,0,1|2,0,1]=4 88 B20R2.303147 O=[N+]([O-])c1cncc(c1)OCc2cccc(n2)CO 7a_100009862860_100009813551 [0,0,0,0,0,1|2,0,1]=4 89 B17R2.2522 Cc1cccc(c1)C=Cc2ccc(o2)C=O 271570a_200135466880_100000185145 [2,0,0,0,0,0|2,0,0]=4 90 B19R2.50827 Cc1ccc(c(n1)OCc2ccc(o2)[N+](=O)[O-])Br 34a_100009817604_200011215689 [1,1,0,0,0,0|1,0,1]=4 91 B19R2.50827 Cc1ccc(c(n1)OCc2ccc(o2)[N+](=O)[O-])N 34a_100000687486_200011215689 [1,1,0,0,0,0|1,0,1]=4 92 B19R2.101322 Cc1cccc(c1)C(=O)Cc2ccc(o2)[N+](=O)[O-] 1458a_100000189346_200011215689 [1,1,0,0,0,0|1,0,1]=4 93 B19R2.101322 O=C(Cc1ccc(o1)[N+](=O)[O-])c2cccc(c2)O 1458a_100000183914_200011215689 [1,1,0,0,0,0|1,0,1]=4 94 B19R2.150426 Cc1nc(ccc1Br)OCc2ccc(o2)[N+](=O)[O-] 34a_100000691680_200011215689 [1,1,0,0,0,0|1,0,1]=4 95 B19R2.150426 Cc1nc(ccc1Cl)OCc2ccc(o2)[N+](=O)[O-] 34a_200009863735_200011215689 [1,1,0,0,0,0|1,0,1]=4 96 B19R2.3257 Cc1c(cccc1[N+](=O)[O-])c2cccc(n2)CO 271570a_100000082460_100000694195 [0,0,1,1,0,0|1,0,1]=4 97 B19R2.3257 O=[N+]([O-])c1cccc(c1F)c2cccc(n2)CO 271570a_100010193819_100000694195 [0,0,1,1,0,0|2,0,0]=4 98 B19R2.293786 Nc1cc(cc(c1)[N+](=O)[O-])c2cccc(n2)CO 271570a_100010177510_100000694195 [0,0,1,1,0,0|2,0,0]=4 99 B19R2.293786 O=[N+]([O-])c1cc(cc(c1)c2cccc(n2)CO)F 271570a_100010392669_100000694195 [0,0,1,1,0,0|2,0,0]=4 100 B19R2.3214 CCc1cccc(n1)c2cc(ccc2[N+](=O)[O-])Cl 271570a_100010234739_100009856026 [0,0,1,1,0,0|2,0,0]=4 101 B19R2.3214 CCc1cccc(n1)c2cc(ccc2[N+](=O)[O-])F 271570a_100010096542_100009856026 [0,0,1,1,0,0|2,0,0]=4 102 B19R2.3214 CCc1cccc(n1)c2cc(ccc2[N+](=O)[O-])N 271570a_100000081482_100009856026 [0,0,1,1,0,0|2,0,0]=4 103 B19R2.3214 NCc1cccc(n1)c2cc(ccc2[N+](=O)[O-])Cl 271570a_100010234739_100016990191 [0,0,1,1,0,0|2,0,0]=4 104 B19R2.3214 NCc1cccc(n1)c2cc(ccc2[N+](=O)[O-])F 271570a_100010096542_100016990191 [0,0,1,1,0,0|2,0,0]=4 105 B19R2.3214 NCc1cccc(n1)c2cc(ccc2[N+](=O)[O-])N 271570a_100000081482_100016990191 [0,0,1,1,0,0|2,0,0]=4 106 B19R2.3214 Nc1ccc(c(c1)c2cccc(c2)CO)[N+](=O)[O-] 271570a_100000081482_100000687537 [0,0,1,1,0,0|2,0,0]=4 107 B19R2.3214 Nc1ccc(c(c1)c2cccc(n2)CO)[N+](=O)[O-] 271570a_100000081482_100000694195 [0,0,1,1,0,0|1,0,0]=3 108 B19R2.3214 Nc1ccc(c(c1)c2cncc(n2)CO)[N+](=O)[O-] 271570a_100000081482_100009853123 [0,0,1,1,0,0|2,0,0]=4 109 B19R2.3214 O=[N+]([O-])c1ccc(cc1c2cccc(c2)CO)Cl 271570a_100010234739_100000687537 [0,0,1,1,0,0|2,0,0]=4 110 B19R2.3214 O=[N+]([O-])c1ccc(cc1c2cccc(c2)CO)F 271570a_100010096542_100000687537 [0,0,1,1,0,0|2,0,0]=4 111 B19R2.3214 O=[N+]([O-])c1ccc(cc1c2cccc(n2)CO)Cl 271570a_100010234739_100000694195 [0,0,1,1,0,0|1,0,0]=3 112 B19R2.3214 O=[N+]([O-])c1ccc(cc1c2cccc(n2)CO)F 271570a_100010096542_100000694195 [0,0,1,1,0,0|1,0,0]=3 113 B19R2.3214 O=[N+]([O-])c1ccc(cc1c2cncc(n2)CO)Cl 271570a_100010234739_100009853123 [0,0,1,1,0,0|2,0,0]=4 114 B19R2.3214 O=[N+]([O-])c1ccc(cc1c2cncc(n2)CO)F 271570a_100010096542_100009853123 [0,0,1,1,0,0|2,0,0]=4 115 B17R2.11640 O=Cc1ccc(o1)Sc2cccc(n2)CO 62a_100000694195_100000186757 [1,0,0,0,1,0|2,0,0]=4 116 B19R2.48109 Cc1cccc(c1)NN=Cc2ccc(o2)[N+](=O)[O-] 4a_100000681630_100000182627 [1,0,0,0,0,1|2,0,0]=4 117 B19R2.48109 Cc1cccc(n1)CNCc2ccc(o2)[N+](=O)[O-] 34a_100000701342_200011215689 [1,0,0,0,0,1|0,0,2]=4 118 B19R2.48109 Cc1cccc(n1)COCc2ccc(o2)[N+](=O)[O-] 34a_100000690600_200011215689 [1,0,0,0,0,1|0,0,2]=4 119 B19R2.48109 Cc1cccc(n1)COCc2ccc(o2)[N+](=O)[O-] 7a_100000238365_100000757606 [1,0,0,0,0,1|0,0,2]=4 120 B19R2.48109 Cc1cccc(n1)NN=Cc2ccc(o2)[N+](=O)[O-] 4a_100011363444_100000182627 [1,0,0,0,0,1|1,0,0]=3 121 B19R2.48109 Cc1cccc(n1)NN=Cc2ccc(s2)[N+](=O)[O-] 4a_100011363444_100000766382 [1,0,0,0,0,1|1,1,0]=4 122 B19R2.48109 Cc1ccnc(n1)NN=Cc2ccc(o2)[N+](=O)[O-] 4a_100011780740_100000182627 [1,0,0,0,0,1|2,0,0]=4 123 B19R2.48109 O=[N+]([O-])c1ccc(o1)C=NNc2cccc(n2)Br 4a_100009817029_100000182627 [1,0,0,0,0,1|2,0,0]=4 124 B19R2.48109 O=[N+]([O-])c1ccc(o1)C=NNc2cccc(n2)Cl 4a_100102524919_100000182627 [1,0,0,0,0,1|2,0,0]=4 125 B19R2.48109 O=[N+]([O-])c1ccc(o1)C=NNc2cccc(n2)F 4a_100000075452_100000182627 [1,0,0,0,0,1|2,0,0]=4 126 B19R2.4979 O=[N+]([O-])c1ccc(o1)COc2ccc(nc2)CO 34a_103436540053_200011215689 [0,0,0,0,1,1|1,0,1]=4