0 B22R3.99536860 CCC(=O)Cn1c2ccccc2c(=O)c3c1cccc3 1458a_100000389867_100000210202 [0,1,0,0,0,0|1,0,0]=2 1 B22R3.99536860 CNC(=O)Cn1c2ccccc2c(=O)c3c1cccc3 11a_106832991635_100000389867 [0,1,0,0,0,0|1,0,0]=2 2 B22R3.99536860 CNC(=O)Cn1c2ccccc2c(=O)c3c1cccc3 1626a_100102657272_100000389867 [0,1,0,0,0,0|1,0,0]=2 3 B22R3.99536860 CNC(=O)Cn1c2ccccc2c(=O)c3c1cccc3 240690a_100102657272_100000389867 [0,1,0,0,0,0|1,0,0]=2 4 B22R3.99536860 CNC(=O)Cn1c2ccccc2c(=O)c3c1cccc3 527a_100102657272_100000389867 [0,1,0,0,0,0|1,0,0]=2 5 B22R3.99536860 O=C(CF)Cn1c2ccccc2c(=O)c3c1cccc3 1458a_100000389867_100015361967 [0,1,0,0,0,0|1,0,0]=2 6 B21R2.3993 NC(=O)CN(c1ccccc1)c2ccnc(c2C=O)F 27a_100000212578_100009877353 [0,1,1,0,0,0|2,0,0]=4 7 B21R2.257488 CC(=O)c1cccnc1N(CC(=O)N)c2ccccc2 27a_100000212578_100009816689 [0,1,1,0,0,0|2,0,0]=4 8 B21R2.257488 CC(=O)c1cnccc1N(CC(=O)N)c2ccccc2 27a_100000212578_100160469449 [0,1,1,0,0,0|2,0,0]=4 9 B21R2.257488 NC(=O)CN(c1ccccc1)c2cccnc2C(=O)N 27a_100000212578_200012359670 [0,1,1,0,0,0|2,0,0]=4 10 B21R2.257488 NC(=O)CN(c1ccccc1)c2ccncc2C(=O)N 27a_100000212578_100000697804 [0,1,1,0,0,0|2,0,0]=4 11 B21R2.257488 NC(=O)CN(c1ccccc1)c2ncccc2C(=O)N 27a_100000212578_100000162199 [0,1,1,0,0,0|2,0,0]=4 12 B21R2.432875 NC(=O)CN(c1ccccc1)c2cc(ncc2C=O)F 27a_100000212578_100009862493 [0,1,1,0,0,0|2,0,0]=4 13 B21R2.432875 NC(=O)CN(c1ccccc1)c2nc(ccc2C=O)F 27a_100000212578_100009846357 [0,1,1,0,0,0|2,0,0]=4 14 B21R2.19150 C=C(C)CNc1ccccc1C(=O)c2ccc(cc2)F 27a_100000765925_100011267497 [0,1,1,0,0,0|2,0,0]=4 15 B21R2.19150 CC(O)CNc1ccccc1C(=O)c2ccc(cc2)F 27a_100000210904_100011267497 [0,1,1,0,0,0|1,0,1]=4 16 B21R2.19150 NC(=O)CSc1ccccc1C(=O)c2ccc(cc2)F 62a_100011267497_100000747473 [0,1,1,0,0,0|2,0,0]=4 17 B21R2.19150 O=C([O-])CSc1ccccc1C(=O)c2ccc(cc2)F 62a_100011267497_100020667443 [0,1,1,0,0,0|1,0,1]=4 18 B21R2.22898 C=C(c1ccccc1)c2ccccc2CCC(=O)OC 271570a_100000068269_100009815308 [0,1,1,0,0,0|2,0,0]=4 19 B21R2.22898 C=C(c1ccccc1)c2ccccc2OCC(=O)OC 271570a_100000068269_200000173920 [0,1,1,0,0,0|2,0,0]=4 20 B21R2.22898 CC(CO)CNc1ccccc1C(=O)c2ccccc2 27a_100000744482_100000198044 [0,1,1,0,0,0|1,0,1]=4 21 B21R2.22898 CCC(=O)COc1ccccc1C(=O)c2ccccc2 7a_100011215220_100000747405 [0,1,1,0,0,0|2,0,0]=4 22 B21R2.22898 CCC(=O)CSc1ccccc1C(=O)c2ccccc2 62a_100000198044_100000747405 [0,1,1,0,0,0|2,0,0]=4 23 B21R2.22898 CCC(O)CNc1ccccc1C(=O)c2ccccc2 27a_100011218483_100000198044 [0,1,1,0,0,0|1,0,1]=4 24 B21R2.22898 CNC(=O)CNc1ccccc1C(=O)c2ccccc2 27a_100000693194_100000198044 [0,1,1,0,0,0|1,0,0]=3 25 B21R2.22898 CNC(=O)CNc1ccccc1C(=O)c2cccnc2 27a_100000693194_100011532686 [0,1,1,0,0,0|2,0,0]=4 26 B21R2.22898 CNC(=O)COc1ccccc1C(=O)c2ccccc2 7a_100011215220_100000183359 [0,1,1,0,0,0|2,0,0]=4 27 B21R2.22898 CNC(=O)CSc1ccccc1C(=O)c2ccccc2 62a_100000198044_100000183359 [0,1,1,0,0,0|2,0,0]=4 28 B21R2.22898 COC(=O)CNc1ccccc1C(O)c2ccccc2 2230a_100000246470_100000747449 [0,1,1,0,0,0|0,0,2]=4 29 B21R2.22898 COC(=O)CNc1ccccc1C(O)c2ccccc2 34a_100000246470_100000747449 [0,1,1,0,0,0|0,0,2]=4 30 B21R2.22898 COC(=O)CNc1ccccc1C(O)c2ccccc2 7a_100000246470_100000747449 [0,1,1,0,0,0|0,0,2]=4 31 B21R2.22898 COC(=O)COc1ccccc1C(=O)c2ccccc2 7a_100011215220_100000747449 [0,1,1,0,0,0|1,0,0]=3 32 B21R2.22898 COC(=O)CSc1ccccc1C(=O)c2ccccc2 62a_100000198044_100000747449 [0,1,1,0,0,0|1,0,0]=3 33 B21R2.22898 COC(=O)CSc1ccccc1C(=O)c2cccnc2 62a_100000747449_100011532686 [0,1,1,0,0,0|2,0,0]=4 34 B21R2.22898 COC(=O)CSc1ccccc1C(=O)c2cccnc2 62a_100011532686_100000747449 [0,1,1,0,0,0|2,0,0]=4 35 B21R2.22898 CO[C@H](C)CNc1ccccc1C(=O)c2ccccc2 27a_100020591295_100000198044 [0,1,1,0,0,0|1,0,1]=4 36 B21R2.22898 O=C(c1ccccc1)c2ccccc2NC[C@@H](F)CO 27a_100015665980_100000198044 [0,1,1,0,0,0|1,0,1]=4 37 B21R2.22898 O=C(c1ccccc1)c2ccccc2NC[C@H](O)CO 27a_100020644852_100000198044 [0,1,1,0,0,0|0,0,2]=4 38 B21R2.32723 CC(=O)C(C)Oc1ccccc1C(=O)c2ccccc2 7a_100011215220_100000179758 [0,1,1,0,0,0|2,0,0]=4 39 B21R2.32723 CC(=O)C(C)Sc1ccccc1C(=O)c2ccccc2 62a_100000198044_100009814033 [0,1,1,0,0,0|2,0,0]=4 40 B21R2.32723 CC(Oc1ccccc1C(=O)c2ccccc2)C(=O)N 7a_100011215220_100000702099 [0,1,1,0,0,0|2,0,0]=4 41 B21R2.32723 CC(Sc1ccccc1C(=O)c2ccccc2)C(=O)N 62a_100000198044_100000702099 [0,1,1,0,0,0|2,0,0]=4 42 B21R2.32723 C[C@@H](Nc1ccccc1C(=O)c2ccccc2)C(=O)N 27a_100000119354_100000198044 [0,1,1,0,0,0|1,0,0]=3 43 B21R2.32723 C[C@@H](Nc1ccccc1C(=O)c2cccnc2)C(=O)N 27a_100000119354_100011532686 [0,1,1,0,0,0|2,0,0]=4 44 B21R2.32723 NC(=O)C(F)Oc1ccccc1C(=O)c2ccccc2 7a_100011215220_100009813875 [0,1,1,0,0,0|2,0,0]=4 45 B21R2.32723 NC(=O)C(F)Sc1ccccc1C(=O)c2ccccc2 62a_100000198044_100009813875 [0,1,1,0,0,0|2,0,0]=4 46 B21R2.32723 O=C(c1ccccc1)c2ccccc2SC(F)C(=O)[O-] 62a_100000198044_100020610796 [0,1,1,0,0,0|1,0,1]=4 47 B21R2.40169 CC(C)(O)CNc1ccccc1C(=O)c2ccccc2 27a_100000751335_100000198044 [0,1,1,0,0,0|1,0,1]=4 48 B21R2.97723 C=C(C)CN(C)c1ccccc1C(=O)c2ccccc2 27a_100000225649_100000198044 [0,1,1,0,0,0|2,0,0]=4 49 B21R2.97723 CC(O)CN(C)c1ccccc1C(=O)c2ccccc2 27a_100000227577_100000198044 [0,1,1,0,0,0|1,0,1]=4 50 B21R2.97723 CN(CC(=O)N)c1ccccc1C(=O)c2ccccc2 27a_100000739694_100000198044 [0,1,1,0,0,0|1,0,0]=3 51 B21R2.97723 CN(CC(=O)N)c1ccccc1C(=O)c2cccnc2 27a_100000739694_100011532686 [0,1,1,0,0,0|2,0,0]=4 52 B21R2.111526 NC(=O)CNc1ccccc1S(=O)(=O)c2ccccc2 7a_100000035228_100000187820 [0,1,1,0,0,0|2,0,0]=4 53 B21R2.222174 C=C(C)CNc1ccccc1C(=O)c2cccc(c2)Br 27a_100000765925_100010004308 [0,1,1,0,0,0|2,0,0]=4 54 B21R2.222174 CC(O)CNc1ccccc1C(=O)c2cccc(c2)Br 27a_100000210904_100010004308 [0,1,1,0,0,0|1,0,1]=4 55 B21R2.222174 NC(=O)CSc1ccccc1C(=O)c2cccc(c2)Br 62a_100010004308_100000747473 [0,1,1,0,0,0|2,0,0]=4 56 B21R2.222174 O=C([O-])CSc1ccccc1C(=O)c2cccc(c2)Br 62a_100010004308_100020667443 [0,1,1,0,0,0|1,0,1]=4 57 B21R2.225978 Cc1ccc(c(c1)C(=O)c2ccccc2)OCC(=O)N 7a_100011219697_100000187820 [0,1,1,0,0,0|2,0,0]=4 58 B21R2.225978 NC(=O)COc1ccc(cc1C(=O)c2ccccc2)Br 7a_200011217964_100000187820 [0,1,1,0,0,0|2,0,0]=4 59 B21R2.225978 NC(=O)COc1ccc(cc1C(=O)c2ccccc2)Cl 34a_100011215916_100000187820 [0,1,1,0,0,0|2,0,0]=4 60 B21R2.225978 NC(=O)COc1ccc(cc1C(=O)c2ccccc2)Cl 7a_100011215916_100000187820 [0,1,1,0,0,0|2,0,0]=4 61 B21R2.225978 O=C([O-])COc1ccc(cc1C(=O)c2ccccc2)Cl 34a_100011215916_100020667443 [0,1,1,0,0,0|1,0,1]=4 62 B21R2.226395 Cc1ccc(c(c1)OCC(=O)N)C(=O)c2ccccc2 7a_100000066476_100000187820 [0,1,1,0,0,0|2,0,0]=4 63 B23R3.165861636 C#CCC(=O)Cn1c2ccccc2c(=O)c3c1cccc3 1458a_100000389867_100000184674 [0,2,0,0,0,0|1,0,0]=3 64 B23R3.165861636 C=CCC(=O)Cn1c2ccccc2c(=O)c3c1cccc3 1458a_100000389867_100000210623 [0,2,0,0,0,0|1,0,0]=3 65 B23R3.165861636 CCCC(=O)Cn1c2ccccc2c(=O)c3c1cccc3 1458a_100000389867_100000210303 [0,2,0,0,0,0|1,0,0]=3 66 B23R3.165861636 CCNC(=O)Cn1c2ccccc2c(=O)c3c1cccc3 11a_100015525214_100000389867 [0,2,0,0,0,0|1,0,0]=3 67 B23R3.165861636 CCNC(=O)Cn1c2ccccc2c(=O)c3c1cccc3 240690a_100015525214_100000389867 [0,2,0,0,0,0|1,0,0]=3 68 B23R3.165861636 CCNC(=O)Cn1c2ccccc2c(=O)c3c1cccc3 527a_100015525214_100000389867 [0,2,0,0,0,0|1,0,0]=3 69 B23R3.165861636 CNNC(=O)Cn1c2ccccc2c(=O)c3c1cccc3 22a_100016993582_100000389867 [0,2,0,0,0,0|1,0,0]=3 70 B23R3.165861636 N#CCC(=O)Cn1c2ccccc2c(=O)c3c1cccc3 1458a_100000389867_100011214920 [0,2,0,0,0,0|1,0,0]=3 71 B23R3.165861636 O=C(CCF)Cn1c2ccccc2c(=O)c3c1cccc3 1458a_100000389867_100011217306 [0,2,0,0,0,0|1,0,0]=3 72 B23R3.165861636 O=C(CCO)Cn1c2ccccc2c(=O)c3c1cccc3 1458a_100000389867_100000211926 [0,2,0,0,0,0|0,0,0]=2 73 B21R2.23139 CCc1ccccc1N(CC(=O)O)Cc2ccccc2 269956a_200011244167_100015291786 [0,0,1,0,0,1|1,0,1]=4 74 B21R2.23139 COc1ccccc1N(CC(=O)O)Cc2ccccc2 269956a_100000744073_100015291786 [0,0,1,0,0,1|2,0,0]=4 75 B21R2.441285 COc1ccccc1CN(CC(=O)O)c2ccccc2 269956a_100000212060_100000210004 [0,0,1,0,0,1|2,0,0]=4 76 B21R2.441285 CSc1ccccc1CN(CC(=O)O)c2ccccc2 269956a_100000212060_100000699184 [0,0,1,0,0,1|2,0,0]=4 77 B21R2.441285 N#Cc1ccccc1CN(CC(=O)O)c2ccccc2 269956a_100000212060_100000181865 [0,0,1,0,0,1|1,0,1]=4 78 B21R2.441285 NC(=O)CN(Cc1ccccc1C=O)c2ccccc2 2230a_100000212578_200009853537 [0,0,1,0,0,1|1,0,0]=3 79 B21R2.441285 NC(=O)CN(Cc1ccccc1C=O)c2ccccc2 269982a_100000212578_200009853537 [0,0,1,0,0,1|1,0,0]=3 80 B21R2.441285 O=C(O)CN(Cc1ccccc1CO)c2ccccc2 269956a_100000212060_100009816955 [0,0,1,0,0,1|0,0,2]=4 81 B21R2.441285 O=Cc1ccccc1CN(CC(=O)O)c2ccccc2 269956a_100000212060_200009853537 [0,0,1,0,0,1|0,0,0]=2 82 B21R2.111511 C=C(C)CNc1ccccc1C(=O)Nc2ccccc2 34a_200005462405_100000748629 [0,0,1,0,0,1|2,0,0]=4 83 B21R2.111511 C=C(F)CNc1ccccc1C(=O)Nc2ccccc2 34a_200005462405_100009893438 [0,0,1,0,0,1|2,0,0]=4 84 B21R2.111511 CC(O)CNc1ccccc1C(=O)Nc2ccccc2 34a_200005462405_100011218427 [0,0,1,0,0,1|1,0,1]=4 85 B21R2.111511 C[C@@H](O)CNc1ccccc1C(=O)Nc2ccccc2 34a_200005462405_100009817552 [0,0,1,0,0,1|1,0,1]=4 86 B21R2.111511 NC(=O)CNc1ccccc1C(=O)Nc2ccccc2 34a_200005462405_100000187820 [0,0,1,0,0,1|1,0,0]=3 87 B21R2.111511 NC(=O)COc1ccccc1C(=O)Cc2ccccc2 7a_100000040333_100000187820 [0,0,1,0,0,1|2,0,0]=4 88 B21R2.111511 NC(=O)COc1ccccc1C(=O)Nc2ccccc2 34a_100000263231_100000187820 [0,0,1,0,0,1|2,0,0]=4 89 B21R2.111511 NC(=O)COc1ccccc1C(=O)Nc2ccccc2 7a_100000263231_100000187820 [0,0,1,0,0,1|2,0,0]=4 90 B21R2.111511 NC(=O)COc1ccccc1C(=O)Oc2ccccc2 7a_100005462448_100000187820 [0,0,1,0,0,1|2,0,0]=4 91 B21R2.111511 NC(=O)CSc1ccccc1C(=O)Cc2ccccc2 1458a_100000180052_100015291786 [0,0,1,0,0,1|2,0,0]=4 92 B21R2.111511 NC(=O)CSc1ccccc1C(=O)Nc2ccccc2 11a_100000106764_100000180052 [0,0,1,0,0,1|2,0,0]=4 93 B21R2.111511 NC(=O)CSc1ccccc1C(=O)Nc2ccccc2 22a_100000106764_100000180052 [0,0,1,0,0,1|2,0,0]=4 94 B21R2.111511 NC(=O)CSc1ccccc1C(=O)Nc2ccccc2 527a_100000106764_100000180052 [0,0,1,0,0,1|2,0,0]=4 95 B21R2.111511 O=C(Nc1ccccc1)c2ccccc2NC[N+](=O)[O-] 34a_200005462405_100000761209 [0,0,1,0,0,1|1,0,1]=4 96 B21R2.111511 O=C([O-])CNc1ccccc1C(=O)Nc2ccccc2 34a_200005462405_100020667443 [0,0,1,0,0,1|0,0,1]=3 97 B21R2.111511 O=C([O-])COc1ccccc1C(=O)Nc2ccccc2 34a_100000263231_100020667443 [0,0,1,0,0,1|1,0,1]=4 98 B21R2.111519 C=C(C)CNc1ccccc1NC(=O)c2ccccc2 2230a_200000287447_100000748629 [0,0,1,0,0,1|2,0,0]=4 99 B21R2.111519 C=C(F)CNc1ccccc1NC(=O)c2ccccc2 2230a_200000287447_100009893438 [0,0,1,0,0,1|2,0,0]=4 100 B21R2.111519 CC(O)CNc1ccccc1NC(=O)c2ccccc2 2230a_200000287447_100011218427 [0,0,1,0,0,1|1,0,1]=4 101 B21R2.111519 C[C@@H](O)CNc1ccccc1NC(=O)c2ccccc2 2230a_200000287447_100009817552 [0,0,1,0,0,1|1,0,1]=4 102 B21R2.111519 NC(=O)CNc1ccccc1NC(=O)c2ccccc2 2230a_200000287447_100000747473 [0,0,1,0,0,1|1,0,0]=3 103 B21R2.111519 NC(=O)CSc1ccccc1NC(=O)c2ccccc2 11a_100000187061_100000185807 [0,0,1,0,0,1|2,0,0]=4 104 B21R2.111519 NC(=O)CSc1ccccc1NC(=O)c2ccccc2 22a_100000187061_100000185807 [0,0,1,0,0,1|2,0,0]=4 105 B21R2.255306 CC(=CCNc1ccccc1C(=O)c2ccccc2)C 27a_100000718196_100000198044 [0,0,1,0,0,1|2,0,0]=4 106 B21R2.255306 CC(=O)CCOc1ccccc1C(=O)c2ccccc2 7a_100011215220_100000053229 [0,0,1,0,0,1|2,0,0]=4 107 B21R2.255306 CC(=O)CCSc1ccccc1C(=O)c2ccccc2 62a_100000198044_100000053229 [0,0,1,0,0,1|2,0,0]=4 108 B21R2.255306 CC(=O)OCSc1ccccc1C(=O)c2ccccc2 62a_100000198044_100000076356 [0,0,1,0,0,1|2,0,0]=4 109 B21R2.255306 CC(O)CCNc1ccccc1C(=O)c2ccccc2 27a_200000755665_100000198044 [0,0,1,0,0,1|1,0,1]=4 110 B21R2.255306 NC(=O)CCNc1ccccc1C(=O)c2ccccc2 27a_100000740010_100000198044 [0,0,1,0,0,1|1,0,0]=3 111 B21R2.255306 NC(=O)CCNc1ccccc1C(=O)c2cccnc2 27a_100000740010_100011532686 [0,0,1,0,0,1|2,0,0]=4 112 B21R2.255306 NC(=O)CCOc1ccccc1C(=O)c2ccccc2 7a_100011215220_100000744528 [0,0,1,0,0,1|2,0,0]=4 113 B21R2.255306 NC(=O)CCSc1ccccc1C(=O)c2ccccc2 62a_100000198044_100000744528 [0,0,1,0,0,1|2,0,0]=4