0 B14R1.362 C=C(C)c1cc(c(c(c1)OC)F)OC 271570a_100000694244_100015304952 [0,0,0,0,0,0|3,0,0]=3 1 B14R1.362 C=C(C)c1cc(c(c(c1)OC)O)CO 271570a_100000694244_100000185604 [0,0,0,0,0,0|4,0,0]=4 2 B14R1.362 C=C(C)c1cc(c(c(c1)OC)O)OC 271570a_100000694244_100000691893 [0,0,0,0,0,0|2,0,0]=2 3 B14R1.362 COc1cc(cc(c1Br)OC)C(=O)C 1458a_100000212323_200000210301 [0,0,0,0,0,0|2,0,0]=2 4 B14R1.362 COc1cc(cc(c1Br)OC)C(=O)[13CH3] 1458a_100000212323_200025704644 [0,0,0,0,0,0|2,0,0]=2 5 B14R1.362 COc1cc(cc(c1C)OC)C(=O)C 1458a_100000211643_200000210301 [0,0,0,0,0,0|2,0,0]=2 6 B14R1.362 COc1cc(cc(c1C)OC)C(=O)[13CH3] 1458a_100000211643_200025704644 [0,0,0,0,0,0|2,0,0]=2 7 B14R1.362 COc1cc(cc(c1O)OC)C(=O)C 1458a_100000692901_200000210301 [0,0,0,0,0,0|1,0,0]=1 8 B14R1.362 COc1cc(cc(c1O)OC)C(=O)[13CH3] 1458a_100000692901_200025704644 [0,0,0,0,0,0|1,0,0]=1 9 B13R1.298 C=C(C)c1cc(c(c(c1)CC)O)C 271570a_100000694244_100010659108 [1,0,0,0,0,0|3,0,0]=4 10 B13R1.298 C=C(C)c1cc(c(c(c1)OC)F)C 271570a_100000694244_100010271686 [1,0,0,0,0,0|3,0,0]=4 11 B13R1.298 C=C(C)c1cc(c(c(c1)OC)F)O 271570a_100000694244_200015524394 [1,0,0,0,0,0|3,0,0]=4 12 B13R1.298 C=C(C)c1cc(c(c(c1)OC)N)C 271570a_100000694244_100000741850 [1,0,0,0,0,0|3,0,0]=4 13 B13R1.298 COc1cc(cc(c1Cl)Br)C(=O)C 1458a_100020639751_200000210301 [1,0,0,0,0,0|3,0,0]=4 14 B13R1.298 COc1cc(cc(c1Cl)Br)C(=O)[13CH3] 1458a_100020639751_200025704644 [1,0,0,0,0,0|3,0,0]=4 15 B13R1.298 COc1cc(cc(c1F)F)C(=O)C 1458a_100000081826_200000210301 [1,0,0,0,0,0|3,0,0]=4 16 B13R1.298 COc1cc(cc(c1F)F)C(=O)[13CH3] 1458a_100000081826_200025704644 [1,0,0,0,0,0|3,0,0]=4 17 B13R1.298 COc1cc(cc(c1O)Cl)C(=O)C 1458a_100000209947_200000210301 [1,0,0,0,0,0|2,0,0]=3 18 B13R1.298 COc1cc(cc(c1O)Cl)C(=O)[13CH3] 1458a_100000209947_200025704644 [1,0,0,0,0,0|2,0,0]=3 19 B13R1.298 COc1cc(cc(c1O)O)C(=O)C 1458a_100000061230_200000210301 [1,0,0,0,0,0|1,0,0]=2 20 B13R1.298 COc1cc(cc(c1O)O)C(=O)[13CH3] 1458a_100000061230_200025704644 [1,0,0,0,0,0|1,0,0]=2 21 B13R1.313 C=C(C)c1cc(cc(c1)OC)OC 271570a_100000694244_100000685218 [1,0,0,0,0,0|2,0,0]=3 22 B13R1.313 C=C(C)c1cc(cc(c1)SC)OC 271570a_100000694244_200010709149 [1,0,0,0,0,0|2,1,0]=4 23 B13R1.313 C=C(C)c1cc(cc(n1)OC)OC 271570a_100000694244_100010008354 [1,0,0,0,0,0|3,0,0]=4 24 B13R1.313 C=Cc1cc(cc(c1)C(=O)C)OC 271570a_100011290941_100010713257 [1,0,0,0,0,0|2,0,1]=4 25 B13R1.313 C=Cc1cc(cc(c1)C(=O)N)OC 271570a_100011290941_100010146780 [1,0,0,0,0,0|2,0,1]=4 26 B13R1.313 CCc1cc(cc(c1)C(=O)C)CC 1458a_100000092841_200000210301 [1,0,0,0,0,0|3,0,0]=4 27 B13R1.313 CCc1cc(cc(c1)C(=O)[13CH3])CC 1458a_100000092841_200025704644 [1,0,0,0,0,0|3,0,0]=4 28 B13R1.313 CNc1cc(cc(c1)C(=O)N)OC 34a_200012187661_200000210301 [1,0,0,0,0,0|2,0,0]=3 29 B13R1.313 CNc1cc(cc(c1)C(=O)N)OC 7a_200012187661_200000210301 [1,0,0,0,0,0|2,0,0]=3 30 B13R1.313 CNc1cc(cc(c1)[N+](=O)[O-])OC 34a_100011203528_200000210301 [1,0,0,0,0,0|2,0,1]=4 31 B13R1.313 COc1cc(cc(c1)B(O)O)SC 62a_100009814751_200000210301 [1,0,0,0,0,0|1,1,1]=4 32 B13R1.313 COc1cc(cc(c1)B(O)O)SC 62a_200000210301_100009814751 [1,0,0,0,0,0|1,1,1]=4 33 B13R1.313 COc1cc(cc(c1)B(O)O)S[13CH3] 62a_100009814751_200025704644 [1,0,0,0,0,0|1,1,1]=4 34 B13R1.313 COc1cc(cc(c1)B(O)O)S[13CH3] 62a_200025704644_100009814751 [1,0,0,0,0,0|1,1,1]=4 35 B13R1.313 COc1cc(cc(c1)C(=O)C)OC 1458a_100000210870_200000210301 [1,0,0,0,0,0|1,0,0]=2 36 B13R1.313 COc1cc(cc(c1)C(=O)C)SC 62a_100010713257_200000210301 [1,0,0,0,0,0|1,1,0]=3 37 B13R1.313 COc1cc(cc(c1)C(=O)C)SC 62a_200000210301_100010713257 [1,0,0,0,0,0|1,1,0]=3 38 B13R1.313 COc1cc(cc(c1)C(=O)C)S[13CH3] 62a_100010713257_200025704644 [1,0,0,0,0,0|1,1,0]=3 39 B13R1.313 COc1cc(cc(c1)C(=O)C)S[13CH3] 62a_200025704644_100010713257 [1,0,0,0,0,0|1,1,0]=3 40 B13R1.313 COc1cc(cc(c1)C(=O)N)N[13CH3] 34a_200012187661_200025704644 [1,0,0,0,0,0|2,0,0]=3 41 B13R1.313 COc1cc(cc(c1)C(=O)N)N[13CH3] 7a_200012187661_200025704644 [1,0,0,0,0,0|2,0,0]=3 42 B13R1.313 COc1cc(cc(c1)C(=O)N)SC 62a_100010146780_200000210301 [1,0,0,0,0,0|1,1,0]=3 43 B13R1.313 COc1cc(cc(c1)C(=O)N)SC 62a_200000210301_100010146780 [1,0,0,0,0,0|1,1,0]=3 44 B13R1.313 COc1cc(cc(c1)C(=O)N)S[13CH3] 62a_100010146780_200025704644 [1,0,0,0,0,0|1,1,0]=3 45 B13R1.313 COc1cc(cc(c1)C(=O)N)S[13CH3] 62a_200025704644_100010146780 [1,0,0,0,0,0|1,1,0]=3 46 B13R1.313 COc1cc(cc(c1)C(=O)[13CH3])OC 1458a_100000210870_200025704644 [1,0,0,0,0,0|1,0,0]=2 47 B13R1.313 COc1cc(cc(c1)[N+](=O)[O-])N[13CH3] 34a_100011203528_200025704644 [1,0,0,0,0,0|2,0,1]=4 48 B13R1.433 C=Cc1cc(c(c(c1)OC)F)OC 271570a_100011290941_100015304952 [1,0,0,0,0,0|2,0,0]=3 49 B13R1.433 C=Cc1cc(c(c(c1)OC)O)CO 271570a_100011290941_100000185604 [1,0,0,0,0,0|3,0,0]=4 50 B13R1.433 C=Cc1cc(c(c(c1)OC)O)OC 271570a_100011290941_100000691893 [1,0,0,0,0,0|1,0,0]=2 51 B13R1.433 C=Cc1cc(cc(c1O)OC)C=O 271570a_100011290941_100000184534 [1,0,0,0,0,0|1,0,1]=3 52 B13R1.433 C=Cc1cc(cc(c1O)OC)CO 271570a_100011290941_200000022573 [1,0,0,0,0,0|1,0,2]=4 53 B13R1.433 CNc1cc(c(c(c1)OC)Cl)OC 34a_100009986809_200000210301 [1,0,0,0,0,0|3,0,0]=4 54 B13R1.433 COc1cc(c(c(c1)OC)Cl)OC 34a_100010658696_200000210301 [1,0,0,0,0,0|3,0,0]=4 55 B13R1.433 COc1cc(c(c(c1)OC)Cl)OC 7a_100010658696_200000210301 [1,0,0,0,0,0|3,0,0]=4 56 B13R1.433 COc1cc(c(c(c1)OC)O)OC 271570a_203496583355_100000186544 [1,0,0,0,0,0|2,0,0]=3 57 B13R1.433 COc1cc(c(c(c1)O[13CH3])Cl)OC 34a_100010658696_200025704644 [1,0,0,0,0,0|3,0,0]=4 58 B13R1.433 COc1cc(c(c(c1)O[13CH3])Cl)OC 7a_100010658696_200025704644 [1,0,0,0,0,0|3,0,0]=4 59 B13R1.433 COc1cc(cc(c1Cl)OC)N[13CH3] 34a_100009986809_200025704644 [1,0,0,0,0,0|3,0,0]=4 60 B13R1.433 COc1cc(cc(c1F)OC)SC 62a_100015304952_200000210301 [1,0,0,0,0,0|3,0,0]=4 61 B13R1.433 COc1cc(cc(c1F)OC)SC 62a_200000210301_100015304952 [1,0,0,0,0,0|3,0,0]=4 62 B13R1.433 COc1cc(cc(c1F)OC)S[13CH3] 62a_100015304952_200025704644 [1,0,0,0,0,0|3,0,0]=4 63 B13R1.433 COc1cc(cc(c1F)OC)S[13CH3] 62a_200025704644_100015304952 [1,0,0,0,0,0|3,0,0]=4 64 B13R1.433 COc1cc(cc(c1O)OC)CO 271570a_203496583355_100010169844 [1,0,0,0,0,0|0,0,1]=2 65 B13R1.433 COc1cc(cc(c1O)SC)C#N 62a_200000210301_100000188612 [1,0,0,0,0,0|1,1,1]=4 66 B13R1.433 COc1cc(cc(c1O)SC)C=O 62a_200000210301_100000184534 [1,0,0,0,0,0|0,1,0]=2 67 B13R1.433 COc1cc(cc(c1O)SC)CO 62a_200000210301_200000022573 [1,0,0,0,0,0|0,1,1]=3 68 B13R1.433 COc1cc(cc(c1O)S[13CH3])C#N 62a_200025704644_100000188612 [1,0,0,0,0,0|1,1,1]=4 69 B13R1.433 COc1cc(cc(c1O)S[13CH3])C=O 62a_200025704644_100000184534 [1,0,0,0,0,0|0,1,0]=2 70 B13R1.433 COc1cc(cc(c1O)S[13CH3])CO 62a_200025704644_200000022573 [1,0,0,0,0,0|0,1,1]=3 71 B15R1.378 C=C(C)c1cc(c(c(c1)OC)C=O)OC 271570a_100000694244_100010380724 [0,1,0,0,0,0|2,0,1]=4 72 B15R1.378 C=C(C)c1cc(c(c(c1)OC)OC)OC 271570a_100000694244_100009814342 [0,1,0,0,0,0|2,0,0]=3 73 B15R1.378 COc1cc(cc(c1OC)OC)C(=O)C 1458a_100000210649_200000210301 [0,1,0,0,0,0|1,0,0]=2 74 B15R1.378 COc1cc(cc(c1OC)OC)C(=O)[13CH3] 1458a_100000210649_200025704644 [0,1,0,0,0,0|1,0,0]=2 75 B15R1.378 COc1cc(cc(c1OC)OC)[N+](=O)[O-] 34a_200009884383_200000210301 [0,1,0,0,0,0|1,0,1]=3 76 B15R1.378 COc1cc(cc(c1OC)O[13CH3])[N+](=O)[O-] 34a_200009884383_200025704644 [0,1,0,0,0,0|1,0,1]=3 77 B15R1.383 C=Cc1cc(cc(c1N)OC)C(=O)OC 271570a_100011290941_100010236038 [0,1,0,0,0,0|2,0,1]=4 78 B15R1.383 C=Cc1cc(cc(c1O)OC)C(=O)OC 271570a_100011290941_200009811556 [0,1,0,0,0,0|1,0,1]=3 79 B15R1.383 CCC(=O)c1cc(c(c(c1)OC)Br)OC 1458a_100000212323_100000210202 [0,1,0,0,0,0|2,0,0]=3 80 B15R1.383 CCC(=O)c1cc(c(c(c1)OC)C)OC 1458a_100000211643_100000210202 [0,1,0,0,0,0|2,0,0]=3 81 B15R1.383 CCC(=O)c1cc(c(c(c1)OC)O)OC 1458a_100000692901_100000210202 [0,1,0,0,0,0|1,0,0]=2 82 B15R1.383 CNC(=O)c1cc(c(c(c1)OC)Br)OC 11a_106832991635_100000212323 [0,1,0,0,0,0|2,0,0]=3 83 B15R1.383 CNC(=O)c1cc(c(c(c1)OC)Br)OC 1626a_100102657272_100000212323 [0,1,0,0,0,0|2,0,0]=3 84 B15R1.383 CNC(=O)c1cc(c(c(c1)OC)Br)OC 240690a_100102657272_100000212323 [0,1,0,0,0,0|2,0,0]=3 85 B15R1.383 CNC(=O)c1cc(c(c(c1)OC)Br)OC 527a_100102657272_100000212323 [0,1,0,0,0,0|2,0,0]=3 86 B15R1.383 CNC(=O)c1cc(c(c(c1)OC)C)OC 11a_106832991635_100000211643 [0,1,0,0,0,0|2,0,0]=3 87 B15R1.383 CNC(=O)c1cc(c(c(c1)OC)C)OC 1626a_100102657272_100000211643 [0,1,0,0,0,0|2,0,0]=3 88 B15R1.383 CNC(=O)c1cc(c(c(c1)OC)C)OC 240690a_100102657272_100000211643 [0,1,0,0,0,0|2,0,0]=3 89 B15R1.383 CNC(=O)c1cc(c(c(c1)OC)C)OC 527a_100102657272_100000211643 [0,1,0,0,0,0|2,0,0]=3 90 B15R1.383 CNC(=O)c1cc(c(c(c1)OC)O)OC 240690a_100102657272_100000692901 [0,1,0,0,0,0|1,0,0]=2 91 B15R1.383 CNC(=O)c1cc(c(c(c1)OC)O)OC 527a_100102657272_100000692901 [0,1,0,0,0,0|1,0,0]=2 92 B15R1.383 COC(=O)c1cc(c(c(c1)OC)O)OC 271570a_203496583355_100000216665 [0,1,0,0,0,0|0,0,0]=1 93 B15R1.383 COC(=O)c1cc(c(c(c1)SC)N)OC 62a_100010236038_200000210301 [0,1,0,0,0,0|1,1,0]=3 94 B15R1.383 COC(=O)c1cc(c(c(c1)SC)N)OC 62a_200000210301_100010236038 [0,1,0,0,0,0|1,1,0]=3 95 B15R1.383 COC(=O)c1cc(c(c(c1)SC)O)C=O 62a_200000210301_100010724619 [0,1,0,0,0,0|2,1,0]=4 96 B15R1.383 COC(=O)c1cc(c(c(c1)SC)O)OC 62a_200000210301_200009811556 [0,1,0,0,0,0|0,1,0]=2 97 B15R1.383 COC(=O)c1cc(c(c(c1)S[13CH3])N)OC 62a_100010236038_200025704644 [0,1,0,0,0,0|1,1,0]=3 98 B15R1.383 COC(=O)c1cc(c(c(c1)S[13CH3])N)OC 62a_200025704644_100010236038 [0,1,0,0,0,0|1,1,0]=3 99 B15R1.383 COC(=O)c1cc(c(c(c1)S[13CH3])O)C=O 62a_200025704644_100010724619 [0,1,0,0,0,0|2,1,0]=4 100 B15R1.383 COC(=O)c1cc(c(c(c1)S[13CH3])O)OC 62a_200025704644_200009811556 [0,1,0,0,0,0|0,1,0]=2 101 B15R1.383 COc1cc(cc(c1Br)OC)C(=O)CF 1458a_100000212323_100015361967 [0,1,0,0,0,0|2,0,0]=3 102 B15R1.383 COc1cc(cc(c1C)OC)C(=O)CF 1458a_100000211643_100015361967 [0,1,0,0,0,0|2,0,0]=3 103 B15R1.383 COc1cc(cc(c1O)OC)C(=O)CF 1458a_100000692901_100015361967 [0,1,0,0,0,0|1,0,0]=2 104 B15R1.393 COc1cc(cc(c1O)[N+](=O)[O-])C(=O)C 1458a_100010164148_200000210301 [0,1,0,0,0,0|3,0,0]=4 105 B15R1.393 COc1cc(cc(c1O)[N+](=O)[O-])C(=O)[13CH3] 1458a_100010164148_200025704644 [0,1,0,0,0,0|3,0,0]=4 106 B15R1.690 COc1cc(c(c(c1F)OC)F)C(=O)C 1458a_200010210147_200000210301 [0,1,0,0,0,0|2,0,0]=3 107 B15R1.690 COc1cc(c(c(c1F)OC)F)C(=O)[13CH3] 1458a_200010210147_200025704644 [0,1,0,0,0,0|2,0,0]=3 108 B15R2.15775 COc1cc(cc(c1O)OC)C2CC2 271570a_100011220607_100000691893 [0,0,0,1,0,0|2,0,1]=4 109 B15R2.22662 COc1cc(cc2c1OCO2)C(=O)C 1458a_100011218003_200000210301 [0,0,0,1,0,0|1,0,0]=2 110 B15R2.22662 COc1cc(cc2c1OCO2)C(=O)[13CH3] 1458a_100011218003_200025704644 [0,0,0,1,0,0|1,0,0]=2 111 B15R1.390 COc1cc(cc(c1Cl)OC)NC(=O)C 11a_100009986809_100015343762 [0,0,0,0,0,1|2,0,0]=3 112 B15R1.390 COc1cc(cc(c1Cl)OC)NC(=O)C 1626a_100009986809_100015343762 [0,0,0,0,0,1|2,0,0]=3 113 B15R1.390 COc1cc(cc(c1Cl)OC)NC(=O)C 22a_100009986809_100000070787 [0,0,0,0,0,1|2,0,0]=3 114 B15R1.390 COc1cc(cc(c1Cl)OC)NC(=O)C 527a_100009986809_100103153847 [0,0,0,0,0,1|2,0,0]=3 115 B15R1.390 COc1cc(cc(c1F)OC)C=C(C)C 271570a_100102525489_100015304952 [0,0,0,0,0,1|3,0,0]=4 116 B15R1.390 COc1cc(cc(c1O)OC)C=C(C)C 271570a_100102525489_100000691893 [0,0,0,0,0,1|2,0,0]=3 117 B15R1.390 COc1cc(cc(c1O)OC)CC(=O)C 1458a_100000043605_200000210301 [0,0,0,0,0,1|1,0,0]=2 118 B15R1.390 COc1cc(cc(c1O)OC)CC(=O)[13CH3] 1458a_100000043605_200025704644 [0,0,0,0,0,1|1,0,0]=2 119 B12R1.11 C=C(C)c1cc(cc(c1)OC)C 271570a_100000694244_100010187550 [2,0,0,0,0,0|2,0,0]=4 120 B12R1.11 C=C(C)c1cc(cc(c1)OC)O 271570a_100000694244_100010068927 [2,0,0,0,0,0|2,0,0]=4 121 B12R1.11 CC(=O)c1cc(cc(c1)O[13CH3])C 34a_100009855872_200025704644 [2,0,0,0,0,0|1,0,0]=3 122 B12R1.11 CC(=O)c1cc(cc(c1)O[13CH3])C 7a_100009855872_200025704644 [2,0,0,0,0,0|1,0,0]=3 123 B12R1.11 CC(=O)c1cc(cc(c1)S[13CH3])C 62a_100000694479_200025704644 [2,0,0,0,0,0|1,1,0]=4 124 B12R1.11 CC(=O)c1cc(cc(c1)S[13CH3])C 62a_200025704644_100000694479 [2,0,0,0,0,0|1,1,0]=4 125 B12R1.11 COc1cc(cc(c1)B(O)O)O 271570a_203496583355_100009814751 [2,0,0,0,0,0|1,0,1]=4 126 B12R1.11 COc1cc(cc(c1)C(=O)C)Br 1458a_100011934030_200000210301 [2,0,0,0,0,0|2,0,0]=4 127 B12R1.11 COc1cc(cc(c1)C(=O)C)C 1458a_100000117910_200000210301 [2,0,0,0,0,0|1,0,0]=3 128 B12R1.11 COc1cc(cc(c1)C(=O)C)C 34a_100009855872_200000210301 [2,0,0,0,0,0|1,0,0]=3 129 B12R1.11 COc1cc(cc(c1)C(=O)C)C 7a_100009855872_200000210301 [2,0,0,0,0,0|1,0,0]=3 130 B12R1.11 COc1cc(cc(c1)C(=O)C)Cl 1458a_100000066651_200000210301 [2,0,0,0,0,0|2,0,0]=4 131 B12R1.11 COc1cc(cc(c1)C(=O)C)F 1458a_100011934639_200000210301 [2,0,0,0,0,0|2,0,0]=4 132 B12R1.11 COc1cc(cc(c1)C(=O)C)I 1458a_200010292657_200000210301 [2,0,0,0,0,0|2,0,0]=4 133 B12R1.11 COc1cc(cc(c1)C(=O)C)O 1458a_100000083963_200000210301 [2,0,0,0,0,0|1,0,0]=3 134 B12R1.11 COc1cc(cc(c1)C(=O)C)O 271570a_203496583355_100010713257 [2,0,0,0,0,0|1,0,0]=3 135 B12R1.11 COc1cc(cc(c1)C(=O)N)Br 34a_100010084318_200000210301 [2,0,0,0,0,0|2,0,0]=4 136 B12R1.11 COc1cc(cc(c1)C(=O)N)Br 7a_100010084318_200000210301 [2,0,0,0,0,0|2,0,0]=4 137 B12R1.11 COc1cc(cc(c1)C(=O)N)O 271570a_203496583355_100010146780 [2,0,0,0,0,0|1,0,0]=3 138 B12R1.11 COc1cc(cc(c1)C(=O)[13CH3])Br 1458a_100011934030_200025704644 [2,0,0,0,0,0|2,0,0]=4 139 B12R1.11 COc1cc(cc(c1)C(=O)[13CH3])C 1458a_100000117910_200025704644 [2,0,0,0,0,0|1,0,0]=3 140 B12R1.11 COc1cc(cc(c1)C(=O)[13CH3])Cl 1458a_100000066651_200025704644 [2,0,0,0,0,0|2,0,0]=4 141 B12R1.11 COc1cc(cc(c1)C(=O)[13CH3])F 1458a_100011934639_200025704644 [2,0,0,0,0,0|2,0,0]=4 142 B12R1.11 COc1cc(cc(c1)C(=O)[13CH3])I 1458a_200010292657_200025704644 [2,0,0,0,0,0|2,0,0]=4 143 B12R1.11 COc1cc(cc(c1)C(=O)[13CH3])O 1458a_100000083963_200025704644 [2,0,0,0,0,0|1,0,0]=3 144 B12R1.11 COc1cc(cc(c1)[N+](=O)[O-])C 34a_200000091708_200000210301 [2,0,0,0,0,0|1,0,1]=4 145 B12R1.11 COc1cc(cc(c1)[N+](=O)[O-])C 7a_200000091708_200000210301 [2,0,0,0,0,0|1,0,1]=4 146 B12R1.11 CSc1cc(cc(c1)C(=O)C)C 62a_100000694479_200000210301 [2,0,0,0,0,0|1,1,0]=4 147 B12R1.11 CSc1cc(cc(c1)C(=O)C)C 62a_200000210301_100000694479 [2,0,0,0,0,0|1,1,0]=4 148 B12R1.11 CSc1cc(cc(c1)C(=O)N)C 62a_200000210301_200012348365 [2,0,0,0,0,0|1,1,0]=4 149 B12R1.11 CSc1cc(cc(c1)C(=O)N)C 62a_200012348365_200000210301 [2,0,0,0,0,0|1,1,0]=4 150 B12R1.11 CSc1cc(cc(c1)C(=O)N)O 62a_100010084318_200000210301 [2,0,0,0,0,0|1,1,0]=4 151 B12R1.11 CSc1cc(cc(c1)C(=O)N)O 62a_200000210301_100010084318 [2,0,0,0,0,0|1,1,0]=4 152 B12R1.11 Cc1cc(cc(c1)C(=O)N)S[13CH3] 62a_200012348365_200025704644 [2,0,0,0,0,0|1,1,0]=4 153 B12R1.11 Cc1cc(cc(c1)C(=O)N)S[13CH3] 62a_200025704644_200012348365 [2,0,0,0,0,0|1,1,0]=4 154 B12R1.11 Cc1cc(cc(c1)[N+](=O)[O-])O[13CH3] 34a_200000091708_200025704644 [2,0,0,0,0,0|1,0,1]=4 155 B12R1.11 Cc1cc(cc(c1)[N+](=O)[O-])O[13CH3] 7a_200000091708_200025704644 [2,0,0,0,0,0|1,0,1]=4 156 B12R1.11 [13CH3]Oc1cc(cc(c1)C(=O)N)Br 34a_100010084318_200025704644 [2,0,0,0,0,0|2,0,0]=4 157 B12R1.11 [13CH3]Oc1cc(cc(c1)C(=O)N)Br 7a_100010084318_200025704644 [2,0,0,0,0,0|2,0,0]=4 158 B12R1.11 [13CH3]Sc1cc(cc(c1)C(=O)N)O 62a_100010084318_200025704644 [2,0,0,0,0,0|1,1,0]=4 159 B12R1.11 [13CH3]Sc1cc(cc(c1)C(=O)N)O 62a_200025704644_100010084318 [2,0,0,0,0,0|1,1,0]=4 160 B12R1.56 C=C(C)c1ccc(c(c1)OC)O 271570a_100000694244_100000694246 [2,0,0,0,0,0|2,0,0]=4 161 B12R1.56 CC(=O)c1ccc(c(c1)O[13CH3])C 34a_100000084092_200025704644 [2,0,0,0,0,0|2,0,0]=4 162 B12R1.56 CC(=O)c1ccc(c(c1)O[13CH3])C 7a_100000084092_200025704644 [2,0,0,0,0,0|2,0,0]=4 163 B12R1.56 CC(=O)c1ccc(c(c1)O[13CH3])F 34a_100000117923_200025704644 [2,0,0,0,0,0|2,0,0]=4 164 B12R1.56 CC(=O)c1ccc(c(c1)O[13CH3])F 7a_100000117923_200025704644 [2,0,0,0,0,0|2,0,0]=4 165 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])O 62a_100011772453_200025704644 [2,0,0,0,0,0|1,1,0]=4 166 B12R1.56 COc1cc(ccc1Br)C(=O)C 1458a_100011934951_200000210301 [2,0,0,0,0,0|2,0,0]=4 167 B12R1.56 COc1cc(ccc1Br)C(=O)N 34a_100012344895_200000210301 [2,0,0,0,0,0|2,0,0]=4 168 B12R1.56 COc1cc(ccc1Br)C(=O)N 7a_100012344895_200000210301 [2,0,0,0,0,0|2,0,0]=4 169 B12R1.56 COc1cc(ccc1Br)C(=O)[13CH3] 1458a_100011934951_200025704644 [2,0,0,0,0,0|2,0,0]=4 170 B12R1.56 COc1cc(ccc1C)C(=O)C 1458a_100000212341_200000210301 [2,0,0,0,0,0|2,0,0]=4 171 B12R1.56 COc1cc(ccc1C)C(=O)C 34a_100000084092_200000210301 [2,0,0,0,0,0|2,0,0]=4 172 B12R1.56 COc1cc(ccc1C)C(=O)C 7a_100000084092_200000210301 [2,0,0,0,0,0|2,0,0]=4 173 B12R1.56 COc1cc(ccc1C)C(=O)[13CH3] 1458a_100000212341_200025704644 [2,0,0,0,0,0|2,0,0]=4 174 B12R1.56 COc1cc(ccc1Cl)C(=O)C 1458a_100000181799_200000210301 [2,0,0,0,0,0|2,0,0]=4 175 B12R1.56 COc1cc(ccc1Cl)C(=O)[13CH3] 1458a_100000181799_200025704644 [2,0,0,0,0,0|2,0,0]=4 176 B12R1.56 COc1cc(ccc1F)C(=O)C 1458a_100000757635_200000210301 [2,0,0,0,0,0|2,0,0]=4 177 B12R1.56 COc1cc(ccc1F)C(=O)C 34a_100000117923_200000210301 [2,0,0,0,0,0|2,0,0]=4 178 B12R1.56 COc1cc(ccc1F)C(=O)C 7a_100000117923_200000210301 [2,0,0,0,0,0|2,0,0]=4 179 B12R1.56 COc1cc(ccc1F)C(=O)[13CH3] 1458a_100000757635_200025704644 [2,0,0,0,0,0|2,0,0]=4 180 B12R1.56 COc1cc(ccc1I)C(=O)C 1458a_100012356290_200000210301 [2,0,0,0,0,0|2,0,0]=4 181 B12R1.56 COc1cc(ccc1I)C(=O)[13CH3] 1458a_100012356290_200025704644 [2,0,0,0,0,0|2,0,0]=4 182 B12R1.56 COc1cc(ccc1N)C(=O)N 34a_100011850428_200000210301 [2,0,0,0,0,0|2,0,0]=4 183 B12R1.56 COc1cc(ccc1N)C(=O)N 7a_100011850428_200000210301 [2,0,0,0,0,0|2,0,0]=4 184 B12R1.56 COc1cc(ccc1O)B(O)O 271570a_203496583355_100012355544 [2,0,0,0,0,0|1,0,1]=4 185 B12R1.56 COc1cc(ccc1O)C(=O)C 1458a_100000687070_200000210301 [2,0,0,0,0,0|1,0,0]=3 186 B12R1.56 COc1cc(ccc1O)C(=O)C 271570a_203496583355_100010110075 [2,0,0,0,0,0|1,0,0]=3 187 B12R1.56 COc1cc(ccc1O)C(=O)N 271570a_203496583355_100009817049 [2,0,0,0,0,0|1,0,0]=3 188 B12R1.56 COc1cc(ccc1O)C(=O)[13CH3] 1458a_100000687070_200025704644 [2,0,0,0,0,0|1,0,0]=3 189 B12R1.56 CSc1cc(ccc1O)C(=O)C 62a_100011772453_200000210301 [2,0,0,0,0,0|1,1,0]=4 190 B12R1.56 [13CH3]Oc1cc(ccc1Br)C(=O)N 34a_100012344895_200025704644 [2,0,0,0,0,0|2,0,0]=4 191 B12R1.56 [13CH3]Oc1cc(ccc1Br)C(=O)N 7a_100012344895_200025704644 [2,0,0,0,0,0|2,0,0]=4 192 B12R1.56 [13CH3]Oc1cc(ccc1N)C(=O)N 34a_100011850428_200025704644 [2,0,0,0,0,0|2,0,0]=4 193 B12R1.56 [13CH3]Oc1cc(ccc1N)C(=O)N 7a_100011850428_200025704644 [2,0,0,0,0,0|2,0,0]=4 194 B12R1.300 C=Cc1cc(c(c(c1)CC)O)C 271570a_100011290941_100010659108 [2,0,0,0,0,0|2,0,0]=4 195 B12R1.300 C=Cc1cc(c(c(c1)OC)F)C 271570a_100011290941_100010271686 [2,0,0,0,0,0|2,0,0]=4 196 B12R1.300 C=Cc1cc(c(c(c1)OC)F)O 271570a_100011290941_200015524394 [2,0,0,0,0,0|2,0,0]=4 197 B12R1.300 C=Cc1cc(c(c(c1)OC)N)C 271570a_100011290941_100000741850 [2,0,0,0,0,0|2,0,0]=4 198 B12R1.300 COc1cc(cc(c1O)O)C#N 271570a_203496583355_100000188612 [2,0,0,0,0,0|1,0,1]=4 199 B12R1.300 COc1cc(cc(c1O)O)C=O 271570a_203496583355_100000184534 [2,0,0,0,0,0|0,0,0]=2 200 B12R1.300 COc1cc(cc(c1O)O)CO 271570a_203496583355_200000022573 [2,0,0,0,0,0|0,0,1]=3 201 B12R1.300 COc1cc(cc(c1O)O)SC 62a_200000210301_200159242197 [2,0,0,0,0,0|2,0,0]=4 202 B12R1.300 COc1cc(cc(c1O)O)S[13CH3] 62a_200025704644_200159242197 [2,0,0,0,0,0|2,0,0]=4 203 B12R1.300 CSc1cc(cc(c1O)F)C=O 62a_100010295671_200000210301 [2,0,0,0,0,0|1,1,0]=4 204 B12R1.300 CSc1cc(cc(c1O)F)C=O 62a_200000210301_100010295671 [2,0,0,0,0,0|1,1,0]=4 205 B12R1.300 CSc1cc(cc(c1O)O)C=O 62a_200000210301_100000687232 [2,0,0,0,0,0|0,1,0]=3 206 B12R1.300 [13CH3]Sc1cc(cc(c1O)F)C=O 62a_100010295671_200025704644 [2,0,0,0,0,0|1,1,0]=4 207 B12R1.300 [13CH3]Sc1cc(cc(c1O)F)C=O 62a_200025704644_100010295671 [2,0,0,0,0,0|1,1,0]=4 208 B12R1.300 [13CH3]Sc1cc(cc(c1O)O)C=O 62a_200025704644_100000687232 [2,0,0,0,0,0|0,1,0]=3 209 B12R1.1005 C=C(C)c1cc(c(c(c1)C)O)C 271570a_100000694244_100000187306 [2,0,0,0,0,0|2,0,0]=4 210 B12R1.1005 CC(=O)c1cc(c(c(c1)Br)O)O 1458a_200009992764_200000210301 [2,0,0,0,0,0|2,0,0]=4 211 B12R1.1005 CC(=O)c1cc(c(c(c1)C)Br)C 1458a_100000700660_200000210301 [2,0,0,0,0,0|2,0,0]=4 212 B12R1.1005 CC(=O)c1cc(c(c(c1)C)C)C 1458a_100000075298_200000210301 [2,0,0,0,0,0|2,0,0]=4 213 B12R1.1005 CC(=O)c1cc(c(c(c1)C)Cl)C 1458a_100000102532_200000210301 [2,0,0,0,0,0|2,0,0]=4 214 B12R1.1005 CC(=O)c1cc(c(c(c1)C)F)C 1458a_100000741972_200000210301 [2,0,0,0,0,0|2,0,0]=4 215 B12R1.1005 CC(=O)c1cc(c(c(c1)C)I)C 1458a_100010769667_200000210301 [2,0,0,0,0,0|2,0,0]=4 216 B12R1.1005 CC(=O)c1cc(c(c(c1)C)O)C 1458a_100011219978_200000210301 [2,0,0,0,0,0|1,0,0]=3 217 B12R1.1005 CC(=O)c1cc(c(c(c1)Cl)O)O 1458a_200000078382_200000210301 [2,0,0,0,0,0|2,0,0]=4 218 B12R1.1005 CC(=O)c1cc(c(c(c1)O)C)O 1458a_100000031928_200000210301 [2,0,0,0,0,0|2,0,0]=4 219 B12R1.1005 CC(=O)c1cc(c(c(c1)O)Cl)O 1458a_100000074654_200000210301 [2,0,0,0,0,0|2,0,0]=4 220 B12R1.1005 CC(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_200000210301 [2,0,0,0,0,0|1,0,0]=3 221 B12R1.1005 Cc1c(cc(cc1O)C(=O)[13CH3])O 1458a_100000031928_200025704644 [2,0,0,0,0,0|2,0,0]=4 222 B12R1.1005 Cc1cc(cc(c1Br)C)C(=O)[13CH3] 1458a_100000700660_200025704644 [2,0,0,0,0,0|2,0,0]=4 223 B12R1.1005 Cc1cc(cc(c1C)C)C(=O)[13CH3] 1458a_100000075298_200025704644 [2,0,0,0,0,0|2,0,0]=4 224 B12R1.1005 Cc1cc(cc(c1Cl)C)C(=O)[13CH3] 1458a_100000102532_200025704644 [2,0,0,0,0,0|2,0,0]=4 225 B12R1.1005 Cc1cc(cc(c1F)C)C(=O)[13CH3] 1458a_100000741972_200025704644 [2,0,0,0,0,0|2,0,0]=4 226 B12R1.1005 Cc1cc(cc(c1I)C)C(=O)[13CH3] 1458a_100010769667_200025704644 [2,0,0,0,0,0|2,0,0]=4 227 B12R1.1005 Cc1cc(cc(c1O)C)B(O)O 271570a_203496583355_100010769218 [2,0,0,0,0,0|1,0,1]=4 228 B12R1.1005 Cc1cc(cc(c1O)C)C(=O)N 271570a_203496583355_200009816865 [2,0,0,0,0,0|1,0,0]=3 229 B12R1.1005 Cc1cc(cc(c1O)C)C(=O)[13CH3] 1458a_100011219978_200025704644 [2,0,0,0,0,0|1,0,0]=3 230 B12R1.1005 NC(=O)c1cc(c(c(c1)O)O)O 271570a_203496583355_200009814324 [2,0,0,0,0,0|1,0,0]=3 231 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)Br)O)O 1458a_200009992764_200025704644 [2,0,0,0,0,0|2,0,0]=4 232 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)Cl)O)O 1458a_200000078382_200025704644 [2,0,0,0,0,0|2,0,0]=4 233 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)O)Cl)O 1458a_100000074654_200025704644 [2,0,0,0,0,0|2,0,0]=4 234 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_200025704644 [2,0,0,0,0,0|1,0,0]=3 235 B12R1.58 C=Cc1cc(cc(c1)OC)C=O 271570a_100011290941_100009816777 [2,0,0,0,0,0|1,0,1]=4 236 B12R1.58 C=Cc1cc(cc(c1)OC)OC 271570a_100011290941_100000685218 [2,0,0,0,0,0|1,0,0]=3 237 B12R1.58 C=Cc1cc(cc(c1)SC)OC 271570a_100011290941_200010709149 [2,0,0,0,0,0|1,1,0]=4 238 B12R1.58 C=Cc1cc(cc(n1)OC)OC 271570a_100011290941_100010008354 [2,0,0,0,0,0|2,0,0]=4 239 B12R1.58 CNc1cc(cc(c1)OC)CO 2230a_100012182899_200000210301 [2,0,0,0,0,0|1,0,1]=4 240 B12R1.58 CNc1cc(cc(c1)OC)CO 34a_100012182899_200000210301 [2,0,0,0,0,0|1,0,1]=4 241 B12R1.58 CNc1cc(cc(c1)OC)OC 2230a_100000210928_200000210301 [2,0,0,0,0,0|2,0,0]=4 242 B12R1.58 CNc1cc(cc(c1)OC)OC 34a_100000210928_200000210301 [2,0,0,0,0,0|2,0,0]=4 243 B12R1.58 COc1cc(cc(c1)N[13CH3])CO 2230a_100012182899_200025704644 [2,0,0,0,0,0|1,0,1]=4 244 B12R1.58 COc1cc(cc(c1)N[13CH3])CO 34a_100012182899_200025704644 [2,0,0,0,0,0|1,0,1]=4 245 B12R1.58 COc1cc(cc(c1)OC)N[13CH3] 2230a_100000210928_200025704644 [2,0,0,0,0,0|2,0,0]=4 246 B12R1.58 COc1cc(cc(c1)OC)N[13CH3] 34a_100000210928_200025704644 [2,0,0,0,0,0|2,0,0]=4 247 B12R1.58 COc1cc(cc(c1)OC)OC 34a_100000181322_200000210301 [2,0,0,0,0,0|2,0,0]=4 248 B12R1.58 COc1cc(cc(c1)OC)OC 7a_100000181322_200000210301 [2,0,0,0,0,0|2,0,0]=4 249 B12R1.58 COc1cc(cc(c1)O[13CH3])OC 34a_100000181322_200025704644 [2,0,0,0,0,0|2,0,0]=4 250 B12R1.58 COc1cc(cc(c1)O[13CH3])OC 7a_100000181322_200025704644 [2,0,0,0,0,0|2,0,0]=4 251 B12R1.58 COc1cc(cc(c1)SC)C=O 62a_100009816777_200000210301 [2,0,0,0,0,0|0,1,0]=3 252 B12R1.58 COc1cc(cc(c1)SC)C=O 62a_200000210301_100009816777 [2,0,0,0,0,0|0,1,0]=3 253 B12R1.58 COc1cc(cc(c1)SC)CO 62a_100009995317_200000210301 [2,0,0,0,0,0|0,1,1]=4 254 B12R1.58 COc1cc(cc(c1)SC)CO 62a_200000210301_100009995317 [2,0,0,0,0,0|0,1,1]=4 255 B12R1.58 COc1cc(cc(c1)SC)OC 62a_200000210301_100000685218 [2,0,0,0,0,0|2,0,0]=4 256 B12R1.58 COc1cc(cc(c1)S[13CH3])C=O 62a_100009816777_200025704644 [2,0,0,0,0,0|0,1,0]=3 257 B12R1.58 COc1cc(cc(c1)S[13CH3])C=O 62a_200025704644_100009816777 [2,0,0,0,0,0|0,1,0]=3 258 B12R1.58 COc1cc(cc(c1)S[13CH3])CO 62a_100009995317_200025704644 [2,0,0,0,0,0|0,1,1]=4 259 B12R1.58 COc1cc(cc(c1)S[13CH3])CO 62a_200025704644_100009995317 [2,0,0,0,0,0|0,1,1]=4 260 B12R1.58 COc1cc(cc(c1)S[13CH3])OC 62a_200025704644_100000685218 [2,0,0,0,0,0|2,0,0]=4 261 B12R1.58 COc1cc(nc(c1)SC)C=O 62a_200000210301_200009844316 [2,0,0,0,0,0|1,1,0]=4 262 B12R1.58 COc1cc(nc(c1)SC)C=O 62a_200009844316_200000210301 [2,0,0,0,0,0|1,1,0]=4 263 B12R1.58 COc1cc(nc(c1)S[13CH3])C=O 62a_200009844316_200025704644 [2,0,0,0,0,0|1,1,0]=4 264 B12R1.58 COc1cc(nc(c1)S[13CH3])C=O 62a_200025704644_200009844316 [2,0,0,0,0,0|1,1,0]=4 265 B12R1.235 COc1cc(cc(c1F)OC)Br 34a_200015524394_200000210301 [2,0,0,0,0,0|2,0,0]=4 266 B12R1.235 COc1cc(cc(c1F)OC)Br 7a_200015524394_200000210301 [2,0,0,0,0,0|2,0,0]=4 267 B12R1.235 COc1cc(cc(c1F)OC)O 271570a_203496583355_100015304952 [2,0,0,0,0,0|1,0,0]=3 268 B12R1.235 COc1cc(cc(c1F)O[13CH3])Br 34a_200015524394_200025704644 [2,0,0,0,0,0|2,0,0]=4 269 B12R1.235 COc1cc(cc(c1F)O[13CH3])Br 7a_200015524394_200025704644 [2,0,0,0,0,0|2,0,0]=4 270 B12R1.235 COc1cc(cc(c1O)CO)O 271570a_203496583355_100000185604 [2,0,0,0,0,0|2,0,0]=4 271 B12R1.235 COc1cc(cc(c1O)OC)O 271570a_203496583355_100000691893 [2,0,0,0,0,0|0,0,0]=2 272 B12R1.235 COc1cc(cc(c1O)SC)F 62a_200000210301_200010391102 [2,0,0,0,0,0|1,1,0]=4 273 B12R1.235 COc1cc(cc(c1O)S[13CH3])F 62a_200025704644_200010391102 [2,0,0,0,0,0|1,1,0]=4 274 B14R1.350 COc1cc(cc(c1OC)Cl)C(=O)C 1458a_100000180162_200000210301 [1,1,0,0,0,0|2,0,0]=4 275 B14R1.350 COc1cc(cc(c1OC)Cl)C(=O)[13CH3] 1458a_100000180162_200025704644 [1,1,0,0,0,0|2,0,0]=4 276 B14R1.350 COc1cc(cc(c1OC)O)C(=O)C 1458a_100000032013_200000210301 [1,1,0,0,0,0|1,0,0]=3 277 B14R1.350 COc1cc(cc(c1OC)O)C(=O)[13CH3] 1458a_100000032013_200025704644 [1,1,0,0,0,0|1,0,0]=3 278 B14R1.358 CCC(=O)c1cc(c(c(c1)OC)O)Cl 1458a_100000209947_100000210202 [1,1,0,0,0,0|2,0,0]=4 279 B14R1.358 CCC(=O)c1cc(c(c(c1)OC)O)O 1458a_100000061230_100000210202 [1,1,0,0,0,0|1,0,0]=3 280 B14R1.358 CNC(=O)c1cc(c(c(c1)OC)O)Cl 240690a_100102657272_100000209947 [1,1,0,0,0,0|2,0,0]=4 281 B14R1.358 COC(=O)c1cc(c(c(c1)C=O)O)O 271570a_203496583355_100010724619 [1,1,0,0,0,0|2,0,0]=4 282 B14R1.358 COC(=O)c1cc(c(c(c1)OC)C)F 34a_100000101006_200000210301 [1,1,0,0,0,0|2,0,0]=4 283 B14R1.358 COC(=O)c1cc(c(c(c1)OC)C)F 7a_100000101006_200000210301 [1,1,0,0,0,0|2,0,0]=4 284 B14R1.358 COC(=O)c1cc(c(c(c1)OC)Cl)Br 34a_200020639753_200000210301 [1,1,0,0,0,0|2,0,0]=4 285 B14R1.358 COC(=O)c1cc(c(c(c1)OC)Cl)Br 7a_200020639753_200000210301 [1,1,0,0,0,0|2,0,0]=4 286 B14R1.358 COC(=O)c1cc(c(c(c1)OC)N)O 271570a_203496583355_100010236038 [1,1,0,0,0,0|1,0,0]=3 287 B14R1.358 COC(=O)c1cc(c(c(c1)OC)O)O 271570a_203496583355_200009811556 [1,1,0,0,0,0|0,0,0]=2 288 B14R1.358 COC(=O)c1cc(c(c(c1)O[13CH3])C)F 34a_100000101006_200025704644 [1,1,0,0,0,0|2,0,0]=4 289 B14R1.358 COC(=O)c1cc(c(c(c1)O[13CH3])C)F 7a_100000101006_200025704644 [1,1,0,0,0,0|2,0,0]=4 290 B14R1.358 COC(=O)c1cc(c(c(c1)O[13CH3])Cl)Br 34a_200020639753_200025704644 [1,1,0,0,0,0|2,0,0]=4 291 B14R1.358 COC(=O)c1cc(c(c(c1)O[13CH3])Cl)Br 7a_200020639753_200025704644 [1,1,0,0,0,0|2,0,0]=4 292 B14R1.358 COC(=O)c1cc(c(c(c1)SC)N)C 62a_100010177015_200000210301 [1,1,0,0,0,0|1,1,0]=4 293 B14R1.358 COC(=O)c1cc(c(c(c1)SC)N)C 62a_200000210301_100010177015 [1,1,0,0,0,0|1,1,0]=4 294 B14R1.358 COC(=O)c1cc(c(c(c1)SC)O)Cl 62a_100135280131_200000210301 [1,1,0,0,0,0|1,1,0]=4 295 B14R1.358 COC(=O)c1cc(c(c(c1)SC)O)Cl 62a_200000210301_100135280131 [1,1,0,0,0,0|1,1,0]=4 296 B14R1.358 COC(=O)c1cc(c(c(c1)SC)O)N 62a_100010372079_200000210301 [1,1,0,0,0,0|1,1,0]=4 297 B14R1.358 COC(=O)c1cc(c(c(c1)SC)O)N 62a_200000210301_100010372079 [1,1,0,0,0,0|1,1,0]=4 298 B14R1.358 COC(=O)c1cc(c(c(c1)S[13CH3])N)C 62a_100010177015_200025704644 [1,1,0,0,0,0|1,1,0]=4 299 B14R1.358 COC(=O)c1cc(c(c(c1)S[13CH3])N)C 62a_200025704644_100010177015 [1,1,0,0,0,0|1,1,0]=4 300 B14R1.358 COC(=O)c1cc(c(c(c1)S[13CH3])O)Cl 62a_100135280131_200025704644 [1,1,0,0,0,0|1,1,0]=4 301 B14R1.358 COC(=O)c1cc(c(c(c1)S[13CH3])O)Cl 62a_200025704644_100135280131 [1,1,0,0,0,0|1,1,0]=4 302 B14R1.358 COC(=O)c1cc(c(c(c1)S[13CH3])O)N 62a_100010372079_200025704644 [1,1,0,0,0,0|1,1,0]=4 303 B14R1.358 COC(=O)c1cc(c(c(c1)S[13CH3])O)N 62a_200025704644_100010372079 [1,1,0,0,0,0|1,1,0]=4 304 B14R1.358 COc1cc(cc(c1O)Cl)C(=O)CF 1458a_100000209947_100015361967 [1,1,0,0,0,0|2,0,0]=4 305 B14R1.358 COc1cc(cc(c1O)O)C(=O)CF 1458a_100000061230_100015361967 [1,1,0,0,0,0|1,0,0]=3 306 B14R1.569 COc1cc(c(c(c1O)Cl)Cl)C(=O)C 1458a_200000065980_200000210301 [1,1,0,0,0,0|2,0,0]=4 307 B14R1.569 COc1cc(c(c(c1O)Cl)Cl)C(=O)[13CH3] 1458a_200000065980_200025704644 [1,1,0,0,0,0|2,0,0]=4 308 B14R1.5293 CCOc1cc(cc(c1O)Cl)C(=O)C 1458a_100000010658_200000210301 [1,1,0,0,0,0|2,0,0]=4 309 B14R1.5293 CCOc1cc(cc(c1O)Cl)C(=O)[13CH3] 1458a_100000010658_200025704644 [1,1,0,0,0,0|2,0,0]=4 310 B14R1.345 C=C(C)c1cc(cc(c1)C(=O)C)OC 271570a_100000694244_100010713257 [1,1,0,0,0,0|2,0,0]=4 311 B14R1.345 C=C(C)c1cc(cc(c1)C(=O)N)OC 271570a_100000694244_100010146780 [1,1,0,0,0,0|2,0,0]=4 312 B14R1.357 C=Cc1cc(cc(c1)C(=O)OC)OC 271570a_100011290941_200010233337 [1,1,0,0,0,0|1,0,1]=4 313 B14R1.357 CCC(=O)c1cc(cc(c1)OC)OC 1458a_100000210870_100000210202 [1,1,0,0,0,0|1,0,0]=3 314 B14R1.357 CNC(=O)c1cc(cc(c1)OC)OC 11a_106832991635_100000210870 [1,1,0,0,0,0|1,0,0]=3 315 B14R1.357 CNC(=O)c1cc(cc(c1)OC)OC 1626a_100102657272_100000210870 [1,1,0,0,0,0|1,0,0]=3 316 B14R1.357 CNC(=O)c1cc(cc(c1)OC)OC 240690a_100102657272_100000210870 [1,1,0,0,0,0|1,0,0]=3 317 B14R1.357 CNC(=O)c1cc(cc(c1)OC)OC 527a_100102657272_100000210870 [1,1,0,0,0,0|1,0,0]=3 318 B14R1.357 CNc1cc(nc(c1)C(=O)OC)OC 27a_100102657272_100010136341 [1,1,0,0,0,0|2,0,0]=4 319 B14R1.357 COC(=O)c1cc(cc(c1)OC)OC 34a_100000076322_200000210301 [1,1,0,0,0,0|0,0,0]=2 320 B14R1.357 COC(=O)c1cc(cc(c1)OC)OC 7a_100000076322_200000210301 [1,1,0,0,0,0|0,0,0]=2 321 B14R1.357 COC(=O)c1cc(cc(c1)O[13CH3])OC 34a_100000076322_200025704644 [1,1,0,0,0,0|0,0,0]=2 322 B14R1.357 COC(=O)c1cc(cc(c1)O[13CH3])OC 7a_100000076322_200025704644 [1,1,0,0,0,0|0,0,0]=2 323 B14R1.357 COC(=O)c1cc(cc(c1)SC)OC 62a_200000210301_200010233337 [1,1,0,0,0,0|0,1,0]=3 324 B14R1.357 COC(=O)c1cc(cc(c1)SC)OC 62a_200010233337_200000210301 [1,1,0,0,0,0|0,1,0]=3 325 B14R1.357 COC(=O)c1cc(cc(c1)S[13CH3])OC 62a_200010233337_200025704644 [1,1,0,0,0,0|0,1,0]=3 326 B14R1.357 COC(=O)c1cc(cc(c1)S[13CH3])OC 62a_200025704644_200010233337 [1,1,0,0,0,0|0,1,0]=3 327 B14R1.357 COC(=O)c1cc(cc(n1)OC)SC 62a_100010136341_200000210301 [1,1,0,0,0,0|1,1,0]=4 328 B14R1.357 COC(=O)c1cc(cc(n1)OC)SC 62a_200000210301_100010136341 [1,1,0,0,0,0|1,1,0]=4 329 B14R1.357 COC(=O)c1cc(cc(n1)OC)S[13CH3] 62a_100010136341_200025704644 [1,1,0,0,0,0|1,1,0]=4 330 B14R1.357 COC(=O)c1cc(cc(n1)OC)S[13CH3] 62a_200025704644_100010136341 [1,1,0,0,0,0|1,1,0]=4 331 B14R1.357 COC(=O)c1cc(cc(n1)SC)OC 62a_100010161163_200000210301 [1,1,0,0,0,0|1,1,0]=4 332 B14R1.357 COC(=O)c1cc(cc(n1)SC)OC 62a_200000210301_100010161163 [1,1,0,0,0,0|1,1,0]=4 333 B14R1.357 COC(=O)c1cc(cc(n1)S[13CH3])OC 62a_100010161163_200025704644 [1,1,0,0,0,0|1,1,0]=4 334 B14R1.357 COC(=O)c1cc(cc(n1)S[13CH3])OC 62a_200025704644_100010161163 [1,1,0,0,0,0|1,1,0]=4 335 B14R1.357 COC(=O)c1cc(nc(c1)SC)OC 62a_100009994165_200000210301 [1,1,0,0,0,0|1,1,0]=4 336 B14R1.357 COC(=O)c1cc(nc(c1)SC)OC 62a_200000210301_100009994165 [1,1,0,0,0,0|1,1,0]=4 337 B14R1.357 COC(=O)c1cc(nc(c1)S[13CH3])OC 62a_100009994165_200025704644 [1,1,0,0,0,0|1,1,0]=4 338 B14R1.357 COC(=O)c1cc(nc(c1)S[13CH3])OC 62a_200025704644_100009994165 [1,1,0,0,0,0|1,1,0]=4 339 B14R1.357 COc1cc(cc(c1)C(=O)CF)OC 1458a_100000210870_100015361967 [1,1,0,0,0,0|1,0,0]=3 340 B14R1.3212 CC=Cc1cc(cc(c1)C(=O)C)OC 271570a_100016259895_100010713257 [1,1,0,0,0,0|2,0,0]=4 341 B14R1.3212 CC=Cc1cc(cc(c1)C(=O)N)OC 271570a_100016259895_100010146780 [1,1,0,0,0,0|2,0,0]=4 342 B14R1.3212 CCNc1cc(cc(c1)C(=O)N)OC 34a_200012187661_100000210202 [1,1,0,0,0,0|2,0,0]=4 343 B14R1.3212 CCNc1cc(cc(c1)C(=O)N)OC 7a_200012187661_100000210202 [1,1,0,0,0,0|2,0,0]=4 344 B14R1.3212 CCSc1cc(cc(c1)C(=O)C)OC 62a_100000210202_100010713257 [1,1,0,0,0,0|1,1,0]=4 345 B14R1.3212 CCSc1cc(cc(c1)C(=O)C)OC 62a_100010713257_100000210202 [1,1,0,0,0,0|1,1,0]=4 346 B14R1.3212 CCSc1cc(cc(c1)C(=O)N)OC 62a_100000210202_100010146780 [1,1,0,0,0,0|1,1,0]=4 347 B14R1.3212 CCSc1cc(cc(c1)C(=O)N)OC 62a_100010146780_100000210202 [1,1,0,0,0,0|1,1,0]=4 348 B14R1.3212 COc1cc(cc(c1)C(=O)C)SCF 62a_100010713257_100015361967 [1,1,0,0,0,0|1,1,0]=4 349 B14R1.3212 COc1cc(cc(c1)C(=O)C)SCF 62a_100015361967_100010713257 [1,1,0,0,0,0|1,1,0]=4 350 B14R1.3212 COc1cc(cc(c1)C(=O)N)NCF 34a_200012187661_100015361967 [1,1,0,0,0,0|2,0,0]=4 351 B14R1.3212 COc1cc(cc(c1)C(=O)N)NCF 7a_200012187661_100015361967 [1,1,0,0,0,0|2,0,0]=4 352 B14R1.3212 COc1cc(cc(c1)C(=O)N)SCF 62a_100010146780_100015361967 [1,1,0,0,0,0|1,1,0]=4 353 B14R1.3212 COc1cc(cc(c1)C(=O)N)SCF 62a_100015361967_100010146780 [1,1,0,0,0,0|1,1,0]=4 354 B14R1.576 C=Cc1c(cc(cc1OC)CO)OC 271570a_100011290941_100010169844 [1,1,0,0,0,0|1,0,1]=4 355 B14R1.576 C=Cc1cc(c(c(c1)OC)C=O)OC 271570a_100011290941_100010380724 [1,1,0,0,0,0|1,0,1]=4 356 B14R1.576 C=Cc1cc(c(c(c1)OC)OC)OC 271570a_100011290941_100009814342 [1,1,0,0,0,0|1,0,0]=3 357 B14R1.576 C=Cc1cc(cc(c1OC)OC)C=O 271570a_100011290941_100000188315 [1,1,0,0,0,0|1,0,1]=4 358 B14R1.576 CNc1cc(c(c(c1)OC)OC)OC 34a_100000209829_200000210301 [1,1,0,0,0,0|2,0,0]=4 359 B14R1.576 COc1cc(c(c(c1)OC)OC)OC 34a_100000757337_200000210301 [1,1,0,0,0,0|2,0,0]=4 360 B14R1.576 COc1cc(c(c(c1)OC)OC)OC 34a_200000073592_200000210301 [1,1,0,0,0,0|2,0,0]=4 361 B14R1.576 COc1cc(c(c(c1)OC)O[13CH3])OC 34a_200000073592_200025704644 [1,1,0,0,0,0|2,0,0]=4 362 B14R1.576 COc1cc(cc(c1OC)OC)CO 34a_200011216933_200000210301 [1,1,0,0,0,0|0,0,1]=3 363 B14R1.576 COc1cc(cc(c1OC)OC)N[13CH3] 34a_100000209829_200025704644 [1,1,0,0,0,0|2,0,0]=4 364 B14R1.576 COc1cc(cc(c1OC)OC)O[13CH3] 34a_100000757337_200025704644 [1,1,0,0,0,0|2,0,0]=4 365 B14R1.576 COc1cc(cc(c1OC)SC)C=O 62a_100000188315_200000210301 [1,1,0,0,0,0|0,1,0]=3 366 B14R1.576 COc1cc(cc(c1OC)SC)C=O 62a_200000210301_100000188315 [1,1,0,0,0,0|0,1,0]=3 367 B14R1.576 COc1cc(cc(c1OC)SC)CO 62a_200000210301_200000215730 [1,1,0,0,0,0|0,1,1]=4 368 B14R1.576 COc1cc(cc(c1OC)SC)CO 62a_200000215730_200000210301 [1,1,0,0,0,0|0,1,1]=4 369 B14R1.576 COc1cc(cc(c1OC)S[13CH3])C=O 62a_100000188315_200025704644 [1,1,0,0,0,0|0,1,0]=3 370 B14R1.576 COc1cc(cc(c1OC)S[13CH3])C=O 62a_200025704644_100000188315 [1,1,0,0,0,0|0,1,0]=3 371 B14R1.576 COc1cc(cc(c1OC)S[13CH3])CO 62a_200000215730_200025704644 [1,1,0,0,0,0|0,1,1]=4 372 B14R1.576 COc1cc(cc(c1OC)S[13CH3])CO 62a_200025704644_200000215730 [1,1,0,0,0,0|0,1,1]=4 373 B14R1.576 COc1cc(cc(c1O[13CH3])OC)CO 34a_200011216933_200025704644 [1,1,0,0,0,0|0,0,1]=3 374 B14R1.576 COc1cc(cc(c1SC)OC)C=O 62a_100009814401_200000210301 [1,1,0,0,0,0|0,1,0]=3 375 B14R1.576 COc1cc(cc(c1SC)OC)C=O 62a_200000210301_100009814401 [1,1,0,0,0,0|0,1,0]=3 376 B14R1.576 COc1cc(cc(c1SC)OC)CO 62a_100010169844_200000210301 [1,1,0,0,0,0|0,1,1]=4 377 B14R1.576 COc1cc(cc(c1SC)OC)CO 62a_200000210301_100010169844 [1,1,0,0,0,0|0,1,1]=4 378 B14R1.576 COc1cc(cc(c1S[13CH3])OC)C=O 62a_100009814401_200025704644 [1,1,0,0,0,0|0,1,0]=3 379 B14R1.576 COc1cc(cc(c1S[13CH3])OC)C=O 62a_200025704644_100009814401 [1,1,0,0,0,0|0,1,0]=3 380 B14R1.576 COc1cc(cc(c1S[13CH3])OC)CO 62a_100010169844_200025704644 [1,1,0,0,0,0|0,1,1]=4 381 B14R1.576 COc1cc(cc(c1S[13CH3])OC)CO 62a_200025704644_100010169844 [1,1,0,0,0,0|0,1,1]=4 382 B14R1.3200 C=C=Cc1cc(cc(c1O)OC)C=O 271570a_100015277604_100000184534 [1,1,0,0,0,0|1,0,1]=4 383 B14R1.3200 C=Cc1cc(cc(c1O)OCC)C=O 271570a_100011290941_100000183328 [1,1,0,0,0,0|1,0,1]=4 384 B14R1.3200 CC=Cc1cc(cc(c1O)OC)C=O 271570a_100016259895_100000184534 [1,1,0,0,0,0|1,0,0]=3 385 B14R1.3200 CC=Cc1cc(cc(c1O)OC)CO 271570a_100016259895_200000022573 [1,1,0,0,0,0|1,0,1]=4 386 B14R1.3200 CCOc1cc(cc(c1O)SC)C=O 62a_200000210301_100000183328 [1,1,0,0,0,0|0,1,0]=3 387 B14R1.3200 CCOc1cc(cc(c1O)S[13CH3])C=O 62a_200025704644_100000183328 [1,1,0,0,0,0|0,1,0]=3 388 B14R1.3200 CCSc1cc(cc(c1O)OC)C=O 62a_100000210202_100000184534 [1,1,0,0,0,0|0,1,0]=3 389 B14R1.3200 CCSc1cc(cc(c1O)OC)CO 62a_100000210202_200000022573 [1,1,0,0,0,0|0,1,1]=4 390 B14R1.3200 COc1cc(cc(c1O)SCF)C=O 62a_100015361967_100000184534 [1,1,0,0,0,0|0,1,0]=3 391 B14R1.3200 COc1cc(cc(c1O)SCF)CO 62a_100015361967_200000022573 [1,1,0,0,0,0|0,1,1]=4 392 B14R1.3236 C=C=Cc1cc(c(c(c1)OC)F)OC 271570a_100015277604_100015304952 [1,1,0,0,0,0|2,0,0]=4 393 B14R1.3236 C=C=Cc1cc(c(c(c1)OC)O)OC 271570a_100015277604_100000691893 [1,1,0,0,0,0|1,0,0]=3 394 B14R1.3236 CC=Cc1cc(c(c(c1)OC)F)OC 271570a_100016259895_100015304952 [1,1,0,0,0,0|2,0,0]=4 395 B14R1.3236 CC=Cc1cc(c(c(c1)OC)O)OC 271570a_100016259895_100000691893 [1,1,0,0,0,0|1,0,0]=3 396 B14R1.3236 COCc1cc(c(c(c1)OC)Br)OC 34a_100010169844_200000210301 [1,1,0,0,0,0|1,0,1]=4 397 B14R1.3236 COCc1cc(c(c(c1)OC)Br)OC 7a_100010169844_200000210301 [1,1,0,0,0,0|1,0,1]=4 398 B14R1.3236 COc1cc(cc(c1Br)OC)CO[13CH3] 34a_100010169844_200025704644 [1,1,0,0,0,0|1,0,1]=4 399 B14R1.3236 COc1cc(cc(c1Br)OC)CO[13CH3] 7a_100010169844_200025704644 [1,1,0,0,0,0|1,0,1]=4 400 B16R1.412 COc1cc(cc(c1OC)OC)C=C(C)C 271570a_100102525489_100009814342 [0,1,0,0,0,1|2,0,0]=4 401 B16R1.412 COc1cc(cc(c1OC)OC)CC(=O)C 1458a_100000209934_200000210301 [0,1,0,0,0,1|1,0,0]=3 402 B16R1.412 COc1cc(cc(c1OC)OC)CC(=O)C 34a_200009994829_200000210301 [0,1,0,0,0,1|1,0,0]=3 403 B16R1.412 COc1cc(cc(c1OC)OC)CC(=O)[13CH3] 1458a_100000209934_200025704644 [0,1,0,0,0,1|1,0,0]=3 404 B16R1.412 COc1cc(cc(c1OC)OC)NC(=O)C 11a_100000209829_100015343762 [0,1,0,0,0,1|1,0,0]=3 405 B16R1.412 COc1cc(cc(c1OC)OC)NC(=O)C 1626a_100000209829_100015343762 [0,1,0,0,0,1|1,0,0]=3 406 B16R1.412 COc1cc(cc(c1OC)OC)NC(=O)C 22a_100000209829_100000070787 [0,1,0,0,0,1|1,0,0]=3 407 B16R1.412 COc1cc(cc(c1OC)OC)NC(=O)C 527a_100000209829_100103153847 [0,1,0,0,0,1|1,0,0]=3 408 B16R1.412 COc1cc(cc(c1OC)O[13CH3])CC(=O)C 34a_200009994829_200025704644 [0,1,0,0,0,1|1,0,0]=3 409 B16R1.422 COc1cc(cc(c1O)OC)C(=C(C)C)C 271570a_200000049429_100000691893 [0,1,0,0,0,1|2,0,0]=4 410 B16R1.11588 C=CC(=O)Nc1cc(c(c(c1)OC)Cl)OC 1626a_100009986809_100000185746 [0,1,0,0,0,1|2,0,0]=4 411 B16R1.11588 C=CC(=O)Nc1cc(c(c(c1)OC)Cl)OC 22a_100009986809_100000185746 [0,1,0,0,0,1|2,0,0]=4 412 B16R1.11588 CCC(=O)Cc1cc(c(c(c1)OC)O)OC 1458a_100000043605_100000210202 [0,1,0,0,0,1|1,0,0]=3 413 B16R1.11588 CCC(=O)Nc1cc(c(c(c1)OC)Cl)OC 11a_100009986809_100000210414 [0,1,0,0,0,1|2,0,0]=4 414 B16R1.11588 CCC(=O)Nc1cc(c(c(c1)OC)Cl)OC 1626a_100009986809_100000210414 [0,1,0,0,0,1|2,0,0]=4 415 B16R1.11588 CCC(=O)Nc1cc(c(c(c1)OC)Cl)OC 22a_100009986809_100000210414 [0,1,0,0,0,1|2,0,0]=4 416 B16R1.11588 CCC(=O)Nc1cc(c(c(c1)OC)Cl)OC 527a_100009986809_100000210414 [0,1,0,0,0,1|2,0,0]=4 417 B16R1.11588 CNC(=O)Cc1cc(c(c(c1)OC)O)OC 240690a_100102657272_100000043605 [0,1,0,0,0,1|1,0,0]=3 418 B16R1.11588 CNC(=O)Cc1cc(c(c(c1)OC)O)OC 527a_100102657272_100000043605 [0,1,0,0,0,1|1,0,0]=3 419 B16R1.11588 CNC(=O)Nc1cc(c(c(c1)OC)Cl)OC 2430a_100009986809_100102657272 [0,1,0,0,0,1|2,0,0]=4 420 B16R1.11588 CNC(=O)Nc1cc(c(c(c1)OC)Cl)OC 512a_100009986809_100102657272 [0,1,0,0,0,1|2,0,0]=4 421 B16R1.11588 COc1cc(cc(c1Cl)OC)NC(=O)CO 22a_100009986809_100000210174 [0,1,0,0,0,1|1,0,0]=3 422 B16R1.11588 COc1cc(cc(c1Cl)OC)NC(=O)CO 527a_100009986809_100000210174 [0,1,0,0,0,1|1,0,0]=3 423 B16R1.11588 COc1cc(cc(c1O)OC)C=C(C)C#N 6a_100000212162_200000212204 [0,1,0,0,0,1|2,0,0]=4 424 B16R1.11588 COc1cc(cc(c1O)OC)C=C(F)C#N 6a_100000212162_200000032654 [0,1,0,0,0,1|2,0,0]=4 425 B16R1.11588 COc1cc(cc(c1O)OC)CC(=O)CF 1458a_100000043605_100015361967 [0,1,0,0,0,1|1,0,0]=3 426 B16R1.4019 CCOc1cc(cc(c1OC)OC)[N+](=O)[O-] 34a_200009884383_100000210202 [0,2,0,0,0,0|1,0,1]=4 427 B16R1.4019 COc1cc(cc(c1OC)OCF)[N+](=O)[O-] 34a_200009884383_100015361967 [0,2,0,0,0,0|1,0,1]=4 428 B16R1.11459 C=Cc1c(cc(cc1OC)C(=O)OC)OC 271570a_100011290941_100000216665 [0,2,0,0,0,0|1,0,0]=3 429 B16R1.11459 C=Cc1cc(cc(c1OC)OC)C(=O)OC 271570a_100011290941_100000727075 [0,2,0,0,0,0|1,0,1]=4 430 B16R1.11459 CCC(=O)c1cc(c(c(c1)OC)OC)OC 1458a_100000210649_100000210202 [0,2,0,0,0,0|1,0,0]=3 431 B16R1.11459 CNC(=O)c1cc(c(c(c1)OC)OC)OC 11a_106832991635_100000210649 [0,2,0,0,0,0|1,0,0]=3 432 B16R1.11459 CNC(=O)c1cc(c(c(c1)OC)OC)OC 1626a_100102657272_100000210649 [0,2,0,0,0,0|1,0,0]=3 433 B16R1.11459 CNC(=O)c1cc(c(c(c1)OC)OC)OC 240690a_100102657272_100000210649 [0,2,0,0,0,0|1,0,0]=3 434 B16R1.11459 CNC(=O)c1cc(c(c(c1)OC)OC)OC 527a_100102657272_100000210649 [0,2,0,0,0,0|1,0,0]=3 435 B16R1.11459 COC(=O)c1cc(c(c(c1)OC)OC)OC 34a_100000034562_200000210301 [0,2,0,0,0,0|0,0,0]=2 436 B16R1.11459 COC(=O)c1cc(c(c(c1)OC)OC)OC 34a_200000066220_200000210301 [0,2,0,0,0,0|0,0,0]=2 437 B16R1.11459 COC(=O)c1cc(c(c(c1)OC)OC)OC 7a_100000034562_200000210301 [0,2,0,0,0,0|0,0,0]=2 438 B16R1.11459 COC(=O)c1cc(c(c(c1)OC)OC)OC 7a_200000066220_200000210301 [0,2,0,0,0,0|0,0,0]=2 439 B16R1.11459 COC(=O)c1cc(c(c(c1)OC)O[13CH3])OC 34a_100000034562_200025704644 [0,2,0,0,0,0|0,0,0]=2 440 B16R1.11459 COC(=O)c1cc(c(c(c1)OC)O[13CH3])OC 7a_100000034562_200025704644 [0,2,0,0,0,0|0,0,0]=2 441 B16R1.11459 COC(=O)c1cc(c(c(c1)OC)SC)OC 62a_100000216665_200000210301 [0,2,0,0,0,0|0,1,0]=3 442 B16R1.11459 COC(=O)c1cc(c(c(c1)OC)SC)OC 62a_200000210301_100000216665 [0,2,0,0,0,0|0,1,0]=3 443 B16R1.11459 COC(=O)c1cc(c(c(c1)OC)S[13CH3])OC 62a_100000216665_200025704644 [0,2,0,0,0,0|0,1,0]=3 444 B16R1.11459 COC(=O)c1cc(c(c(c1)OC)S[13CH3])OC 62a_200025704644_100000216665 [0,2,0,0,0,0|0,1,0]=3 445 B16R1.11459 COC(=O)c1cc(c(c(c1)O[13CH3])OC)OC 34a_200000066220_200025704644 [0,2,0,0,0,0|0,0,0]=2 446 B16R1.11459 COC(=O)c1cc(c(c(c1)O[13CH3])OC)OC 7a_200000066220_200025704644 [0,2,0,0,0,0|0,0,0]=2 447 B16R1.11459 COC(=O)c1cc(c(c(c1)SC)OC)OC 62a_100000727075_200000210301 [0,2,0,0,0,0|0,1,0]=3 448 B16R1.11459 COC(=O)c1cc(c(c(c1)SC)OC)OC 62a_200000210301_100000727075 [0,2,0,0,0,0|0,1,0]=3 449 B16R1.11459 COC(=O)c1cc(c(c(c1)S[13CH3])OC)OC 62a_100000727075_200025704644 [0,2,0,0,0,0|0,1,0]=3 450 B16R1.11459 COC(=O)c1cc(c(c(c1)S[13CH3])OC)OC 62a_200025704644_100000727075 [0,2,0,0,0,0|0,1,0]=3 451 B16R1.11459 COc1cc(cc(c1OC)OC)C(=O)CF 1458a_100000210649_100015361967 [0,2,0,0,0,0|1,0,0]=3 452 B16R1.47451 CNCc1c(cc(cc1OC)C(=O)C)OC 26a_100102657272_100000033524 [0,2,0,0,0,0|2,0,0]=4 453 B16R1.517 C=C(C)c1cc(cc(c1N)OC)C(=O)OC 271570a_100000694244_100010236038 [0,2,0,0,0,0|2,0,0]=4 454 B16R1.517 C=C(C)c1cc(cc(c1O)OC)C(=O)OC 271570a_100000694244_200009811556 [0,2,0,0,0,0|1,0,0]=3 455 B16R1.4024 C=C=Cc1cc(cc(c1O)OC)C(=O)OC 271570a_100015277604_200009811556 [0,2,0,0,0,0|1,0,1]=4 456 B16R1.4024 CC=Cc1cc(cc(c1N)OC)C(=O)OC 271570a_100016259895_100010236038 [0,2,0,0,0,0|2,0,0]=4 457 B16R1.4024 CC=Cc1cc(cc(c1O)OC)C(=O)OC 271570a_100016259895_200009811556 [0,2,0,0,0,0|1,0,0]=3 458 B16R1.4024 CCSc1cc(cc(c1N)OC)C(=O)OC 62a_100000210202_100010236038 [0,2,0,0,0,0|1,1,0]=4 459 B16R1.4024 CCSc1cc(cc(c1N)OC)C(=O)OC 62a_100010236038_100000210202 [0,2,0,0,0,0|1,1,0]=4 460 B16R1.4024 CCSc1cc(cc(c1O)OC)C(=O)OC 62a_100000210202_200009811556 [0,2,0,0,0,0|0,1,0]=3 461 B16R1.4024 COC(=O)c1cc(c(c(c1)SCF)N)OC 62a_100010236038_100015361967 [0,2,0,0,0,0|1,1,0]=4 462 B16R1.4024 COC(=O)c1cc(c(c(c1)SCF)N)OC 62a_100015361967_100010236038 [0,2,0,0,0,0|1,1,0]=4 463 B16R1.4024 COC(=O)c1cc(c(c(c1)SCF)O)OC 62a_100015361967_200009811556 [0,2,0,0,0,0|0,1,0]=3 464 B16R1.14422 CCC(=O)c1cc(c(c(c1F)OC)F)OC 1458a_200010210147_100000210202 [0,2,0,0,0,0|2,0,0]=4 465 B16R1.14422 CNC(=O)c1cc(c(c(c1F)OC)F)OC 11a_106832991635_200010210147 [0,2,0,0,0,0|2,0,0]=4 466 B16R1.14422 CNC(=O)c1cc(c(c(c1F)OC)F)OC 1626a_100102657272_200010210147 [0,2,0,0,0,0|2,0,0]=4 467 B16R1.14422 CNC(=O)c1cc(c(c(c1F)OC)F)OC 240690a_100102657272_200010210147 [0,2,0,0,0,0|2,0,0]=4 468 B16R1.14422 CNC(=O)c1cc(c(c(c1F)OC)F)OC 527a_100102657272_200010210147 [0,2,0,0,0,0|2,0,0]=4 469 B16R1.14422 COc1cc(c(c(c1F)OC)F)C(=O)CF 1458a_200010210147_100015361967 [0,2,0,0,0,0|2,0,0]=4 470 B16R1.64535 C#CCC(=O)c1cc(c(c(c1)OC)Br)OC 1458a_100000212323_100000184674 [0,2,0,0,0,0|2,0,0]=4 471 B16R1.64535 C#CCC(=O)c1cc(c(c(c1)OC)C)OC 1458a_100000211643_100000184674 [0,2,0,0,0,0|2,0,0]=4 472 B16R1.64535 C#CCC(=O)c1cc(c(c(c1)OC)O)OC 1458a_100000692901_100000184674 [0,2,0,0,0,0|1,0,0]=3 473 B16R1.64535 C=CCC(=O)c1cc(c(c(c1)OC)Br)OC 1458a_100000212323_100000210623 [0,2,0,0,0,0|2,0,0]=4 474 B16R1.64535 C=CCC(=O)c1cc(c(c(c1)OC)C)OC 1458a_100000211643_100000210623 [0,2,0,0,0,0|2,0,0]=4 475 B16R1.64535 C=CCC(=O)c1cc(c(c(c1)OC)O)OC 1458a_100000692901_100000210623 [0,2,0,0,0,0|1,0,0]=3 476 B16R1.64535 CCCC(=O)c1cc(c(c(c1)OC)Br)OC 1458a_100000212323_100000210303 [0,2,0,0,0,0|2,0,0]=4 477 B16R1.64535 CCCC(=O)c1cc(c(c(c1)OC)C)OC 1458a_100000211643_100000210303 [0,2,0,0,0,0|2,0,0]=4 478 B16R1.64535 CCCC(=O)c1cc(c(c(c1)OC)O)OC 1458a_100000692901_100000210303 [0,2,0,0,0,0|1,0,0]=3 479 B16R1.64535 CCNC(=O)c1cc(c(c(c1)OC)Br)OC 11a_100015525214_100000212323 [0,2,0,0,0,0|2,0,0]=4 480 B16R1.64535 CCNC(=O)c1cc(c(c(c1)OC)Br)OC 240690a_100015525214_100000212323 [0,2,0,0,0,0|2,0,0]=4 481 B16R1.64535 CCNC(=O)c1cc(c(c(c1)OC)Br)OC 527a_100015525214_100000212323 [0,2,0,0,0,0|2,0,0]=4 482 B16R1.64535 CCNC(=O)c1cc(c(c(c1)OC)C)OC 11a_100015525214_100000211643 [0,2,0,0,0,0|2,0,0]=4 483 B16R1.64535 CCNC(=O)c1cc(c(c(c1)OC)C)OC 240690a_100015525214_100000211643 [0,2,0,0,0,0|2,0,0]=4 484 B16R1.64535 CCNC(=O)c1cc(c(c(c1)OC)C)OC 527a_100015525214_100000211643 [0,2,0,0,0,0|2,0,0]=4 485 B16R1.64535 CCNC(=O)c1cc(c(c(c1)OC)O)OC 240690a_100015525214_100000692901 [0,2,0,0,0,0|1,0,0]=3 486 B16R1.64535 CCNC(=O)c1cc(c(c(c1)OC)O)OC 527a_100015525214_100000692901 [0,2,0,0,0,0|1,0,0]=3 487 B16R1.64535 CNNC(=O)c1cc(c(c(c1)OC)Br)OC 22a_100016993582_100000212323 [0,2,0,0,0,0|2,0,0]=4 488 B16R1.64535 CNNC(=O)c1cc(c(c(c1)OC)C)OC 22a_100016993582_100000211643 [0,2,0,0,0,0|2,0,0]=4 489 B16R1.64535 CNNC(=O)c1cc(c(c(c1)OC)O)OC 22a_100016993582_100000692901 [0,2,0,0,0,0|1,0,0]=3 490 B16R1.64535 COc1cc(cc(c1Br)OC)C(=O)CC#N 1458a_100000212323_100011214920 [0,2,0,0,0,0|2,0,0]=4 491 B16R1.64535 COc1cc(cc(c1Br)OC)C(=O)CCF 1458a_100000212323_100011217306 [0,2,0,0,0,0|2,0,0]=4 492 B16R1.64535 COc1cc(cc(c1Br)OC)C(=O)CCO 1458a_100000212323_100000211926 [0,2,0,0,0,0|1,0,0]=3 493 B16R1.64535 COc1cc(cc(c1C)OC)C(=O)CC#N 1458a_100000211643_100011214920 [0,2,0,0,0,0|2,0,0]=4 494 B16R1.64535 COc1cc(cc(c1C)OC)C(=O)CCF 1458a_100000211643_100011217306 [0,2,0,0,0,0|2,0,0]=4 495 B16R1.64535 COc1cc(cc(c1C)OC)C(=O)CCO 1458a_100000211643_100000211926 [0,2,0,0,0,0|1,0,0]=3 496 B16R1.64535 COc1cc(cc(c1O)OC)C(=O)CC#N 1458a_100000692901_100011214920 [0,2,0,0,0,0|1,0,0]=3 497 B16R1.64535 COc1cc(cc(c1O)OC)C(=O)CCF 1458a_100000692901_100011217306 [0,2,0,0,0,0|1,0,0]=3 498 B16R1.64535 COc1cc(cc(c1O)OC)C(=O)CCO 1458a_100000692901_100000211926 [0,2,0,0,0,0|0,0,0]=2 499 B16R1.428 C=C(C)c1cc(c(c(c1)C(=O)OC)O)OC 271570a_100000694244_100010164242 [0,2,0,0,0,0|2,0,0]=4 500 B14R2.8824 CC(=O)c1cc(c2c(c1)OCO2)Br 1458a_100000744664_200000210301 [1,0,0,1,0,0|2,0,0]=4 501 B14R2.8824 [13CH3]C(=O)c1cc(c2c(c1)OCO2)Br 1458a_100000744664_200025704644 [1,0,0,1,0,0|2,0,0]=4 502 B14R2.1101 C=Cc1cc(cc2c1OCO2)C=O 271570a_100011290941_100000682445 [1,0,0,1,0,0|1,0,1]=4 503 B14R2.1101 CSc1cc(cc2c1OCC2)C=O 62a_100009816904_200000210301 [1,0,0,1,0,0|1,1,0]=4 504 B14R2.1101 CSc1cc(cc2c1OCC2)C=O 62a_200000210301_100009816904 [1,0,0,1,0,0|1,1,0]=4 505 B14R2.1101 CSc1cc(cc2c1OCO2)C=O 62a_100000682445_200000210301 [1,0,0,1,0,0|0,1,0]=3 506 B14R2.1101 [13CH3]Sc1cc(cc2c1OCC2)C=O 62a_100009816904_200025704644 [1,0,0,1,0,0|1,1,0]=4 507 B14R2.1101 [13CH3]Sc1cc(cc2c1OCC2)C=O 62a_200025704644_100009816904 [1,0,0,1,0,0|1,1,0]=4 508 B14R2.1101 [13CH3]Sc1cc(cc2c1OCO2)C=O 62a_100000682445_200025704644 [1,0,0,1,0,0|0,1,0]=3 509 B16R2.40082 COc1cc(cc2c1OCCO2)C(=O)C 1458a_100000198598_200000210301 [0,1,0,1,0,0|1,0,0]=3 510 B16R2.40082 COc1cc(cc2c1OCCO2)C(=O)[13CH3] 1458a_100000198598_200025704644 [0,1,0,1,0,0|1,0,0]=3 511 B16R2.40075 CCC(=O)c1cc(c2c(c1)OCO2)OC 1458a_100011218003_100000210202 [0,1,0,1,0,0|1,0,0]=3 512 B16R2.40075 CNC(=O)c1cc(c2c(c1)OCO2)OC 11a_106832991635_100011218003 [0,1,0,1,0,0|1,0,0]=3 513 B16R2.40075 CNC(=O)c1cc(c2c(c1)OCO2)OC 1626a_100102657272_100011218003 [0,1,0,1,0,0|1,0,0]=3 514 B16R2.40075 CNC(=O)c1cc(c2c(c1)OCO2)OC 240690a_100102657272_100011218003 [0,1,0,1,0,0|1,0,0]=3 515 B16R2.40075 CNC(=O)c1cc(c2c(c1)OCO2)OC 527a_100102657272_100011218003 [0,1,0,1,0,0|1,0,0]=3 516 B16R2.40075 COC(=O)c1cc(c2ccoc2c1)OC 34a_100000144177_200000210301 [0,1,0,1,0,0|1,0,1]=4 517 B16R2.40075 COC(=O)c1cc(c2ccoc2c1)OC 7a_100000144177_200000210301 [0,1,0,1,0,0|1,0,1]=4 518 B16R2.40075 COC(=O)c1cc(c2ccoc2c1)O[13CH3] 34a_100000144177_200025704644 [0,1,0,1,0,0|1,0,1]=4 519 B16R2.40075 COC(=O)c1cc(c2ccoc2c1)O[13CH3] 7a_100000144177_200025704644 [0,1,0,1,0,0|1,0,1]=4 520 B16R2.40075 COC(=O)c1cc2c(c(c1)SC)OCC2 62a_100021627132_200000210301 [0,1,0,1,0,0|1,1,0]=4 521 B16R2.40075 COC(=O)c1cc2c(c(c1)SC)OCC2 62a_200000210301_100021627132 [0,1,0,1,0,0|1,1,0]=4 522 B16R2.40075 COC(=O)c1cc2c(c(c1)S[13CH3])OCC2 62a_100021627132_200025704644 [0,1,0,1,0,0|1,1,0]=4 523 B16R2.40075 COC(=O)c1cc2c(c(c1)S[13CH3])OCC2 62a_200025704644_100021627132 [0,1,0,1,0,0|1,1,0]=4 524 B16R2.40075 COc1cc(cc2c1OCO2)C(=O)CF 1458a_100011218003_100015361967 [0,1,0,1,0,0|1,0,0]=3 525 B14R1.343 COc1cc(cc(c1O)Br)CC(=O)C 1458a_100009814412_200000210301 [1,0,0,0,0,1|2,0,0]=4 526 B14R1.343 COc1cc(cc(c1O)Br)CC(=O)[13CH3] 1458a_100009814412_200025704644 [1,0,0,0,0,1|2,0,0]=4 527 B14R1.379 COc1cc(cc(c1)OC)C=C(C)C 271570a_100102525489_100000685218 [1,0,0,0,0,1|2,0,0]=4 528 B14R1.379 COc1cc(cc(c1)OC)CC(=O)C 1458a_100000070787_100011215721 [1,0,0,0,0,1|1,0,0]=3 529 B14R1.379 COc1cc(cc(c1)OC)CC(=O)C 1458a_100011214962_200000210301 [1,0,0,0,0,1|1,0,0]=3 530 B14R1.379 COc1cc(cc(c1)OC)CC(=O)[13CH3] 1458a_100011214962_200025704644 [1,0,0,0,0,1|1,0,0]=3 531 B14R1.379 COc1cc(cc(c1)OC)NC(=O)C 11a_100000210928_100015343762 [1,0,0,0,0,1|1,0,0]=3 532 B14R1.379 COc1cc(cc(c1)OC)NC(=O)C 1626a_100000210928_100015343762 [1,0,0,0,0,1|1,0,0]=3 533 B14R1.379 COc1cc(cc(c1)OC)NC(=O)C 22a_100000210928_100000070787 [1,0,0,0,0,1|1,0,0]=3 534 B14R1.379 COc1cc(cc(c1)OC)NC(=O)C 527a_100000210928_100103153847 [1,0,0,0,0,1|1,0,0]=3 535 B14R1.564 C=C(C)c1cc(cc(c1OC)O)OC 271570a_100000694244_200020900881 [0,0,0,0,1,1|2,0,0]=4 536 B14R1.2288 C=C(C)c1cc(c(cc1OC)O)OC 271570a_100000694244_100009816818 [0,0,0,0,1,1|2,0,0]=4 537 B14R1.2288 COc1cc(c(cc1O)OC)B(O)O 271570a_203496583355_100010185586 [0,0,0,0,1,1|1,0,1]=4 538 B14R1.2288 COc1cc(c(cc1O)OC)C(=O)C 271570a_203496583355_100012352748 [0,0,0,0,1,1|1,0,0]=3 539 B16R1.423 COc1cc(cc(c1Cl)OC)NCC(=O)N 34a_100009986809_100000187820 [0,0,0,0,0,2|2,0,0]=4 540 B16R1.423 COc1cc(cc(c1Cl)OC)NCC(=O)[O-] 34a_100009986809_100020667443 [0,0,0,0,0,2|1,0,1]=4 541 B16R1.423 COc1cc(cc(c1F)OC)SCC(=O)N 62a_100000747473_100015304952 [0,0,0,0,0,2|2,0,0]=4 542 B16R1.423 COc1cc(cc(c1F)OC)SCC(=O)N 62a_100015304952_100000747473 [0,0,0,0,0,2|2,0,0]=4 543 B16R1.423 COc1cc(cc(c1F)OC)SCC(=O)[O-] 62a_100015304952_100020667443 [0,0,0,0,0,2|1,0,1]=4 544 B16R1.423 COc1cc(cc(c1F)OC)SCC(=O)[O-] 62a_100020667443_100015304952 [0,0,0,0,0,2|1,0,1]=4 545 B16R1.423 COc1cc(cc(c1O)OC)C=CC(=O)C 1458a_100000764192_200000210301 [0,0,0,0,0,2|1,0,0]=3 546 B16R1.423 COc1cc(cc(c1O)OC)C=CC(=O)[13CH3] 1458a_100000764192_200025704644 [0,0,0,0,0,2|1,0,0]=3 547 B16R1.423 COc1cc(cc(c1O)OC)C=CC(C)O 271570a_200011019289_100000691893 [0,0,0,0,0,2|1,0,1]=4 548 B16R1.423 COc1cc(cc(c1O)OC)CCC(=O)C 1458a_100000024749_200000210301 [0,0,0,0,0,2|1,0,0]=3 549 B16R1.423 COc1cc(cc(c1O)OC)CCC(=O)[13CH3] 1458a_100000024749_200025704644 [0,0,0,0,0,2|1,0,0]=3