0 B16R2.203249 COc1cc(Br)c2c(c1)nc([nH]c2=O)C 1P01BI01 [0,0,0,0,0,0|3,0,1]=4 1 B16R2.203249 COc1cc(O)c2c(c1)oc(cc2=O)C 1P0035E4 [0,0,0,0,0,0|2,0,1]=3 2 B16R2.203249 COc1cc2C[C@@H](C)OC(=O)c2c(c1)O 1P0071EJ [0,0,0,0,0,0|0,0,0]=0 3 B15R2.65793 Oc1cc(O)c2c(c1)oc(cc2=O)C 1P0004NJ [1,0,0,0,0,0|2,0,1]=4 4 B15R2.83901 COc1cc(O)c2c(c1)cc[nH]c2=O 1P028S43 [1,0,0,0,0,0|1,0,2]=4 5 B15R2.83901 COc1cc2CCCC(=O)c2c(c1)Br 1P01XA86 [1,0,0,0,0,0|2,0,0]=3 6 B15R2.83901 COc1cc2CCCC(=O)c2c(c1)F 1P01DUM1 [1,0,0,0,0,0|2,0,0]=3 7 B15R2.83901 COc1cc2OCCC(=O)c2c(c1)Br 1P01JV76 [1,0,0,0,0,0|3,0,0]=4 8 B15R2.89396 COc1ccc2c(c1)CC(CC2N)C 1P01EK6K [1,0,0,0,0,0|2,0,1]=4 9 B15R2.89396 COc1ccc2c(c1)CC(N=C2C)C 1P01A605 [1,0,0,0,0,0|2,0,0]=3 10 B15R2.89396 COc1ccc2c(c1)CC(NC2C)C 1P01A68K [1,0,0,0,0,0|2,0,1]=4 11 B15R2.89396 COc1ccc2c(c1)[nH]c(=O)oc2=O 1P000Y7K [1,0,0,0,0,0|2,0,1]=4 12 B17R2.401280 COc1cc(OC)c2c(c1)[nH]c(=O)oc2=O 1P0223O9 [0,1,0,0,0,0|2,0,1]=4 13 B17R2.1225416 COc1cc2OC(C)(C)CC(=O)c2c(c1)O 1P00HA4K [0,1,0,0,0,0|2,0,0]=3 14 B15R1.36564 CCOC(=O)c1c(F)cc(cc1F)OC 1P000RW1 [0,0,1,0,0,0|2,0,0]=3 15 B14R1.3723 COc1ccc(c(c1)CC(O)C)OC 1P0075H6 [1,0,1,0,0,0|2,0,0]=4 16 B14R1.3723 COc1ccc(c(c1)OC(C)C)C=O 1P008TUK [1,0,1,0,0,0|2,0,0]=4 17 B14R1.2 CCc1ccc(cc1)C(=O)CC(C)C 1P01BA8O [1,0,1,0,0,0|2,0,0]=4 18 B14R1.2 COc1ccc(cc1)C(=O)CC(C)C 1P008L0V [1,0,1,0,0,0|1,0,0]=3 19 B14R1.2 ClCc1ccc(cc1)C(=O)OC(C)C 1P01A1YB [1,0,1,0,0,0|2,0,0]=4 20 B14R1.7234 CCOC(=O)c1ccc(cc1C)NN 1P01ALJ0 [1,0,1,0,0,0|2,0,0]=4 21 B14R1.7234 CCOC(=O)c1ccc(cc1C)OC 1P00EIWW [1,0,1,0,0,0|0,0,0]=2 22 B14R1.7234 CCOC(=O)c1ccc(cc1F)OC 1P00G9TB [1,0,1,0,0,0|1,0,0]=3 23 B14R1.7234 CCOC(=O)c1ccc(cc1O)C#N 1P024I6E [1,0,1,0,0,0|2,0,0]=4 24 B14R1.7234 CCOC(=O)c1ccc(nc1C)CC 1P028MTX [1,0,1,0,0,0|2,0,0]=4 25 B14R1.7234 CCOC(=O)c1cnc(nc1C)OC 1P002C81 [1,0,1,0,0,0|2,0,0]=4 26 B14R1.577 COc1cc(OC)cc(c1C(=O)C)O 1P003HUZ [1,0,1,0,0,0|2,0,0]=4 27 B14R1.577 COc1cc(OC)cc(c1C(=O)O)F 1P028MD3 [1,0,1,0,0,0|2,0,0]=4 28 B14R1.577 COc1cc(OC)cc(c1C(=O)O)N 1P0036MK [1,0,1,0,0,0|2,0,0]=4 29 B14R1.577 CSc1cc(OC)cc(c1C(=O)C)O 1P028H1T [1,0,1,0,0,0|2,0,0]=4 30 B14R1.5320 CCCc1cc(O)cc(c1C(=O)O)O 1P00DUSC [1,0,1,0,0,0|0,0,0]=2 31 B14R1.579 COc1cc(F)c(c(c1)F)C(=O)OC 1P00IDY3 [1,0,1,0,0,0|2,0,0]=4 32 B14R1.579 COc1cc(N)c(c(c1)Br)C(=O)OC 1P0286FB [1,0,1,0,0,0|2,0,0]=4 33 B14R1.18811 CCOC(=O)c1c(C)cc(cc1C)C 1P0021FC [1,0,1,0,0,0|1,0,0]=3 34 B14R1.18811 CCOC(=O)c1c(C)cc(cc1O)O 1P003QIZ [1,0,1,0,0,0|0,0,0]=2 35 B14R1.18811 CCOC(=O)c1c(O)cc([nH]c1=O)C 1P007GY0 [1,0,1,0,0,0|2,0,0]=4 36 B14R1.18811 CCOC(=O)c1c(O)cc(nc1Cl)O 1P003QKC [1,0,1,0,0,0|2,0,0]=4 37 B14R1.18811 CCOC(=O)c1c(O)cc(nc1O)C 1P005X5P [1,0,1,0,0,0|2,0,0]=4 38 B14R2.134 COc1ccc2c(c1)CC(CN2)C 1P01DZKT [2,0,0,0,0,0|2,0,0]=4 39 B14R2.134 COc1ccc2c(c1)CC(NC2)C 1P0287KT [2,0,0,0,0,0|1,0,1]=4 40 B14R2.29365 CC1Cc2cc(Br)ccc2C(=O)N1 1P0016V4 [2,0,0,0,0,0|2,0,0]=4 41 B14R2.29365 CC1Cc2cc(Br)ccc2C(=O)O1 1P028189 [2,0,0,0,0,0|1,0,0]=3 42 B14R2.28480 CC1Cc2cccc(c2C(=O)O1)O 1P001ZST [2,0,0,0,0,0|0,0,0]=2 43 B14R2.28480 C[C@@H]1Cc2cccc(c2C(=O)O1)O 1P006YLD [2,0,0,0,0,0|0,0,0]=2 44 B14R2.28480 Fc1cc2CCOC(=O)c2c(c1)F 1P028BWK [2,0,0,0,0,0|2,0,0]=4 45 B14R2.28480 Oc1cc2CCCC(=O)c2c(c1)Br 1P01XGH8 [2,0,0,0,0,0|2,0,0]=4 46 B14R2.1801 COc1ccc2c(c1)CCCC2=O 1P003NQ0 [2,0,0,0,0,0|1,0,0]=3 47 B14R2.1801 COc1ccc2c(c1)CCNC2=O 1P00I4UC [2,0,0,0,0,0|1,0,0]=3 48 B14R2.1801 COc1ccc2c(c1)COCC2=O 1P00DA14 [2,0,0,0,0,0|2,0,0]=4 49 B14R2.1801 COc1ccc2c(c1)NCCC2=O 1P008CCY [2,0,0,0,0,0|2,0,0]=4 50 B14R2.1801 COc1ccc2c(c1)OCCC2=O 1P00I8NY [2,0,0,0,0,0|2,0,0]=4 51 B14R2.1801 COc1ccc2c(n1)CCNC2=O 1P000K3N [2,0,0,0,0,0|2,0,0]=4 52 B14R2.1801 CSc1ccc2c(c1)CCCC2=O 1P01A8PX [2,0,0,0,0,0|1,1,0]=4 53 B16R1.20224 COc1ccc(c(c1)N)C(=O)OC(C)(C)C 1P0290Q6 [0,1,1,0,0,0|1,0,0]=3 54 B16R1.70799 CCOC(=O)c1c(N)cc(cc1OC)OC 1P000J5P [0,1,1,0,0,0|1,0,0]=3 55 B16R2.392063 Oc1cc2OC(C)(C)CC(=O)c2c(c1)O 1P0048MY [1,1,0,0,0,0|2,0,0]=4 56 B16R2.392063 Oc1cc2OC(C)(C)OC(=O)c2c(c1)O 1P00140Z [1,1,0,0,0,0|1,0,0]=3 57 B16R2.1944 COc1cc(OC)c2c(c1)OCCC2=O 1P00DBSB [1,1,0,0,0,0|2,0,0]=4 58 B16R2.197100 COc1ccc2c(c1)CC(NC2=O)(C)C 1P01KLGL [1,1,0,0,0,0|1,0,0]=3 59 B16R2.197100 COc1ccc2c(c1)OC(CC2=O)(C)C 1P002976 [1,1,0,0,0,0|2,0,0]=4 60 B16R2.299624 COc1cc(OC)c2c(c1)C(N)CC2=O 1P0287DC [0,1,0,0,1,0|2,0,0]=4 61 B14R1.102 COc1ccc(c(c1)Br)C(=O)C(C)C 1P01BCST [0,0,1,0,1,0|1,0,0]=3 62 B14R1.102 COc1ccc(c(c1)F)C(=O)C(C)C 1P01C45A [0,0,1,0,1,0|1,0,0]=3 63 B14R1.18805 CCOC(=O)c1c(N)sc(c1C)OC 1P01EJSM [0,0,1,0,1,0|2,0,0]=4 64 B14R2.36882 COc1cc(Br)c2c(c1)CCC2=O 1P00020R [1,0,0,0,1,0|1,0,0]=3 65 B14R2.36882 COc1cc(F)c2c(c1)CCC2=O 1P000QEI [1,0,0,0,1,0|1,0,0]=3 66 B14R2.36882 COc1cc(O)c2c(c1)CCC2=O 1P00GA7G [1,0,0,0,1,0|0,0,0]=2 67 B14R2.36882 COc1cc(O)c2c(c1)COC2=O 1P002QF9 [1,0,0,0,1,0|0,0,0]=2 68 B14R2.1812 COc1ccc2c(c1)C(=O)OC2=O 1P007LGU [1,0,0,0,1,0|1,0,1]=4 69 B14R2.1812 COc1ccc2c(c1)C(N)CC2=O 1P01FGY2 [1,0,0,0,1,0|2,0,0]=4 70 B16R2.197059 COc1ccc2c(c1)CC(C)CNC2=O 1P028MXG [1,0,0,0,0,1|1,0,0]=3