0 B22R3.98287844 Cc1cc(C)c2c(c1)OC(c3ccc(N)cc3)=CC2=O Amb18034355 [0,0,0,0,0,0|3,0,0]=3 1 B22R3.98287844 O=C1C=C(c2ccc(Cl)cc2)Oc3cc(O)cc(O)c31 Amb20241798 [0,0,0,0,0,0|1,0,0]=1 2 B22R3.98287844 O=C1C=C(c2ccc(O)cc2)Oc3cc(O)cc(O)c31 Amb18511397 [0,0,0,0,0,0|0,0,0]=0 3 B22R3.98287844 O=C1CC(c2ccc(O)cc2)Oc3cc(O)cc(O)c31 Amb2780753 [0,0,0,0,0,0|0,0,2]=2 4 B22R3.98287844 O=C1C[C@@H](c2ccc(O)cc2)Oc3cc(O)cc(O)c31 Amb538290 [0,0,0,0,0,0|0,0,2]=2 5 B22R3.98287844 Oc1ccc(C2=CC(O)c3c(O)cc(O)cc3O2)cc1 Amb22584583 [0,0,0,0,0,0|0,0,2]=2 6 B21R3.649532 Cc1ccc2c(c1)OC(c3ccc(Cl)cc3)=CC2=O Amb19520565 [1,0,0,0,0,0|2,0,0]=3 7 B21R3.649532 Cc1ccc2c(c1)OC(c3ccc(F)cc3)=CC2=O Amb19520508 [1,0,0,0,0,0|2,0,0]=3 8 B21R3.649532 Nc1ccc(C2=CC(=O)c3ccc(Cl)cc3O2)cc1 Amb18537227 [1,0,0,0,0,0|2,0,0]=3 9 B21R3.649532 Nc1ccc(C2=CC(=O)c3ccc(N)cc3O2)cc1 Amb24079276 [1,0,0,0,0,0|2,0,0]=3 10 B21R3.649532 O=C1C=C(c2ccc(Cl)cc2)Oc3cc(O)ccc31 Amb19952368 [1,0,0,0,0,0|1,0,0]=2 11 B21R3.649532 O=C1CC(c2ccc(O)cc2)Oc3cc(O)ccc31 Amb4477658 [1,0,0,0,0,0|0,0,2]=3 12 B21R3.41307345 O=C1C=C(c2ccccc2)Oc3cc(O)cc(O)c31 Amb18511580 [1,0,0,0,0,0|0,0,0]=1 13 B21R3.41307345 O=C1CC(c2ccccc2)Oc3cc(O)cc(O)c31 Amb4005381 [1,0,0,0,0,0|0,0,2]=3 14 B21R3.50471385 Nc1cccc2c1C(=O)C=C(c3ccc(O)cc3)O2 Amb24079264 [1,0,0,0,0,0|1,0,0]=2 15 B21R3.50471385 O=C1C=C(c2ccc(O)cc2)Oc3cccc(O)c31 Amb20665355 [1,0,0,0,0,0|0,0,0]=1 16 B21R3.50471385 O=C1OC(c2ccc(O)cc2)Cc3cccc(O)c31 Amb4450404 [1,0,0,0,0,0|2,0,1]=4 17 B23R3.9068341 COc1ccc(C2=CC(=O)c3c(O)cc(O)cc3O2)cc1 Amb18511409 [0,1,0,0,0,0|0,0,0]=1 18 B23R3.71745916 O=C1C(O)=C(c2ccc(O)cc2)Oc3cc(O)cc(O)c31 Amb18511400 [0,1,0,0,0,0|0,0,0]=1 19 B23R3.71745916 O=C1C(O)=C(c2ccc(O)cc2)Oc3cc(O)cc(O)c31 Amb32652524 [0,1,0,0,0,0|0,0,0]=1 20 B23R3.71745916 O=C1c2c(O)cc(O)cc2O[C@H](c3ccc(O)cc3)[C@H]1O Amb16192992 [0,1,0,0,0,0|0,0,2]=3 21 B23R3.71772102 O=C1C=C(c2ccc(O)cc2)Oc3cc(O)c(O)c(O)c31 Amb18511696 [0,1,0,0,0,0|0,0,0]=1 22 B23R3.184688319 Cc1cc(C)c2c(c1)OC(c3ccc(C)c(N)c3)=CC2=O Amb18034283 [0,1,0,0,0,0|3,0,0]=4 23 B23R3.184688319 Cc1cc(C)c2c(c1)OC(c3ccc(Cl)c(N)c3)=CC2=O Amb18034291 [0,1,0,0,0,0|3,0,0]=4 24 B23R3.184688319 O=C1C=C(c2ccc(O)c(O)c2)Oc3cc(O)cc(O)c31 Amb18511398 [0,1,0,0,0,0|0,0,0]=1 25 B23R3.184688319 O=C1C=C(c2ccc(O)c(O)c2)Oc3cc(O)cc(O)c31 Amb21929356 [0,1,0,0,0,0|0,0,0]=1 26 B23R3.184688319 O=C1CC(c2ccc(O)c(O)c2)Oc3cc(O)cc(O)c31 Amb6354717 [0,1,0,0,0,0|0,0,2]=3 27 B23R3.199765921 COc1cc(O)c2c(c1)OC(c3ccc(O)cc3)CC2=O Amb6356986 [0,1,0,0,0,0|0,0,2]=3 28 B21R2.362231 CC1=CC(O)=C(C(=O)\C=C\c2ccc(O)cc2)C(=O)O1 Amb18548656 [0,0,1,0,0,0|2,0,1]=4 29 B21R2.362231 O=C(CCc1ccc(O)cc1)c2c(O)cc(O)cc2O Amb546370 [0,0,1,0,0,0|0,0,2]=3 30 B20R2.15570 O=C(\C=C\c1ccc(O)cc1)c2ccc(O)cc2O Amb4477660 [1,0,1,0,0,0|0,0,0]=2 31 B20R2.68280 O=C(\C=C\c1ccc(O)cc1O)c2ccc(O)cc2 Amb33624921 [1,0,1,0,0,0|0,0,1]=3 32 B20R2.23087 O=C(CCc1ccccc1)c2c(O)cc(O)cc2O Amb6296745 [1,0,1,0,0,0|0,0,2]=4 33 B20R3.19283 Cc1ccc(C2=CC(=O)c3ccccc3O2)cc1 Amb18473698 [2,0,0,0,0,0|1,0,0]=3 34 B20R3.19283 O=C1C=C(c2ccc(Br)cc2)Nc3ccccc31 Amb20247407 [2,0,0,0,0,0|2,0,0]=4 35 B20R3.19283 O=C1C=C(c2ccc(O)cc2)Oc3ccccc31 Amb18663175 [2,0,0,0,0,0|0,0,0]=2 36 B20R3.19283 O=C1C=C(c2ccc(O)cc2)Oc3ncccc31 Amb20241449 [2,0,0,0,0,0|1,0,0]=3 37 B20R3.19283 O=C1CC(c2ccc(O)cc2)Oc3ccccc31 Amb6356603 [2,0,0,0,0,0|0,0,2]=4 38 B20R3.19283 O=c1cc(-c2ccc(O)cn2)oc3ccccc13 Amb24065038 [2,0,0,0,0,0|1,0,0]=3 39 B20R3.277426 O=C1C=C(c2ccccc2)Oc3cc(Cl)ccc31 Amb22645360 [2,0,0,0,0,0|1,0,0]=3 40 B20R3.277426 O=C1C=C(c2ccccc2)Oc3cc(O)ccc31 Amb18511602 [2,0,0,0,0,0|0,0,0]=2 41 B20R3.277426 O=C1CC(c2ccccc2)Oc3cc(O)ccc31 Amb2719634 [2,0,0,0,0,0|0,0,2]=4 42 B20R3.277426 O=C1OC(c2ccccc2)=Nc3cc(O)ccc31 Amb18663381 [2,0,0,0,0,0|2,0,0]=4 43 B20R3.247868 O=C1C=C(c2ccccc2)Oc3cccc(O)c31 Amb18511587 [2,0,0,0,0,0|0,0,0]=2 44 B22R3.294781 COc1ccc(C2=CC(=O)c3ccc(N)cc3O2)cc1 Amb19831734 [1,1,0,0,0,0|1,0,0]=3 45 B22R3.294781 COc1ccc(C2=CC(=O)c3ccc(O)cc3O2)cc1 Amb18511622 [1,1,0,0,0,0|0,0,0]=2 46 B22R3.11067224 Cc1ccc(C2=CC(=O)c3ccc(Cl)cc3O2)cc1N Amb18537238 [1,1,0,0,0,0|2,0,0]=4 47 B22R3.11067224 Cc1ccc2c(c1)OC(c3ccc(F)c(N)c3)=CC2=O Amb18034382 [1,1,0,0,0,0|2,0,0]=4 48 B22R3.11067224 O=C1CC(c2ccc(O)c(O)c2)Oc3cc(O)ccc31 Amb8398916 [1,1,0,0,0,0|0,0,2]=4 49 B22R3.15233977 Cc1cc2c(cc1Cl)C(=O)C=C(c3ccc(N)cc3)O2 Amb18034293 [1,1,0,0,0,0|2,0,0]=4 50 B22R3.18107773 COc1ccc2c(c1)OC(c3ccc(C)cc3)=CC2=O Amb19806252 [1,1,0,0,0,0|1,0,0]=3 51 B22R3.303788 COc1ccc(C2C=Cc3c(O)cc(O)cc3O2)cc1 Amb24064935 [1,1,0,0,0,0|0,0,1]=3 52 B22R3.15280887 Oc1cc(O)c2ccc(-c3ccc(O)c(O)c3)[o+]c2c1 Amb6296670 [1,1,0,0,0,0|0,0,1]=3 53 B22R3.41030782 Oc1ccc(-c2[o+]c3cc(O)cc(O)c3cc2O)cc1 Amb16192917 [1,1,0,0,0,0|0,0,1]=3 54 B22R3.2846088 O=C1C=C(c2ccccc2)Oc3cc(O)c(O)c(O)c31 Amb18511633 [1,1,0,0,0,0|0,0,0]=2 55 B22R3.18332665 COc1cc(O)cc2c1C(=O)C=C(c3ccccc3)O2 Amb19935636 [1,1,0,0,0,0|0,0,0]=2 56 B22R3.18332665 COc1cc(O)cc2c1C(=O)CC(c3ccccc3)O2 Amb2613850 [1,1,0,0,0,0|0,0,2]=4 57 B22R3.43403522 O=C1C=C(c2ccccc2O)Oc3cc(O)cc(O)c31 Amb21928547 [1,1,0,0,0,0|0,0,0]=2 58 B22R3.53618968 O=C1C(O)=C(c2ccccc2)Cc3cc(O)cc(O)c31 Amb17597321 [1,1,0,0,0,0|1,0,0]=3 59 B22R3.53618968 O=C1C(O)=C(c2ccccc2)Oc3cc(O)cc(O)c31 Amb18511617 [1,1,0,0,0,0|0,0,0]=2 60 B22R3.78129056 Nc1c(O)cc(O)c2c1OC(c3ccccc3)=CC2=O Amb24079280 [1,1,0,0,0,0|0,0,0]=2 61 B22R3.121441578 COc1cc(O)c2c(c1)OC(c3ccccc3)=CC2=O Amb18011138 [1,1,0,0,0,0|0,0,0]=2 62 B22R3.98287842 Nc1ccc(C2=CC(=O)c3c(ccc(N)c3O)O2)cc1 Amb24079270 [1,1,0,0,0,0|1,0,0]=3 63 B24R3.13139879 COc1ccc(C2=C(O)C(=O)c3c(O)cc(O)cc3O2)cc1 Amb18511404 [0,2,0,0,0,0|0,0,0]=2 64 B24R3.1245441990 COc1ccc(C2=CC(=O)c3c(O)cc(O)cc3O2)cc1O Amb18511414 [0,2,0,0,0,0|0,0,0]=2 65 B24R3.1245441990 COc1ccc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1O Amb2714814 [0,2,0,0,0,0|0,0,2]=4 66 B24R3.43764526 COc1cc(OC)c2c(=O)cc(-c3ccc(O)cc3)oc2c1 Amb24100673 [0,2,0,0,0,0|0,0,0]=2 67 B24R3.43764526 COc1cc(OC)c2c(c1)OC(c3ccc(N)cc3)=CC2=O Amb18537209 [0,2,0,0,0,0|1,0,0]=3 68 B24R3.43764526 COc1cc(OC)c2c(c1)OC(c3ccc(O)cc3)CC2=O Amb6356992 [0,2,0,0,0,0|0,0,2]=4 69 B24R3.115469742 O=C1C(O)=C(c2ccc(O)cc2)Oc3c(O)c(O)cc(O)c31 Amb18511703 [0,2,0,0,0,0|0,0,0]=2 70 B24R3.311572219 O=C1C(O)=C(c2ccc(O)c(O)c2)Oc3cc(O)cc(O)c31 Amb18371663 [0,2,0,0,0,0|0,0,0]=2 71 B24R3.311572219 O=C1C(O)=C(c2ccc(O)c(O)c2)Oc3cc(O)cc(O)c31 Amb18511406 [0,2,0,0,0,0|0,0,0]=2 72 B24R3.311572219 O=C1C(O)=C(c2ccc(O)c(O)c2)Oc3cc(O)cc(O)c31 Amb19668884 [0,2,0,0,0,0|0,0,0]=2 73 B24R3.311572219 O=C1c2c(O)cc(O)cc2OC(c3ccc(O)c(O)c3)C1O Amb1056090 [0,2,0,0,0,0|0,0,2]=4 74 B24R3.311572219 O=C1c2c(O)cc(O)cc2OC(c3ccc(O)c(O)c3)[C@H]1O Amb16200032 [0,2,0,0,0,0|0,0,2]=4 75 B24R3.311572219 O=C1c2c(O)cc(O)cc2O[C@H](c3ccc(O)c(O)c3)[C@H]1O Amb559370 [0,2,0,0,0,0|0,0,2]=4 76 B24R3.337787570 COc1cc(O)c2c(c1)OC(c3ccc(O)cc3)=C(O)C2=O Amb19886472 [0,2,0,0,0,0|0,0,0]=2 77 B24R3.558339597 O=C1C(O)=C(c2ccc(O)cc2O)Oc3cc(O)cc(O)c31 Amb18511704 [0,2,0,0,0,0|0,0,0]=2 78 B24R3.558339597 O=C1C(O)=C(c2ccc(O)cc2O)Oc3cc(O)cc(O)c31 Amb22168349 [0,2,0,0,0,0|0,0,0]=2 79 B24R3.558339597 O=C1c2c(O)cc(O)cc2O[C@H](c3ccc(O)cc3O)[C@H]1O Amb22748561 [0,2,0,0,0,0|0,0,2]=4 80 B24R3.8721024 COc1c(O)cc2c(c1O)C(=O)C=C(c3ccc(O)cc3)O2 Amb19742232 [0,2,0,0,0,0|0,0,0]=2 81 B24R3.9104595 COc1c(O)cc(O)c2c1OC(c3ccc(O)cc3)=CC2=O Amb22172660 [0,2,0,0,0,0|0,0,0]=2 82 B24R3.337791963 COc1cc(O)c2c(c1)OC(c3ccc(O)c(O)c3)=CC2=O Amb19959169 [0,2,0,0,0,0|0,0,0]=2 83 B24R3.337791963 COc1cc(O)c2c(c1)OC(c3ccc(O)c(O)c3)CC2=O Amb4270210 [0,2,0,0,0,0|0,0,2]=4 84 B24R3.1289013967 COc1cc(C2CC(=O)c3c(O)cc(O)cc3O2)ccc1O Amb6356991 [0,2,0,0,0,0|0,0,2]=4 85 B22R3.15319670 Cc1cc(O)c2c(c1)O\C(=C/c3ccc(Br)cc3)C2=O Amb5789685 [0,0,1,1,0,0|2,0,0]=4 86 B22R3.15319670 Cc1cc(O)c2c(c1)O\C(=C/c3ccc(Cl)cc3)C2=O Amb5789694 [0,0,1,1,0,0|2,0,0]=4 87 B22R3.15319670 Cc1cc(O)c2c(c1)O\C(=C/c3ccc(F)cc3)C2=O Amb5789697 [0,0,1,1,0,0|2,0,0]=4 88 B22R3.15319670 Cc1ccc(\C=C2/Oc3cc(O)cc(C)c3C2=O)cc1 Amb801559 [0,0,1,1,0,0|2,0,0]=4 89 B22R3.5327493 O=C1C(c2ccc(Cl)cc2)=COc3cc(O)cc(O)c31 Amb18010287 [0,0,0,0,1,1|1,0,0]=3 90 B22R3.5327493 O=C1C(c2ccc(O)cc2)=COc3cc(O)cc(O)c31 Amb17933801 [0,0,0,0,1,1|0,0,0]=2 91 B22R3.5327493 O=C1c2c(O)cc(O)cc2OCC1c3ccc(O)cc3 Amb6298030 [0,0,0,0,1,1|0,0,1]=3