0 B22R2.5849837 CC(C)(C)COC(=O)COc1cccc2c1CCCC2=O 34a_100000763485_200010402935 [0,0,0,0,0,0|2,0,2]=4 1 B22R2.5849837 CC(C)(C)COC(=O)COc1cccc2c1CCCC2=O 7a_100000763485_200010402935 [0,0,0,0,0,0|2,0,2]=4 2 B21R2.4389558 CC(=O)OCC(O)COc1cccc2c1CCCC2=O 34a_100000763485_200000139349 [1,0,0,0,0,0|2,0,1]=4 3 B21R2.4389558 CC(=O)OCC(O)COc1cccc2c1CCCC2=O 7a_100000763485_200000139349 [1,0,0,0,0,0|2,0,1]=4 4 B21R2.4401242 C[Si](C)(C)C#CCCOc1cccc2c1CCCC2=O 34a_100000763485_100010401983 [1,0,0,0,0,0|1,1,1]=4 5 B21R2.4401242 C[Si](C)(C)C#CCCOc1cccc2c1CCCC2=O 7a_100000763485_100010401983 [1,0,0,0,0,0|1,1,1]=4 6 B21R2.4401242 C[Si](C)(C)CCOCOc1cccc2c1CCCC2=O 34a_100000763485_100000032501 [1,0,0,0,0,0|2,1,0]=4 7 B23R2.53159371 CC(COc1cccc2c1CCCC2=O)C(=O)OC(C)(C)C 34a_100000763485_100050474178 [0,1,0,0,0,0|2,0,1]=4 8 B23R2.53159371 CC(COc1cccc2c1CCCC2=O)C(=O)OC(C)(C)C 7a_100000763485_100050474178 [0,1,0,0,0,0|2,0,1]=4 9 B21R2.4401253 CC(C)(C)NC(=O)COc1cccc2c1CCCC2=O 34a_100000763485_100000182746 [0,0,0,0,1,0|0,0,2]=3 10 B21R2.4401253 CC(C)(C)NC(=O)COc1cccc2c1CCCC2=O 7a_100000763485_100000182746 [0,0,0,0,1,0|0,0,2]=3 11 B21R2.4401253 CC(C)(C)NC(=O)COc1cccc2c1CCNC2=O 34a_100000079299_100000182746 [0,0,0,0,1,0|1,0,2]=4 12 B21R2.4401253 CC(C)(C)NC(=O)COc1cccc2c1CCNC2=O 7a_100000079299_100000182746 [0,0,0,0,1,0|1,0,2]=4 13 B21R2.4401253 CC(C)(C)NC(=O)COc1cccc2c1OCCC2=O 34a_100009867664_100000182746 [0,0,0,0,1,0|1,0,2]=4 14 B21R2.4401253 CC(C)(C)NC(=O)COc1cccc2c1OCCC2=O 7a_100009867664_100000182746 [0,0,0,0,1,0|1,0,2]=4 15 B21R2.4401253 CC(C)(C)NC(=O)CSc1cccc2c1CCCC2=O 62a_100000182746_100000691372 [0,0,0,0,1,0|0,1,2]=4 16 B21R2.4401253 CC(C)(C)NC(=O)CSc1cccc2c1CCCC2=O 62a_100000691372_100000182746 [0,0,0,0,1,0|0,1,2]=4 17 B21R2.4401253 CC(C)(C)OC(=O)COc1cccc2c1CCCC2=O 34a_100000763485_100000183872 [0,0,0,0,1,0|1,0,2]=4 18 B21R2.4401253 CC(C)(C)OC(=O)COc1cccc2c1CCCC2=O 7a_100000763485_100000183872 [0,0,0,0,1,0|1,0,2]=4 19 B21R2.4401253 C[N+](C)(C)CC(O)COc1cccc2c1CCCC2=O 34a_100000763485_100000032816 [0,0,0,0,1,0|1,0,0]=2 20 B21R2.4401253 C[N+](C)(C)CC(O)COc1cccc2c1CCCC2=O 7a_100000763485_100000032816 [0,0,0,0,1,0|1,0,0]=2 21 B21R2.4401253 C[N+](C)(C)CC(O)COc1cccc2c1CCCC2O 7a_100000212338_100000032816 [0,0,0,0,1,0|1,0,2]=4 22 B21R2.4401253 C[N+](C)(C)CC(O)COc1cccc2c1CCNC2=O 34a_100000079299_100000032816 [0,0,0,0,1,0|2,0,0]=3 23 B21R2.4401253 C[N+](C)(C)CC(O)COc1cccc2c1CCNC2=O 7a_100000079299_100000032816 [0,0,0,0,1,0|2,0,0]=3 24 B21R2.4401253 C[N+](C)(C)CC(O)COc1cccc2c1OCCC2=O 34a_100009867664_100000032816 [0,0,0,0,1,0|2,0,0]=3 25 B21R2.4401253 C[N+](C)(C)CC(O)COc1cccc2c1OCCC2=O 7a_100009867664_100000032816 [0,0,0,0,1,0|2,0,0]=3 26 B21R2.4401253 C[N+](C)(C)CC(O)CSc1cccc2c1CCCC2=O 62a_100000032816_100000691372 [0,0,0,0,1,0|1,1,0]=3 27 B21R2.4401253 C[N+](C)(C)CC(O)CSc1cccc2c1CCCC2=O 62a_100000691372_100000032816 [0,0,0,0,1,0|1,1,0]=3 28 B21R2.4401253 C[N+](C)(C)CC(O)CSc1cccc2c1CCNC2=O 62a_100000032816_100000695023 [0,0,0,0,1,0|2,1,0]=4 29 B21R2.4401253 C[N+](C)(C)CC(O)CSc1cccc2c1CCNC2=O 62a_100000695023_100000032816 [0,0,0,0,1,0|2,1,0]=4 30 B21R2.4401253 C[N+](C)(C)CC(O)CSc1cccc2c1NCCC2=O 62a_100000032816_115082355814 [0,0,0,0,1,0|2,1,0]=4 31 B21R2.4401253 C[N+](C)(C)CC(O)CSc1cccc2c1NCCC2=O 62a_115082355814_100000032816 [0,0,0,0,1,0|2,1,0]=4 32 B21R2.4401253 C[N+](C)(C)CC(O)CSc1cccc2c1OCCC2=O 62a_100000032816_100000744318 [0,0,0,0,1,0|2,1,0]=4 33 B21R2.4401253 C[N+](C)(C)CC(O)CSc1cccc2c1OCCC2=O 62a_100000744318_100000032816 [0,0,0,0,1,0|2,1,0]=4 34 B21R2.4401253 C[N+](C)(C)CC(O)CSc1cccc2c1SCCC2=O 62a_100000032816_100011271337 [0,0,0,0,1,0|2,1,0]=4 35 B21R2.4401253 C[N+](C)(C)CC(O)CSc1cccc2c1SCCC2=O 62a_100011271337_100000032816 [0,0,0,0,1,0|2,1,0]=4 36 B21R2.4401253 C[N+](C)(C)CC(O)CSc1cncc2c1CCCC2=O 62a_100000032816_100010870523 [0,0,0,0,1,0|2,1,0]=4 37 B21R2.4401253 C[N+](C)(C)CC(O)CSc1cncc2c1CCCC2=O 62a_100010870523_100000032816 [0,0,0,0,1,0|2,1,0]=4 38 B22R2.5849835 CC(C)(C)NC(=O)CCOc1cccc2c1CCCC2=O 7a_100000763485_100011194433 [1,1,0,0,0,0|0,0,1]=3 39 B22R2.5849835 CC(C)(C)NC(=O)CCOc1cccc2c1CCNC2=O 7a_100000079299_100011194433 [1,1,0,0,0,0|1,0,1]=4 40 B22R2.5849835 CC(C)(C)NC(=O)CCOc1cccc2c1OCCC2=O 7a_100009867664_100011194433 [1,1,0,0,0,0|1,0,1]=4 41 B22R2.5849835 CC(C)(C)NC(=O)CCSc1cccc2c1CCCC2=O 62a_100000691372_100011194433 [1,1,0,0,0,0|0,1,1]=4 42 B22R2.5849835 CC(C)(C)NC(=O)CCSc1cccc2c1CCCC2=O 62a_100011194433_100000691372 [1,1,0,0,0,0|0,1,1]=4 43 B22R2.5849835 CC(C)(C)OC(=O)CCOc1cccc2c1CCCC2=O 34a_100000763485_100009816755 [1,1,0,0,0,0|1,0,1]=4 44 B22R2.5849835 CC(C)(C)OC(=O)CCOc1cccc2c1CCCC2=O 7a_100000763485_100009816755 [1,1,0,0,0,0|1,0,1]=4 45 B22R2.5849833 CC(Oc1cccc2c1CCCC2=O)C(=O)NC(C)(C)C 7a_100000763485_100000230285 [0,1,0,0,1,0|1,0,1]=4 46 B22R2.5759659 CCC(C)(C)NC(=O)COc1cccc2c1CCCC2=O 34a_100000763485_100000230344 [0,1,0,0,1,0|0,0,2]=4 47 B22R2.5759659 CCC(C)(C)NC(=O)COc1cccc2c1CCCC2=O 7a_100000763485_100000230344 [0,1,0,0,1,0|0,0,2]=4 48 B22R2.5850044 Cc1ccc2c(c1OCC(=O)NC(C)(C)C)CCCC2=O 34a_100009872817_100000182746 [0,1,0,0,1,0|0,0,2]=4 49 B22R2.5850044 Cc1ccc2c(c1OCC(=O)NC(C)(C)C)CCCC2=O 7a_100009872817_100000182746 [0,1,0,0,1,0|0,0,2]=4 50 B22R2.5850044 Cc1ccc2c(c1OCC(O)C[N+](C)(C)C)CCCC2=O 34a_100009872817_100000032816 [0,1,0,0,1,0|1,0,0]=3 51 B22R2.5850044 Cc1ccc2c(c1OCC(O)C[N+](C)(C)C)CCCC2=O 7a_100009872817_100000032816 [0,1,0,0,1,0|1,0,0]=3 52 B22R2.5850502 C[N+](C)(C)CC(O)CSc1ccc(c2c1CCCC2=O)F 62a_100000032816_100010133564 [0,1,0,0,1,0|1,1,0]=4 53 B22R2.5850502 C[N+](C)(C)CC(O)CSc1ccc(c2c1CCCC2=O)F 62a_100010133564_100000032816 [0,1,0,0,1,0|1,1,0]=4 54 B22R3.10422839 CC1(OCC(O1)CSc2cccc3c2CCCC3=O)C 62a_100000198056_100000691372 [1,0,0,1,0,0|1,1,0]=4 55 B22R3.10422839 CC1(OCC(O1)CSc2cccc3c2CCCC3=O)C 62a_100000691372_100000198056 [1,0,0,1,0,0|1,1,0]=4 56 B22R3.10422839 CC1(OC[C@@H](O1)COc2cccc3c2CCCC3=O)C 7a_100000763485_100015422573 [1,0,0,1,0,0|1,0,0]=3 57 B22R3.10422839 CC1(OC[C@@H](O1)COc2cccc3c2CCNC3=O)C 7a_100000079299_100015422573 [1,0,0,1,0,0|2,0,0]=4 58 B22R3.10422839 CC1(OC[C@@H](O1)COc2cccc3c2OCCC3=O)C 7a_100009867664_100015422573 [1,0,0,1,0,0|2,0,0]=4 59 B22R3.10422839 CC1(OC[C@@H](O1)CSc2cccc3c2CCCC3=O)C 62a_100000691372_100015422573 [1,0,0,1,0,0|1,1,0]=4 60 B22R3.10422839 CC1(OC[C@@H](O1)CSc2cccc3c2CCCC3=O)C 62a_100015422573_100000691372 [1,0,0,1,0,0|1,1,0]=4 61 B22R3.10328303 CC1(CC(CCO1)Oc2cccc3c2CCCC3=O)C 34a_100000763485_100010191092 [1,0,0,1,0,0|1,0,0]=3 62 B22R3.10328303 CC1(CC(CCO1)Oc2cccc3c2CCCC3=O)C 7a_100000763485_100010191092 [1,0,0,1,0,0|1,0,0]=3 63 B22R3.10328303 CC1(CC(CCO1)Oc2cccc3c2CCNC3=O)C 34a_100000079299_100010191092 [1,0,0,1,0,0|2,0,0]=4 64 B22R3.10328303 CC1(CC(CCO1)Oc2cccc3c2CCNC3=O)C 7a_100000079299_100010191092 [1,0,0,1,0,0|2,0,0]=4 65 B22R3.10328303 CC1(CC(CCO1)Oc2cccc3c2OCCC3=O)C 34a_100009867664_100010191092 [1,0,0,1,0,0|2,0,0]=4 66 B22R3.10328303 CC1(CC(CCO1)Oc2cccc3c2OCCC3=O)C 7a_100009867664_100010191092 [1,0,0,1,0,0|2,0,0]=4 67 B22R3.10328303 CC1(CC(CCO1)Sc2cccc3c2CCCC3=O)C 62a_100000691372_100010191092 [1,0,0,1,0,0|1,1,0]=4 68 B22R3.10328303 CC1(CC(CCO1)Sc2cccc3c2CCCC3=O)C 62a_100010191092_100000691372 [1,0,0,1,0,0|1,1,0]=4 69 B20R1.49085 CCNC(=O)c1cccc(c1)OCC(O)C[N+](C)(C)C 7a_100000160095_100000032816 [0,0,1,0,1,0|2,0,0]=4 70 B20R1.49085 CCOC(=O)c1cccc(c1)OCC(O)C[N+](C)(C)C 7a_100000169910_100000032816 [0,0,1,0,1,0|2,0,0]=4 71 B20R1.56519 COC(=O)c1cccc(c1C)OCC(O)C[N+](C)(C)C 34a_100011999632_100000032816 [0,0,1,0,1,0|2,0,0]=4 72 B20R1.56519 COC(=O)c1cccc(c1C)OCC(O)C[N+](C)(C)C 7a_100011999632_100000032816 [0,0,1,0,1,0|2,0,0]=4 73 B22R2.5849808 CC(C)(O)CCCCCOc1cccc2c1CCCC2=O 34a_100000763485_100010402123 [1,0,0,0,0,1|2,0,0]=4 74 B22R2.5849808 CC(C)(O)CCCCCOc1cccc2c1CCCC2=O 7a_100000763485_100010402123 [1,0,0,0,0,1|2,0,0]=4 75 B22R2.5849808 C[N+](C)(C)CCCCCOc1cccc2c1CCCC2=O 34a_100000763485_100009813293 [1,0,0,0,0,1|2,0,0]=4 76 B22R2.5849808 C[N+](C)(C)CCCCCOc1cccc2c1CCCC2=O 7a_100000763485_100009813293 [1,0,0,0,0,1|2,0,0]=4 77 B22R2.5849808 C[Si](C)(C)C#CCCCOc1cccc2c1CCCC2=O 34a_100000763485_200000066390 [1,0,0,0,0,1|1,1,0]=4 78 B22R2.5849808 C[Si](C)(C)C#CCCCOc1cccc2c1CCCC2=O 7a_100000763485_200000066390 [1,0,0,0,0,1|1,1,0]=4 79 B22R2.5852934 C[N+](C)(C)CC(O)CSc1cccc2c1CCCC(=O)N2 62a_100000032816_200000700058 [0,0,0,0,1,1|1,1,0]=4 80 B22R2.5852934 C[N+](C)(C)CC(O)CSc1cccc2c1CCCC(=O)N2 62a_200000700058_100000032816 [0,0,0,0,1,1|1,1,0]=4