0 B22R3.98287844 O=c1c2c(oc(c1)c3ccc(cc3)O)cc(cc2O)O KZNIFHPLKGYRTM-UHFFFAOYSA-N [0,0,0,0,0,0|0,0,0]=0 1 B22R3.98287844 c1c(cc(c2c1O[C@@H](CC2=O)c3ccc(cc3)O)O)O FTVWIRXFELQLPI-ZDUSSCGKSA-N [0,0,0,0,0,0|0,0,2]=2 2 B21R3.41307345 c1(cc2c(c(c1)O)C(=O)C[C@H](O2)c3ccccc3)O URFCJEUYXNAHFI-ZDUSSCGKSA-N [1,0,0,0,0,0|0,0,2]=3 3 B21R3.41307345 c1c(cc(c2c1OC(CC2=O)c3ccccc3)O)O URFCJEUYXNAHFI-UHFFFAOYSA-N [1,0,0,0,0,0|0,0,2]=3 4 B23R3.9068341 O=c1c2c(oc(c1)c3ccc(cc3)OC)cc(cc2O)O DANYIYRPLHHOCZ-UHFFFAOYSA-N [0,1,0,0,0,0|0,0,0]=1 5 B23R3.9068341 c1c(cc(c2c1O[C@@H](CC2=O)c3ccc(cc3)OC)O)O HMUJXQRRKBLVOO-AWEZNQCLSA-N [0,1,0,0,0,0|0,0,2]=3 6 B23R3.71745916 O=c1c2c(oc(c1O)c3ccc(cc3)O)cc(cc2O)O IYRMWMYZSQPJKC-UHFFFAOYSA-N [0,1,0,0,0,0|0,0,0]=1 7 B23R3.71745916 [C@H]1([C@H](Oc2cc(cc(c2C1=O)O)O)c3ccc(cc3)O)O PADQINQHPQKXNL-LSDHHAIUSA-N [0,1,0,0,0,0|0,0,2]=3 8 B23R3.71772102 c1cc(ccc1c2cc(=O)c3c(c(c(cc3o2)O)O)O)O JVXZRQGOGOXCEC-UHFFFAOYSA-N [0,1,0,0,0,0|0,0,0]=1 9 B23R3.184487127 c1cc(ccc1c2cc(=O)c3c(cc(c(c3o2)O)O)O)O NXHQVROAKYDSNW-UHFFFAOYSA-N [0,1,0,0,0,0|0,0,0]=1 10 B23R3.184688319 c1(cc(c2c(c1)O[C@@H](CC2=O)c3cc(c(cc3)O)O)O)O SBHXYTNGIZCORC-ZDUSSCGKSA-N [0,1,0,0,0,0|0,0,2]=3 11 B23R3.184688319 c1(cc(c2c(c1)oc(cc2=O)c3ccc(c(c3)O)O)O)O IQPNAANSBPBGFQ-UHFFFAOYSA-N [0,1,0,0,0,0|0,0,0]=1 12 B23R3.199765921 O=c1c2c(oc(c1)c3ccc(cc3)O)cc(cc2O)OC JPMYFOBNRRGFNO-UHFFFAOYSA-N [0,1,0,0,0,0|0,0,0]=1 13 B23R3.199765921 c1c(cc(c2c1O[C@@H](CC2=O)c3ccc(cc3)O)O)OC DJOJDHGQRNZXQQ-AWEZNQCLSA-N [0,1,0,0,0,0|0,0,2]=3 14 B23R3.199765921 c1c2c(c(cc1OC)O)C(=O)CC(O2)c3ccc(cc3)O DJOJDHGQRNZXQQ-UHFFFAOYSA-N [0,1,0,0,0,0|0,0,2]=3 15 B20R2.15570 c1c(cc(c(c1)C(=O)\C=C\c2ccc(cc2)O)O)O DXDRHHKMWQZJHT-FPYGCLRLSA-N [1,0,1,0,0,0|0,0,0]=2 16 B20R2.68280 c1c(ccc(c1)C(=O)\C=C\c2c(cc(cc2)O)O)O VDYSHUXENHRSOO-XBXARRHUSA-N [1,0,1,0,0,0|0,0,1]=3 17 B20R3.277426 C1[C@H](Oc2c(C1=O)ccc(c2)O)c3ccccc3 SWAJPHCXKPCPQZ-AWEZNQCLSA-N [2,0,0,0,0,0|0,0,2]=4 18 B20R3.247868 c1cc2c(c(c1)O)C(=O)C[C@H](O2)c3ccccc3 CRWQDRUCLPDWEK-AWEZNQCLSA-N [2,0,0,0,0,0|0,0,2]=4 19 B22R3.53618968 c12C(=O)[C@@H]([C@H](Oc1cc(cc2O)O)c3ccccc3)O SUYJZKRQHBQNCA-LSDHHAIUSA-N [1,1,0,0,0,0|0,0,2]=4 20 B22R3.121441578 c1c(cc(c2c1OC(CC2=O)c3ccccc3)O)OC ORJDDOBAOGKRJV-UHFFFAOYSA-N [1,1,0,0,0,0|0,0,2]=4 21 B22R3.121441578 c1c(cc(c2c1O[C@@H](CC2=O)c3ccccc3)O)OC ORJDDOBAOGKRJV-AWEZNQCLSA-N [1,1,0,0,0,0|0,0,2]=4 22 B24R3.13272581 c1(cc2c(c(c1)O)C(=O)C[C@H](O2)c3ccc(cc3)OC)OC CKEXCBVNKRHAMX-HNNXBMFYSA-N [0,2,0,0,0,0|0,0,2]=4 23 B24R3.13272581 c1c(cc(c2c1oc(cc2=O)c3ccc(cc3)OC)O)OC LZERJKGWTQYMBB-UHFFFAOYSA-N [0,2,0,0,0,0|0,0,0]=2 24 B24R3.1245441990 C1[C@H](Oc2cc(cc(c2C1=O)O)O)c3cc(c(cc3)OC)O AIONOLUJZLIMTK-AWEZNQCLSA-N [0,2,0,0,0,0|0,0,2]=4 25 B24R3.1245441990 COc1c(cc(cc1)c2cc(=O)c3c(cc(cc3o2)O)O)O MBNGWHIJMBWFHU-UHFFFAOYSA-N [0,2,0,0,0,0|0,0,0]=2 26 B24R3.1245441990 c1c(cc(c2c1OC(CC2=O)c3ccc(c(c3)O)OC)O)O AIONOLUJZLIMTK-UHFFFAOYSA-N [0,2,0,0,0,0|0,0,2]=4 27 B24R3.43764526 c1c(cc(c2c1O[C@@H](CC2=O)c3ccc(cc3)O)OC)OC REBBZOCNEVVAPX-AWEZNQCLSA-N [0,2,0,0,0,0|0,0,2]=4 28 B24R3.311572219 O=c1c2c(oc(c1O)c3ccc(c(c3)O)O)cc(cc2O)O REFJWTPEDVJJIY-UHFFFAOYSA-N [0,2,0,0,0,0|0,0,0]=2 29 B24R3.311572219 c1c(cc(c2c1O[C@@H]([C@H](C2=O)O)c3cc(c(cc3)O)O)O)O CXQWRCVTCMQVQX-LSDHHAIUSA-N [0,2,0,0,0,0|0,0,2]=4 30 B24R3.558339597 c1c(cc(c2c1oc(c(c2=O)O)c3ccc(cc3O)O)O)O YXOLAZRVSSWPPT-UHFFFAOYSA-N [0,2,0,0,0,0|0,0,0]=2 31 B24R3.8721024 c1(c(c(c2c(c1)oc(cc2=O)c3ccc(cc3)O)O)OC)O IHFBPDAQLQOCBX-UHFFFAOYSA-N [0,2,0,0,0,0|0,0,0]=2 32 B24R3.10522450 c1c(c(c(c2c1oc(cc2=O)c3ccc(cc3)O)O)O)OC UWARRXZVZDFPQU-UHFFFAOYSA-N [0,2,0,0,0,0|0,0,0]=2 33 B24R3.311602189 c1c(c(c(c2c1oc(cc2=O)c3cc(c(cc3)O)O)O)O)O VYAKIUWQLHRZGK-UHFFFAOYSA-N [0,2,0,0,0,0|0,0,0]=2 34 B24R3.337791963 COc1cc(c2c(c1)oc(cc2=O)c3cc(c(cc3)O)O)O RRRSSAVLTCVNIQ-UHFFFAOYSA-N [0,2,0,0,0,0|0,0,0]=2 35 B24R3.337791963 c1c(cc(c2c1OC(CC2=O)c3ccc(c(c3)O)O)O)OC DSAJORLEPQBKDA-UHFFFAOYSA-N [0,2,0,0,0,0|0,0,2]=4 36 B24R3.337791963 c1c(cc(c2c1O[C@@H](CC2=O)c3cc(c(cc3)O)O)O)OC DSAJORLEPQBKDA-AWEZNQCLSA-N [0,2,0,0,0,0|0,0,2]=4 37 B24R3.1289013967 O=c1c2c(oc(c1)c3cc(OC)c(cc3)O)cc(cc2O)O SCZVLDHREVKTSH-UHFFFAOYSA-N [0,2,0,0,0,0|0,0,0]=2 38 B24R3.3360687369 c1(cc(c(cc1c2cc(=O)c3c(cc(cc3o2)O)O)O)O)O DSNIERNBMAVNJI-UHFFFAOYSA-N [0,2,0,0,0,0|0,0,0]=2