0 B18R2.3702 O=C1CC[C@H](O1)C(=O)CC(O)c2ccccc2 1458a_100009814974_100000185958 [1,0,1,0,0,0|0,0,2]=4 1 B18R2.3702 O=C1CC[C@H](O1)C(=O)C[C@@H](O)c2ccccc2 1458a_100009814974_100011933945 [1,0,1,0,0,0|0,0,2]=4 2 B18R2.3706 C[C@H](OC1COC(=O)O1)[C@@H](N)c2ccccc2 34a_100134616770_100000032252 [1,0,1,0,0,0|2,0,0]=4 3 B18R2.7832 NCC(Cc1ccccc1)OC2COC(=O)O2 34a_100000752270_100000032252 [1,0,1,0,0,0|2,0,0]=4 4 B18R2.7838 OC[C@@H](NC1CCOC1)[C@H](O)c2ccccc2 2230a_100000004308_100000731011 [1,0,1,0,0,0|1,0,1]=4 5 B18R2.7838 OC[C@@H](NC1CCOC1)[C@H](O)c2ccccc2 270004a_100000004308_100000752484 [1,0,1,0,0,0|1,0,1]=4 6 B18R1.24596 O=C(O)CN(CCO)CC[C@@H](O)c1ccccc1 269956a_100000747938_100000729684 [0,0,2,0,0,0|2,0,0]=4 7 B18R1.2219 CNC(=O)CCN[C@H](CO)[C@H](O)c1ccccc1 2230a_100000004308_100000737683 [0,0,2,0,0,0|2,0,0]=4 8 B18R1.2219 COC(=O)CCN[C@H](CO)[C@H](O)c1ccccc1 2230a_100000004308_100000204255 [0,0,2,0,0,0|1,0,0]=3 9 B18R1.45536 CC(=O)NCCN[C@H](CO)[C@H](O)c1ccccc1 2230a_100000004308_100000189650 [0,0,2,0,0,0|2,0,0]=4 10 B20R3.5153 O=C1OCC(O1)OC2COCC2c3ccccc3 34a_100010739164_100000032252 [0,0,1,1,0,0|2,0,0]=4 11 B20R2.193794 O=C1N[C@H](CO1)CN[C@H](CO)[C@H](O)c2ccccc2 2230a_100000004308_100015307671 [0,0,1,0,0,1|2,0,0]=4 12 B17R1.956 CCOC(=O)CCNCC(O)c1ccccc1 2230a_100000210709_100011206558 [1,0,2,0,0,0|1,0,0]=4 13 B17R1.956 CCOC(=O)CCOCC(C)c1ccccc1 34a_100011215166_100000765890 [1,0,2,0,0,0|1,0,0]=4 14 B17R1.956 CCOC(=O)CCOCC(C)c1ccccc1 7a_100011215166_100011206558 [1,0,2,0,0,0|1,0,0]=4 15 B17R1.956 CCOC(=O)CCOC[C@@H](N)c1ccccc1 34a_100000751927_100000765890 [1,0,2,0,0,0|1,0,0]=4 16 B17R1.956 CCOC(=O)CCSCC(O)c1ccccc1 62a_100000185958_100000765890 [1,0,2,0,0,0|0,1,0]=4 17 B17R1.956 CCOC(=O)CCSCC(O)c1ccccc1 62a_100000765890_100000185958 [1,0,2,0,0,0|0,1,0]=4 18 B17R1.956 CCOC(=O)CCSC[C@@H](O)c1ccccc1 62a_100000765890_100011933945 [1,0,2,0,0,0|0,1,0]=4 19 B17R1.956 CCOC(=O)CCSC[C@@H](O)c1ccccc1 62a_100011933945_100000765890 [1,0,2,0,0,0|0,1,0]=4 20 B17R1.8305 O=C(O)CC(O)CNCC(O)c1ccccc1 269956a_100011218706_100000185958 [1,0,2,0,0,0|1,0,0]=4 21 B17R1.8305 O=C(O)CC(O)CNC[C@@H](O)c1ccccc1 269956a_100011218706_100011933945 [1,0,2,0,0,0|1,0,0]=4 22 B17R1.2544 CC[C@H](CC(=O)O)NCC(O)c1ccccc1 269956a_100016995926_100000185958 [1,0,2,0,0,0|1,0,0]=4 23 B17R1.2544 CC[C@H](CC(=O)O)NC[C@@H](O)c1ccccc1 269956a_100016995926_100011933945 [1,0,2,0,0,0|1,0,0]=4 24 B17R1.2544 O=C(O)C[C@@H](CO)NCC(O)c1ccccc1 269956a_100009816507_100000185958 [1,0,2,0,0,0|1,0,0]=4 25 B17R1.2544 O=C(O)C[C@@H](CO)NC[C@@H](O)c1ccccc1 269956a_100009816507_100011933945 [1,0,2,0,0,0|1,0,0]=4 26 B17R1.1235 COC(=O)CCO[C@@H](C)[C@@H](N)c1ccccc1 34a_100134616770_100000742370 [1,0,2,0,0,0|1,0,0]=4 27 B17R1.1329 CC(=O)OCCO[C@@H](C)[C@@H](N)c1ccccc1 34a_100134616770_100009814007 [1,0,2,0,0,0|1,0,0]=4 28 B17R1.1367 CCC(Cc1ccccc1)OCCC(=O)OC 7a_100000760156_100000204255 [1,0,2,0,0,0|1,0,0]=4 29 B17R1.1367 COC(=O)CCNC(CO)Cc1ccccc1 2230a_100000739027_100000204255 [1,0,2,0,0,0|1,0,0]=4 30 B17R1.1367 COC(=O)CCOC(CN)Cc1ccccc1 34a_100000752270_100000742370 [1,0,2,0,0,0|1,0,0]=4 31 B17R1.1367 COC(=O)CCO[C@H](CCl)Cc1ccccc1 7a_100000729385_100000204255 [1,0,2,0,0,0|1,0,0]=4 32 B17R1.2652 CC(=O)OCCOC(CN)Cc1ccccc1 34a_100000752270_100009814007 [1,0,2,0,0,0|1,0,0]=4 33 B17R1.2652 CC(=O)OCCO[C@H](CCl)Cc1ccccc1 7a_100000729385_100009814007 [1,0,2,0,0,0|1,0,0]=4 34 B17R1.2652 CCC(Cc1ccccc1)OCCOC(=O)C 7a_100000760156_100009814007 [1,0,2,0,0,0|1,0,0]=4 35 B17R2.3241 O=C1CC(CN1)OCC(O)c2ccccc2 34a_100000690082_100000185958 [2,0,1,0,0,0|1,0,0]=4 36 B17R2.3241 O=C1CC(CN1)OC[C@@H](O)c2ccccc2 34a_100000690082_100011933945 [2,0,1,0,0,0|1,0,0]=4 37 B17R2.3241 O=C1CCC(C1)OCC(O)c2ccccc2 34a_100012614533_100000185958 [2,0,1,0,0,0|1,0,0]=4 38 B17R2.3241 O=C1CCC(C1)OC[C@@H](O)c2ccccc2 34a_100012614533_100011933945 [2,0,1,0,0,0|1,0,0]=4 39 B17R2.3229 CC(Cc1ccccc1)OC2CCC(=O)C2 34a_100012614533_200011218536 [2,0,1,0,0,0|1,0,0]=4 40 B17R2.3229 CC(Cc1ccccc1)OC2CNC(=O)C2 34a_100000690082_200011218536 [2,0,1,0,0,0|1,0,0]=4 41 B17R2.3229 CC(Cc1ccccc1)OC2COC(=O)O2 34a_100000748627_100000032252 [2,0,1,0,0,0|1,0,0]=4 42 B19R1.30950 CCCC(CC(=O)OC)OCC(O)c1ccccc1 7a_100000065524_100000185958 [0,1,2,0,0,0|1,0,0]=4 43 B19R1.30950 CCCC(CC(=O)OC)OC[C@@H](O)c1ccccc1 7a_100000065524_100011933945 [0,1,2,0,0,0|1,0,0]=4 44 B19R1.45793 COC(=O)CC(C)N[C@H](CO)[C@H](O)c1ccccc1 2230a_100000004308_100009817358 [0,1,2,0,0,0|1,0,0]=4 45 B19R1.32274 CCOC(=O)CCN[C@H](CO)[C@H](O)c1ccccc1 2230a_100000004308_100011206558 [0,1,2,0,0,0|1,0,0]=4 46 B19R1.63104 CC(=O)OCC(C)N[C@H](CO)[C@H](O)c1ccccc1 270004a_100000004308_100000000629 [0,1,2,0,0,0|1,0,0]=4 47 B19R2.4369 O=C1COCC(N1)COCC(O)c2ccccc2 34a_200000101122_100000185958 [0,0,2,1,0,0|1,0,0]=4 48 B19R2.4369 O=C1COCC(N1)COC[C@@H](O)c2ccccc2 34a_200000101122_100011933945 [0,0,2,1,0,0|1,0,0]=4 49 B19R2.2256 COC(=O)CCOC1COCC1c2ccccc2 34a_100010739164_100000742370 [0,0,2,1,0,0|1,0,0]=4 50 B19R2.2256 COC(=O)CCOC1COCC1c2ccccc2 7a_100010739164_100000204255 [0,0,2,1,0,0|1,0,0]=4 51 B19R2.8731 CC(=O)OCCOC1COCC1c2ccccc2 34a_100010739164_100009814007 [0,0,2,1,0,0|1,0,0]=4 52 B19R2.8731 CC(=O)OCCOC1COCC1c2ccccc2 7a_100010739164_100009814007 [0,0,2,1,0,0|1,0,0]=4 53 B19R3.3810 O=C1CC(CN1)OC2Cc3ccccc3C2O 34a_100000690082_100000211646 [1,0,1,1,0,0|1,0,0]=4 54 B19R3.3810 O=C1CCC(C1)OC2Cc3ccccc3C2O 34a_100012614533_100000211646 [1,0,1,1,0,0|1,0,0]=4 55 B17R1.6189 O=C(O)CN(CCO)CC(O)c1ccccc1 269956a_100000747938_100000185958 [0,0,2,0,1,0|1,0,0]=4 56 B17R1.6189 O=C(O)CN(CCO)C[C@@H](O)c1ccccc1 269956a_100000747938_100011933945 [0,0,2,0,1,0|1,0,0]=4 57 B17R1.1379 COC(=O)CN[C@H](CO)[C@H](O)c1ccccc1 2230a_100000004308_100000747449 [0,0,2,0,1,0|1,0,0]=4