0 B23R2.343575737 CC=1c2ccc(cc2OC(=O)C1CC(=O)NCC(O)=O)OC Amb18479020 [0,0,0,0,0,0|0,0,0]=0 1 B22R2.120748461 CC1=C(CC(=O)NCC(O)=O)C(=O)Oc2cc(O)ccc21 Amb21924635 [1,0,0,0,0,0|0,0,0]=1 2 B22R2.120748461 CC=1c2ccc(O)cc2OC(=O)C1CC(=O)NCC(C)C Amb21918076 [1,0,0,0,0,0|2,0,1]=4 3 B22R2.120748461 CC=1c2ccc(O)cc2OC(=O)C1CC(=O)NCC(C)O Amb21925697 [1,0,0,0,0,0|1,0,1]=3 4 B24R2.45631030 CC=1c2cc(Cl)c(cc2OC(=O)C1CC(=O)NCC(O)=O)OC Amb18481765 [0,1,0,0,0,0|0,0,0]=1 5 B24R2.580216008 COc1ccc2c(OC(=O)C(CC(=O)NCC(O)=O)=C2C)c1C Amb21924484 [0,1,0,0,0,0|0,0,0]=1 6 B24R2.580216062 CC=1c2ccc(cc2OC(=O)C1CC(=O)N(C)CC(O)=O)OC Amb18481088 [0,1,0,0,0,0|0,0,0]=1 7 B24R2.580216071 CC=1c2ccc(cc2OC(=O)C1CC(=O)NCC(O)CO)OC Amb21925675 [0,1,0,0,0,0|0,0,2]=3 8 B24R2.580216628 CC=1c2ccc(cc2OC(=O)C1CC(=O)NC(C)C(O)=O)OC Amb23457400 [0,1,0,0,0,0|0,0,0]=1 9 B24R2.580216628 CC=1c2ccc(cc2OC(=O)C1CC(=O)N[C@@H](C)C(O)=O)OC Amb17975875 [0,1,0,0,0,0|0,0,0]=1 10 B24R2.580216064 CC=1c2ccc(cc2OC(=O)C1CCC(=O)NCC(C)C)OC Amb20804358 [0,0,0,0,0,1|2,0,1]=4 11 B24R2.580216064 CC=1c2ccc(cc2OC(=O)C1CCC(=O)NCC(O)=O)OC Amb18481858 [0,0,0,0,0,1|0,0,0]=1 12 B24R2.580216358 CC=1c2ccc(cc2OC(=O)C1CC(=O)NCCC(O)=O)OC Amb17991901 [0,0,0,0,0,1|0,0,0]=1 13 B23R2.16061641 CC1=C(CC(=O)NCC(O)=O)C(=O)Oc2cc(O)c(Cl)cc21 Amb18481790 [1,1,0,0,0,0|0,0,0]=2 14 B23R2.198523943 CC1=C(CC(=O)NCC(O)=O)C(=O)Oc2cc(O)cc(O)c21 Amb21916735 [1,1,0,0,0,0|0,0,0]=2 15 B23R2.198523943 CC=1c2c(cc(O)cc2O)OC(=O)C1CC(=O)NCC(C)O Amb21925563 [1,1,0,0,0,0|1,0,1]=4 16 B23R2.198523943 Cc1cc2OC(=O)C(CC(=O)NCC(O)=O)=C(C)c2c(O)c1 Amb18481842 [1,1,0,0,0,0|0,0,0]=2 17 B23R2.232995106 CC1=C(CC(=O)NCC(O)=O)C(=O)Oc2c1ccc(O)c2O Amb18481825 [1,1,0,0,0,0|0,0,0]=2 18 B23R2.232995106 Cc1c2OC(=O)C(CC(=O)NCC(O)=O)=C(C)c2ccc1O Amb18481474 [1,1,0,0,0,0|0,0,0]=2 19 B23R2.232995115 CC=1c2ccc(O)cc2OC(=O)C1CC(=O)N(C)CC(O)=O Amb18480374 [1,1,0,0,0,0|0,0,0]=2 20 B23R2.232995277 CC=1c2ccc(O)cc2OC(=O)C1CC(=O)N[C@@H](C)C(O)=O Amb21915342 [1,1,0,0,0,0|0,0,0]=2 21 B25R2.961336367 CC=1c2ccc(cc2OC(=O)C1CCC(=O)N(C)CC(O)=O)OC Amb18480406 [0,1,0,0,0,1|0,0,0]=2 22 B25R2.961336475 CC=1c2ccc(cc2OC(=O)C1CCC(=O)N[C@@H](C)C(O)=O)OC Amb18481859 [0,1,0,0,0,1|0,0,0]=2 23 B25R2.961340673 COc1ccc2c(OC(=O)C(CCC(=O)NCC(O)=O)=C2C)c1C Amb18481106 [0,1,0,0,0,1|0,0,0]=2 24 B25R2.961341090 CC=1c2ccc(cc2OC(=O)C1CCC(=O)NCC(=O)NC)OC Amb20804025 [0,1,0,0,0,1|1,0,0]=3 25 B25R2.961341090 CC=1c2ccc(cc2OC(=O)C1CCC(=O)NCC(O)CO)OC Amb21925490 [0,1,0,0,0,1|0,0,2]=4 26 B25R2.68043938 CC=1c2cc(Cl)c(cc2OC(=O)C1CC(=O)NCCC(O)=O)OC Amb21916125 [0,1,0,0,0,1|0,0,0]=2 27 B25R2.961335369 COc1ccc2c(OC(=O)C(CC(=O)NCCC(O)=O)=C2C)c1C Amb21924593 [0,1,0,0,0,1|0,0,0]=2 28 B25R2.68043412 CC=1c2cc(OC)c(cc2OC(=O)C1CC(=O)NCC(O)=O)OC Amb17976615 [0,2,0,0,0,0|0,0,0]=2 29 B25R2.68044422 CC=1c2cc(Cl)c(cc2OC(=O)C1CC(=O)N[C@@H](C)C(O)=O)OC Amb18481836 [0,2,0,0,0,0|0,0,0]=2 30 B25R2.68059263 CC=1c2cc(Cl)c(cc2OC(=O)C1CC(=O)NCC(O)CO)OC Amb19792483 [0,2,0,0,0,0|0,0,2]=4 31 B25R2.961335191 CC=1c2ccc(OC)c(OC)c2OC(=O)C1CC(=O)NCC(C)O Amb21919622 [0,2,0,0,0,0|1,0,1]=4 32 B25R2.961335191 CC=1c2ccc(OC)c(OC)c2OC(=O)C1CC(=O)NCC(O)=O Amb17976588 [0,2,0,0,0,0|0,0,0]=2 33 B25R2.961335558 COc1ccc2c(OC(=O)C(CC(=O)N[C@@H](C)C(O)=O)=C2C)c1C Amb17976429 [0,2,0,0,0,0|0,0,0]=2 34 B25R2.961340666 COc1ccc2c(OC(=O)C(CC(=O)N(C)CC(O)=O)=C2C)c1C Amb18481146 [0,2,0,0,0,0|0,0,0]=2 35 B25R2.961340741 CC=1c2ccc(cc2OC(=O)C1CC(=O)NC(CC)C(O)=O)OC Amb18481089 [0,2,0,0,0,0|0,0,0]=2 36 B25R2.68057106 CC=1c2c(cc(cc2OC(=O)C1CC(=O)NCC(O)=O)OC)OC Amb21916577 [0,2,0,0,0,0|0,0,0]=2 37 B23R3.220833140 CC=1c2ccc(cc2OC(=O)C1CC(=O)NC3CC3)OC Amb21918370 [1,0,0,1,0,0|1,0,1]=4 38 B23R2.99996555 CC=1c2ccc(cc2OC(=O)C1CCC(=O)NCC#C)OC Amb20804506 [1,0,0,0,0,1|1,0,1]=4 39 B23R2.99996555 CC=1c2ccc(cc2OC(=O)C1CCC(=O)NCCC)OC Amb20803604 [1,0,0,0,0,1|1,0,1]=4 40 B23R2.232995117 CC=1c2ccc(O)cc2OC(=O)C1CCC(=O)NCC(O)=O Amb18480332 [1,0,0,0,0,1|0,0,0]=2 41 B23R2.232995216 CC1=C(CC(=O)NCCC(O)=O)C(=O)Oc2cc(O)ccc21 Amb18481541 [1,0,0,0,0,1|0,0,0]=2 42 B25R2.961336359 CC=1c2ccc(cc2OC(=O)C1CCC(=O)NCCC(O)=O)OC Amb18481861 [0,0,0,0,0,2|0,0,0]=2 43 B25R2.961341591 CC=1c2ccc(cc2OC(=O)C1CC(=O)NCCCC(O)=O)OC Amb18481781 [0,0,0,0,0,2|0,0,0]=2