0 B9R0.39 CC(C)CC(CN)C(=O)O 1792AL [0,0,0,0,0,0|3,0,1]=4 1 B9R0.39 CC(C)C[C@@H](CN)C(=O)O 0447AB [0,0,0,0,0,0|3,0,1]=4 2 B9R0.39 CC(C)C[C@H](CN)C(=O)O 0749AB [0,0,0,0,0,0|3,0,1]=4 3 B8R0.16 C=CC(CC)OC(C)=O 4942AL [1,0,0,0,0,0|3,0,0]=4 4 B8R0.23 CC(=O)C(C)CC(=O)O 7164AL [1,0,0,0,0,0|3,0,0]=4 5 B8R0.23 CC(=O)N[C@@H](C)C(N)=O U537 [1,0,0,0,0,0|1,0,0]=2 6 B8R0.23 CC(NC(N)=O)C(=O)O 3202AL [1,0,0,0,0,0|1,0,0]=2 7 B10R0.53 NCC(=O)NC(CO)C(=O)O 7991AL [0,1,0,0,0,0|0,1,0]=2 8 B10R0.53 NCC(=O)NC(CO)C(=O)O 7992AL [0,1,0,0,0,0|0,1,0]=2 9 B10R0.53 NCC(=O)N[C@@H](CO)C(=O)O 7022AH [0,1,0,0,0,0|0,1,0]=2 10 B10R0.54 COC(=O)[C@H](CO)NC(C)=O 6113AH [0,1,0,0,0,0|0,1,0]=2 11 B10R0.162 CC(=O)NC(C(=O)O)C(C)C U790 [0,1,0,0,0,0|1,0,0]=2 12 B10R0.162 CC(=O)O[C@@H](C(=O)O)C(C)C 2918AH [0,1,0,0,0,0|2,0,0]=3 13 B10R1.30 O=C1CNC(=O)[C@H](CO)N1 Z5910 [0,0,0,1,0,0|1,1,0]=3 14 B10R1.359 CC1(C)N[C@H](C(=O)O)CS1 0313AC [0,0,0,1,0,0|1,0,1]=3 15 B10R1.359 O=C(O)C1CCS(=O)(=O)N1 X9093 [0,0,0,1,0,0|3,0,0]=4 16 B10R1.361 O=C(O)C1CCC1C(=O)O 3225AL [0,0,0,1,0,0|3,0,0]=4 17 B7R0.5 CCNC(C)C(N)=O 7697AD [2,0,0,0,0,0|1,0,1]=4 18 B7R0.5 CCSC(C)C(=O)O 6924AD [2,0,0,0,0,0|1,0,1]=4 19 B7R0.15 CCC(OC)C(=O)O 8292AB [2,0,0,0,0,0|2,0,0]=4 20 B7R0.15 CN[C@H](CO)C(=O)O 0556AP [2,0,0,0,0,0|0,1,0]=3 21 B7R0.2 C=CC(C)OC(C)=O 6010AL [2,0,0,0,0,0|2,0,0]=4 22 B7R0.6 CC(=O)NNC(C)=O D302 [2,0,0,0,0,0|2,0,0]=4 23 B7R0.6 CC(=O)SCC(=O)O Y7206 [2,0,0,0,0,0|1,0,0]=3 24 B7R0.6 CC(=O)\C=C\C(=O)O Y9180 [2,0,0,0,0,0|1,0,1]=4 25 B7R0.6 N=C(N)NCC(=O)O 4588AD [2,0,0,0,0,0|2,0,0]=4 26 B9R0.11 CC(=O)NC(C)(C)C(=O)O 5143AE [1,1,0,0,0,0|0,0,0]=2 27 B9R0.42 CCC(=O)NC(C)C(=O)O 5709AE [1,1,0,0,0,0|0,0,0]=2 28 B9R0.42 C[C@H](NC(=O)CN)C(N)=O 5011AD [1,1,0,0,0,0|1,0,0]=3 29 B9R0.57 CC(NS(C)(=O)=O)C(=O)O 4008AC [1,1,0,0,0,0|1,0,0]=3 30 B9R0.79 CC(C(=O)O)C(C)C(=O)O X7355 [1,1,0,0,0,0|2,0,0]=4 31 B9R0.79 CC(C(=O)O)C(N)C(=O)O 0243AC [1,1,0,0,0,0|2,0,0]=4 32 B9R0.54 CC(C)C(C(=O)O)C(=O)O W7278 [0,1,0,0,1,0|2,0,0]=4 33 B11R0.160 CSCCC(NC(N)=O)C(=O)O 9603AD [0,2,0,0,0,0|1,0,0]=3 34 B11R0.88 COC(=O)NC(OC)C(=O)OC 3756AL [0,2,0,0,0,0|2,0,0]=4 35 B11R0.108 CC(C)[C@@H](NC(=O)CN)C(=O)O 1192AA [0,2,0,0,0,0|1,0,0]=3 36 B11R0.234 CC(=O)NC(C(=O)O)C(C)(C)S B449 [0,2,0,0,0,0|0,0,0]=2 37 B9R1.6 O=C(O)C1CCCSC1 W3499 [1,0,0,1,0,0|1,0,1]=4 38 B9R1.6 O=C(O)C1COCCN1 W7764 [1,0,0,1,0,0|0,1,1]=4 39 B9R1.6 O=C(O)[C@@H]1COCCN1 X8814 [1,0,0,1,0,0|0,1,1]=4 40 B9R1.6 O=C(O)[C@@H]1CSCCN1 9064AH [1,0,0,1,0,0|0,0,1]=3 41 B9R1.35 CC1NC(C(=O)O)CS1 2967AE [1,0,0,1,0,0|0,0,1]=3 42 B9R1.41 O=C(O)C1NCCC1O 2291AJ [1,0,0,1,0,0|0,1,1]=4 43 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O 8555AH [1,0,0,1,0,0|0,1,1]=4 44 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O 8692AH [1,0,0,1,0,0|0,1,1]=4 45 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O V6664 [1,0,0,1,0,0|0,1,1]=4 46 B9R1.2 O=C1CCCC(CO)N1 3344AJ [1,0,0,1,0,0|1,0,1]=4 47 B9R1.2 O=C1CCC[C@@H](CO)N1 5437AA [1,0,0,1,0,0|1,0,1]=4 48 B9R1.161 O=C(O)C1CC1C(=O)O 7423AA [1,0,0,1,0,0|2,0,0]=4 49 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(=O)O 7217AA [1,0,0,1,0,0|2,0,0]=4 50 B9R1.168 CC(=O)C1(C(=O)O)CC1 X5135 [0,0,0,1,1,0|1,0,0]=3 51 B9R1.168 CC(=O)C1(C(C)=O)CC1 1475AL [0,0,0,1,1,0|2,0,0]=4 52 B11R1.645 CC(=O)NC1CC(=O)OC1=O 5642AB [0,0,0,1,0,1|0,1,1]=4 53 B11R1.228 O=C(CCl)NC1CCSC1=O 3016AC [0,1,0,1,0,0|1,1,0]=4 54 B11R1.277 C[C@@H]1NC(=O)[C@H](CO)NC1=O Z5668 [0,1,0,1,0,0|1,1,0]=4 55 B11R2.47 O=C1NC2CCC1NC2=O 5346AJ [0,0,0,2,0,0|2,0,0]=4 56 B7R0.16 CC(=O)C(Br)C(C)=O 9608AD [1,0,0,0,1,0|2,0,0]=4 57 B7R0.16 CC(C(=O)O)N(C)C 5353AD [1,0,0,0,1,0|2,0,0]=4 58 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O 7119AH [1,0,0,0,0,1|2,0,0]=4 59 B9R0.7 CC(=O)SC[C@@H](C)C(=O)O K790 [1,0,0,0,0,1|1,0,0]=3 60 B9R0.7 CC(NCC(=O)O)C(=O)O 0376AE [1,0,0,0,0,1|1,0,0]=3 61 B9R0.7 C[C@@H](CCC(=O)O)C(=O)O 4199AL [1,0,0,0,0,1|2,0,0]=4