0 B9R1.35 C1C(=NNC1=O)C(=O)O A2Z00050178 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.35 C1C(CNC1=O)C(=O)N A2Z00050382 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.35 C1C(NNC1=O)C(=O)O A2Z00050207 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.35 c1([nH]c(nn1)N)C(=O)O A2Z00096022 [0,0,0,0,0,0|3,0,1]=4 4 B9R1.35 c1c([nH][nH]c1=O)C(=O)O A2Z00050177 [0,0,0,0,0,0|3,0,1]=4 5 B8R1.1 C1C(CNC1=O)CO A2Z00050383 [1,0,0,0,0,0|2,0,1]=4 6 B8R1.7 C1CNCC1C(=O)O A2Z00096244 [1,0,0,0,0,0|2,0,0]=3 7 B8R1.7 c1cc([nH]c1)C(=O)O A2Z00070219 [1,0,0,0,0,0|0,0,3]=4 8 B10R1.31 c1cc([nH]c1C=O)C(=O)O A2Z00096160 [0,1,0,0,0,0|0,0,3]=4 9 B10R1.359 C1CS(=O)(=O)CC1C(=O)O A2Z00083335 [0,1,0,0,0,0|2,0,0]=3 10 B10R1.470 CC1(CC(=O)NC1)C(=O)O A2Z00096322 [0,1,0,0,0,0|2,0,0]=3 11 B8R0.8 CSCCC(C(=O)O)N A2Z00093547 [0,0,1,0,0,0|2,0,0]=3 12 B8R0.9 C(CC(=O)O)C(=O)CN A2Z00096158 [0,0,1,0,0,0|2,0,0]=3 13 B8R0.9 CCC(=O)NCC(=O)O A2Z00046377 [0,0,1,0,0,0|0,0,0]=1 14 B8R0.23 CC(=O)CC(C(=O)O)N A2Z00050345 [0,0,1,0,0,0|2,0,0]=3 15 B8R0.28 CC(=O)NCCC(=O)O A2Z00046392 [0,0,1,0,0,0|2,0,0]=3 16 B10R1.13 C1CC(=O)NN=C1C(=O)O A2Z00083466 [0,0,0,0,0,1|0,0,1]=2 17 B10R1.13 C1CC(NCC1O)C(=O)O A2Z00049742 [0,0,0,0,0,1|0,0,2]=3 18 B10R1.13 c1cc(=O)[nH]cc1C(=O)O A2Z00094278 [0,0,0,0,0,1|0,0,3]=4 19 B10R1.13 c1cc(=O)[nH]nc1C(=O)O A2Z00083465 [0,0,0,0,0,1|0,0,3]=4 20 B10R1.113 C1C(CNNC1=O)C(=O)O A2Z00096532 [0,0,0,0,0,1|2,0,0]=3 21 B7R0.4 C(CCS)CC(=O)O A2Z00070146 [1,0,1,0,0,0|0,1,1]=4 22 B7R0.4 C(CSCC(=O)O)N A2Z00070138 [1,0,1,0,0,0|1,0,1]=4 23 B7R0.4 C=CCSCC(=O)O A2Z00097871 [1,0,1,0,0,0|2,0,0]=4 24 B7R0.4 CSCCCC(=O)O A2Z00070144 [1,0,1,0,0,0|2,0,0]=4 25 B7R0.2 CC(CO)NC(=O)C A2Z00047992 [1,0,1,0,0,0|0,0,1]=3 26 B7R1.2 C1C(=O)NC(=O)S1 A2Z00014660 [2,0,0,0,0,0|1,0,1]=4 27 B7R1.2 C1CC(=O)OC1O A2Z00096558 [2,0,0,0,0,0|1,0,0]=3 28 B9R0.7 CC(CNC(=O)N)C(=O)O A2Z00049561 [0,1,1,0,0,0|2,0,0]=4 29 B9R0.24 COC(=O)CCC(=O)CBr A2Z00049450 [0,1,1,0,0,0|2,0,0]=4 30 B9R0.24 COC(=O)CCC(=O)CN A2Z00096232 [0,1,1,0,0,0|2,0,0]=4 31 B9R0.39 C(C(CN)C(=O)O)C(=O)O A2Z00096527 [0,1,1,0,0,0|2,0,0]=4 32 B9R0.79 CC(C(C(=O)O)O)C(=O)O A2Z00049599 [0,1,1,0,0,0|2,0,0]=4 33 B9R0.1 C(CC(=O)CN)CC(=O)O A2Z00050332 [0,1,1,0,0,0|0,0,0]=2 34 B9R0.1 COC(=O)CCCC(=O)Cl A2Z00094387 [0,1,1,0,0,0|1,0,0]=3 35 B9R0.1 COC(=O)CCC[N+](=O)[O-] A2Z00096316 [0,1,1,0,0,0|2,0,0]=4 36 B9R0.1 COC(=O)CCNC(=O)N A2Z00050193 [0,1,1,0,0,0|1,0,0]=3 37 B9R0.53 C(C(=O)O)N(CC(=O)O)N A2Z00049600 [0,1,1,0,0,0|2,0,0]=4 38 B9R0.56 CS(=O)(=O)CCCC(=O)O A2Z00070145 [0,1,1,0,0,0|2,0,0]=4 39 B9R1.11 COC(=O)C1CCCN1 A2Z00096650 [1,1,0,0,0,0|0,0,1]=3 40 B9R1.11 COC(=O)C1CCNC1 A2Z00096294 [1,1,0,0,0,0|2,0,0]=4 41 B11R1.710 C1CS(=O)(=O)CC1CC(=O)O A2Z00057281 [0,1,0,0,0,1|2,0,0]=4 42 B11R1.23 COC(=O)C1CC(=O)NNC1 A2Z00096525 [0,1,0,0,0,1|2,0,0]=4 43 B11R1.489 CC1(C(CC(=O)O1)C(=O)O)C A2Z00087599 [0,2,0,0,0,0|2,0,0]=4 44 B9R1.161 C1[C@@H]([C@H]1C(=O)O)C(=O)O A2Z00096513 [0,0,1,1,0,0|2,0,0]=4 45 B9R2.139 C1CC2(CC2)NC1=O A2Z00050478 [1,0,0,1,0,0|1,0,1]=4 46 B11R2.66 C1CC(=O)N2C1=CC(=O)C2 A2Z00050341 [0,0,0,1,0,1|1,0,1]=4