0 B9R1.35 C=C1CCC(C(=O)O)C1 ALBB-032418 [0,0,0,0,0,0|2,0,0]=2 1 B9R1.35 CC1=NC(C(=O)O)CC1 ALBB-029781 [0,0,0,0,0,0|1,0,1]=2 2 B9R1.35 CC1=NOC(C(=O)O)C1 ALBB-009863 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.35 CN1CCC(C(=O)O)C1 ALBB-004694 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.35 O=C1NC=C(C(=O)O)N1 ALBB-024887 [0,0,0,0,0,0|1,0,2]=3 5 B9R1.35 O=C1NN=C(C(=O)O)N1 ALBB-000293 [0,0,0,0,0,0|2,0,1]=3 6 B9R1.35 O=C1NN=C(C(=O)O)N1 ALBB-000293 [0,0,0,0,0,0|2,0,1]=3 7 B8R1.1 CCC1COC(=O)N1 ALBB-022268 [1,0,0,0,0,0|2,0,1]=4 8 B8R1.1 O=C1CCC(CBr)O1 ALBB-027787 [1,0,0,0,0,0|2,0,1]=4 9 B8R1.1 O=C1CCC(CCl)O1 ALBB-014758 [1,0,0,0,0,0|2,0,1]=4 10 B8R1.7 CC(=O)C1CCCC1 ALBB-012222 [1,0,0,0,0,0|2,0,1]=4 11 B8R1.7 O=C(Cl)C1CCCO1 ALBB-034786 [1,0,0,0,0,0|2,0,1]=4 12 B10R1.58 CN1CC(C(=O)Cl)CC1=O ALBB-016178 [0,1,0,0,0,0|3,0,0]=4 13 B10R1.359 CC1(C)CCC(C(=O)O)O1 ALBB-031866 [0,1,0,0,0,0|2,0,1]=4 14 B10R1.470 CN1CCC(C)(C(=O)O)C1 ALBB-026620 [0,1,0,0,0,0|3,0,0]=4 15 B8R0.9 CCC(=O)CCC(=O)O ALBB-025658 [0,0,1,0,0,0|1,0,0]=2 16 B8R0.9 CCN(C)CCC(=O)O ALBB-004150 [0,0,1,0,0,0|3,0,0]=4 17 B8R0.9 CCN(C)CCC(=O)O ALBB-004150 [0,0,1,0,0,0|3,0,0]=4 18 B8R0.23 CC(CN(C)C)C(=O)O ALBB-004149 [0,0,1,0,0,0|3,0,0]=4 19 B8R0.28 NC(=O)CCCC(=O)O ALBB-003883 [0,0,1,0,0,0|0,0,0]=1 20 B8R0.28 NC(=O)COCC(=O)O ALBB-003798 [0,0,1,0,0,0|1,0,0]=2 21 B8R1.23 O=C(O)C1CC(O)C1 ALBB-029104 [0,0,0,0,1,0|1,0,2]=4 22 B10R1.13 O=C1CCC(C(=O)O)CN1 ALBB-028504 [0,0,0,0,0,1|0,0,0]=1 23 B10R1.54 O=C(O)CC1CCC(=O)N1 ALBB-030064 [0,0,0,0,0,1|0,0,0]=1 24 B10R1.113 CC1CCCC(C(=O)O)N1 ALBB-017902 [0,0,0,0,0,1|1,0,1]=3 25 B10R1.113 CC1CCCC(C(=O)O)N1 ALBB-017902 [0,0,0,0,0,1|1,0,1]=3 26 B7R0.4 CCCNCC(=O)O ALBB-034573 [1,0,1,0,0,0|0,0,1]=3 27 B7R0.4 CCSCCC(=O)O ALBB-004315 [1,0,1,0,0,0|2,0,0]=4 28 B7R0.5 CC(NC=O)C(=O)O ALBB-004064 [1,0,1,0,0,0|0,0,0]=2 29 B7R0.5 CNCC(C)C(=O)O ALBB-016160 [1,0,1,0,0,0|2,0,0]=4 30 B7R0.15 CCC(CN)C(=O)O ALBB-030607 [1,0,1,0,0,0|1,0,1]=4 31 B7R0.15 CCC(NC)C(=O)O ALBB-018675 [1,0,1,0,0,0|0,0,1]=3 32 B7R0.15 CCC(NC)C(N)=O ALBB-016817 [1,0,1,0,0,0|1,0,1]=4 33 B7R0.15 CCC(OC)C(=O)O ALBB-019164 [1,0,1,0,0,0|1,0,1]=4 34 B7R1.1 OCC1CCCN1 ALBB-021094 [2,0,0,0,0,0|0,0,2]=4 35 B9R0.8 COC(=O)C(N)CCCN ALBB-025688 [0,1,1,0,0,0|1,0,1]=4 36 B9R0.47 C=CCCNC(C)C(=O)O ALBB-033610 [0,1,1,0,0,0|2,0,0]=4 37 B9R0.64 CCS(=O)(=O)CCC(=O)O ALBB-005690 [0,1,1,0,0,0|2,0,0]=4 38 B9R0.11 CC(=O)NC(C)(C)C(=O)O ALBB-016630 [0,1,1,0,0,0|0,0,0]=2 39 B9R1.125 CC1(CO)COC(=O)N1 ALBB-032203 [1,1,0,0,0,0|1,0,1]=4 40 B9R1.11 CNC(=O)C1CCCN1 ALBB-027135 [1,1,0,0,0,0|1,0,1]=4 41 B9R1.163 CC1(C(=O)O)CCCO1 ALBB-005264 [1,1,0,0,0,0|1,0,1]=4 42 B11R1.21 CN1CC(C(=O)O)CCC1=O ALBB-014112 [0,1,0,0,0,1|0,0,0]=2 43 B11R1.23 COC(=O)C1CCNC(=O)C1 ALBB-028020 [0,1,0,0,0,1|1,0,0]=3 44 B11R1.23 COC(=O)C1CNNC(=O)C1 ALBB-017139 [0,1,0,0,0,1|2,0,0]=4 45 B11R1.74 O=C1CC(C(=O)O)CC(=O)N1 ALBB-031784 [0,1,0,0,0,1|1,0,1]=4 46 B11R1.226 COC(=O)C1CC(=O)N(C)C1 ALBB-017749 [0,2,0,0,0,0|2,0,0]=4 47 B11R1.865 COC(=O)C1CCC(=O)N1C ALBB-014305 [0,2,0,0,0,0|0,0,0]=2 48 B9R2.139 O=C1CCC2(CC2)N1 ALBB-013310 [1,0,0,1,0,0|1,0,1]=4 49 B7R0.16 CC(C(=O)O)N(C)C ALBB-000114 [0,0,1,0,1,0|2,0,0]=4 50 B7R1.18 NC(=O)C1CCC1 ALBB-016496 [1,0,0,0,1,0|1,0,1]=4 51 B9R0.55 O=C(O)CNNCC(=O)O ALBB-029031 [0,0,1,0,0,1|2,0,0]=4 52 B9R1.13 O=C(O)CC1CCCO1 ALBB-014184 [1,0,0,0,0,1|1,0,1]=4