0 B9R1.35 NC1=NN=C(C(=O)O)N1 BBL001452 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.35 O=C(O)C1CC(O)CN1 BBL001541 [0,0,0,0,0,0|2,0,2]=4 2 B9R1.35 O=C1C=C(C(=O)O)NN1 BBL010248 [0,0,0,0,0,0|3,0,1]=4 3 B9R1.35 O=C1CCC(C(=O)O)N1 BBL011576 [0,0,0,0,0,0|0,0,0]=0 4 B9R1.35 O=C1NC=C(C(=O)O)N1 BBL003459 [0,0,0,0,0,0|1,0,2]=3 5 B9R1.35 O=C1NN=C(C(=O)[O-])N1 BBL033572 [0,0,0,0,0,0|2,0,2]=4 6 B8R1.7 NC(=O)C1CCCN1 BBL010815 [1,0,0,0,0,0|1,0,1]=3 7 B8R1.7 O=C(O)C1=NN=CN1 BBL033501 [1,0,0,0,0,0|2,0,1]=4 8 B8R1.7 O=C(O)C1CCCO1 BBL001404 [1,0,0,0,0,0|1,0,1]=3 9 B8R1.7 O=C(O)C1NCCS1 BBL034715 [1,0,0,0,0,0|1,0,1]=3 10 B10R1.58 CN1CC(C(=O)O)CC1=O BBL009745 [0,1,0,0,0,0|2,0,0]=3 11 B10R1.194 CC1C(=O)OCC1C(=O)O BBL002983 [0,1,0,0,0,0|2,0,0]=3 12 B10R1.359 O=C(O)C1CCS(=O)(=O)C1 BBL012835 [0,1,0,0,0,0|2,0,0]=3 13 B8R0.8 CCCCC(Br)C(=O)O BBL011383 [0,0,1,0,0,0|2,0,1]=4 14 B8R0.8 CCCCC(N)C(=O)O BBL011583 [0,0,1,0,0,0|1,0,1]=3 15 B8R0.8 CSCCC(N)C(=O)O BBL009323 [0,0,1,0,0,0|2,0,0]=3 16 B8R0.9 COC(=O)CCC(C)=O BBL011529 [0,0,1,0,0,0|3,0,0]=4 17 B8R0.9 NCC(=O)NCC(=O)O BBL018705 [0,0,1,0,0,0|1,0,0]=2 18 B8R0.9 O=C(O)CNC(=O)CCl BBL027867 [0,0,1,0,0,0|1,0,0]=2 19 B8R0.23 CC(=O)NC(C)C(=O)O BBL007614 [0,0,1,0,0,0|0,0,0]=1 20 B8R0.23 CC(NC(N)=O)C(=O)O BBL027929 [0,0,1,0,0,0|1,0,0]=2 21 B8R0.23 C\C(=C/C(=O)O)C(=O)O BBL023435 [0,0,1,0,0,0|2,0,1]=4 22 B8R0.23 NC(CC(=O)O)C(=O)O BBL002458 [0,0,1,0,0,0|3,0,0]=4 23 B8R0.23 O=C(O)CC(S)C(=O)O BBL011516 [0,0,1,0,0,0|3,0,0]=4 24 B8R0.28 CN(C)CCCC(=O)O BBL011871 [0,0,1,0,0,0|3,0,0]=4 25 B8R0.28 O=C(O)CNCC(=O)O BBL027454 [0,0,1,0,0,0|2,0,0]=3 26 B8R1.23 C=C1CC(C(=O)O)C1 BBL104102 [0,0,0,0,1,0|2,0,0]=3 27 B8R1.23 O=C1CC(C(=O)O)C1 BBL011270 [0,0,0,0,1,0|1,0,0]=2 28 B10R1.13 O=C1C=CC(C(=O)O)=CN1 BBL001444 [0,0,0,0,0,1|0,0,3]=4 29 B10R1.13 O=C1C=CC(C(=O)O)=NN1 BBL015079 [0,0,0,0,0,1|0,0,3]=4 30 B10R1.13 O=C1CCC(C(=O)O)=NN1 BBL012242 [0,0,0,0,0,1|0,0,1]=2 31 B10R1.113 NC1CCCC(C(=O)O)C1 BBL028080 [0,0,0,0,0,1|2,0,1]=4 32 B7R0.4 CCCOCC(=O)O BBL008506 [1,0,1,0,0,0|1,0,1]=4 33 B7R0.4 NCCCCC(=O)O BBL027702 [1,0,1,0,0,0|0,0,1]=3 34 B7R0.6 CC(=O)CCC(=O)O BBL027404 [1,0,1,0,0,0|1,0,0]=3 35 B7R0.6 CC(=O)CCC(C)=O BBL027731 [1,0,1,0,0,0|2,0,0]=4 36 B7R0.6 CC(=O)NCC(=O)O BBL020087 [1,0,1,0,0,0|0,0,0]=2 37 B7R0.6 O=C(O)CCC(=O)O BBL002473 [1,0,1,0,0,0|2,0,0]=4 38 B7R0.15 CCC(CC)C(=O)O BBL018400 [1,0,1,0,0,0|1,0,1]=4 39 B7R0.15 CCC(NC)C(=O)O BBL022845 [1,0,1,0,0,0|0,0,1]=3 40 B7R1.1 OCC1CCCN1 BBL021035 [2,0,0,0,0,0|0,0,2]=4 41 B7R1.2 CC1CCC(=O)O1 BBL011475 [2,0,0,0,0,0|1,0,1]=4 42 B7R1.2 O=C1CCC(=O)C1 BBL011146 [2,0,0,0,0,0|1,0,1]=4 43 B7R1.2 O=C1CNC(=O)N1 BBL013200 [2,0,0,0,0,0|1,0,1]=4 44 B9R0.7 O=C(O)CCC(=O)C(=O)O BBL010614 [0,1,1,0,0,0|1,0,1]=4 45 B9R0.8 COC(=O)C(N)CCSC BBL010083 [0,1,1,0,0,0|2,0,0]=4 46 B9R0.47 CCNCCC(N)C(=O)O BBL009900 [0,1,1,0,0,0|1,0,1]=4 47 B9R0.47 NCCCCC(N)C(=O)O BBL002414 [0,1,1,0,0,0|1,0,1]=4 48 B9R0.48 CCOC(=O)CCC(C)=O BBL009708 [0,1,1,0,0,0|2,0,0]=4 49 B9R0.48 COCC(=O)NCC(=O)O BBL031276 [0,1,1,0,0,0|0,0,0]=2 50 B9R0.53 NN(CC(=O)O)CC(=O)O BBL011592 [0,1,1,0,0,0|2,0,0]=4 51 B9R0.53 O=C(O)CC(=O)CC(=O)O BBL027398 [0,1,1,0,0,0|1,0,1]=4 52 B9R1.11 CNC(=O)[C@@H]1CCCN1 BBL033606 [1,1,0,0,0,0|1,0,1]=4 53 B11R1.645 O=C(O)CC1NC(=O)NC1=O BBL010048 [0,1,0,0,0,1|1,0,1]=4 54 B11R1.710 O=C(O)CC1CCS(=O)(=O)C1 BBL010300 [0,1,0,0,0,1|2,0,0]=4 55 B11R1.226 COC(=O)C1CC(=O)N(C)C1 BBL021676 [0,2,0,0,0,0|2,0,0]=4 56 B11R1.48 CCN1CC(C(=O)O)CC1=O BBL020267 [0,2,0,0,0,0|2,0,0]=4 57 B11R1.489 CC1(C)OC(=O)CC1C(=O)O BBL010565 [0,2,0,0,0,0|2,0,0]=4 58 B7R0.16 CC(=O)C(Cl)C(C)=O BBL011522 [0,0,1,0,1,0|2,0,0]=4 59 B7R0.16 CC(C(=O)O)C(=O)O BBL027393 [0,0,1,0,1,0|1,0,0]=3 60 B7R1.18 O=C(O)C1CNC1 BBL101508 [1,0,0,0,1,0|1,0,1]=4 61 B9R0.55 O=C(O)CCCCC(=O)O BBL011615 [0,0,1,0,0,1|1,0,0]=3 62 B11R1.20 CC(=O)NC1CCC(=O)CC1 BBL034880 [0,0,0,0,0,2|2,0,0]=4 63 B11R1.157 O=C(O)CN1CCNC(=O)C1 BBL011125 [0,0,0,0,0,2|2,0,0]=4