0 B14R1.160 NC1=C(C(=O)NCC(=O)[O-])C=CC=C1 BBL033534 [0,0,0,0,0,0|2,0,1]=3 1 B13R1.45 CN(C)CCC(=O)C1=CC=CC=C1 BBL027796 [1,0,0,0,0,0|3,0,0]=4 2 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=C1 BBL010613 [1,0,0,0,0,0|0,0,0]=1 3 B13R1.45 O=C(O)CNC(=O)C1=CC=CC=C1 BBL008217 [1,0,0,0,0,0|1,0,0]=2 4 B13R1.45 O=C(O)CNC(=O)C1=CN=CC=C1 BBL027892 [1,0,0,0,0,0|2,0,0]=3 5 B13R1.45 O=C(O)\C=C\C(=O)C1=CC=CC=C1 BBL007891 [1,0,0,0,0,0|0,0,2]=3 6 B13R1.158 CC1=C(CSCC(=O)O)C=CC=C1 BBL000513 [1,0,0,0,0,0|2,0,1]=4 7 B13R1.674 C=CCNC(=O)C1=CC=CC=C1N BBL023428 [1,0,0,0,0,0|3,0,0]=4 8 B13R1.674 NC1=CC=CC=C1C(=O)NCCO BBL023432 [1,0,0,0,0,0|2,0,1]=4 9 B15R1.5822 NC1=CC(Cl)=C(C(=O)NCC(=O)O)C=C1 BBL032350 [0,1,0,0,0,0|2,0,0]=3 10 B15R1.5822 O=C(O)CNC(=O)C1=C(Cl)C=C(Cl)C=C1 BBL025896 [0,1,0,0,0,0|2,0,0]=3 11 B15R2.6 CC(=O)CCC1=CNC2=CC=CC=C12 BBL036431 [0,0,0,1,0,0|3,0,0]=4 12 B15R2.6 O=C(O)CCC1=CNC2=C1C=CC=C2 BBL001406 [0,0,0,1,0,0|2,0,0]=3 13 B15R2.6 O=C(O)CCC1=NN=C2C=CC=CN21 BBL031712 [0,0,0,1,0,0|3,0,0]=4 14 B15R2.6 O=C(O)CCN1C=CC2=CC=CC=C21 BBL009886 [0,0,0,1,0,0|3,0,0]=4 15 B15R2.6 O=C(O)CCN1C=NC2=C1C=CC=C2 BBL007714 [0,0,0,1,0,0|3,0,0]=4 16 B15R2.629 O=C(O)CN1CC2=C(C=CC=C2)C1=O BBL012194 [0,0,0,1,0,0|2,0,0]=3 17 B15R2.629 O=C(O)CN1SC2=CC=CC=C2C1=O BBL011903 [0,0,0,1,0,0|1,1,0]=3 18 B15R2.14951 O=C(O)C1=CC(=O)C2=CC=CC=C2O1 BBL011801 [0,0,0,1,0,0|0,0,2]=3 19 B13R1.201 NC(CC(=O)O)C1=CC=CC=C1Br BBL008169 [0,0,0,0,1,0|2,0,1]=4 20 B13R1.201 NC(CC(=O)O)C1=CC=CC=C1Cl BBL013281 [0,0,0,0,1,0|2,0,1]=4 21 B15R1.256 CC1=CC=CC=C1NC(=O)\C=C/C(=O)O BBL018594 [0,0,0,0,0,1|1,0,2]=4 22 B15R1.256 O=C(O)\C=C/C(=O)NC1=C(Br)C=CC=C1 BBL018496 [0,0,0,0,0,1|1,0,2]=4 23 B15R1.8019 CC(C)CCOC(=O)C1=CC=CC=C1O BBL027857 [0,0,0,0,0,1|2,0,1]=4 24 B15R1.8019 NC1=C(C(=O)NCCC(=O)O)C=CC=C1 BBL011160 [0,0,0,0,0,1|1,0,0]=2 25 B12R1.30 CCCCC(=O)C1=CC=CC=C1 BBL011454 [2,0,0,0,0,0|1,0,1]=4 26 B12R1.252 O=C(O)CCSC1=CC=CC=C1 BBL000175 [2,0,0,0,0,0|1,0,0]=3 27 B12R1.252 O=C(O)CSCC1=CC=CC=C1 BBL000319 [2,0,0,0,0,0|1,0,1]=4 28 B14R1.149 NC1=CC(C(=O)NCC(=O)O)=CC=C1 BBL011773 [1,1,0,0,0,0|1,0,0]=3 29 B14R1.149 O=C(O)CNC(=O)C1=CC(Br)=CC=C1 BBL036196 [1,1,0,0,0,0|1,0,0]=3 30 B14R1.149 O=C(O)CNC(=O)C1=CC=CC(F)=C1 BBL036057 [1,1,0,0,0,0|1,0,0]=3 31 B14R1.678 CC1=CC=C(C(=O)CCC(=O)O)C=C1 BBL000484 [1,1,0,0,0,0|0,0,0]=2 32 B14R1.678 CC1=CC=C(C(=O)NCC(=O)O)C=C1 BBL025689 [1,1,0,0,0,0|1,0,0]=3 33 B14R1.678 NC1=CC=C(C(=O)NCC(=O)O)C=C1 BBL027666 [1,1,0,0,0,0|1,0,0]=3 34 B14R1.678 O=C(O)CCC(=O)C1=CC=C(Cl)C=C1 BBL008658 [1,1,0,0,0,0|0,0,0]=2 35 B14R1.678 O=C(O)CCC(=O)C1=CC=C(F)C=C1 BBL008682 [1,1,0,0,0,0|0,0,0]=2 36 B14R1.678 O=C(O)CNC(=O)C1=CC=C(Br)C=C1 BBL036193 [1,1,0,0,0,0|1,0,0]=3 37 B14R1.813 O=C(O)CCS(=O)(=O)C1=CC=CC=C1 BBL008675 [1,1,0,0,0,0|1,0,0]=3 38 B14R1.840 COC1=CC=CC=C1C(=O)CC(C)=O BBL036991 [0,1,0,0,1,0|1,0,0]=3 39 B16R1.1369 COC1=C(NC(=O)\C=C/C(=O)O)C=CC=C1 BBL018856 [0,1,0,0,0,1|0,0,2]=4 40 B16R1.1369 CSC1=CC=CC=C1NC(=O)CCC(=O)O BBL017722 [0,1,0,0,0,1|0,1,0]=3 41 B16R1.7488 CC1=CC(NC(=O)CCC(=O)O)=C(F)C=C1 BBL017741 [0,1,0,0,0,1|1,0,0]=3 42 B16R1.11232 CC1=CC=CC(C)=C1NC(=O)CCC(=O)O BBL027860 [0,1,0,0,0,1|1,0,0]=3 43 B16R1.11390 O=C(O)CCC(=O)NC1=CC=C(Cl)C=C1F BBL017739 [0,1,0,0,0,1|1,0,0]=3 44 B16R1.7492 NC1=CC(C(=O)NCCC(=O)O)=C(Cl)C=C1 BBL032725 [0,1,0,0,0,1|1,0,0]=3 45 B16R1.11442 NC1=CC(Cl)=C(C(=O)NCCC(=O)O)C=C1 BBL009624 [0,1,0,0,0,1|1,0,0]=3 46 B16R1.16904 COC(=O)C(=O)CC(=O)C1=C(O)C=CC=C1 BBL038165 [0,2,0,0,0,0|0,0,1]=3 47 B16R1.40243 O=C(O)CCS(=O)(=O)C1=CC(Cl)=CC=C1Cl BBL007989 [0,2,0,0,0,0|2,0,0]=4 48 B14R1.423 O=C(O)CCC(=O)NC1=CC=CC=C1 BBL036006 [0,0,1,1,0,0|2,0,0]=4 49 B14R1.4526 O=C(O)CCC(=O)NCC1=CC=CO1 BBL002368 [0,0,1,1,0,0|1,0,1]=4 50 B14R2.781 CC(=O)C1COC2=C(C=CC=C2)O1 BBL028620 [1,0,0,1,0,0|2,0,0]=4 51 B14R2.781 O=C(O)C1COC2=CC=CC=C2O1 BBL001421 [1,0,0,1,0,0|1,0,0]=3 52 B14R2.2 O=C(O)CC1=CNC2=C1C=CC=C2 BBL009348 [0,0,0,1,1,0|2,0,0]=4 53 B14R2.450 CC1=C(C(=O)O)OC2=C1C=CC=C2 BBL015172 [0,0,0,1,1,0|1,0,1]=4 54 B16R2.3989 NC(=O)CC1NC2=CC=CC=C2NC1=O BBL012297 [0,0,0,1,0,1|2,0,0]=4 55 B16R2.3989 O=C(O)CC1OC2=CC=CC=C2NC1=O BBL028771 [0,0,0,1,0,1|0,0,0]=2 56 B16R2.3989 O=C(O)CC1SC2=CC=CC=C2NC1=O BBL028184 [0,0,0,1,0,1|0,1,0]=3 57 B16R2.36 O=C(O)CCCC1=CNC2=CC=CC=C12 BBL000073 [0,0,0,1,0,1|2,0,0]=4 58 B16R2.3270 O=C(O)C1CC(C2=C(O)C=CC=C2)=NO1 BBL039455 [0,0,0,1,0,1|2,0,0]=4 59 B16R2.3270 [C@@H]1(C(=O)O)CSC(C2=CC=CC=C2O)N1 BBL029381 [0,0,0,1,0,1|1,0,1]=4 60 B16R2.3356 O=C(O)CCN1CC2=CC=CC=C2C1=O BBL012195 [0,0,0,1,0,1|1,0,0]=3 61 B16R2.3356 O=C(O)CCN1SC2=CC=CC=C2C1=O BBL029416 [0,0,0,1,0,1|0,1,0]=3 62 B16R2.83538 O=C(O)CN1N=CC2=CC=CC=C2C1=O BBL008280 [0,1,0,1,0,0|2,0,0]=4 63 B16R2.179941 O=C(O)CCC1=C2C=CC=CC2=CC=C1 BBL009378 [0,1,0,1,0,0|2,0,0]=4 64 B16R2.12 CC(CC1=CNC2=C1C=CC=C2)C(=O)O BBL029501 [0,1,0,1,0,0|2,0,0]=4 65 B16R2.12 NC(CC1=CNC2=C1C=CC=C2)C(=O)O BBL004467 [0,1,0,1,0,0|2,0,0]=4 66 B16R2.3355 C[C@@H](C(=O)O)N1SC2=CC=CC=C2C1=O BBL033597 [0,1,0,1,0,0|1,1,0]=4 67 B16R2.33887 COC(=O)C1=CC(=O)C2=CC=CC=C2O1 BBL022615 [0,1,0,1,0,0|0,0,2]=4 68 B16R2.23501 O=C(O)C1=CC(=O)C2=C(C=CC(Br)=C2)O1 BBL029214 [0,1,0,1,0,0|0,0,2]=4 69 B16R2.23501 O=C(O)C1=CC(=O)C2=CC(Cl)=CC=C2O1 BBL012013 [0,1,0,1,0,0|0,0,2]=4 70 B16R2.4003 O=C(O)CCC1C(=O)NC2=C1C=CC=C2 BBL010435 [0,1,0,1,0,0|1,0,1]=4 71 B16R2.4003 O=C(O)CCN1C(=O)OC2=CC=CC=C21 BBL008294 [0,1,0,1,0,0|1,0,0]=3 72 B16R2.4003 O=C(O)CCN1C(=O)SC2=CC=CC=C21 BBL007785 [0,1,0,1,0,0|1,1,0]=4 73 B16R2.4003 O=C(O)CCN1C(=S)OC2=C1C=CC=C2 BBL028869 [0,1,0,1,0,0|1,1,0]=4 74 B12R1.54 O=C(O)CCC(=O)C1=CC=CS1 BBL027878 [1,0,0,0,1,0|1,0,0]=3 75 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 BBL005127 [1,0,0,0,1,0|1,0,1]=4 76 B12R1.125 CC1=C(NCC(=O)O)C=CC=C1 BBL038113 [1,0,0,0,1,0|2,0,0]=4 77 B12R1.125 CC1=C(OCC(=O)O)C=CC=C1 BBL023122 [1,0,0,0,1,0|2,0,0]=4 78 B12R1.125 CC1=CC=CC=C1\C=C\C(=O)O BBL013455 [1,0,0,0,1,0|1,0,1]=4 79 B12R1.125 O=C(O)CCC1=C(Cl)C=CC=C1 BBL012110 [1,0,0,0,1,0|1,0,0]=3 80 B12R1.125 O=C(O)CCC1=C(F)C=CC=C1 BBL025641 [1,0,0,0,1,0|1,0,0]=3 81 B12R1.125 O=C(O)CNC1=C(F)C=CC=C1 BBL027394 [1,0,0,0,1,0|2,0,0]=4 82 B12R1.125 O=C(O)COC1=C(Br)C=CC=C1 BBL013547 [1,0,0,0,1,0|2,0,0]=4 83 B12R1.125 O=C(O)COC1=CC=CC=C1Cl BBL012541 [1,0,0,0,1,0|2,0,0]=4 84 B12R1.125 O=C(O)COC1=CC=CC=C1F BBL013906 [1,0,0,0,1,0|2,0,0]=4 85 B12R1.125 O=C(O)\C=C\C1=C(Br)C=CC=C1 BBL017155 [1,0,0,0,1,0|1,0,1]=4 86 B12R1.125 O=C(O)\C=C\C1=C(F)C=CC=C1 BBL016304 [1,0,0,0,1,0|1,0,1]=4 87 B12R1.125 O=C(O)\C=C\C1=C(O)C=CC=C1 BBL013048 [1,0,0,0,1,0|0,0,1]=3 88 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1Cl BBL036324 [1,0,0,0,1,0|1,0,1]=4 89 B14R1.420 O=C(O)CCNC(=O)C1=CC=CC=C1 BBL000483 [1,0,0,0,0,1|0,0,0]=2