0 B14R1.160 CC(=O)NNC(=O)C1=C(O)C=CC=C1 SBB116756 [0,0,0,0,0,0|3,0,0]=3 1 B14R1.160 CN(CCC(=O)O)C1=C(F)C=CC=C1 SBB303003 [0,0,0,0,0,0|3,0,0]=3 2 B14R1.160 O=C(O)CNC(=O)C1=C(Br)C=CC=C1 SBB004568 [0,0,0,0,0,0|2,0,0]=2 3 B14R1.160 O=C(O)CNC(=O)C1=C(Cl)C=CC=C1 SBB004567 [0,0,0,0,0,0|2,0,0]=2 4 B14R1.160 O=C(O)CNC(=O)C1=C(F)C=CC=C1 SBB004576 [0,0,0,0,0,0|2,0,0]=2 5 B14R1.160 O=C(O)CNC(=O)C1=C(I)C=CC=C1 SBB004565 [0,0,0,0,0,0|2,0,0]=2 6 B14R1.160 O=C(O)CNC(=O)C1=C(O)C=CC=C1 SBB000337 [0,0,0,0,0,0|1,0,0]=1 7 B13R1.45 CC(=O)CCC(=O)C1=CC=CC=C1 SBB071424 [1,0,0,0,0,0|1,0,0]=2 8 B13R1.45 CC(=O)OCC(=O)C1=CC=CC=C1 SBB063952 [1,0,0,0,0,0|2,0,0]=3 9 B13R1.45 CN(C)CCC(=O)C1=CC=CC=C1 SBB068823 [1,0,0,0,0,0|3,0,0]=4 10 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=C1 SBB057733 [1,0,0,0,0,0|0,0,0]=1 11 B13R1.45 O=C(O)CCC(=O)C1=CN=CC=C1 SBB010635 [1,0,0,0,0,0|1,0,0]=2 12 B13R1.45 O=C(O)CCC(O)C1=CC=CC=C1 SBB010649 [1,0,0,0,0,0|0,0,2]=3 13 B13R1.45 O=C(O)CNC(=O)C1=CC=CN=C1 SBB045240 [1,0,0,0,0,0|2,0,0]=3 14 B13R1.45 O=C(O)COC(=O)C1=CN=CC=C1 SBB056615 [1,0,0,0,0,0|2,0,0]=3 15 B13R1.45 O=C(O)\C=C\C(=O)C1=CC=CC=C1 SBB007952 [1,0,0,0,0,0|0,0,2]=3 16 B13R1.45 OC(=O)CNC(=O)C1=CC=CC=C1 SBB003759 [1,0,0,0,0,0|1,0,0]=2 17 B13R1.45 [NH+](C)(C)CCC(=O)C1=CC=CC=C1 SBB057905 [1,0,0,0,0,0|3,0,0]=4 18 B13R1.158 CC1=CC=CC=C1OCCC(=O)O SBB085282 [1,0,0,0,0,0|2,0,0]=3 19 B13R1.158 NC(=O)N\N=C\C1=C(O)C=CC=C1 SBB112643 [1,0,0,0,0,0|3,0,0]=4 20 B13R1.158 O=C(O)CCOC1=CC=CC=C1F SBB027408 [1,0,0,0,0,0|2,0,0]=3 21 B13R1.674 C=CCNC(=O)C1=CC=CC=C1N SBB079880 [1,0,0,0,0,0|3,0,0]=4 22 B13R1.674 O=C(OCCO)C1=C(O)C=CC=C1 SBB058788 [1,0,0,0,0,0|1,0,1]=3 23 B15R1.86 COC1=C(N(C)CCC(=O)O)C=CC=C1 SBB303242 [0,1,0,0,0,0|2,0,0]=3 24 B15R1.5793 CC(NC(=O)C1=CC=CC=C1Cl)C(=O)O SBB004607 [0,1,0,0,0,0|2,0,0]=3 25 B15R1.5793 NC1=C(C(=O)CC(N)C(=O)O)C=CC=C1 SBB005347 [0,1,0,0,0,0|1,0,0]=2 26 B15R1.5815 O=C(CCl)NNC(=O)C1=CC=CC=C1O SBB300722 [0,1,0,0,0,0|3,0,0]=4 27 B15R1.5815 O=C(OCC(O)CO)C1=CC=CC=C1O SBB072603 [0,1,0,0,0,0|1,0,2]=4 28 B15R1.5822 CC1=C(C(=O)CCC(=O)O)C=CC(F)=C1 SBB011240 [0,1,0,0,0,0|1,0,0]=2 29 B15R1.5822 CC1=CC(C)=C(C(O)CCC(=O)O)C=C1 SBB011204 [0,1,0,0,0,0|1,0,2]=4 30 B15R1.5822 CC1=CC=C(C(=O)CCC(=O)O)C(C)=C1 SBB057504 [0,1,0,0,0,0|1,0,0]=2 31 B15R1.5822 O=C(O)CNC(=O)C1=C(Cl)C=C(Cl)C=C1 SBB004574 [0,1,0,0,0,0|2,0,0]=3 32 B15R1.8420 CC1=CC(C(=O)\C=C\C(=O)O)=C(C)C=C1 SBB042715 [0,1,0,0,0,0|1,0,2]=4 33 B15R1.10019 CCN(CCC(=O)O)C1=C(F)C=CC=C1 SBB303008 [0,1,0,0,0,0|3,0,0]=4 34 B15R2.6 CC(=O)CCC1=CNC2=C1C=CC=C2 SBB090594 [0,0,0,1,0,0|3,0,0]=4 35 B15R2.6 O=C(O)CCC1=CNC2=C1C=CC=C2 SBB000276 [0,0,0,1,0,0|2,0,0]=3 36 B15R2.6 O=C(O)CCN1C=CC2=CC=CC=C21 SBB044904 [0,0,0,1,0,0|3,0,0]=4 37 B15R2.6 O=C(O)CCN1C=NC2=CC=CC=C21 SBB010152 [0,0,0,1,0,0|3,0,0]=4 38 B15R2.6 O=C(O)CCN1N=CC2=C1C=CC=C2 SBB010825 [0,0,0,1,0,0|3,0,0]=4 39 B15R2.6 O=C(O)CCN1N=NC2=CC=CC=C21 SBB010847 [0,0,0,1,0,0|3,0,0]=4 40 B15R2.6 O=C(O)CSC1=CNC2=CC=CC=C21 SBB027890 [0,0,0,1,0,0|3,0,0]=4 41 B15R2.629 CC1=C(CC(=O)O)SC2=C1C=CC=C2 SBB093691 [0,0,0,1,0,0|1,1,1]=4 42 B15R2.629 O=C(O)CN1CC2=C(C=CC=C2)C1=O SBB010845 [0,0,0,1,0,0|2,0,0]=3 43 B15R2.14951 O=C(O)C1=CC2=CC=CC=C2C(=O)S1 SBB039707 [0,0,0,1,0,0|2,0,1]=4 44 B15R2.14951 O=C1NC(C(=O)O)CC2=CC=CC=C12 SBB010846 [0,0,0,1,0,0|2,0,0]=3 45 B15R2.14951 O=C1OC(C(=O)O)CC2=CC=CC=C12 SBB027395 [0,0,0,1,0,0|2,0,0]=3 46 B15R2.14951 OC(=O)C1=CC(=O)C2=C(C=CC=C2)O1 SBB003660 [0,0,0,1,0,0|0,0,2]=3 47 B13R1.201 CC(=O)CC(=O)C1=C(O)C=CC=C1 SBB007835 [0,0,0,0,1,0|1,0,0]=2 48 B13R1.201 CC1=C(C(N)CC(=O)O)C=CC=C1 SBB048873 [0,0,0,0,1,0|2,0,1]=4 49 B13R1.201 CC1=CC=CC=C1\C(C)=C\C(=O)O SBB084497 [0,0,0,0,1,0|2,0,1]=4 50 B13R1.201 NC(CC(=O)O)C1=CC=CC=C1Br SBB099793 [0,0,0,0,1,0|2,0,1]=4 51 B13R1.201 NC(CC(=O)O)C1=CC=CC=C1Cl SBB042795 [0,0,0,0,1,0|2,0,1]=4 52 B13R1.201 NC(CC(=O)O)C1=CC=CC=C1F SBB090035 [0,0,0,0,1,0|2,0,1]=4 53 B15R1.256 CC(=O)OCC(=O)NC1=CC=CC=C1C SBB000465 [0,0,0,0,0,1|3,0,0]=4 54 B15R1.256 CC1=C(NC(=O)CCC(=O)O)N=CC=C1 SBB300440 [0,0,0,0,0,1|2,0,0]=3 55 B15R1.256 CC1=CC=CC=C1NC(=O)CCC(=O)O SBB043509 [0,0,0,0,0,1|1,0,0]=2 56 B15R1.256 NC1=C(NC(=O)CCC(=O)O)C=CC=C1 SBB300335 [0,0,0,0,0,1|1,0,0]=2 57 B15R1.256 O=C(O)CCC(=O)NC1=C(F)C=CC=C1 SBB041148 [0,0,0,0,0,1|1,0,0]=2 58 B15R1.256 O=C(O)\C=C/C(=O)NC1=C(F)C=CC=C1 SBB015603 [0,0,0,0,0,1|1,0,2]=4 59 B15R1.256 O=C(O)\C=C\C(=O)NC1=C(Cl)C=CC=C1 SBB000657 [0,0,0,0,0,1|1,0,2]=4 60 B12R1.30 CCCCC(=O)C1=CC=CC=C1 SBB064862 [2,0,0,0,0,0|1,0,1]=4 61 B12R1.30 N#CCCC(=O)C1=CC=CC=C1 SBB087363 [2,0,0,0,0,0|1,0,1]=4 62 B12R1.252 NC(=O)CCCC1=CC=CC=C1 SBB051450 [2,0,0,0,0,0|1,0,1]=4 63 B12R1.252 O=C(Cl)CCCC1=CC=CC=C1 SBB040702 [2,0,0,0,0,0|1,0,1]=4 64 B12R1.252 O=C(O)CCCC1=CC=CC=C1 SBB008452 [2,0,0,0,0,0|0,0,1]=3 65 B12R1.252 O=C(O)CCCC1=CC=CC=N1 SBB014662 [2,0,0,0,0,0|1,0,1]=4 66 B12R1.252 O=C(O)CCCC1=CC=NC=C1 SBB014669 [2,0,0,0,0,0|1,0,1]=4 67 B12R1.252 O=C(O)CCSC1=CC=CC=C1 SBB049906 [2,0,0,0,0,0|1,0,0]=3 68 B12R1.252 O=C(O)CCSC1=CC=CC=N1 SBB103611 [2,0,0,0,0,0|2,0,0]=4 69 B12R1.252 O=C(O)CNCC1=CC=CC=C1 SBB003529 [2,0,0,0,0,0|1,0,1]=4 70 B12R1.252 O=C(O)CNCC1=CC=CC=C1 SBB063075 [2,0,0,0,0,0|1,0,1]=4 71 B12R1.252 O=C(O)COCC1=CC=CC=C1 SBB048109 [2,0,0,0,0,0|1,0,1]=4 72 B12R1.252 O=C(O)CSCC1=CC=CC=C1 SBB042552 [2,0,0,0,0,0|1,0,1]=4 73 B12R1.252 OC(=O)CCOC1=CC=CC=C1 SBB003895 [2,0,0,0,0,0|1,0,0]=3 74 B12R1.308 CCOC(=O)C1=CC=CC=C1O SBB058594 [2,0,0,0,0,0|1,0,1]=4 75 B14R1.149 CC1=CC(C(=O)NCC(=O)O)=CC=C1 SBB004569 [1,1,0,0,0,0|1,0,0]=3 76 B14R1.149 CC1=CC=CC(N(C)CCC(=O)O)=C1 SBB303002 [1,1,0,0,0,0|2,0,0]=4 77 B14R1.149 CN(CCC(=O)O)C1=CC(F)=CC=C1 SBB303004 [1,1,0,0,0,0|2,0,0]=4 78 B14R1.149 O=C(O)CNC(=O)C1=CC=CC(Br)=C1 SBB004581 [1,1,0,0,0,0|1,0,0]=3 79 B14R1.149 O=C(O)CNC(=O)C1=CC=CC(Cl)=C1 SBB004570 [1,1,0,0,0,0|1,0,0]=3 80 B14R1.149 O=C(O)CNC(=O)C1=CN=CC(Br)=C1 SBB028007 [1,1,0,0,0,0|2,0,0]=4 81 B14R1.149 O=C(O)CNC(=O)C1=CN=CC(O)=C1 SBB300575 [1,1,0,0,0,0|2,0,0]=4 82 B14R1.163 COC(=O)CCC(=O)C1=CC=CC=C1 SBB008046 [1,1,0,0,0,0|0,0,0]=2 83 B14R1.415 CC(NC(=O)C1=CC=CC=C1)C(=O)O SBB004603 [1,1,0,0,0,0|1,0,0]=3 84 B14R1.415 O=C(NC(O)C(=O)O)C1=CC=CC=C1 SBB000336 [1,1,0,0,0,0|1,0,0]=3 85 B14R1.415 O=C(O)C(=O)CC(=O)C1=CC=CC=C1 SBB014905 [1,1,0,0,0,0|0,0,1]=3 86 B14R1.678 C(C(=O)O)=CC(=O)C1=CC=C(Cl)C=C1 SBB003444 [1,1,0,0,0,0|0,0,2]=4 87 B14R1.678 CC(=O)OCC(=O)C1=CC=C(Br)C=C1 SBB101819 [1,1,0,0,0,0|2,0,0]=4 88 B14R1.678 CC1=CC=C(C(=O)CCC(=O)O)C=C1 SBB040537 [1,1,0,0,0,0|0,0,0]=2 89 B14R1.678 CC1=CC=C(C(=O)NCC(=O)O)C=C1 SBB004566 [1,1,0,0,0,0|1,0,0]=3 90 B14R1.678 CC1=CC=C(C(=O)\C=C\C(=O)O)C=C1 SBB016222 [1,1,0,0,0,0|0,0,2]=4 91 B14R1.678 CC1=CC=C(C(O)CCC(=O)O)C=C1 SBB010911 [1,1,0,0,0,0|0,0,2]=4 92 B14R1.678 CN(CCC(=O)O)C1=CC=C(F)C=C1 SBB303005 [1,1,0,0,0,0|2,0,0]=4 93 B14R1.678 NC1=CC=C(C(=O)NCC(=O)O)C=C1 SBB000329 [1,1,0,0,0,0|1,0,0]=3 94 B14R1.678 NC1=CC=C(C(=O)NCC(=O)[O-])C=C1 SBB058025 [1,1,0,0,0,0|1,0,1]=4 95 B14R1.678 O=C(O)CCC(=O)C1=CC=C(Br)C=C1 SBB000956 [1,1,0,0,0,0|0,0,0]=2 96 B14R1.678 O=C(O)CCC(=O)C1=CC=C(Cl)C=C1 SBB003421 [1,1,0,0,0,0|0,0,0]=2 97 B14R1.678 O=C(O)CCC(=O)C1=CC=C(F)C=C1 SBB042480 [1,1,0,0,0,0|0,0,0]=2 98 B14R1.678 O=C(O)CCC(O)C1=CC=C(F)C=C1 SBB010969 [1,1,0,0,0,0|0,0,2]=4 99 B14R1.678 O=C(O)CNC(=O)C1=CC=C(Br)C=C1 SBB004582 [1,1,0,0,0,0|1,0,0]=3 100 B14R1.678 O=C(O)CNC(=O)C1=CC=C(Cl)C=C1 SBB004563 [1,1,0,0,0,0|1,0,0]=3 101 B14R1.678 O=C(O)CNC(=O)C1=CC=C(F)C=C1 SBB004562 [1,1,0,0,0,0|1,0,0]=3 102 B14R1.678 O=C(O)CNC(=O)C1=CC=C(O)C=C1 SBB056531 [1,1,0,0,0,0|1,0,0]=3 103 B14R1.678 O=C(O)\C=C\C(=O)C1=CC=C(Br)C=C1 SBB000940 [1,1,0,0,0,0|0,0,2]=4 104 B14R1.678 O=C(O)\C=C\C(=O)C1=CC=C(F)C=C1 SBB016223 [1,1,0,0,0,0|0,0,2]=4 105 B14R1.813 O=C(O)CCS(=O)(=O)C1=CC=CC=C1 SBB015222 [1,1,0,0,0,0|1,0,0]=3 106 B14R1.813 O=C(O)CNS(=O)(=O)C1=CC=CC=C1 SBB015317 [1,1,0,0,0,0|2,0,0]=4 107 B14R1.96 COC1=CC=CC=C1CCCC(=O)O SBB303071 [1,1,0,0,0,0|0,0,1]=3 108 B14R1.161 CC1=C(OCC(O)C(=O)O)C=CC=C1 SBB014000 [1,1,0,0,0,0|2,0,0]=4 109 B14R1.337 N[C@@H](CC(=O)O)CC1=CC=CC=C1Cl SBB064587 [1,1,0,0,0,0|1,0,1]=4 110 B14R1.2523 O=C(NCCO)C1=C(O)C=C(O)C=C1 SBB057771 [1,1,0,0,0,0|1,0,1]=4 111 B16R1.85 CC1=C(C)C(NC(=O)CCC(=O)O)=CC=C1 SBB043535 [0,1,0,0,0,1|1,0,0]=3 112 B16R1.1369 CCC1=C(NC(=O)CCC(=O)O)C=CC=C1 SBB051037 [0,1,0,0,0,1|1,0,0]=3 113 B16R1.1369 COC1=CC=CC=C1NC(=O)CCC(=O)O SBB039231 [0,1,0,0,0,1|0,0,0]=2 114 B16R1.1369 COC1=CC=CC=C1NC(=O)\C=C/C(=O)O SBB028544 [0,1,0,0,0,1|0,0,2]=4 115 B16R1.1369 CSC1=CC=CC=C1NC(=O)CCC(=O)O SBB051096 [0,1,0,0,0,1|0,1,0]=3 116 B16R1.7458 NNC(=O)CCC(=O)NC1=C(Cl)C=CC=C1 SBB030404 [0,1,0,0,0,1|2,0,0]=4 117 B16R1.7488 CC1=CC(NC(=O)CCC(=O)O)=C(C)C=C1 SBB015540 [0,1,0,0,0,1|1,0,0]=3 118 B16R1.7488 CC1=CC=C(F)C(NC(=O)CCC(=O)O)=C1 SBB051100 [0,1,0,0,0,1|1,0,0]=3 119 B16R1.11390 CC1=C(NC(=O)CCC(=O)O)C=CC(Cl)=C1 SBB015563 [0,1,0,0,0,1|1,0,0]=3 120 B16R1.11390 CC1=CC(C)=C(NC(=O)CCC(=O)O)C=C1 SBB015141 [0,1,0,0,0,1|1,0,0]=3 121 B16R1.11390 O=C(O)CCC(=O)NC1=C(F)C=C(Cl)C=C1 SBB051107 [0,1,0,0,0,1|1,0,0]=3 122 B16R1.4361 COC1=C(C(=O)CCC(=O)O)C=C(Cl)C=C1 SBB302376 [0,2,0,0,0,0|0,0,0]=2 123 B16R1.4361 COC1=C(C(=O)CCC(=O)O)C=C(F)C=C1 SBB011556 [0,2,0,0,0,0|0,0,0]=2 124 B16R1.4361 COC1=CC=C(C)C=C1C(=O)CCC(=O)O SBB027990 [0,2,0,0,0,0|0,0,0]=2 125 B16R1.4547 O=C(O)CNC(=O)C1=CC=CC=C1[N+](=O)[O-] SBB072623 [0,2,0,0,0,0|1,0,1]=4 126 B16R1.16904 COC(=O)C(=O)CC(=O)C1=CC=CC=C1F SBB024749 [0,2,0,0,0,0|1,0,1]=4 127 B16R1.16904 COC(=O)C(=O)CC(=O)C1=CC=CC=C1O SBB023854 [0,2,0,0,0,0|0,0,1]=3 128 B16R1.5624 CCOC(=O)CNC(=O)C1=CC=CC=C1Cl SBB099488 [0,2,0,0,0,0|2,0,0]=4 129 B16R1.5624 CCOC(=O)CNC(=O)C1=CC=CC=C1F SBB096814 [0,2,0,0,0,0|2,0,0]=4 130 B16R1.5638 COC1=CC=C(C(=O)CCC(=O)O)C(C)=C1 SBB027671 [0,2,0,0,0,0|1,0,0]=3 131 B16R1.40243 CC1=CC(S(=O)(=O)CCC(=O)O)=C(C)C=C1 SBB011830 [0,2,0,0,0,0|2,0,0]=4 132 B14R1.423 O=C(O)CCC(=O)NC1=CC=CC=C1 SBB006920 [0,0,1,1,0,0|2,0,0]=4 133 B14R1.4526 O=C(O)CCC(=O)NCC1=CC=CO1 SBB027689 [0,0,1,1,0,0|1,0,1]=4 134 B14R1.4522 O=C(O)CCC1=C(C(=O)O)C=CC=C1 SBB068826 [0,0,1,1,0,0|2,0,0]=4 135 B14R2.68 O=C1CCC(C2=CC=CC=C2)=NN1 SBB003803 [1,0,0,1,0,0|2,0,0]=4 136 B14R2.25733 CC(=O)N1CC(=O)C2=C1C=CC=C2 SBB066741 [1,0,0,1,0,0|2,0,0]=4 137 B14R2.25733 O=C1CC(C(=O)O)C2=CC=CC=C12 SBB053516 [1,0,0,1,0,0|0,0,0]=2 138 B14R2.768 O=C(O)CC1=CC2=CC=CC=C2N1 SBB053267 [1,0,0,1,0,0|1,0,1]=4 139 B14R2.768 O=C(O)CC1CC2=C(C=CC=C2)C1 SBB116894 [1,0,0,1,0,0|1,0,1]=4 140 B14R2.781 O=C(O)C1CCC2=CC=CC=C2O1 SBB053531 [1,0,0,1,0,0|0,0,1]=3 141 B14R2.781 O=C(O)C1CNC2=CC=CC=C2O1 SBB089531 [1,0,0,1,0,0|1,0,0]=3 142 B14R2.781 O=C(O)C1CNC2=NC=CC=C2O1 SBB053501 [1,0,0,1,0,0|2,0,0]=4 143 B14R2.781 O=C(O)C1COC2=CC=CC=C2C1 SBB053502 [1,0,0,1,0,0|2,0,0]=4 144 B14R2.781 O=C(O)C1COC2=CC=CC=C2O1 SBB000213 [1,0,0,1,0,0|1,0,0]=3 145 B14R2.2 O=C(O)CC1=CSC2=CC=CC=C12 SBB079524 [0,0,0,1,1,0|1,1,0]=4 146 B14R2.2 O=C(O)CC1=NOC2=CC=CC=C21 SBB053422 [0,0,0,1,1,0|1,0,0]=3 147 B14R2.2 OC(=O)CC1=CNC2=C1C=CC=C2 SBB017530 [0,0,0,1,1,0|2,0,0]=4 148 B14R2.450 OC(=O)C1=C(C)C2=CC=CC=C2O1 SBB003779 [0,0,0,1,1,0|1,0,1]=4 149 B16R2.477 O=C(O)CCC1COC2=CC=CC=C2O1 SBB013718 [0,0,0,1,0,1|1,0,1]=4 150 B16R2.3989 NC(=O)CC1SC2=CC=CC=C2NC1=O SBB115773 [0,0,0,1,0,1|1,1,0]=4 151 B16R2.3989 NC(=O)C[C@H]1NC2=CC=CC=C2NC1=O SBB041112 [0,0,0,1,0,1|2,0,0]=4 152 B16R2.3989 O=C(O)CC1=CC2=CC=CC=C2OC1=O SBB002794 [0,0,0,1,0,1|1,0,1]=4 153 B16R2.3989 O=C(O)CC1NC2=C(C=CC=C2)NC1=O SBB011130 [0,0,0,1,0,1|1,0,0]=3 154 B16R2.3989 O=C(O)CC1OC2=C(C=CC=C2)NC1=O SBB000464 [0,0,0,1,0,1|0,0,0]=2 155 B16R2.3989 O=C(O)CC1SC2=C(C=CC=C2)NC1=O SBB000620 [0,0,0,1,0,1|0,1,0]=3 156 B16R2.93202 O=C(O)CN1C(=O)OC2=C(Cl)C=CC=C21 SBB018988 [0,0,0,1,0,1|2,0,0]=4 157 B16R2.36 O=C(O)CCCC1=CNC2=C1C=CC=C2 SBB028533 [0,0,0,1,0,1|2,0,0]=4 158 B16R2.3270 O=C(O)C1CC(C2=C(O)C=CC=C2)=NO1 SBB011164 [0,0,0,1,0,1|2,0,0]=4 159 B16R2.3270 O=C(O)C1CSC(C2=CC=CC=C2O)N1 SBB027460 [0,0,0,1,0,1|1,0,1]=4 160 B16R2.3356 O=C(O)CCN1CC2=C(C=CC=C2)C1=O SBB027748 [0,0,0,1,0,1|1,0,0]=3 161 B16R2.16183 O=C(O)CN1C(=O)C2=C(C=CC=C2)C1=O SBB012684 [0,1,0,1,0,0|1,0,1]=4 162 B16R2.83538 O=C(O)CN1C=NC2=C(C=CC=C2)C1=O SBB018911 [0,1,0,1,0,0|2,0,0]=4 163 B16R2.83538 O=C(O)CN1N=CC2=CC=CC=C2C1=O SBB011076 [0,1,0,1,0,0|2,0,0]=4 164 B16R2.104522 CN1C=C(CCC(=O)O)C2=CC=CC=C21 SBB302395 [0,1,0,1,0,0|2,0,0]=4 165 B16R2.179941 O=C(O)CCC1=CC=CC2=CC=CC=C21 SBB057501 [0,1,0,1,0,0|2,0,0]=4 166 B16R2.22890 CC1=CC=CC2=C1OC(C(=O)O)=CC2=O SBB077691 [0,1,0,1,0,0|0,0,2]=4 167 B16R2.520 CC(CC(=O)O)C1=CNC2=C1C=CC=C2 SBB021964 [0,1,0,1,0,0|2,0,0]=4 168 B16R2.12 N[C@@H](CC1=CSC2=CC=CC=C12)C(=O)O SBB066460 [0,1,0,1,0,0|1,1,0]=4 169 B16R2.12 N[C@H](CC1=CNC2=C1C=CC=C2)C(=O)O SBB015044 [0,1,0,1,0,0|2,0,0]=4 170 B16R2.12 [C@H](N)(CC1=CSC2=C1C=CC=C2)C(=O)O SBB003098 [0,1,0,1,0,0|1,1,0]=4 171 B16R2.387812 CC1(C(=O)O)CC2=CC=CC=C2C(=O)O1 SBB084468 [0,1,0,1,0,0|2,0,0]=4 172 B16R2.14 COC(=O)CCC1=CNC2=CC=CC=C12 SBB079286 [0,1,0,1,0,0|2,0,0]=4 173 B16R2.133406 CC1=CC2=C(C=C1)C(=O)C=C(C(=O)O)O2 SBB076126 [0,1,0,1,0,0|0,0,2]=4 174 B16R2.23501 CC1=CC2=C(C=C1)OC(C(=O)O)=CC2=O SBB076125 [0,1,0,1,0,0|0,0,2]=4 175 B16R2.23501 O=C(O)C1=CC(=O)C2=C(C=CC(Br)=C2)O1 SBB016690 [0,1,0,1,0,0|0,0,2]=4 176 B16R2.23501 O=C(O)C1=CC(=O)C2=CC(Cl)=CC=C2O1 SBB005445 [0,1,0,1,0,0|0,0,2]=4 177 B16R2.23501 O=C(O)C1=CC(=O)C2=CC(F)=CC=C2O1 SBB065732 [0,1,0,1,0,0|0,0,2]=4 178 B16R2.4003 O=C(O)CCN1C(=O)OC2=CC=CC=C21 SBB006970 [0,1,0,1,0,0|1,0,0]=3 179 B16R2.4003 O=C(O)CCN1C(=O)SC2=C1C=CC=C2 SBB027746 [0,1,0,1,0,0|1,1,0]=4 180 B16R2.4003 O=C(O)CCN1C(=S)OC2=CC=CC=C21 SBB007367 [0,1,0,1,0,0|1,1,0]=4 181 B12R1.54 O=C(O)CCC(=O)C1=CC=CO1 SBB010490 [1,0,0,0,1,0|1,0,0]=3 182 B12R1.54 O=C(O)CCC(=O)C1=CC=CS1 SBB006959 [1,0,0,0,1,0|1,0,0]=3 183 B12R1.54 O=C(O)CNC(=O)C1=CC=CS1 SBB004583 [1,0,0,0,1,0|2,0,0]=4 184 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 SBB040798 [1,0,0,0,1,0|1,0,0]=3 185 B12R1.107 C\C(=C/C(=O)O)C1=CC=CC=C1 SBB052737 [1,0,0,0,1,0|1,0,1]=4 186 B12R1.107 NC(=O)CC(=O)C1=CC=CC=C1 SBB035909 [1,0,0,0,1,0|1,0,0]=3 187 B12R1.107 NC(=O)NC(=O)C1=CC=CC=C1 SBB057900 [1,0,0,0,1,0|2,0,0]=4 188 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 SBB001851 [1,0,0,0,1,0|1,0,1]=4 189 B12R1.107 O=C(C[N+](=O)[O-])C1=CC=CC=C1 SBB032958 [1,0,0,0,1,0|1,0,1]=4 190 B12R1.107 O=C(O)CC(Br)C1=CC=CC=C1 SBB008428 [1,0,0,0,1,0|1,0,1]=4 191 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 SBB063579 [1,0,0,0,1,0|0,0,2]=4 192 B12R1.125 CC(=O)\C=C\C1=C(O)C=CC=C1 SBB087612 [1,0,0,0,1,0|1,0,1]=4 193 B12R1.125 CC1=C(OCC(=O)O)C=CC=C1 SBB004532 [1,0,0,0,1,0|2,0,0]=4 194 B12R1.125 CC1=CC=CC=C1CCC(=O)O SBB067749 [1,0,0,0,1,0|1,0,0]=3 195 B12R1.125 CC1=CC=CC=C1NCC(=O)O SBB016671 [1,0,0,0,1,0|2,0,0]=4 196 B12R1.125 CC1=CC=CC=C1\C=C\C(=O)O SBB003946 [1,0,0,0,1,0|1,0,1]=4 197 B12R1.125 O=C(O)CCC1=CC=CC=C1Br SBB064066 [1,0,0,0,1,0|1,0,0]=3 198 B12R1.125 O=C(O)CCC1=CC=CC=C1Cl SBB069087 [1,0,0,0,1,0|1,0,0]=3 199 B12R1.125 O=C(O)CCC1=CC=CC=C1F SBB010203 [1,0,0,0,1,0|1,0,0]=3 200 B12R1.125 O=C(O)CCC1=CC=CC=C1O SBB063739 [1,0,0,0,1,0|0,0,0]=2 201 B12R1.125 O=C(O)CCN1C=CC=CC1=O SBB072181 [1,0,0,0,1,0|1,0,1]=4 202 B12R1.125 O=C(O)CNC1=CC=CC=C1Cl SBB063875 [1,0,0,0,1,0|2,0,0]=4 203 B12R1.125 O=C(O)COC1=C(O)C=CC=C1 SBB080750 [1,0,0,0,1,0|1,0,0]=3 204 B12R1.125 O=C(O)COC1=CC=CC=C1Br SBB038788 [1,0,0,0,1,0|2,0,0]=4 205 B12R1.125 O=C(O)COC1=CC=CC=C1Cl SBB004546 [1,0,0,0,1,0|2,0,0]=4 206 B12R1.125 O=C(O)COC1=CC=CC=C1F SBB007049 [1,0,0,0,1,0|2,0,0]=4 207 B12R1.125 O=C(O)\C=C\C1=C(Cl)C=CC=C1 SBB015306 [1,0,0,0,1,0|1,0,1]=4 208 B12R1.125 O=C(O)\C=C\C1=C(F)C=CC=C1 SBB061928 [1,0,0,0,1,0|1,0,1]=4 209 B12R1.125 O=C(O)\C=C\C1=C(O)C=CC=C1 SBB065726 [1,0,0,0,1,0|0,0,1]=3 210 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1Br SBB050858 [1,0,0,0,1,0|1,0,1]=4 211 B12R1.124 CC1=CC=CC=C1C(=O)C(=O)O SBB063460 [0,0,0,0,2,0|1,0,0]=3 212 B14R1.420 O=C(O)CCCC(=O)C1=CC=CC=C1 SBB007811 [1,0,0,0,0,1|0,0,0]=2 213 B14R1.420 O=C(O)CCNC(=O)C1=CC=CC=C1 SBB050152 [1,0,0,0,0,1|0,0,0]=2 214 B14R1.420 O=C(O)CSCC(=O)C1=CC=CC=C1 SBB000496 [1,0,0,0,0,1|0,0,0]=2 215 B14R1.159 CC1=C(OCCCC(=O)O)C=CC=C1 SBB015479 [1,0,0,0,0,1|1,0,1]=4 216 B14R1.159 O=C(O)CCCOC1=CC=CC=C1F SBB027242 [1,0,0,0,0,1|1,0,1]=4 217 B16R1.400 CC1=C(OCC(=O)NCC(=O)O)C=CC=C1 SBB043575 [0,0,0,0,0,2|2,0,0]=4 218 B16R1.400 O=C(O)CCC(=O)NCC1=C(Cl)C=CC=C1 SBB080191 [0,0,0,0,0,2|1,0,0]=3 219 B16R1.7414 NC1=NC=CC=C1NC(=O)CCCC(=O)O SBB013242 [0,0,0,0,0,2|2,0,0]=4 220 B16R1.7414 O=C(O)CCCC(=O)NC1=CC=CC=C1O SBB046358 [0,0,0,0,0,2|0,0,0]=2 221 B16R1.7414 O=C(O)COCC(=O)NC1=CC=CC=C1O SBB046359 [0,0,0,0,0,2|0,0,0]=2 222 B16R1.7414 O=C(O)CSCC(=O)NC1=C(Cl)C=CC=C1 SBB102230 [0,0,0,0,0,2|1,0,0]=3 223 B16R1.10817 O=C(O)CCCNC(=O)C1=C(Cl)N=CC=C1 SBB028013 [0,0,0,0,0,2|2,0,0]=4