0 B14R1.160 Nc1ccccc1C(=O)NCC(=O)O MC436011 [0,0,0,0,0,0|2,0,0]=2 1 B13R1.45 CC(O)CCC(=O)C1=CC=CC=C1 CS14046 [1,0,0,0,0,0|1,0,1]=3 2 B13R1.45 CN(C)CCC(=O)C1=CC=CC=C1 MC31215 [1,0,0,0,0,0|3,0,0]=4 3 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=C1 CS22116 [1,0,0,0,0,0|0,0,0]=1 4 B13R1.45 O=C(O)CNC(=O)C1=CC=CC=C1 MC439497 [1,0,0,0,0,0|1,0,0]=2 5 B13R1.45 O=C(O)CNC(=O)c1ccccc1 MC34005 [1,0,0,0,0,0|1,0,0]=2 6 B15R1.124 O=C(O)CCC(=O)C1=C(Br)C(F)=CC=C1 MC429655 [0,1,0,0,0,0|1,0,0]=2 7 B15R1.5793 NC1=C(C(=O)CC(N)C(=O)O)C=CC=C1 MC435303 [0,1,0,0,0,0|1,0,0]=2 8 B15R1.5793 Nc1ccccc1C(=O)CC(N)C(=O)O MC115193 [0,1,0,0,0,0|1,0,0]=2 9 B15R2.6 O=C(O)CCC1=CNC2=CC=CC=C12 MC10291 [0,0,0,1,0,0|2,0,0]=3 10 B15R2.6 O=C(O)CCC1=CNC2=NC=CC=C12 MC100074 [0,0,0,1,0,0|3,0,0]=4 11 B15R2.6 O=C(O)CCC1=NNC2=NC=CC=C12 MC110817 [0,0,0,1,0,0|3,0,0]=4 12 B15R2.14951 O=C(O)C1=CC(=O)C2=CC=CC=C2O1 CS10056 [0,0,0,1,0,0|0,0,2]=3 13 B13R1.201 CC1=C(C(N)CC(=O)O)C=CC=C1 CS20342 [0,0,0,0,1,0|2,0,1]=4 14 B13R1.201 NC(CC(=O)O)C1=C(F)C=CC=C1 MC429426 [0,0,0,0,1,0|2,0,1]=4 15 B15R1.8019 O=C(O)CCNC(=O)C1=C(Br)C=CC=C1 MC112564 [0,0,0,0,0,1|1,0,0]=2 16 B12R1.252 O=C(O)CCCC1=NC=CC=C1 CS12802 [2,0,0,0,0,0|1,0,1]=4 17 B12R1.252 O=C(O)CCOC1=CC=CC=C1 MC40204 [2,0,0,0,0,0|1,0,0]=3 18 B12R1.252 O=C(O)CNCC1=CC=CC=C1 CS21182 [2,0,0,0,0,0|1,0,1]=4 19 B12R1.252 O=C(O)COCC1=CC=CC=C1 CS14115 [2,0,0,0,0,0|1,0,1]=4 20 B12R1.308 CCCC(=O)C1=C(N)C=CC=C1 MC430441 [2,0,0,0,0,0|1,0,1]=4 21 B12R1.308 CCOC(=O)C1=CC=CC=C1O MC34575 [2,0,0,0,0,0|1,0,1]=4 22 B12R1.308 O=C(CCCl)C1=C(Cl)C=CC=C1 MC429389 [2,0,0,0,0,0|2,0,0]=4 23 B14R1.415 CC(NC(=O)C1=CC=CC=C1)C(=O)O MC428110 [1,1,0,0,0,0|1,0,0]=3 24 B14R1.415 CC(NC(=O)c1ccccc1)C(=O)O MC436792 [1,1,0,0,0,0|1,0,0]=3 25 B14R1.415 CC(NC(=O)c1ccccc1)C(=O)O MC436793 [1,1,0,0,0,0|1,0,0]=3 26 B14R1.415 NC(CC(=O)C1=CC=CC=C1)C(=O)O CS17941 [1,1,0,0,0,0|0,0,0]=2 27 B14R1.678 CC1=CC=C(C(=O)CCC(=O)O)C=C1 MC442744 [1,1,0,0,0,0|0,0,0]=2 28 B14R1.678 NC1=CC=C(C(=O)NCC(=O)O)C=C1 MC443883 [1,1,0,0,0,0|1,0,0]=3 29 B14R1.678 O=C(O)CCC(=O)C1=CC=C(Br)C=C1 MC425748 [1,1,0,0,0,0|0,0,0]=2 30 B14R1.678 O=C(O)CCC(=O)C1=CC=C(F)C=C1 CS10065 [1,1,0,0,0,0|0,0,0]=2 31 B14R1.678 O=C(O)CNC(=O)C1=CC=C(O)C=C1 MC437767 [1,1,0,0,0,0|1,0,0]=3 32 B14R1.813 O=C(O)CCP(=O)(O)C1=CC=CC=C1 MC20680 [1,1,0,0,0,0|1,0,0]=3 33 B14R1.154 O=C(O)CCCC1=C(Br)C(F)=CC=C1 MC429654 [1,1,0,0,0,0|1,0,1]=4 34 B14R1.161 NC(CCC1=C(O)C=CC=C1)C(=O)O MC443558 [1,1,0,0,0,0|0,0,1]=3 35 B14R1.2523 CCCCC(=O)C1=C(O)C=C(C)C=C1 MC41287 [1,1,0,0,0,0|1,0,1]=4 36 B16R1.11390 O=C(O)CCC(=O)NC1=C(F)C=C(F)C=C1 MC120632 [0,1,0,0,0,1|1,0,0]=3 37 B14R1.4526 O=C(O)CNC(=O)\C=C\c1ccco1 MC437004 [0,0,1,1,0,0|1,0,0]=3 38 B14R1.4522 O=C(O)CCC1=C(C(=O)O)C=CC=C1 MC445728 [0,0,1,1,0,0|2,0,0]=4 39 B14R2.287 O=C1CCC(=O)C2=C(C=CC=C2)N1 MC104102 [1,0,0,1,0,0|1,0,0]=3 40 B14R2.9520 O=C(O)C1CC1(F)C2=CC=CC=C2 MC425304 [1,0,0,1,0,0|1,0,1]=4 41 B14R2.25733 CC(=O)N1CC(=O)C2=CC=CC=C21 CS20587 [1,0,0,1,0,0|2,0,0]=4 42 B14R2.768 O=C(O)CC1=CC2=C(C=CC=C2)O1 CS21317 [1,0,0,1,0,0|0,0,1]=3 43 B14R2.768 O=C(O)CC1=CC2=CC=CC=C2N1 MC10334 [1,0,0,1,0,0|1,0,1]=4 44 B14R2.781 O=C(O)C1CNC2=CC=CC=C2C1 MC106685 [1,0,0,1,0,0|2,0,0]=4 45 B14R2.781 O=C(O)C1COC2=C(C=CC=C2)O1 CS14213 [1,0,0,1,0,0|1,0,0]=3 46 B14R2.781 O=C(O)C1COC2=C(C=CC=C2)O1 CS15696 [1,0,0,1,0,0|1,0,0]=3 47 B14R2.781 O=C(O)C1COC2=C(C=CC=C2)O1 CS15697 [1,0,0,1,0,0|1,0,0]=3 48 B14R2.8032 O=C(O)C1CCC2=C(O)C=CC=C21 MC110581 [1,0,0,1,0,0|0,0,1]=3 49 B14R2.2 O=C(O)CC1=CNC2=CC=CC=C12 CS11357 [0,0,0,1,1,0|2,0,0]=4 50 B14R2.2 O=C(O)CC1=COC2=C1C=CC=C2 CS11310 [0,0,0,1,1,0|1,0,0]=3 51 B14R2.450 CC1=C(C(=O)O)OC2=C1C=CC=C2 MC41799 [0,0,0,1,1,0|1,0,1]=4 52 B16R2.36 O=C(O)CCCC1=CNC2=CC=CC=C12 CS11669 [0,0,0,1,0,1|2,0,0]=4 53 B16R2.16183 O=C(O)CN1C(=O)C2=CC=CC=C2C1=O CS14499 [0,1,0,1,0,0|1,0,1]=4 54 B16R2.12 NC(CC1=CNC2=CC=CC=C12)C(=O)O MC428067 [0,1,0,1,0,0|2,0,0]=4 55 B16R2.12 NC(CC1=COC2=C1C=CC=C2)C(=O)O CS19627 [0,1,0,1,0,0|1,0,0]=3 56 B16R2.12 NC(Cc1csc2ccccc12)C(=O)O MC436290 [0,1,0,1,0,0|1,1,0]=4 57 B16R2.133406 O=C(O)C1=CC(=O)C2=CC=C(Cl)C=C2O1 CS12981 [0,1,0,1,0,0|0,0,2]=4 58 B16R2.23501 O=C1CC(C(=O)O)OC2=C1C=C(F)C=C2 MC21053 [0,1,0,1,0,0|0,0,0]=2 59 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 CS20784 [1,0,0,0,1,0|1,0,0]=3 60 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 MC42229 [1,0,0,0,1,0|1,0,1]=4 61 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 MC428246 [1,0,0,0,1,0|1,0,1]=4 62 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 CS22312 [1,0,0,0,1,0|0,0,2]=4 63 B12R1.107 O=C([O-])CC(=O)C1=CC=CC=C1 CS17400 [1,0,0,0,1,0|0,0,1]=3 64 B12R1.125 O=C(O)CCC1=C(Br)C=CC=C1 CS21656 [1,0,0,0,1,0|1,0,0]=3 65 B12R1.125 O=C(O)CCN1C=CC=CC1=O CS12670 [1,0,0,0,1,0|1,0,1]=4 66 B12R1.125 O=C(O)CNC1=C(F)C=CC=C1 MC106617 [1,0,0,0,1,0|2,0,0]=4 67 B12R1.125 O=C(O)CNc1ccccc1Cl MC439220 [1,0,0,0,1,0|2,0,0]=4 68 B12R1.125 O=C(O)\C=C\C1=C(Cl)C=CC=C1 CS10967 [1,0,0,0,1,0|1,0,1]=4 69 B12R1.124 NC1=C(C(=O)C(=O)[O-])C=CC=C1 MC427207 [0,0,0,0,2,0|1,0,1]=4 70 B12R1.124 O=C(Cl)C(=O)C1=C(Cl)C=CC=C1 MC105996 [0,0,0,0,2,0|2,0,0]=4 71 B12R1.124 O=C(O)C(=O)C1=C(Br)C=CC=C1 CS16464 [0,0,0,0,2,0|1,0,0]=3 72 B14R1.420 O=C(O)CCCC(=O)C1=CC=CC=C1 MC21009 [1,0,0,0,0,1|0,0,0]=2