0 B13R2.12159 CC1(c2ccccc2C(=O)N1)C PB38777 [0,0,0,0,0,0|3,0,0]=3 1 B13R2.12159 CC1(c2ccccc2C(=O)O1)C AB04969 [0,0,0,0,0,0|4,0,0]=4 2 B13R2.12159 c1ccc2c(c1)C(=O)OI2(=O)O AB12727 [0,0,0,0,0,0|2,0,1]=3 3 B12R2.2028 c1cc2c(nc1)C(=O)NC2=O AB01342 [1,0,0,0,0,0|2,0,0]=3 4 B12R2.2028 c1cc2c(nc1)C(=O)OC2=O PB28943 [1,0,0,0,0,0|3,0,0]=4 5 B12R2.2028 c1ccc2c(c1)C(CC2=O)Br MB07683 [1,0,0,0,0,0|3,0,0]=4 6 B12R2.2028 c1ccc2c(c1)C(CC2=O)N AB50544 [1,0,0,0,0,0|3,0,0]=4 7 B12R2.2028 c1cncc2c1C(=O)OC2=O PB17052 [1,0,0,0,0,0|3,0,0]=4 8 B14R2.4643 CC1(c2ccc(cc2C(=O)N1)Br)C PB38727 [0,1,0,0,0,0|3,0,0]=4 9 B14R2.4643 CC1(c2ccc(cc2C(=O)N1)N)C PB13962 [0,1,0,0,0,0|3,0,0]=4 10 B14R2.8052 c1cc(c2c(c1)S(=O)(=O)NC2=O)O MB02181 [0,1,0,0,0,0|0,0,0]=1 11 B14R2.8732 CC1(c2cc(ccc2C(=O)N1)O)C PB37506 [0,1,0,0,0,0|3,0,0]=4 12 B12R1.76 CS(=O)(=O)c1ccccc1CCl AB49692 [0,0,1,0,0,0|2,0,1]=4 13 B12R1.76 CS(=O)(=O)c1ccccc1CN AB43695 [0,0,1,0,0,0|2,0,1]=4 14 B12R1.76 c1ccc(c(c1)C=O)S(=O)(=O)Cl AB60361 [0,0,1,0,0,0|1,0,0]=2 15 B12R1.76 c1ccc(c(c1)C=O)S(=O)(=O)N AB16512 [0,0,1,0,0,0|0,0,0]=1 16 B12R1.261 B(c1ccccc1C(=O)N)(O)O AB11162 [0,0,1,0,0,0|1,0,2]=4 17 B14R2.29496 CC1(NC(=O)c2ccccc2O1)C AB07062 [0,0,0,0,0,1|3,0,0]=4 18 B14R2.29496 c1ccc2c(c1)CS(=O)(=O)CC2=O MB69200 [0,0,0,0,0,1|1,0,0]=2 19 B14R2.29496 c1ccc2c(c1)CS(=O)(=O)CC2N MB06718 [0,0,0,0,0,1|2,0,1]=4 20 B11R1.87 c1cc(c(nc1)S(=O)(=O)N)O MB25486 [1,0,1,0,0,0|1,0,1]=4 21 B11R1.87 c1ccc(c(c1)O)S(=O)(=O)N MB25652 [1,0,1,0,0,0|0,0,1]=3 22 B11R1.87 c1ccc(c(c1)S(=O)(=O)Cl)Br AB02159 [1,0,1,0,0,0|2,0,0]=4 23 B11R1.87 c1ccc(c(c1)S(=O)(=O)N)Br AB04351 [1,0,1,0,0,0|1,0,0]=3 24 B11R1.87 c1cncc(c1O)S(=O)(=O)N MB07941 [1,0,1,0,0,0|1,0,1]=4 25 B11R1.87 c1cncc(c1S(=O)(=O)N)O MB32182 [1,0,1,0,0,0|1,0,1]=4 26 B11R2.1 c1ccc2c(c1)C(=O)CO2 AB02144 [2,0,0,0,0,0|1,1,0]=4 27 B11R2.1 c1ccc2c(c1)C(=O)N=N2 MB00163 [2,0,0,0,0,0|1,0,1]=4 28 B11R2.1 c1ccc2c(c1)CNC2=O AB13096 [2,0,0,0,0,0|1,0,0]=3 29 B11R2.1 c1cncc2c1C(=O)NC2 AB66595 [2,0,0,0,0,0|2,0,0]=4 30 B11R2.1 c1cncc2c1CNC2=O PB33122 [2,0,0,0,0,0|2,0,0]=4 31 B13R1.29 CCNS(=O)(=O)c1ccc(cc1)Br AB08383 [0,1,1,0,0,0|1,0,1]=4 32 B13R1.30 CCNS(=O)(=O)c1cccc(c1)Br AB30831 [0,1,1,0,0,0|1,0,1]=4 33 B13R1.30 CCNS(=O)(=O)c1cccc(c1)N AB30827 [0,1,1,0,0,0|1,0,1]=4 34 B13R1.53 CCc1cc(ccc1S(=O)(=O)N)O MB23767 [0,1,1,0,0,0|1,0,1]=4 35 B13R1.53 CNc1cc(ccc1S(=O)(=O)N)O MB34289 [0,1,1,0,0,0|2,0,0]=4 36 B13R1.53 COc1cc(ccc1S(=O)(=O)N)O MB38664 [0,1,1,0,0,0|2,0,0]=4 37 B13R1.53 CSc1cc(ccc1S(=O)(=O)N)O MB26327 [0,1,1,0,0,0|2,0,0]=4 38 B13R1.53 c1cc(c(cc1O)C=O)S(=O)(=O)N MB28282 [0,1,1,0,0,0|0,0,0]=2 39 B13R1.53 c1cc(c(cc1O)CN)S(=O)(=O)N MB28278 [0,1,1,0,0,0|1,0,1]=4 40 B13R1.108 CCc1c(cccc1S(=O)(=O)N)O MB23609 [0,1,1,0,0,0|1,0,1]=4 41 B13R1.108 CNc1c(cccc1S(=O)(=O)N)O MB36929 [0,1,1,0,0,0|2,0,0]=4 42 B13R1.108 COc1c(cccc1S(=O)(=O)N)O MB34226 [0,1,1,0,0,0|2,0,0]=4 43 B13R1.108 CSc1c(cccc1S(=O)(=O)N)O MB29830 [0,1,1,0,0,0|2,0,0]=4 44 B13R1.108 c1cc(c(c(c1)S(=O)(=O)N)C#N)O MB35517 [0,1,1,0,0,0|1,0,1]=4 45 B13R1.108 c1cc(c(c(c1)S(=O)(=O)N)C=O)O MB35164 [0,1,1,0,0,0|0,0,0]=2 46 B13R1.2136 CCc1cccc(c1S(=O)(=O)N)O MB24073 [0,1,1,0,0,0|1,0,1]=4 47 B13R1.2136 CNc1cccc(c1S(=O)(=O)N)O MB34523 [0,1,1,0,0,0|2,0,0]=4 48 B13R1.2136 COc1cccc(c1S(=O)(=O)N)O MB28036 [0,1,1,0,0,0|2,0,0]=4 49 B13R1.2136 c1cc(c(c(c1)O)S(=O)(=O)N)C#N MB34301 [0,1,1,0,0,0|1,0,1]=4 50 B13R1.2136 c1cc(c(c(c1)O)S(=O)(=O)N)C=O MB35563 [0,1,1,0,0,0|0,0,0]=2 51 B13R1.3090 CCc1ccc(cc1S(=O)(=O)N)O MB23962 [0,1,1,0,0,0|1,0,1]=4 52 B13R1.3090 COc1ccc(cc1S(=O)(=O)N)O MB26194 [0,1,1,0,0,0|2,0,0]=4 53 B13R1.3090 CSc1ccc(cc1S(=O)(=O)N)O MB35182 [0,1,1,0,0,0|2,0,0]=4 54 B13R1.3090 c1cc(c(cc1O)S(=O)(=O)N)C#N MB36969 [0,1,1,0,0,0|1,0,1]=4 55 B13R1.3090 c1cc(c(cc1O)S(=O)(=O)N)C=O MB27964 [0,1,1,0,0,0|0,0,0]=2 56 B13R1.3090 c1cc(c(cc1O)S(=O)(=O)N)CN MB35983 [0,1,1,0,0,0|1,0,1]=4 57 B13R1.165 c1cc(c(cc1O)C(=O)N)C(=O)N MB32379 [0,1,1,0,0,0|2,0,0]=4 58 B13R1.165 c1cc(c(cc1O)C(=O)N)C(=O)O MB31234 [0,1,1,0,0,0|1,0,1]=4 59 B13R1.165 c1cc(c(cc1O)C(=O)O)C(=O)N MB29839 [0,1,1,0,0,0|1,0,1]=4 60 B13R1.295 Cc1cccc(c1[N+](=O)[O-])C(=O)N MB01360 [0,1,1,0,0,0|1,0,1]=4 61 B13R1.295 c1cc(c(c(c1)O)C(=O)N)C(=O)N MB26972 [0,1,1,0,0,0|2,0,0]=4 62 B13R1.295 c1cc(c(c(c1)O)C(=O)N)C(=O)O MB38817 [0,1,1,0,0,0|1,0,1]=4 63 B13R1.295 c1cc(c(c(c1)O)C(=O)O)C(=O)N MB28252 [0,1,1,0,0,0|1,0,1]=4 64 B13R2.3085 c1ccc2c(c1)C(=O)N(C2=O)O AB00534 [1,1,0,0,0,0|1,0,0]=3 65 B13R2.4857 c1cc2c(c(c1)N)C(NC2=O)O AB63853 [1,1,0,0,0,0|1,0,1]=4 66 B13R2.5187 c1cc2c(cc1Br)C(=O)NC2=O PB30646 [1,1,0,0,0,0|1,0,0]=3 67 B13R2.5187 c1cc2c(cc1Br)C(=O)OC2=O PB33839 [1,1,0,0,0,0|2,0,0]=4 68 B13R2.5187 c1cc2c(cc1Br)C(NC2=O)O AB50380 [1,1,0,0,0,0|1,0,1]=4 69 B13R2.328 c1ccc2c(c1)CC(=O)NC2=O AB05280 [0,0,1,1,0,0|2,0,0]=4