0 B18R2.560932 CN(C)C1=CC=CC2=C(C=CC=C12)S(=O)(=O)Cl MCULE-9618685755 [0,0,0,0,0,0|1,0,0]=1 1 B18R2.560932 CN(C)C1=CC=CC2=C(C=CC=C12)S(=O)(=O)F MCULE-7376089394 [0,0,0,0,0,0|1,0,0]=1 2 B18R2.560932 CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)N MCULE-1746506276 [0,0,0,0,0,0|1,0,0]=1 3 B18R2.560932 CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)O MCULE-2606823477 [0,0,0,0,0,0|0,0,0]=0 4 B18R2.560932 O=N(=O)C1=CC=CC2=C(C=CC=C12)S(=O)(=O)O MCULE-9498110047 [0,0,0,0,0,0|2,0,1]=3 5 B17R2.63359 CNC1=CC=CC2=C(C=CC=C12)S(=O)(=O)Cl MCULE-7942796295 [1,0,0,0,0,0|1,0,0]=2 6 B17R2.63359 COC1=C2C=CC=C(C2=CC=C1)S(=O)(=O)Cl MCULE-1151484411 [1,0,0,0,0,0|2,0,0]=3 7 B17R2.63359 COC1=CC=CC2=C(C=CC=C12)S(=O)(=O)N MCULE-2338940041 [1,0,0,0,0,0|2,0,0]=3 8 B17R2.63359 NCC1=CC=CC2=C(C=CC=C12)S(=O)(=O)O MCULE-8551412097 [1,0,0,0,0,0|2,0,0]=3 9 B17R2.292287 CN(C)C1=C2C=CC=C(C2=CC=C1)B(O)O MCULE-5738355053 [1,0,0,0,0,0|1,0,1]=3 10 B19R2.855091 CN(C)C1=CC=CC2=C(C=CC=C12)S(=O)(=O)NN MCULE-2613287155 [0,1,0,0,0,0|1,0,0]=2 11 B19R2.1329181 COC(=O)C1=C2C=CC=C(C2=CC=C1)S(=O)(=O)Cl MCULE-7606355094 [0,1,0,0,0,0|3,0,0]=4 12 B19R2.3458765 O=S(=O)(O)C1=CC=CC2=C(C=CC=C12)S(=O)(=O)O MCULE-2679795323 [0,1,0,0,0,0|3,0,0]=4 13 B19R2.3458765 O=S(=O)(O)C1=CC=CC2=C(C=CC=C12)S(=O)(=O)O MCULE-8706453666 [0,1,0,0,0,0|3,0,0]=4 14 B19R2.3458765 O=S(=O)(O)C1=CC=CC2=C(C=CC=C12)S(=O)(=O)O MCULE-9163528685 [0,1,0,0,0,0|3,0,0]=4 15 B19R2.3458765 O=S(=O)(O)C1=CC=CC2=C1C=CC=C2S(=O)(=O)O MCULE-6174843755 [0,1,0,0,0,0|3,0,0]=4 16 B19R3.2985924 O=C1NC2=CC=C(C3=CC=CC1=C23)S(=O)(=O)O MCULE-8847402279 [0,0,0,1,0,0|3,0,0]=4 17 B19R3.2985924 O=C1SC2=CC=C(C3=CC=CC1=C23)S(=O)(=O)O MCULE-7946173811 [0,0,0,1,0,0|3,0,0]=4 18 B19R2.1015967 CC(=O)NC1=C2C=CC=C(C2=CC=C1)S(=O)(=O)N MCULE-4986481966 [0,0,0,0,0,1|3,0,0]=4 19 B19R2.1015967 CC(=O)NC1=CC=CC2=C1C=CC=C2S(=O)(=O)Cl MCULE-6873925540 [0,0,0,0,0,1|3,0,0]=4 20 B16R2.22886 CC1=C2C=CC=C(C2=NC=C1)S(=O)(=O)Cl MCULE-2417185358 [2,0,0,0,0,0|2,0,0]=4 21 B16R2.22886 CC1=C2C=CC=C(C2=NC=C1)S(=O)(=O)N MCULE-5717197480 [2,0,0,0,0,0|2,0,0]=4 22 B16R2.22886 CC1=CN=CC2=C1C=CC=C2S(=O)(=O)Cl MCULE-6309780053 [2,0,0,0,0,0|2,0,0]=4 23 B16R2.22886 NC1=C2C=CC=C(C2=CC=C1)S(=O)(=O)O MCULE-2813385047 [2,0,0,0,0,0|0,0,0]=2 24 B16R2.22886 NC1=CC=CC2=C(C=CC=C12)S(=O)(=O)Cl MCULE-5857426941 [2,0,0,0,0,0|1,0,0]=3 25 B16R2.22886 NC1=CC=CC2=C(C=CC=C12)S(=O)(=O)N MCULE-2837642051 [2,0,0,0,0,0|1,0,0]=3 26 B16R2.22886 O=S(=O)(Cl)C1=C2C=CC=C(C2=CC=C1)I MCULE-2752719411 [2,0,0,0,0,0|2,0,0]=4 27 B16R2.22886 O=S(=O)(Cl)C1=CC=CC2=C1C=CC=C2Cl MCULE-3290976463 [2,0,0,0,0,0|2,0,0]=4 28 B16R2.22886 O=S(=O)(O)C1=CC=CC2=C1C=CC=C2O MCULE-7506140659 [2,0,0,0,0,0|1,0,0]=3 29 B16R2.22886 O=S(=O)(O)C1=CC=CC2=C1C=CN=C2Cl MCULE-4089401762 [2,0,0,0,0,0|2,0,0]=4 30 B16R2.22886 O=S(=O)([O-])C1=C2C=CC=C(C2=CC=C1)O MCULE-2194072959 [2,0,0,0,0,0|1,0,1]=4 31 B16R2.36827 COC1=CC=CC2=C1C=CC=C2C(=O)O MCULE-2361312239 [2,0,0,0,0,0|2,0,0]=4 32 B18R2.52046 CCNC1=CC=CC2=C(C=CC=C12)S(=O)(=O)Cl MCULE-1971493074 [1,1,0,0,0,0|1,0,0]=3 33 B18R2.52046 O=CNC1=CC=CC2=C(C=CC=C12)S(=O)(=O)Cl MCULE-8774125658 [1,1,0,0,0,0|1,0,1]=4 34 B18R2.105459 NCC1=CC=CC2=C(C(=CC=C12)N)S(=O)(=O)O MCULE-1838992208 [1,1,0,0,0,0|2,0,0]=4 35 B18R2.312134 CC(=C1C(=O)NC2=C(C=CC=C12)S(=O)(=O)O)C MCULE-1890615926 [0,1,0,0,1,0|2,0,0]=4 36 B20R2.4938990 CN(C)C1=CC=CC2=C(C=CC=C12)S(=O)(=O)NC#N MCULE-2066315236 [0,2,0,0,0,0|1,0,0]=3 37 B20R2.722106 CCN(CC)C1=CC=CC2=C(C=CC=C12)S(=O)(=O)Cl MCULE-6656880909 [0,2,0,0,0,0|1,0,0]=3 38 B18R2.7115 CN(C)C1=CC=CC(=C1)N2C=CC=CS2(=O)=O MCULE-2390003222 [0,0,1,1,0,0|2,0,0]=4 39 B18R2.71743 CN(C)C1=CC2=CC=C(C=C2C=C1)S(=O)(=O)O MCULE-7361616667 [0,0,1,1,0,0|0,0,0]=2 40 B18R3.237717 O=S(=O)(Cl)C1=C2C=CC=C3C2=C(CC3)C=C1 MCULE-9067785217 [1,0,0,1,0,0|2,0,0]=4 41 B18R3.237717 O=S(=O)(O)C1=CC=C2CCC3=CC=CC1=C23 MCULE-9875998020 [1,0,0,1,0,0|1,0,0]=3 42 B18R3.237717 O=S(=O)([O-])C1=CC=C2CCC3=C2C1=CC=C3 MCULE-9355826082 [1,0,0,1,0,0|1,0,1]=4