0 B12R1.107 CC(=O)CC(=O)C1=CN=CC=C1 CS-0308399 [0,0,0,0,0,0|3,0,1]=4 1 B12R1.107 CC(C)C[C@@H](N)C1=CC=CC=C1 CS-0154320 [0,0,0,0,0,0|2,0,1]=3 2 B11R1.16 CCC[C@@H](N)C1=CC=CC=C1 CS-0454208 [1,0,0,0,0,0|2,0,1]=4 3 B11R1.16 C\C=C\C(=O)C1=CC=CC=C1 CS-0999046 [1,0,0,0,0,0|1,0,1]=3 4 B11R1.16 O=C(NCO)C1=CC=CN=C1 CS-0066962 [1,0,0,0,0,0|3,0,0]=4 5 B13R1.132 CC(C)C[C@H](N)C1=CC=C(Br)C=C1 CS-0697726 [0,1,0,0,0,0|2,0,1]=4 6 B13R1.352 CC(C)(C)OC(=O)C1=CC=CC=C1 CS-0154844 [0,1,0,0,0,0|0,0,0]=1 7 B13R2.12159 O=C1OS(=O)(=O)C2=CC=CC=C12 CS-0066044 [0,0,0,1,0,0|3,0,0]=4 8 B11R1.36 CC(C)[C@H](N)C1=NC=CC=C1 CS-0120118 [0,0,0,0,1,0|2,0,1]=4 9 B11R1.36 CN(N)C(=S)C1=CC=CC=C1 CS-0897241 [0,0,0,0,1,0|2,1,0]=4 10 B11R1.36 C[C@H](O)[C@H](N)C1=CC=CC=C1 CS-0745167 [0,0,0,0,1,0|2,0,1]=4 11 B11R1.36 O=S(C1=CC=CC=C1)C(Cl)Cl CS-0879747 [0,0,0,0,1,0|3,0,0]=4 12 B13R1.45 CC(C)COC(=O)C1=CC=CC=C1 CS-0187444 [0,0,0,0,0,1|0,0,0]=1 13 B13R1.45 CN(C)CCC(=O)C1=CC=CC=C1 CS-0001978 [0,0,0,0,0,1|2,0,0]=3 14 B13R1.45 CN(C)\C=C\C(=O)C1=CC=CC=C1 CS-0094475 [0,0,0,0,0,1|2,0,0]=3 15 B10R1.15 C#CC(=O)C1=CC=CC=C1 CS-0072550 [2,0,0,0,0,0|0,0,2]=4 16 B10R1.15 CCC(=O)C1=CN=CC=C1 CS-W013351 [2,0,0,0,0,0|1,0,0]=3 17 B10R1.15 CCC(O)C1=CC=CC=C1 CS-W013334 [2,0,0,0,0,0|0,0,2]=4 18 B12R1.16 CCCC(=O)C1=CC=C(O)C=C1 CS-0034666 [1,1,0,0,0,0|1,0,0]=3 19 B12R1.17 CCOC(=O)C1=CC(=O)N=CN1 CS-M1611 [1,1,0,0,0,0|2,0,0]=4 20 B12R1.30 CCOCC(N)C1=CC=CC=C1 CS-0069368 [1,1,0,0,0,0|1,0,1]=4 21 B12R1.308 CCOC(=O)C1=C(C)C=CN=C1 CS-0138074 [1,1,0,0,0,0|1,0,0]=3 22 B12R1.308 CCOC(=O)C1=CC=NC=C1Cl CS-0042812 [1,1,0,0,0,0|1,0,0]=3 23 B12R1.308 O=C(CCCl)C1=CC=CC=C1F CS-0045341 [1,1,0,0,0,0|2,0,0]=4 24 B12R1.20 CC(Br)C(=O)C1=CC=C(O)C=C1 CS-0105639 [0,1,0,0,1,0|1,0,0]=3 25 B12R1.20 CC(C)C(=O)C1=CC=C(F)C=C1 CS-0131584 [0,1,0,0,1,0|0,0,0]=2 26 B12R1.20 CC(C)C(N)C1=CC=C(Br)C=C1 CS-0597713 [0,1,0,0,1,0|1,0,1]=4 27 B12R1.20 CC(C)C(N)C1=CC=C(Br)C=C1 CS-0613491 [0,1,0,0,1,0|1,0,1]=4 28 B12R1.20 CC(C)[C@H](N)C1=CC=C(F)C=C1 CS-0199694 [0,1,0,0,1,0|1,0,1]=4 29 B12R1.20 CC(Cl)C(=O)C1=CC=C(Br)C=C1 CS-0220226 [0,1,0,0,1,0|1,0,0]=3 30 B12R1.20 O=C(C1=CC=C(Br)C=C1)C(F)F CS-0215913 [0,1,0,0,1,0|2,0,0]=4 31 B12R1.124 CN(C)C(=O)C1=CC=CC=C1Br CS-0151348 [0,1,0,0,1,0|1,0,0]=3 32 B12R1.124 O=C(C1=CC=CC=C1Cl)C(F)F CS-0524774 [0,1,0,0,1,0|2,0,0]=4 33 B12R1.225 CC(C)C(N)C1=CC(Cl)=CC=C1 CS-0902669 [0,1,0,0,1,0|1,0,1]=4 34 B12R1.564 [2H]C([2H])([2H])C(=O)C1=CC=CC=C1 CS-0567637 [0,1,0,0,1,0|2,0,0]=4 35 B12R1.265 CC(C)(C)OC(=O)C1=CNC=C1 CS-0436357 [0,1,0,0,1,0|1,0,0]=3 36 B14R1.163 O=C(OCC(O)CO)C1=CC=CC=C1 CS-0156546 [0,1,0,0,0,1|1,0,0]=3 37 B14R1.2 COC1=CC=C(C(=O)C=C(C)C)C=C1 CS-1184911 [0,2,0,0,0,0|1,0,1]=4 38 B14R1.683 CC(C)(C)NC(=O)C1=CN=C(Cl)C=C1 CS-0097451 [0,2,0,0,0,0|2,0,0]=4 39 B14R1.683 CC(C)(C)OC(=O)C1=CNC(=O)C=N1 CS-0037108 [0,2,0,0,0,0|2,0,0]=4 40 B14R1.683 CC(C)(C)OC(=O)C1=NN=C(Cl)C=C1 CS-0328928 [0,2,0,0,0,0|2,0,0]=4 41 B14R1.685 CN(C)CC(=O)C1=CC=C(O)C(O)=C1 CS-0222954 [0,2,0,0,0,0|2,0,0]=4 42 B14R1.1020 CC(C)OC(CBr)C1=CC=CC(Cl)=C1 CS-0299773 [0,2,0,0,0,0|1,0,1]=4 43 B14R1.6052 CC(C)NC(=O)C1=CC(N)=CC=C1F CS-0293663 [0,2,0,0,0,0|1,0,0]=3 44 B14R1.4451 CC(C)(C)OC(=O)C1=NC=CC=C1Br CS-0041373 [0,2,0,0,0,0|1,0,0]=3 45 B12R2.1081 O=C1CCCC2=C1C=NC=C2 CS-W022438 [1,0,0,1,0,0|2,0,0]=4 46 B12R2.1081 S=C1NCCC2=C1C=CC=C2 CS-0261447 [1,0,0,1,0,0|1,1,0]=4 47 B12R2.2028 CC1NC(=O)C2=CC=CC=C21 CS-0058508 [1,0,0,1,0,0|1,0,0]=3 48 B12R2.18 CC1CC2=C(C=CC=C2)C1N CS-0260386 [0,0,0,1,1,0|1,0,1]=4 49 B12R2.246 CC1CC(=O)C2=C(C1)NC=C2 CS-0609551 [0,0,0,1,1,0|2,0,0]=4 50 B12R2.246 CC1CC(=O)C2=C(C1)OC=C2 CS-0609552 [0,0,0,1,1,0|2,0,0]=4 51 B14R2.29285 CC1(C)CNC(=O)C2=CC=CC=C21 CS-0072986 [0,0,0,1,0,1|1,0,0]=3 52 B14R2.933 O=C(NC1CC1)C2=CC=C(I)C=C2 CS-0209879 [0,1,0,1,0,0|1,0,0]=3 53 B14R2.4643 CC1(C)CC(=O)C2=C1C=CC(Br)=C2 CS-0311682 [0,1,0,1,0,0|1,0,0]=3 54 B14R2.4643 CC1(C)OB(O)C2=CC(N)=CC=C21 CS-0079998 [0,1,0,1,0,0|1,0,1]=4 55 B14R2.8235 O=C1CC2=CC=C(F)C=C2C(=O)O1 CS-0140394 [0,1,0,1,0,0|1,0,1]=4 56 B14R2.4633 O=C(NC1CC1)C2=C(F)N=CC=C2 CS-0191665 [0,1,0,1,0,0|2,0,0]=4 57 B14R2.29496 CC1(C)CC(=O)C2=CC=CC=C2O1 CS-W000530 [0,1,0,1,0,0|1,0,0]=3 58 B12R1.252 CC(Br)COCC1=CC=CC=C1 CS-0753941 [1,0,0,0,0,1|1,0,1]=4 59 B12R1.54 CC(C)\C=C\C(=O)C1=COC=C1 CS-0434165 [0,0,0,0,1,1|2,0,0]=4