0 B10R1.15 OC(CN)C1=CC=CN=C1 BCP11465 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.6 NC(C1=CC=CN=C1)=O BCP07322 [1,0,0,0,0,0|2,0,1]=4 2 B9R1.6 N[C](C)C1=CC=CC=C1 BCP13697 [1,0,0,0,0,0|1,0,1]=3 3 B9R1.6 O=C(O)C1=CN=CC=C1 BCP16301 [1,0,0,0,0,0|2,0,1]=4 4 B9R1.6 O[C](C)C1=NC=CC=C1 BCP18401 [1,0,0,0,0,0|1,0,2]=4 5 B9R1.8 BrCCC1=CC=CN=C1 BCP07727 [1,0,0,0,0,0|2,0,1]=4 6 B9R1.8 ONCC1=CC=CC=C1 BCP07876 [1,0,0,0,0,0|1,0,1]=3 7 B11R1.12 C(Cl)=C(CN)\C1=CC=CC=C1 BCP15920 [0,1,0,0,0,0|1,0,1]=3 8 B11R1.12 CCN(CC)C1=CC=CC=C1 BCP13080 [0,1,0,0,0,0|2,0,1]=4 9 B11R1.12 COC(OC)C1=CC=CC=C1 BCP19759 [0,1,0,0,0,0|2,0,0]=3 10 B11R1.16 C[C@@H](N=C=O)C1=CC=CC=C1 BCP08224 [0,1,0,0,0,0|0,0,1]=2 11 B11R1.16 C[C](N=C=O)C1=CC=CC=C1 BCP11253 [0,1,0,0,0,0|0,0,2]=3 12 B11R1.23 ClC1=CC([C@@H](CN)O)=CC=C1 BCP14172 [0,1,0,0,0,0|2,0,1]=4 13 B11R1.23 N[C@@H](CC)C1=CC=CC(Cl)=C1 BCP15556 [0,1,0,0,0,0|2,0,1]=4 14 B11R1.23 OC(CN)C1=CC=CC(O)=C1 BCP07813 [0,1,0,0,0,0|2,0,1]=4 15 B11R1.36 C1=C(C(C(O)=O)C)C=CC=C1 BCP16764 [0,1,0,0,0,0|0,0,0]=1 16 B11R1.36 C=C(C(O)=O)C1=CC=CC=C1 BCP01226 [0,1,0,0,0,0|0,0,2]=3 17 B11R1.36 C[C](c1ccccc1)C(=O)O BCP14307 [0,1,0,0,0,0|0,0,1]=2 18 B11R2.1 C1=C(C2=CC=CC=C2[NH]1)C BCP00912 [0,0,0,1,0,0|1,0,1]=3 19 B11R2.1 CN1C2=C(N=N1)C=CC=C2 BCP20547 [0,0,0,1,0,0|3,0,0]=4 20 B11R2.1 NC1CCC2=C1C=CC=C2 BCP04726 [0,0,0,1,0,0|2,0,1]=4 21 B11R2.1 N[C@@H]1C2=C(CC1)C=CC=C2 BCP15509 [0,0,0,1,0,0|2,0,1]=4 22 B11R2.1 N[C@@H]1CCC2=C1C=CC=C2 BCP14221 [0,0,0,1,0,0|2,0,1]=4 23 B11R1.40 OC[C@@H](N)CC1=CC=CC=C1 BCP17030 [0,0,0,0,0,1|1,0,2]=4 24 B8R1.2 C=CC1=CC=CN=C1 BCP12214 [2,0,0,0,0,0|1,0,1]=4 25 B8R1.2 NCC1=CC=CN=C1 BCP13872 [2,0,0,0,0,0|2,0,0]=4 26 B8R1.2 OCC1=CC=CN=C1 BCP20084 [2,0,0,0,0,0|1,0,1]=4 27 B8R1.2 [Na]SC1=CC=CC=C1 BCP14418 [2,0,0,0,0,0|2,0,0]=4 28 B10R1.13 C[C@@H](O)C1=CC=C(F)C=C1 BCP07421 [1,1,0,0,0,0|0,0,1]=3 29 B10R1.13 C[C](N)C1=CC=C(F)C=C1 BCP12200 [1,1,0,0,0,0|1,0,1]=4 30 B10R1.13 NC1=NC=C(C=C1)C(C)C BCP00188 [1,1,0,0,0,0|1,0,1]=4 31 B10R1.13 N[C@@H](C)C1=CC=C(Br)C=C1 BCP07969 [1,1,0,0,0,0|1,0,0]=3 32 B10R1.13 N[C](C)C1=CC=C(Br)C=C1 BCP09414 [1,1,0,0,0,0|1,0,1]=4 33 B10R1.13 N[C](C)C1=CC=C(Cl)C=C1 BCP09416 [1,1,0,0,0,0|1,0,1]=4 34 B10R1.13 N[C](C)C=1C=CC(=CC1)F BCP12199 [1,1,0,0,0,0|1,0,1]=4 35 B10R1.13 O=C(C)C1=CC=C(Cl)N=C1 BCP13928 [1,1,0,0,0,0|1,0,1]=4 36 B10R1.13 O=[N+](C1=CC=C(I)C=C1)[O-] BCP14439 [1,1,0,0,0,0|2,0,0]=4 37 B10R1.13 O=[N+]([O-])C1=CC=C(N)C=C1 BCP10655 [1,1,0,0,0,0|2,0,0]=4 38 B10R1.61 CC(=O)c1cccnc1Cl BCP10419 [1,1,0,0,0,0|1,0,1]=4 39 B10R1.61 CC(C1=C(O)C=NC=C1)=O BCP28934 [1,1,0,0,0,0|1,0,1]=4 40 B10R1.61 CN(C)C1=CC=CC=C1Br BCP05527 [1,1,0,0,0,0|1,0,1]=4 41 B10R1.61 C[C](N)C1=CC=CC=C1Br BCP20468 [1,1,0,0,0,0|1,0,1]=4 42 B10R1.61 FC1=C(C(C)O)N=CC=C1 BCP06886 [1,1,0,0,0,0|1,0,1]=4 43 B10R1.61 FC1=C([C@@H](O)C)C=CC=C1 BCP12488 [1,1,0,0,0,0|0,0,1]=3 44 B10R1.61 NC1=C([N+]([O-])=O)C=CC=C1 BCP05324 [1,1,0,0,0,0|2,0,0]=4 45 B10R1.61 O=C1C(C(C)=O)=CC=CN1 BCP28633 [1,1,0,0,0,0|1,0,1]=4 46 B10R1.61 OC1=C(C(O)=O)C=CC=C1 BCP09067 [1,1,0,0,0,0|1,0,1]=4 47 B10R1.113 CC(C1=CC(C)=NC=C1)=O BCP19218 [1,1,0,0,0,0|1,0,1]=4 48 B10R1.113 N[C@@H](C)C1=CC(Br)=CC=C1 BCP09419 [1,1,0,0,0,0|1,0,0]=3 49 B10R1.113 N[C@@H](C)C1=CC(F)=CC=C1 BCP09418 [1,1,0,0,0,0|1,0,0]=3 50 B10R1.113 N[C](C)C1=CC(F)=CC=C1 BCP09417 [1,1,0,0,0,0|1,0,1]=4 51 B10R1.113 O=C(C)C1=NC(C)=CC=C1 BCP06451 [1,1,0,0,0,0|1,0,1]=4 52 B10R1.113 O=C(C)C1=NC=CC(Cl)=C1 BCP06614 [1,1,0,0,0,0|1,0,1]=4 53 B10R1.113 O=[N+](C1=CC(F)=CC=C1)[O-] BCP16131 [1,1,0,0,0,0|2,0,0]=4 54 B10R1.113 O=[N+]([O-])C1=CC(Br)=CC=C1 BCP18660 [1,1,0,0,0,0|2,0,0]=4 55 B10R1.1 ClC1=CC=C(CCBr)C=C1 BCP09513 [1,1,0,0,0,0|1,0,1]=4 56 B10R1.1 FC1=CC=C(CCBr)C=C1 BCP15339 [1,1,0,0,0,0|1,0,1]=4 57 B10R1.18 C1=NC=CC=C1CC(O)=O BCP20278 [1,1,0,0,0,0|1,0,0]=3 58 B10R1.18 CC(=O)Cc1ccncc1 BCP13413 [1,1,0,0,0,0|1,0,0]=3 59 B10R1.18 CC(NC1=CC=CC=C1)=O BCP02363 [1,1,0,0,0,0|1,0,0]=3 60 B10R1.18 NC(CC1=CC=CC=C1)=O BCP10408 [1,1,0,0,0,0|0,0,0]=2 61 B10R1.18 O=C(Cl)OC1=CC=CC=C1 BCP14449 [1,1,0,0,0,0|1,0,0]=3 62 B10R1.18 OC(=O)Cc1ccncc1 BCP05255 [1,1,0,0,0,0|1,0,0]=3 63 B10R1.18 S=C(Cl)OC1=CC=CC=C1 BCP10334 [1,1,0,0,0,0|1,1,0]=4 64 B10R1.23 O=C(O)[C@@H](N)C1=CSC=C1 BCP11604 [0,1,0,0,1,0|2,0,0]=4 65 B12R1.43 C\C([N+]([O-])=O)=C\C1=CC=CC=C1 BCP10792 [0,1,0,0,0,1|1,0,1]=4 66 B12R1.43 N[C](CC1=CC=CC=C1)C(O)=O BCP16807 [0,1,0,0,0,1|1,0,1]=4 67 B12R1.30 CN(\C=C\C=O)C1=CC=CC=C1 BCP12987 [0,2,0,0,0,0|1,0,0]=3 68 B12R1.107 N[C@@H](CC(O)=O)C1=CC=CC=C1 BCP13904 [0,2,0,0,0,0|1,0,0]=3 69 B12R1.107 N[C](c1ccccc1)CC(=O)O BCP12759 [0,2,0,0,0,0|1,0,1]=4 70 B12R1.20 O=C(O)C(Br)C1=CC=C(Cl)C=C1 BCP05934 [0,2,0,0,0,0|1,0,0]=3 71 B12R1.225 ClC1=CC([C@@H](C(O)=O)N)=CC=C1 BCP19868 [0,2,0,0,0,0|1,0,0]=3 72 B12R1.225 ClC1=CC([C](C(O)=O)N)=CC=C1 BCP19872 [0,2,0,0,0,0|1,0,1]=4 73 B12R1.225 ClC1=CC([C](C(O)=O)N)=CC=C1 BCP19873 [0,2,0,0,0,0|1,0,1]=4 74 B12R1.225 OC1=CC=CC([C@@H](C)N(C)C)=C1 BCP11200 [0,2,0,0,0,0|2,0,0]=4 75 B12R1.225 OC1=CC=CC([C@@H](N(C)C)C)=C1 BCP05648 [0,2,0,0,0,0|2,0,0]=4 76 B10R2.6 [C]1(C2=CC=CC=C2)OC1 BCP14534 [1,0,0,1,0,0|0,0,2]=4 77 B10R2.7 C12=C(CNC1)C=CC=C2 BCP01139 [1,0,0,1,0,0|2,0,0]=4 78 B10R2.7 C12=C(CNC1)C=CC=C2 BCP15681 [1,0,0,1,0,0|2,0,0]=4 79 B10R2.7 C12=C(NC=C1)C=CC=C2 BCP29310 [1,0,0,1,0,0|1,0,1]=4 80 B12R2.18 O=C1NC2=C(C=CC=C2)C1=O BCP15996 [0,0,0,1,0,1|1,0,1]=4 81 B12R2.24 CC1COC2=C(C=CC=C2)N1 BCP14442 [0,0,0,1,0,1|0,0,2]=4 82 B12R2.116 NC1(C2=CC=CC=C2)CCC1 BCP10073 [0,1,0,1,0,0|1,0,1]=4 83 B12R2.1 O=CC1=CNC2=C1C=CC=C2 BCP00081 [0,1,0,1,0,0|0,0,2]=4 84 B12R2.1 O=CC1=COC2=CC=CC=C21 BCP07719 [0,1,0,1,0,0|0,0,2]=4 85 B12R2.1 OCC1=CNC2=C1C=CC=C2 BCP00087 [0,1,0,1,0,0|1,0,1]=4 86 B12R2.22 O=C1CC(C1)C2=CC=CC=C2 BCP20138 [0,1,0,1,0,0|0,0,0]=2 87 B12R2.1081 CC1C2=C(C=CC=C2)CCN1 BCP14751 [0,1,0,1,0,0|1,0,1]=4