0 B9R1.8 ONCC1=CC=CC=C1 BCP07876 [1,0,0,0,0,0|1,0,2]=4 1 B11R1.16 C[C@@H](N=C=O)C1=CC=CC=C1 BCP08224 [0,1,0,0,0,0|1,0,2]=4 2 B11R1.16 C[C](N=C=O)C1=CC=CC=C1 BCP11253 [0,1,0,0,0,0|1,0,2]=4 3 B11R1.16 O=C(CNC)C1=CC=CC=C1 BCP11464 [0,1,0,0,0,0|2,0,1]=4 4 B11R1.17 BrC1=CC=CC=C1\C=C\C=O BCP04224 [0,1,0,0,0,0|0,0,0]=1 5 B11R1.91 O=C(Cl)CSC1=CC=NC=C1 BCP13684 [0,1,0,0,0,0|2,0,1]=4 6 B11R1.91 [O-][N+](\C=C\C1=CC=CC=C1)=O BCP12490 [0,1,0,0,0,0|1,0,0]=2 7 B11R2.1 BrC1=C2C=CC=CN2N=C1 BCP07335 [0,0,0,1,0,0|3,0,0]=4 8 B11R2.1 BrC1=CN=C2N1C=CC=C2 BCP22690 [0,0,0,1,0,0|3,0,0]=4 9 B11R2.1 BrC1=N[NH]C2=CC=CC=C12 BCP17108 [0,0,0,1,0,0|3,0,0]=4 10 B11R2.1 C1=C(C2=CC=CC=C2[NH]1)C BCP00912 [0,0,0,1,0,0|2,0,0]=3 11 B11R2.1 IC1=CNC2=CN=CC=C12 BCP08933 [0,0,0,1,0,0|3,0,0]=4 12 B11R2.1 O=C1C2=C(CC1)C=CC=C2 BCP19847 [0,0,0,1,0,0|0,0,2]=3 13 B11R2.1 O=C1COc2c1cccc2 BCP07835 [0,0,0,1,0,0|1,0,1]=3 14 B11R2.1 O=C1N2C=CC=CC2=NN1 BCP03573 [0,0,0,1,0,0|3,0,0]=4 15 B11R2.1 O=C1OCC2=NC=CC=C21 BCP00602 [0,0,0,1,0,0|2,0,1]=4 16 B11R2.20 C12=CC=NC=C1C=CC=C2 BCP23537 [0,0,0,1,0,0|2,0,0]=3 17 B8R1.2 C=CC1=CC=CN=C1 BCP12214 [2,0,0,0,0,0|1,0,0]=3 18 B8R1.2 [Na]SC1=CC=CC=C1 BCP14418 [2,0,0,0,0,0|2,0,0]=4 19 B10R1.18 C1=NC=CC=C1CC(O)=O BCP20278 [1,1,0,0,0,0|1,0,1]=4 20 B10R1.18 CC(=O)Cc1ccncc1 BCP13413 [1,1,0,0,0,0|1,0,1]=4 21 B10R1.18 CC(NC1=CC=CC=C1)=O BCP02363 [1,1,0,0,0,0|1,0,0]=3 22 B10R1.18 NC(CC1=CC=CC=C1)=O BCP10408 [1,1,0,0,0,0|0,0,1]=3 23 B10R1.18 O=C(Cl)OC1=CC=CC=C1 BCP14449 [1,1,0,0,0,0|1,0,0]=3 24 B10R1.18 OC(=O)Cc1ccncc1 BCP05255 [1,1,0,0,0,0|1,0,1]=4 25 B10R1.18 S=C(Cl)OC1=CC=CC=C1 BCP10334 [1,1,0,0,0,0|1,1,0]=4 26 B12R1.21 O=C(O)\C=C\C1=CC=C(N)N=C1 BCP19200 [0,2,0,0,0,0|1,0,0]=3 27 B12R1.30 CN(\C=C\C=O)C1=CC=CC=C1 BCP12987 [0,2,0,0,0,0|0,0,0]=2 28 B12R1.107 N[C@@H](CC(O)=O)C1=CC=CC=C1 BCP13904 [0,2,0,0,0,0|0,0,2]=4 29 B12R1.107 N[C](c1ccccc1)CC(=O)O BCP12759 [0,2,0,0,0,0|0,0,2]=4 30 B12R1.107 O=[N+](CC(C1=CC=CC=C1)=O)[O-] BCP06401 [0,2,0,0,0,0|1,0,1]=4 31 B12R1.226 BrC1=CC(CCC(O)=O)=CC=C1 BCP15306 [0,2,0,0,0,0|0,0,2]=4 32 B12R1.226 C1=C(C=CC=C1CCC(O)=O)Cl BCP04483 [0,2,0,0,0,0|0,0,2]=4 33 B12R1.27 O=C(CCC1=CC=CC=C1)CBr BCP00253 [0,2,0,0,0,0|0,0,2]=4 34 B12R1.27 O=C(OCC1=CC=CC=C1)CO BCP10145 [0,2,0,0,0,0|1,0,1]=4 35 B12R1.252 O=C(O)CCCC1=CC=CC=C1 BCP10715 [0,2,0,0,0,0|0,0,2]=4 36 B12R1.43 C\C([N+]([O-])=O)=C\C1=CC=CC=C1 BCP10792 [0,2,0,0,0,0|1,0,0]=3 37 B12R1.43 N[C](CC1=CC=CC=C1)C(O)=O BCP16807 [0,2,0,0,0,0|0,0,2]=4 38 B10R1.30 BrC1=CC=C(Cl)C=C1C=O BCP05871 [0,0,1,1,0,0|2,0,0]=4 39 B10R1.30 BrC1=CC=C(F)C=C1C=O BCP14475 [0,0,1,1,0,0|2,0,0]=4 40 B10R1.30 C1=C(C(=CC=C1F)O)C=O BCP18438 [0,0,1,1,0,0|2,0,0]=4 41 B10R1.172 O=CC1=CC=CC(CC)=C1 BCP06175 [0,0,1,1,0,0|0,0,2]=4 42 B10R2.7 C12=C(NC=C1)C=CC=C2 BCP29310 [1,0,0,1,0,0|1,0,0]=3 43 B10R2.7 C12=CN=CN1C=CC=C2 BCP11480 [1,0,0,1,0,0|2,0,0]=4 44 B12R2.24 BrC1=CC2=NC=CC=C2C=C1 BCP08383 [0,1,0,1,0,0|1,0,0]=3 45 B12R2.24 ClC1=CC2=CC=CN=C2C=C1 BCP20124 [0,1,0,1,0,0|1,0,0]=3 46 B12R2.24 FC1=CC=C2C=NC=CC2=C1 BCP02781 [0,1,0,1,0,0|2,0,0]=4 47 B12R2.24 IC1=CC2=C(C=CC=C2)C=C1 BCP13447 [0,1,0,1,0,0|1,0,0]=3 48 B12R2.24 NC1=NC2=NC=CC=C2C=C1 BCP04700 [0,1,0,1,0,0|2,0,0]=4 49 B12R2.24 OC1=CC2=CC=CC=C2N=C1 BCP20129 [0,1,0,1,0,0|1,0,0]=3 50 B12R2.132 Brc1ccc2c(c1)C(=O)OC2 BCP20630 [0,1,0,1,0,0|1,0,1]=4 51 B12R2.132 O=C1C2=C(CC1)C=CC(F)=C2 BCP04453 [0,1,0,1,0,0|0,0,2]=4 52 B12R2.132 O=C1CCC2=C1C=C(Br)C=C2 BCP16277 [0,1,0,1,0,0|0,0,2]=4 53 B12R2.2 C1(C2=CC=CC=C2)=CNN=C1 BCP09906 [0,1,0,1,0,0|2,0,0]=4 54 B12R2.2 C1(C2=CNC=N2)=CC=CN=C1 BCP09804 [0,1,0,1,0,0|2,0,0]=4 55 B12R2.22 O=C1CC(C1)C2=CC=CC=C2 BCP20138 [0,1,0,1,0,0|0,0,2]=4 56 B12R2.1081 ClC1=CC=CC2=CC=CN=C21 BCP19319 [0,1,0,1,0,0|1,0,0]=3 57 B12R2.1081 ClC1=NC=CC2=C1C=CC=C2 BCP08062 [0,1,0,1,0,0|1,0,0]=3 58 B12R2.1081 ClC1=NC=CC2=NC=CC=C21 BCP08210 [0,1,0,1,0,0|2,0,0]=4 59 B12R2.1081 FC1=C2C(C=CC=C2)=CC=C1 BCP11223 [0,1,0,1,0,0|1,0,0]=3 60 B12R2.1081 FC1=CC=CC2=CC=CN=C21 BCP19389 [0,1,0,1,0,0|1,0,0]=3 61 B12R2.1081 IC1=CN=CC2=CC=CC=C12 BCP20025 [0,1,0,1,0,0|1,0,0]=3 62 B12R2.1081 NC1=C2C(C=CC=N2)=NC=C1 BCP06863 [0,1,0,1,0,0|2,0,0]=4 63 B12R2.1081 Nc1nccc2ccccc12 BCP05774 [0,1,0,1,0,0|1,0,0]=3 64 B12R2.1081 O=C1CCNC2=C1C=CC=C2 BCP10083 [0,1,0,1,0,0|0,0,2]=4 65 B12R2.1081 O=C1CCOC2=C1C=CC=C2 BCP06538 [0,1,0,1,0,0|0,0,2]=4 66 B12R2.1081 O=C1NC=NC2=C1C=CC=C2 BCP00749 [0,1,0,1,0,0|1,0,0]=3 67 B12R2.1081 OC1=NC=CC2=C1C=NC=C2 BCP18680 [0,1,0,1,0,0|1,0,1]=4 68 B12R2.32 CCC1=CC=2C=CC=CC2N1 BCP15588 [0,1,0,1,0,0|1,0,1]=4 69 B12R2.612 Cc1ccc2c(c1)CCC2=O BCP09170 [0,1,0,1,0,0|0,0,2]=4 70 B12R2.612 O=C1C2=CC=C(Br)C=C2CC1 BCP04452 [0,1,0,1,0,0|0,0,2]=4 71 B12R2.612 O=C1COC2=CC(Cl)=CC=C12 BCP11607 [0,1,0,1,0,0|1,0,1]=4 72 B12R2.612 O=C1NCC2=C1C=CC(F)=C2 BCP07412 [0,1,0,1,0,0|1,0,1]=4 73 B12R2.612 O=C1OCC2=C1C=CC(Br)=C2 BCP15704 [0,1,0,1,0,0|1,0,1]=4 74 B12R2.1 O=CC1=CN=C2C=NC=CN12 BCP19588 [0,1,0,1,0,0|2,0,0]=4 75 B12R2.1 O=CC1=CNC2=C1C=CC=C2 BCP00081 [0,1,0,1,0,0|0,0,0]=2 76 B12R2.1 O=CC1=COC2=CC=CC=C21 BCP07719 [0,1,0,1,0,0|0,0,0]=2 77 B12R2.1 OCC1=CNC2=C1C=CC=C2 BCP00087 [0,1,0,1,0,0|0,0,2]=4 78 B12R2.18 O=C1NC2=C(C=CC=C2)C1=O BCP15996 [0,1,0,1,0,0|1,0,0]=3