0 B13R1.713 CN(C)\C=C(/C#N)C1=CC=CC=C1 SBB082376 [0,0,0,0,0,0|2,0,1]=3 1 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 SBB040798 [1,0,0,0,0,0|1,0,2]=4 2 B12R1.107 CC(=O)\C=C(/N)C1=CC=CC=C1 SBB035905 [1,0,0,0,0,0|2,0,1]=4 3 B12R1.107 CC(C)NC(=O)C1=CC=CC=C1 SBB058207 [1,0,0,0,0,0|1,0,0]=2 4 B12R1.107 C[S+](C)CC(=O)C1=CC=CC=C1 SBB063237 [1,0,0,0,0,0|1,0,1]=3 5 B12R1.107 N(C(C)C)[C@H](C)C1=CC=CC=C1 SBB059587 [1,0,0,0,0,0|1,0,2]=4 6 B14R1.1019 CN(C)\C=C(/C#N)C1=CC=C(F)C=C1 SBB091136 [0,1,0,0,0,0|2,0,1]=4 7 B14R2.2 N1C=C(CN(C)C)C2=C1C=CC=C2 SBB003799 [0,0,0,1,0,0|2,0,1]=4 8 B14R2.21 CC1=CC(C2=CC=CC=C2)=CN=N1 SBB088434 [0,0,0,1,0,0|2,0,1]=4 9 B14R2.21 CC1=CC=CC(C2=CC=CC=C2)=C1 SBB055147 [0,0,0,1,0,0|1,0,2]=4 10 B14R2.598 CC1=NN(C2=CC=CC=C2)C(=O)C1 SBB003801 [0,0,0,1,0,0|2,0,1]=4 11 B14R2.598 O=C1C=C(C2=CC=CC=C2)C(=O)O1 SBB055770 [0,0,0,1,0,0|2,0,1]=4 12 B12R1.478 CC(C)C(C#N)C1=CC=CC=C1 SBB008509 [0,0,0,0,1,0|1,0,2]=4 13 B11R1.12 CC\C(=N/O)C1=CC=CC=C1 SBB080355 [2,0,0,0,0,0|1,0,1]=4 14 B11R1.12 O=C\C(=C/O)C1=CC=NC=C1 SBB013493 [2,0,0,0,0,0|2,0,0]=4 15 B11R1.16 CCCC(=O)C1=CC=CC=C1 SBB058761 [2,0,0,0,0,0|0,0,1]=3 16 B11R1.16 CCNC(=O)C1=CC=CC=C1 SBB058216 [2,0,0,0,0,0|1,0,0]=3 17 B11R1.16 CCOC(=O)C1=CC=CC=C1 SBB058595 [2,0,0,0,0,0|1,0,0]=3 18 B11R1.16 CCOC(=O)C1=CC=CN=C1 SBB065600 [2,0,0,0,0,0|2,0,0]=4 19 B11R1.16 CCOC(=O)C1=CC=NC=C1 SBB065225 [2,0,0,0,0,0|2,0,0]=4 20 B11R1.16 CCOC(=O)C1=NC=CC=C1 SBB065219 [2,0,0,0,0,0|2,0,0]=4 21 B11R1.16 O=C(CCCl)C1=CC=CC=C1 SBB063710 [2,0,0,0,0,0|1,0,1]=4 22 B11R1.16 O=C(CCF)C1=CC=CC=C1 SBB063711 [2,0,0,0,0,0|1,0,1]=4 23 B11R1.16 O=C(SCO)C1=CC=CC=C1 SBB088192 [2,0,0,0,0,0|2,0,0]=4 24 B11R1.16 O=C(\C=N\O)C1=CC=CC=C1 SBB063283 [2,0,0,0,0,0|2,0,0]=4 25 B11R1.91 CC(C)=CCC1=CC=CC=C1 SBB007979 [2,0,0,0,0,0|0,0,2]=4 26 B11R1.91 CC(C)NCC1=CC=CC=C1 SBB048017 [2,0,0,0,0,0|1,0,1]=4 27 B11R1.91 CN(C)\C=N\C1=CC=CC=C1 SBB007927 [2,0,0,0,0,0|2,0,0]=4 28 B13R1.11 CCC(C)NC(=O)C1=CC=CC=C1 SBB058214 [1,1,0,0,0,0|1,0,0]=3 29 B13R1.132 CC(C)NC(=O)C1=CC=C(F)C=C1 SBB089802 [1,1,0,0,0,0|1,0,0]=3 30 B13R1.132 CC(C)NC(=O)C1=CC=C(N)C=C1 SBB046815 [1,1,0,0,0,0|1,0,0]=3 31 B13R1.132 CC(C)OC(=O)C1=CC=C(N)C=C1 SBB007108 [1,1,0,0,0,0|1,0,0]=3 32 B13R1.132 CC(C)OC(=O)C1=CC=C(O)C=C1 SBB080171 [1,1,0,0,0,0|1,0,0]=3 33 B13R1.132 CC1=CC=C(C(=O)[N-][S+](C)C)C=C1 SBB091917 [1,1,0,0,0,0|2,0,0]=4 34 B13R1.132 C[S+](C)[N-]C(=O)C1=CC=C(Cl)C=C1 SBB095168 [1,1,0,0,0,0|2,0,0]=4 35 B13R1.147 CC(C)NC(=O)C1=CC=CC(N)=C1 SBB051057 [1,1,0,0,0,0|1,0,0]=3 36 B13R1.147 CC(C)OC(=O)C1=CC(O)=CC=C1 SBB080175 [1,1,0,0,0,0|1,0,0]=3 37 B13R1.147 C[S+](C)[N-]C(=O)C1=CC=CC(F)=C1 SBB092474 [1,1,0,0,0,0|2,0,0]=4 38 B13R1.201 CC(C)NC(=O)C1=CC=CC=C1N SBB018376 [1,1,0,0,0,0|1,0,0]=3 39 B13R1.201 CC(C)OC(=O)C1=C(N)C=CC=C1 SBB017701 [1,1,0,0,0,0|1,0,0]=3 40 B13R1.201 CC(C)OC(=O)C1=CC=CC=C1Br SBB099679 [1,1,0,0,0,0|1,0,0]=3 41 B13R1.201 CC(C)OC(=O)C1=CC=CC=C1O SBB065090 [1,1,0,0,0,0|1,0,0]=3 42 B13R1.352 CC(C)(C)NC(=O)C1=CC=CC=C1 SBB008207 [1,1,0,0,0,0|1,0,0]=3 43 B13R1.1111 CC(C)C(C(=O)O)C1=CC=CC=C1 SBB071437 [0,1,0,0,1,0|0,0,1]=3 44 B13R2.3 C1=CC=C(C2=CCCCC2)C=C1 SBB061269 [1,0,0,1,0,0|1,0,1]=4 45 B13R2.1613 O=CC1=CC=CC2=C1C=CC=C2 SBB040200 [1,0,0,1,0,0|0,0,2]=4 46 B13R2.1613 O=CC1=CC=NC2=CC=CC=C12 SBB004008 [1,0,0,1,0,0|1,0,1]=4 47 B13R2.1613 O=CC1=CN=CC2=CC=CC=C21 SBB087204 [1,0,0,1,0,0|1,0,1]=4 48 B13R2.2931 C(=O)C1=CN(C)C2=C1C=CC=C2 SBB010057 [1,0,0,1,0,0|1,0,0]=3 49 B13R2.12159 CC1(C)OC(=O)C2=CC=CC=C21 SBB056312 [1,0,0,1,0,0|1,0,0]=3 50 B13R2.135 CC1=C(C=O)C2=C(C=CC=C2)N1 SBB015331 [0,0,0,1,1,0|1,0,1]=4 51 B15R2.39201 CC(=O)N1C=C(C=O)C2=C1C=CC=C2 SBB066667 [0,0,0,1,0,1|1,0,1]=4 52 B15R2.39201 CC(C)N1C=C(C=O)C2=C1C=CC=C2 SBB010759 [0,0,0,1,0,1|0,0,0]=2 53 B15R2.16 CN1C=C(C=O)C(C2=CC=CC=C2)=N1 SBB006801 [0,0,0,1,0,1|2,0,0]=4 54 B15R2.1853 CC(C)N1C2=CC=CC=C2N=C1C=O SBB010776 [0,0,0,1,0,1|1,0,0]=3 55 B15R2.13159 N1C(=O)C(C)(C)CN1C2=CC=CC=C2 SBB003657 [0,1,0,1,0,0|1,0,1]=4 56 B15R2.323 CN1CC(=O)N(C2=CC=CC=C2)C1=S SBB023539 [0,1,0,1,0,0|2,0,0]=4 57 B15R2.323 O=C1CC(=O)C(C2=CC=CC=C2)=C1O SBB012387 [0,1,0,1,0,0|1,0,1]=4 58 B15R2.1255 CC(Br)C(=O)C1=CNC2=CC=CC=C21 SBB011961 [0,1,0,1,0,0|2,0,0]=4 59 B15R2.1255 CC(Cl)C(=O)C1=CNC2=C1C=CC=C2 SBB011181 [0,1,0,1,0,0|2,0,0]=4 60 B15R2.21211 CN1C(=O)C=C(C=O)C2=C1C=CC=C2 SBB013184 [0,1,0,1,0,0|1,0,1]=4 61 B15R2.988 CC1=CC(C(=O)O)=C2C=CC=CC2=N1 SBB004498 [0,1,0,1,0,0|1,0,1]=4 62 B15R2.988 CC1=NC2=CC=CC=C2C(C(N)=O)=C1 SBB044950 [0,1,0,1,0,0|1,0,1]=4 63 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 SBB064017 [1,0,0,0,1,0|1,0,1]=4 64 B11R1.36 CC(Br)C(=O)C1=CC=CC=C1 SBB058576 [1,0,0,0,1,0|1,0,0]=3 65 B11R1.36 CN(C)C(=O)C1=CC=CC=C1 SBB058219 [1,0,0,0,1,0|1,0,0]=3 66 B11R1.36 O=C(C1=CC=CC=C1)C(F)F SBB087123 [1,0,0,0,1,0|2,0,0]=4 67 B13R1.45 CN(C)CCC(=O)C1=CC=CC=C1 SBB068823 [1,0,0,0,0,1|1,0,1]=4 68 B13R1.45 CN(C)\C=C/C(=O)C1=CC=CC=C1 SBB023014 [1,0,0,0,0,1|1,0,0]=3 69 B13R1.45 CN(C)\C=C\C(=O)C1=CC=CC=N1 SBB083302 [1,0,0,0,0,1|2,0,0]=4 70 B13R1.45 CN(C)\C=C\C(=O)C1=CC=CN=C1 SBB065455 [1,0,0,0,0,1|2,0,0]=4 71 B13R1.45 CN(C)\C=N\C(=O)C1=CC=CC=C1 SBB055111 [1,0,0,0,0,1|1,0,0]=3 72 B13R1.45 [NH+](C)(C)CCC(=O)C1=CC=CC=C1 SBB057905 [1,0,0,0,0,1|1,0,1]=4 73 B13R1.348 CC(C)NC(=O)NC1=CC=CC=C1 SBB056571 [1,0,0,0,0,1|1,0,0]=3