0 B16R3.9 C1=CC2=CC=C3C=CC=CC3=C2C=C1 Z57139327 [0,0,0,0,0,0|2,0,0]=2 1 B16R3.9 C1=CC2=CC=C3C=CC=NC3=C2N=C1 Z2831602197 [0,0,0,0,0,0|0,0,0]=0 2 B16R3.9 C1=CC2=CC=C3N=CC=CC3=C2N=C1 Z1255382959 [0,0,0,0,0,0|2,0,0]=2 3 B16R3.9 C1=CC2=NC=C3N=CN=NC3=C2C=C1 Z1198155393 [0,0,0,0,0,0|4,0,0]=4 4 B16R3.9 C1=CNC2=C3NC=CC=C3C=CC2=C1 Z56794976 [0,0,0,0,0,0|0,0,2]=2 5 B17R3.4465 CC1=CC=NC2=C3N=CC=CC3=CC=C12 Z1255386700 [0,1,0,0,0,0|0,0,0]=1 6 B17R3.4465 ClC1=CC=NC2=C3N=CC=CC3=CC=C12 Z1509519033 [0,1,0,0,0,0|0,0,0]=1 7 B17R3.4465 ClC1=NC=NC2=C3C=CC=CC3=CC=C12 Z1694631253 [0,1,0,0,0,0|2,0,0]=3 8 B17R3.54615 NC1=C2C=CC=NC2=C3N=CC=CC3=C1 Z1255383416 [0,1,0,0,0,0|0,0,0]=1 9 B17R3.54615 O=C1NC2=C(C=CC=C2)C3=C1C=CC=C3 Z275368072 [0,1,0,0,0,0|3,0,0]=4 10 B17R3.54615 OC1=C2C=CC=NC2=C3N=CC=CC3=C1 Z5320735885 [0,1,0,0,0,0|0,0,0]=1 11 B15R2.21 N#CC1=C(N=CC=C1)C2=CC=CC=C2 Z1198161089 [0,0,1,0,0,0|2,0,1]=4 12 B15R2.21 NCC1=C(N=CC=C1)C2=CC=CC=C2 Z2313088996 [0,0,1,0,0,0|2,0,1]=4 13 B15R2.21 O=CC1=C(C=CC=C1)C2=CC=CC=C2 Z727783562 [0,0,1,0,0,0|3,0,0]=4 14 B15R2.2195 C(#CC1=CN=CC=C1)C2=CC=CC=C2 Z1198182901 [0,0,1,0,0,0|1,0,2]=4 15 B15R2.2195 C1=CC=C(C=C1)/C=C/C2=CC=NC=C2 Z276613790 [0,0,1,0,0,0|3,0,0]=4 16 B15R2.2195 C1=CC=C(C=C1)/C=C/C2=NC=CC=C2 Z1528723632 [0,0,1,0,0,0|3,0,0]=4 17 B15R2.2195 C1=CC=C(C=C1)/C=N/C2=CC=CC=C2 Z54089727 [0,0,1,0,0,0|3,0,0]=4 18 B15R2.2195 C1=CC=C(C=C1)OCC2=CN=CC=C2 Z316274206 [0,0,1,0,0,0|2,0,1]=4 19 B15R2.2195 C1=CC=C(C=C1)SCC2=CN=CC=C2 Z316274426 [0,0,1,0,0,0|2,0,1]=4 20 B15R3.3 C1=CC2=C(C=C1)C3=C(C2)C=CC=C3 Z57127470 [0,0,0,0,1,0|2,0,1]=4 21 B15R3.3 C1=CC2=C(C=C1)C3=C(N2)C=CC=C3 Z104472702 [0,0,0,0,1,0|3,0,0]=4 22 B15R3.3 C1=CC2=C(C=C1)C3=C(N2)C=CC=N3 Z1255388395 [0,0,0,0,1,0|2,0,0]=3 23 B15R3.3 C1=CC2=C(C=C1)C3=C(O2)C=CC=C3 Z57127512 [0,0,0,0,1,0|3,0,0]=4 24 B15R3.3 C1=CC2=C(C=C1)C3=C(S2)C=CC=C3 Z104477204 [0,0,0,0,1,0|3,0,0]=4 25 B17R3.1830 C1=CC2=C(C=C1)NC3=C(C=CC=C3)C=C2 Z56754946 [0,0,0,0,0,1|2,0,0]=3 26 B14R2.24 NC1=C(N=CC=C1)C2=CC=CC=C2 Z1520646013 [1,0,1,0,0,0|2,0,0]=4 27 B14R2.24 NC1=C(N=CC=C1)C2=NC=CC=C2 Z1255362114 [1,0,1,0,0,0|1,0,0]=3 28 B14R2.203 CC1=C(C2=C(C=CC=N2)C=C1)C=O Z1504682864 [1,0,1,0,0,0|1,0,1]=4 29 B14R2.203 O=CC1=C(C=CC2=C1N=CC=C2)Cl Z1184865919 [1,0,1,0,0,0|2,0,0]=4 30 B14R2.203 O=CC1=C(C=CC2=C1N=CC=C2)F Z1813144547 [1,0,1,0,0,0|2,0,0]=4 31 B16R2.477 O=C(O)/C=C/C1=CC2=C(C=CC=C2)C=C1 Z2942853570 [0,1,1,0,0,0|2,0,0]=4 32 B16R2.71 NC1=C(C=CC=N1)OCC2=CN=CC=C2 Z362783908 [0,1,1,0,0,0|1,0,1]=4 33 B16R2.132 ClC1=NC=C(C=C1)NCC2=CN=CC=C2 Z1521393836 [0,1,1,0,0,0|1,0,1]=4 34 B16R2.170412 C=CC(=O)NC1=C2C=CC=CC2=CC=C1 Z440633824 [0,1,1,0,0,0|1,0,1]=4 35 B16R2.170412 C=CC(=O)NC1=C2N=CC=CC2=NC=C1 Z2738283143 [0,1,1,0,0,0|1,0,1]=4 36 B16R2.179941 O=C(O)/C=C/C1=C2N=CC=CC2=CC=C1 Z2670716103 [0,1,1,0,0,0|2,0,0]=4 37 B16R3.20606 O=C1C2=C(C=CC=C2)C3=C1C=CC=C3 Z56926556 [0,1,0,0,1,0|2,0,0]=4 38 B16R3.335 CC1=NC2=C3C=CC=CC3=CC=C2S1 Z56899182 [0,1,0,0,1,0|2,0,0]=4 39 B16R3.335 NC1=NC2=C3C=CC=CC3=CC=C2S1 Z56887668 [0,1,0,0,1,0|2,0,0]=4 40 B18R3.89304 ClC1=CC=NC2=C3N=CC=C(C3=CC=C12)Cl Z1723943167 [0,2,0,0,0,0|0,0,0]=2 41 B18R3.17013 NCC1=NC2=C(C=C1)C=CC3=C2C=CC=C3 Z5129846222 [0,2,0,0,0,0|1,0,0]=3 42 B18R3.32851 CC1=NC2=C(C=C1)C=CC3=C2N=C(C=C3)C Z1224384937 [0,2,0,0,0,0|0,0,0]=2 43 B18R3.422788 O=C1C(=O)C2=C(C=CC=C2)C3=C1C=CC=C3 Z56943754 [0,2,0,0,0,0|2,0,0]=4 44 B14R2.14 O=CC1=CC=NN1C2=NC=CC=C2 Z1618133119 [0,0,1,0,1,0|2,0,0]=4