0 B12R2.98 C1=CC=C(C1)[Ti+2]C2=CC=CC2 1P00HS3Q [0,0,0,0,0,0|3,0,1]=4 1 B12R2.98 C1=CC=C(C1)[Zr+2]C2=CC=CC2 1P0034ZP [0,0,0,0,0,0|3,0,1]=4 2 B12R2.98 c1ccc([nH]1)Cc2ccc[nH]2 1P00BFQJ [0,0,0,0,0,0|3,0,0]=3 3 B12R2.98 c1ccn(c1)Cc2ccco2 1P001IV4 [0,0,0,0,0,0|0,0,0]=0 4 B12R2.98 c1ccn(c1)Cc2cccs2 1P01BEQI [0,0,0,0,0,0|0,1,0]=1 5 B12R2.98 c1coc(c1)Cc2ccco2 1P000PYK [0,0,0,0,0,0|2,0,0]=2 6 B12R2.98 c1csc(c1)Cc2c[nH]cn2 1P01BCX4 [0,0,0,0,0,0|3,1,0]=4 7 B12R2.98 c1csc(c1)Cc2cccs2 1P00DC37 [0,0,0,0,0,0|2,1,0]=3 8 B12R2.98 c1ncn(c1)Cn2cncc2 1P00GAG0 [0,0,0,0,0,0|4,0,0]=4 9 B12R2.98 c1scc(c1)Cc2c[nH]cn2 1P01BCTB [0,0,0,0,0,0|4,0,0]=4 10 B13R2.29 Nc1ccnn1Cc2ccco2 1P00C92P [0,1,0,0,0,0|1,0,0]=2 11 B13R2.29 Nc1ccnn1Cc2cccs2 1P00732T [0,1,0,0,0,0|1,1,0]=3 12 B13R2.29 Nc1ccnn1Cc2cscc2 1P00IJRP [0,1,0,0,0,0|3,0,0]=4 13 B13R2.29 Sc1nncn1Cc2ccco2 1P019KN6 [0,1,0,0,0,0|2,0,0]=3 14 B13R2.29 Sc1nnnn1Cc2ccco2 1P019KLS [0,1,0,0,0,0|3,0,0]=4 15 B13R2.142 Brc1cnn(c1)Cc2ccno2 1P01XE3D [0,1,0,0,0,0|2,0,0]=3 16 B13R2.142 Brc1cnn(c1)Cc2nocc2 1P024H8Z [0,1,0,0,0,0|3,0,0]=4 17 B13R2.142 Cc1ccc(o1)Cc2ccco2 1P00AHG2 [0,1,0,0,0,0|2,0,0]=3 18 B13R2.142 Cc1ccc(o1)Cn2cccc2 1P0012TQ [0,1,0,0,0,0|0,0,0]=1 19 B13R2.142 Nc1ccn(n1)Cc2cscc2 1P01A8OO [0,1,0,0,0,0|3,0,0]=4 20 B13R2.142 Nc1ccn(n1)Cn2cccn2 1P00JEXP [0,1,0,0,0,0|3,0,0]=4 21 B13R2.142 Nc1scc(n1)Cn2cccn2 1P01DVGR [0,1,0,0,0,0|3,0,0]=4 22 B13R2.674 NC(c1ccco1)c2ccco2 1P009VYS [0,1,0,0,0,0|2,0,0]=3 23 B13R2.674 NC(c1cccs1)c2cccs2 1P01AKA6 [0,1,0,0,0,0|2,1,0]=4 24 B13R2.674 O=C(c1ccco1)c2ccco2 1P0027BL [0,1,0,0,0,0|2,0,1]=4 25 B13R2.674 OC(c1ncc[nH]1)c2ccco2 1P01AGC6 [0,1,0,0,0,0|3,0,0]=4 26 B11R1.4 C=CCNCCc1ccco1 1P01A5SK [0,0,1,0,0,0|2,0,1]=4 27 B11R1.30 C=CCN(Cc1ccco1)C 1P01C7TL [0,0,1,0,0,0|0,0,2]=3 28 B11R2.2 [nH]1ccc(n1)c2ccco2 1P00C8WN [0,0,0,0,1,0|3,0,0]=4 29 B11R2.2 c1ccc([nH]1)c2ccc[nH]2 1P0003JL [0,0,0,0,1,0|3,0,0]=4 30 B11R2.2 c1coc(c1)c2ccco2 1P00ELX9 [0,0,0,0,1,0|2,0,0]=3 31 B11R2.2 c1csc(c1)c2cccs2 1P003FQR [0,0,0,0,1,0|2,1,0]=4 32 B11R2.2 n1[nH]cc(c1)n2cccc2 1P019SIW [0,0,0,0,1,0|3,0,0]=4 33 B13R2.64 C1=CCN(C1)Cc2ccccc2 1P003353 [0,0,0,0,0,1|1,0,2]=4 34 B13R2.64 C1=CCN(CC1)Cc2cccs2 1P023S98 [0,0,0,0,0,1|0,1,2]=4 35 B13R2.64 c1ccc(cc1)C[n+]2cscc2 1P003JFP [0,0,0,0,0,1|2,0,1]=4 36 B13R2.64 c1ccc(cc1)Cc2c[nH]cc2 1P01C9FW [0,0,0,0,0,1|3,0,0]=4 37 B13R2.64 c1ccc(cc1)Cc2c[nH]cn2 1P01A6Z5 [0,0,0,0,0,1|3,0,0]=4 38 B13R2.64 c1ccc(cc1)Cc2ccn[nH]2 1P028KFT [0,0,0,0,0,1|3,0,0]=4 39 B13R2.64 c1ccc(cc1)Cc2ncc[nH]2 1P001EYF [0,0,0,0,0,1|3,0,0]=4 40 B13R2.64 c1ccc(cc1)Cn2cccc2 1P002ABC [0,0,0,0,0,1|1,0,0]=2 41 B13R2.64 c1ccc(cc1)Cn2cccn2 1P0006NI [0,0,0,0,0,1|2,0,0]=3 42 B13R2.64 c1ccc(cc1)Cn2cncc2 1P003BHR [0,0,0,0,0,1|2,0,0]=3 43 B13R2.64 c1ccc(cc1)Cn2cncn2 1P00E9V2 [0,0,0,0,0,1|3,0,0]=4 44 B13R2.64 c1ccc(cc1)Cn2nncc2 1P00DOWV [0,0,0,0,0,1|3,0,0]=4 45 B13R2.64 c1ccc(cc1)Sc2cccs2 1P001XNE [0,0,0,0,0,1|2,1,0]=4 46 B13R2.64 c1ccc(cn1)Cn2cccc2 1P003IQR [0,0,0,0,0,1|1,0,0]=2 47 B13R2.64 c1ccc(cn1)Cn2cncn2 1P027YCM [0,0,0,0,0,1|3,0,0]=4 48 B13R2.64 c1ccc(nc1)Cn2cncc2 1P019TVE [0,0,0,0,0,1|2,0,0]=3 49 B13R2.64 n1ccc(cc1)Cn2cccc2 1P004HY9 [0,0,0,0,0,1|1,0,0]=2 50 B13R2.183 c1coc(c1)CNc2nccs2 1P00KNCD [0,0,0,0,0,1|3,0,0]=4 51 B13R2.183 c1coc(c1)CSc2nccs2 1P0025I4 [0,0,0,0,0,1|3,0,0]=4 52 B10R1.21 C=CCNCc1cccs1 1P00JU44 [1,0,1,0,0,0|0,1,1]=4 53 B10R1.27 COC(=O)Cn1cccc1 1P006VIC [1,0,1,0,0,0|1,0,1]=4 54 B12R1.53 C=CCCN(Cc1ccco1)C 1P01DTAU [0,1,1,0,0,0|0,0,2]=4 55 B12R1.255 OC(=O)C=CSCc1ccco1 1P019ZFG [0,1,1,0,0,0|2,0,0]=4 56 B14R2.19 Brc1ccn(n1)Cc2ccccc2 1P01A64J [0,1,0,0,0,1|2,0,0]=4 57 B14R2.19 Brc1cnn(c1)Cc2ccccc2 1P00DATG [0,1,0,0,0,1|2,0,0]=4 58 B14R2.19 Brc1cnn(c1)Cc2cnccn2 1P024HOZ [0,1,0,0,0,1|2,0,0]=4 59 B14R2.19 Brc1ncn(c1)Cc2ccccc2 1P0083GK [0,1,0,0,0,1|2,0,0]=4 60 B14R2.19 C[n+]1ccn(c1)Cc2ccccc2 1P00D8MA [0,1,0,0,0,1|2,0,0]=4 61 B14R2.19 C[n+]1ccn(c1)Cc2ccccc2 1P00DI54 [0,1,0,0,0,1|2,0,0]=4 62 B14R2.19 C[n+]1ccn(c1)Cc2ccccc2 1P00DIKS [0,1,0,0,0,1|2,0,0]=4 63 B14R2.19 C[n+]1ccn(c1)Cc2ccccc2 1P00EK96 [0,1,0,0,0,1|2,0,0]=4 64 B14R2.19 Cc1ccn(n1)Cc2ccccc2 1P00FGRW [0,1,0,0,0,1|2,0,0]=4 65 B14R2.19 Ic1ccn(n1)Cc2ccccc2 1P01ACE4 [0,1,0,0,0,1|2,0,0]=4 66 B14R2.19 Ic1cnn(c1)Cc2ccccc2 1P003EGQ [0,1,0,0,0,1|2,0,0]=4 67 B14R2.19 Ic1ncn(c1)Cc2ccccc2 1P003EGR [0,1,0,0,0,1|2,0,0]=4 68 B14R2.19 Nc1ccn(n1)Cc2ccccc2 1P007R4K [0,1,0,0,0,1|2,0,0]=4 69 B14R2.19 Nc1ccn(n1)Cc2ccccc2 1P019VV0 [0,1,0,0,0,1|2,0,0]=4 70 B14R2.19 Nc1ccn(n1)Cc2ccccn2 1P01A8UW [0,1,0,0,0,1|2,0,0]=4 71 B14R2.19 Nc1ccn(n1)Cc2cccnc2 1P01A8UX [0,1,0,0,0,1|2,0,0]=4 72 B14R2.19 Nc1ccn(n1)Cc2ccncc2 1P018SST [0,1,0,0,0,1|2,0,0]=4 73 B14R2.19 Nc1cnn(c1)Cc2ccccc2 1P000T7N [0,1,0,0,0,1|2,0,0]=4 74 B14R2.19 Nc1cnn(c1)Cc2ccccc2 1P002VTP [0,1,0,0,0,1|2,0,0]=4 75 B14R2.19 Nc1cnn(c1)Cc2ccccn2 1P01A948 [0,1,0,0,0,1|2,0,0]=4 76 B14R2.19 Nc1cnn(c1)Cc2cccnc2 1P01A949 [0,1,0,0,0,1|2,0,0]=4 77 B14R2.19 Nc1cnn(c1)Cc2ccncc2 1P01A90U [0,1,0,0,0,1|2,0,0]=4 78 B14R2.19 Nc1cnn(c1)Cc2ncccn2 1P01A2L6 [0,1,0,0,0,1|2,0,0]=4 79 B14R2.19 Nc1ncn(c1)Cc2ccccc2 1P01FJMA [0,1,0,0,0,1|2,0,0]=4 80 B14R2.19 Nc1noc(c1)Cc2ccccc2 1P01XGG8 [0,1,0,0,0,1|2,0,0]=4 81 B14R2.19 O=c1ccn([nH]1)Cc2ccccc2 1P002LEU [0,1,0,0,0,1|2,0,0]=4 82 B14R2.19 Oc1cnn(c1)Cc2ccccc2 1P00BHDL [0,1,0,0,0,1|2,0,0]=4 83 B14R2.30 Brc1cncn1Cc2ccccc2 1P001150 [0,1,0,0,0,1|2,0,0]=4 84 B14R2.30 Cc1nccn1Cc2ccccc2 1P0013UI [0,1,0,0,0,1|2,0,0]=4 85 B14R2.30 Cc1nccn1Cc2ccccn2 1P01EIRR [0,1,0,0,0,1|2,0,0]=4 86 B14R2.30 N=c1sccn1Cc2ccccc2 1P019OUF [0,1,0,0,0,1|2,0,0]=4 87 B14R2.30 Nc1ccnn1Cc2ccccc2 1P00C0YG [0,1,0,0,0,1|2,0,0]=4 88 B14R2.30 Nc1ccnn1Cc2ccccn2 1P00IJSS [0,1,0,0,0,1|2,0,0]=4 89 B14R2.30 Nc1ccnn1Cc2cccnc2 1P008G3W [0,1,0,0,0,1|2,0,0]=4 90 B14R2.30 Nc1ccnn1Cc2ccncc2 1P00C98D [0,1,0,0,0,1|2,0,0]=4 91 B14R2.30 Nc1cnoc1Cc2ccccc2 1P0249D6 [0,1,0,0,0,1|2,0,0]=4 92 B14R2.30 Nc1nccn1Cc2ccccc2 1P002M2F [0,1,0,0,0,1|2,0,0]=4 93 B14R2.30 O=C1C=CCN1Cc2ccccc2 1P00EKFV [0,1,0,0,0,1|1,0,1]=4 94 B14R2.30 O=c1[nH]ccn1Cc2ccccc2 1P01CB8I [0,1,0,0,0,1|2,0,0]=4 95 B14R2.30 O=c1occn1Cc2ccccc2 1P0283JS [0,1,0,0,0,1|2,0,0]=4 96 B14R2.30 S=c1[nH]ccn1Cc2ccccc2 1P002N6M [0,1,0,0,0,1|2,0,0]=4 97 B14R2.30 Sc1nccn1Cc2ccccn2 1P01AI92 [0,1,0,0,0,1|2,0,0]=4 98 B14R2.50 Brc1ccccc1Cn2cncc2 1P005HW3 [0,1,0,0,0,1|2,0,0]=4 99 B14R2.50 Cc1ccccc1Cn2cccn2 1P028ZDM [0,1,0,0,0,1|2,0,0]=4 100 B14R2.50 Cc1cccnc1Cn2cccc2 1P019ZDM [0,1,0,0,0,1|1,0,0]=3 101 B14R2.50 Clc1ccccc1Cn2cccn2 1P01BCFV [0,1,0,0,0,1|2,0,0]=4 102 B14R2.50 Clc1ccccc1Cn2cncc2 1P017KJ9 [0,1,0,0,0,1|2,0,0]=4 103 B14R2.50 Fc1ccccc1Cn2cccn2 1P028ZLS [0,1,0,0,0,1|2,0,0]=4 104 B14R2.50 Nc1ccccc1Cn2cccn2 1P00IJRY [0,1,0,0,0,1|2,0,0]=4 105 B14R2.50 Nc1ccccc1Cn2cncc2 1P00IBAP [0,1,0,0,0,1|2,0,0]=4 106 B14R2.72 Brc1ccc(cc1)Cn2cccn2 1P000HT9 [0,1,0,0,0,1|2,0,0]=4 107 B14R2.72 Brc1ccc(cc1)Cn2cncc2 1P00FCAE [0,1,0,0,0,1|2,0,0]=4 108 B14R2.72 Clc1ccc(cn1)Cn2cncc2 1P002MIZ [0,1,0,0,0,1|2,0,0]=4 109 B14R2.72 Ic1ccc(cc1)Cn2cccc2 1P007KV3 [0,1,0,0,0,1|1,0,0]=3 110 B14R2.72 Nc1ccc(cc1)Cn2cccn2 1P009AUM [0,1,0,0,0,1|2,0,0]=4 111 B14R2.72 Nc1ccc(cc1)Cn2cncc2 1P00EBAC [0,1,0,0,0,1|2,0,0]=4 112 B14R2.72 Nc1ccc(cn1)Cn2cncc2 1P01BA27 [0,1,0,0,0,1|2,0,0]=4 113 B14R2.72 Oc1ccc(cc1)Cn2cccn2 1P008NQ1 [0,1,0,0,0,1|2,0,0]=4 114 B14R2.114 CC(n1cccc1)c2ccccc2 1P01EUTZ [0,1,0,0,0,1|1,0,0]=3 115 B14R2.114 NC(c1ccco1)c2ccccc2 1P004VNA [0,1,0,0,0,1|1,0,0]=3 116 B14R2.114 NC(c1ccco1)c2ccccc2 1P00D9YT [0,1,0,0,0,1|1,0,0]=3 117 B14R2.114 NC(c1cccs1)c2ccccc2 1P00F02V [0,1,0,0,0,1|1,1,0]=4 118 B14R2.114 O=C(c1ccco1)c2ccccc2 1P00BSXG [0,1,0,0,0,1|1,0,1]=4 119 B14R2.114 O=C(n1cccc1)c2ccccc2 1P006WCK [0,1,0,0,0,1|1,0,1]=4 120 B14R2.114 OC(c1ccco1)c2ccccc2 1P0071PG [0,1,0,0,0,1|1,0,0]=3 121 B14R2.114 OC(c1cccs1)c2ccccn2 1P01AHHW [0,1,0,0,0,1|1,1,0]=4 122 B14R2.114 OC(c1cccs1)c2cccnc2 1P0073FA [0,1,0,0,0,1|1,1,0]=4 123 B14R2.716 Brc1cccc(c1)Cn2cccn2 1P019U5P [0,1,0,0,0,1|2,0,0]=4 124 B14R2.716 Cc1cccc(n1)Cn2cccc2 1P01A01T [0,1,0,0,0,1|1,0,0]=3 125 B14R2.716 Nc1cccc(c1)Cn2cccn2 1P0042BU [0,1,0,0,0,1|2,0,0]=4 126 B14R2.716 Nc1cccc(c1)Cn2cncc2 1P000QT5 [0,1,0,0,0,1|2,0,0]=4 127 B14R2.716 Nc1cccc(c1)Cn2cncc2 1P00J1BL [0,1,0,0,0,1|2,0,0]=4 128 B14R2.716 Nc1ccnc(c1)Cn2cccn2 1P01BIX2 [0,1,0,0,0,1|2,0,0]=4 129 B14R2.83 O=Cc1cccn1Cc2ccco2 1P0014HA [0,2,0,0,0,0|0,0,0]=2 130 B14R2.83 O=Cc1cccn1Cc2cccs2 1P01AJQ1 [0,2,0,0,0,0|0,1,0]=3 131 B14R2.259 Brc1ccc(s1)Cn2nccc2N 1P019OEB [0,2,0,0,0,0|1,1,0]=4 132 B14R2.259 Brc1csc(c1)Cn2nccc2N 1P019OBH [0,2,0,0,0,0|1,1,0]=4 133 B14R2.259 Cc1ccc(o1)Cn2[nH]ccc2=N 1P01AA8L [0,2,0,0,0,0|1,0,0]=3 134 B14R2.259 Cc1ccc(o1)Cn2nccc2N 1P006CSW [0,2,0,0,0,0|1,0,0]=3 135 B14R2.259 Cc1ccc(s1)Cn2nccc2N 1P019OOD [0,2,0,0,0,0|1,1,0]=4 136 B14R2.259 Clc1ccc(s1)Cn2nccc2N 1P01C9Q3 [0,2,0,0,0,0|1,1,0]=4 137 B14R2.309 Nc1ccnn1Cc2sccc2C 1P019O9K [0,2,0,0,0,0|1,1,0]=4 138 B14R2.2946 Ic1cnn(c1N)Cc2ccco2 1P01ELM9 [0,2,0,0,0,0|1,0,0]=3 139 B14R2.4458 Brc1nn(c(c1)Br)Cc2ccco2 1P0291U8 [0,2,0,0,0,0|1,0,0]=3 140 B14R2.4458 Cc1nn(c(c1)N)Cc2cccs2 1P01AN5Q [0,2,0,0,0,0|1,1,0]=4 141 B14R2.4572 Cc1ccc(n1Cc2ccco2)C 1P019PFW [0,2,0,0,0,0|0,0,0]=2 142 B14R2.4572 O=C1CN=C(N1Cc2ccco2)S 1P01EKKN [0,2,0,0,0,0|1,0,1]=4 143 B14R2.4572 O=C1CSC(=S)N1Cc2ccco2 1P00726D [0,2,0,0,0,0|1,0,1]=4 144 B14R2.119 O=Cc1ccc([nH]1)Cn2cncc2 1P01EMNW [0,2,0,0,0,0|2,0,0]=4 145 B14R2.4563 CC(c1ccco1)(c2ccco2)C 1P0027BK [0,2,0,0,0,0|2,0,0]=4 146 B12R2.2 c1ccc(cc1)c2ccco2 1P00ACLU [0,0,1,1,0,0|1,0,1]=4 147 B12R2.2 c1ccc(cc1)n2cccc2 1P003F2F [0,0,1,1,0,0|1,0,1]=4 148 B14R3.49 c1ccc2c(c1)c3cncn3C2 1P001FNB [0,0,0,1,0,1|2,0,0]=4 149 B14R2.6 c1ccc(cc1)C[n+]2ccccc2 1P01EUTX [0,0,0,0,0,2|1,0,1]=4 150 B14R2.6 c1ccc(cc1)C[n+]2ccccc2 1P01EV3H [0,0,0,0,0,2|1,0,1]=4 151 B14R2.6 c1ccc(cc1)Cc2ccccc2 1P0003WJ [0,0,0,0,0,2|2,0,0]=4 152 B14R2.6 c1ccc(cc1)Cc2ccccn2 1P0003WI [0,0,0,0,0,2|2,0,0]=4 153 B14R2.6 c1ccc(cc1)Cc2cccnc2 1P00IBF5 [0,0,0,0,0,2|2,0,0]=4 154 B14R2.6 c1ccc(cc1)Cc2ccncc2 1P003LAP [0,0,0,0,0,2|2,0,0]=4 155 B14R2.6 c1ccc(cc1)Cc2cnccn2 1P00CF4G [0,0,0,0,0,2|2,0,0]=4 156 B14R2.6 c1ccc(nc1)Cc2ccccn2 1P007ATD [0,0,0,0,0,2|2,0,0]=4 157 B14R2.101 c1ccc(cc1)CCn2cccn2 1P019YQF [0,0,0,0,0,2|2,0,0]=4 158 B14R2.101 c1ccc(cc1)CCn2cncc2 1P00DFSE [0,0,0,0,0,2|2,0,0]=4 159 B14R2.101 c1ccc(cc1)COn2cccn2 1P0001KN [0,0,0,0,0,2|2,0,0]=4 160 B14R2.101 c1ccc(cc1)NCc2ccco2 1P00DIYB [0,0,0,0,0,2|1,0,0]=3 161 B14R2.101 c1ccc(cc1)NCc2cccs2 1P00VTWH [0,0,0,0,0,2|1,1,0]=4 162 B14R2.101 c1ccc(cn1)NCc2ccco2 1P00E89A [0,0,0,0,0,2|1,0,0]=3 163 B14R2.101 c1ccc(nc1)NCc2ccco2 1P00DWS1 [0,0,0,0,0,2|1,0,0]=3 164 B14R2.101 c1ccc(nc1)NCc2ccco2 1P019NKQ [0,0,0,0,0,2|1,0,0]=3 165 B14R2.101 c1ccc(nc1)NCc2cccs2 1P001CDK [0,0,0,0,0,2|1,1,0]=4 166 B14R2.101 n1ccc(cc1)NCc2ccco2 1P019VI4 [0,0,0,0,0,2|1,0,0]=3 167 B14R2.322 N(Cc1ccco1)Cc2ccco2 1P0024B3 [0,0,0,0,0,2|2,0,0]=4 168 B14R2.322 N(Cc1ccco1)Cc2ccco2 1P00J1KY [0,0,0,0,0,2|2,0,0]=4 169 B14R2.322 O(Cc1ccco1)Cc2ccco2 1P00DG6R [0,0,0,0,0,2|2,0,0]=4 170 B14R2.322 S(Cc1ccco1)Cc2ccco2 1P0012TJ [0,0,0,0,0,2|2,0,0]=4 171 B14R2.322 c1coc(c1)CNCc2cccs2 1P00GW01 [0,0,0,0,0,2|2,0,0]=4 172 B14R2.322 c1coc(c1)CNCc2cccs2 1P00J1L0 [0,0,0,0,0,2|2,0,0]=4 173 B14R2.322 c1coc(c1)C\N=C\c2ccco2 1P028U0R [0,0,0,0,0,2|2,0,0]=4