0 B10R1.17 c1ccc(cc1)C#CC=O LS11729 [0,0,0,0,0,0|0,0,2]=2 1 B10R1.17 c1ccc(cc1)CN=C=S LS11773 [0,0,0,0,0,0|1,1,2]=4 2 B10R1.17 c1ccc(cc1)C[Se]C#N LS11776 [0,0,0,0,0,0|2,0,2]=4 3 B10R1.17 c1ccc(cc1)NCCN LS10740 [0,0,0,0,0,0|2,0,2]=4 4 B9R1.8 CNNc1ccccc1 LS10173 [1,0,0,0,0,0|2,0,1]=4 5 B9R1.8 c1cc(cnc1)CC=O LS21221 [1,0,0,0,0,0|1,0,1]=3 6 B9R1.8 c1ccc(cc1)CCN LS10634 [1,0,0,0,0,0|1,0,2]=4 7 B9R1.8 c1ccc(cc1)CCN LS10635 [1,0,0,0,0,0|1,0,2]=4 8 B9R1.8 c1ccc(cc1)CNO LS11836 [1,0,0,0,0,0|1,0,2]=4 9 B9R1.8 c1ccc(cc1)CNO LS40338 [1,0,0,0,0,0|1,0,2]=4 10 B9R1.8 c1ccc(cc1)CON LS40003 [1,0,0,0,0,0|2,0,1]=4 11 B9R1.8 c1ccc(cc1)[Se]C#N LS11775 [1,0,0,0,0,0|2,0,1]=4 12 B11R1.16 C[C@@H](c1ccccc1)N=C=O LS30276 [0,1,0,0,0,0|1,0,2]=4 13 B11R1.91 CC(=O)CCc1ccccc1 LS10597 [0,1,0,0,0,0|0,0,2]=3 14 B11R1.91 c1cc(cnc1)\C=C\C(=O)O LS20492 [0,1,0,0,0,0|1,0,0]=2 15 B11R1.91 c1ccc(cc1)COC(=O)N LS40379 [0,1,0,0,0,0|1,0,1]=3 16 B11R1.91 c1ccc(cc1)CSC(=N)N LS11866 [0,1,0,0,0,0|2,0,1]=4 17 B11R1.91 c1ccc(cc1)\C=C\C(=O)O LS00072 [0,1,0,0,0,0|0,0,0]=1 18 B11R2.1 c1cc2c(c[nH]c2nc1)Br LS40010 [0,0,0,1,0,0|3,0,0]=4 19 B11R2.1 c1cc2c(nc1)COC2=O LS41441 [0,0,0,1,0,0|2,0,1]=4 20 B8R1.2 C#Cc1ccccc1 LS10701 [2,0,0,0,0,0|0,0,2]=4 21 B8R1.2 c1cc(cnc1)C=O LS20485 [2,0,0,0,0,0|1,0,0]=3 22 B8R1.2 c1ccc(cc1)C=O LS41490 [2,0,0,0,0,0|0,0,0]=2 23 B8R1.2 c1ccc(cc1)CO LS41488 [2,0,0,0,0,0|0,0,2]=4 24 B8R1.2 c1cnccc1C=O LS20943 [2,0,0,0,0,0|1,0,0]=3 25 B10R1.4 C=CCc1ccccc1O LS11683 [1,1,0,0,0,0|0,0,1]=3 26 B10R1.15 c1ccc(cc1)C(=O)CBr LS11352 [1,1,0,0,0,0|1,0,1]=4 27 B10R1.15 c1ccc(cc1)C(=O)CCl LS11677 [1,1,0,0,0,0|1,0,1]=4 28 B10R1.15 c1ccc(cc1)C(=O)CO LS10613 [1,1,0,0,0,0|0,0,2]=4 29 B10R1.18 CC(=O)Cc1ccncc1 LS00130 [1,1,0,0,0,0|1,0,1]=4 30 B10R1.18 c1ccc(cc1)CC(=O)N LS11701 [1,1,0,0,0,0|0,0,1]=3 31 B10R1.66 c1cc(sc1)\C=C\C(=O)O LS20822 [0,1,0,0,1,0|1,0,0]=3 32 B12R1.21 CC(=O)CCc1ccc(cc1)O LS40102 [0,2,0,0,0,0|0,0,2]=4 33 B12R1.21 c1cc(ccc1\C=C\C(=O)O)O LS30305 [0,2,0,0,0,0|0,0,0]=2 34 B12R1.21 c1cc(ccc1\C=C\[N+](=O)[O-])Br LS10167 [0,2,0,0,0,0|1,0,0]=3 35 B12R1.107 c1ccc(cc1)C(CC(=O)O)N LS11551 [0,2,0,0,0,0|0,0,2]=4 36 B12R1.107 c1ccc(cc1)C(CC(=O)O)O LS11565 [0,2,0,0,0,0|0,0,2]=4 37 B12R1.107 c1ccc(cc1)[C@@H](CC(=O)O)N LS30112 [0,2,0,0,0,0|0,0,2]=4 38 B12R1.107 c1ccc(cc1)[C@H](CC(=O)O)N LS30295 [0,2,0,0,0,0|0,0,2]=4 39 B12R1.107 c1ccc(cc1)[C@H](CC(=O)O)N LS30296 [0,2,0,0,0,0|0,0,2]=4 40 B12R1.252 c1ccc(cc1)CCCC(=O)O LS10686 [0,2,0,0,0,0|0,0,2]=4 41 B12R1.252 c1ccc(cc1)CNCC(=O)O LS40466 [0,2,0,0,0,0|0,0,2]=4 42 B12R1.252 c1ccc(cc1)COCC(=O)O LS10747 [0,2,0,0,0,0|0,0,2]=4 43 B12R1.43 CC(C(=O)O)Nc1ccccc1 LS10086 [0,2,0,0,0,0|1,0,1]=4 44 B12R1.43 C\C(=C/c1ccccc1)\[N+](=O)[O-] LS11815 [0,2,0,0,0,0|1,0,0]=3 45 B10R1.30 Cc1ccc(c(c1)C=O)Br LS10095 [0,0,1,1,0,0|1,0,1]=4 46 B10R1.30 c1cc(c(cc1Br)C=O)F LS10392 [0,0,1,1,0,0|2,0,0]=4 47 B10R1.30 c1cc(c(cc1Br)C=O)O LS10727 [0,0,1,1,0,0|2,0,0]=4 48 B10R1.30 c1cc(c(cc1Cl)C=O)N LS10227 [0,0,1,1,0,0|2,0,0]=4 49 B10R1.30 c1cc(c(cc1Cl)C=O)O LS11289 [0,0,1,1,0,0|2,0,0]=4 50 B10R1.30 c1cc(c(cc1F)C=O)Br LS10513 [0,0,1,1,0,0|2,0,0]=4 51 B10R1.30 c1cc(c(cc1F)C=O)O LS10505 [0,0,1,1,0,0|2,0,0]=4 52 B10R1.30 c1cc(c(cc1I)C=O)O LS11783 [0,0,1,1,0,0|2,0,0]=4 53 B10R1.30 c1cc(c(cc1O)C=O)F LS10101 [0,0,1,1,0,0|2,0,0]=4 54 B10R1.172 CCc1cccc(c1)C=O LS10374 [0,0,1,1,0,0|0,0,2]=4 55 B10R1.172 c1cc(cc(c1)C#N)C=O LS11367 [0,0,1,1,0,0|1,0,1]=4 56 B10R1.172 c1cc(cc(c1)C=O)C=O LS11856 [0,0,1,1,0,0|1,0,0]=3 57 B10R2.7 c1cc2c(cc[nH]2)nc1 LS21035 [1,0,0,1,0,0|2,0,0]=4 58 B10R2.7 c1cc2cc[nH]c2nc1 LS21042 [1,0,0,1,0,0|2,0,0]=4 59 B10R2.7 c1ccc2c(c1)CC=C2 LS11754 [1,0,0,1,0,0|0,0,1]=3 60 B10R2.7 c1ccc2c(c1)ccs2 LS40109 [1,0,0,1,0,0|0,1,0]=3 61 B10R2.7 c1ccc2c(c1)cn[nH]2 LS20969 [1,0,0,1,0,0|2,0,0]=4 62 B12R2.24 Cc1ccc2c(c1)nccn2 LS20082 [0,1,0,1,0,0|2,0,0]=4 63 B12R2.24 Cc1ccc2ccccc2n1 LS20882 [0,1,0,1,0,0|1,0,0]=3 64 B12R2.24 c1cc2cc(ccc2nc1)Br LS20107 [0,1,0,1,0,0|1,0,0]=3 65 B12R2.24 c1cc2cc(ccc2nc1)Br LS20924 [0,1,0,1,0,0|1,0,0]=3 66 B12R2.24 c1cc2cc(ccc2nc1)N LS20703 [0,1,0,1,0,0|1,0,0]=3 67 B12R2.24 c1cc2cc(ccc2nc1)O LS20702 [0,1,0,1,0,0|1,0,0]=3 68 B12R2.24 c1cc2ccc(cc2nc1)Br LS20471 [0,1,0,1,0,0|1,0,0]=3 69 B12R2.24 c1cc2cnccc2cc1Br LS20209 [0,1,0,1,0,0|2,0,0]=4 70 B12R2.24 c1cc2cncnc2cc1Cl LS21137 [0,1,0,1,0,0|2,0,0]=4 71 B12R2.24 c1ccc2c(c1)CCC(=O)C2 LS41173 [0,1,0,1,0,0|0,0,2]=4 72 B12R2.24 c1ccc2c(c1)NC(=O)CO2 LS40207 [0,1,0,1,0,0|1,0,1]=4 73 B12R2.24 c1ccc2cc(ccc2c1)Br LS20581 [0,1,0,1,0,0|1,0,0]=3 74 B12R2.24 c1ccc2cnc(cc2c1)Cl LS20460 [0,1,0,1,0,0|2,0,0]=4 75 B12R2.24 c1ccc2cnc(cc2c1)N LS20125 [0,1,0,1,0,0|2,0,0]=4 76 B12R2.2 c1ccc(cc1)c2cc[nH]n2 LS20162 [0,1,0,1,0,0|1,0,0]=3 77 B12R2.2 c1ccnc(c1)c2cccs2 LS20668 [0,1,0,1,0,0|1,1,0]=4 78 B12R2.1081 c1cc2c(cc[nH]c2=O)nc1 LS40892 [0,1,0,1,0,0|1,0,0]=3 79 B12R2.1081 c1cc2c(cccn2)c(c1)Br LS21041 [0,1,0,1,0,0|1,0,0]=3 80 B12R2.1081 c1cc2cnccc2c(c1)Br LS20772 [0,1,0,1,0,0|2,0,0]=4 81 B12R2.1081 c1cc2cnccc2c(c1)N LS21163 [0,1,0,1,0,0|2,0,0]=4 82 B12R2.1081 c1ccc2c(c1)c(=O)[nH]nn2 LS41926 [0,1,0,1,0,0|2,0,0]=4 83 B12R2.1081 c1ccc2c(c1)c(ccn2)Br LS20196 [0,1,0,1,0,0|1,0,0]=3 84 B12R2.1081 c1ccc2c(c1)c(ccn2)O LS21125 [0,1,0,1,0,0|0,0,1]=3 85 B12R2.1081 c1ccc2c(c1)c(ncn2)Cl LS21169 [0,1,0,1,0,0|2,0,0]=4 86 B12R2.1081 c1ccc2c(c1)cccc2Br LS11682 [0,1,0,1,0,0|1,0,0]=3 87 B12R2.1081 c1ccc2c(c1)cccc2F LS11687 [0,1,0,1,0,0|1,0,0]=3 88 B12R2.1081 c1ccc2c(c1)cccc2N LS41003 [0,1,0,1,0,0|1,0,0]=3 89 B12R2.1081 c1ccc2c(c1)ccnc2Cl LS20934 [0,1,0,1,0,0|1,0,0]=3 90 B12R2.2028 c1ccc2c(c1)C(OC2=O)Br LS40549 [0,1,0,1,0,0|1,0,1]=4 91 B12R2.2028 c1cncc2c1C(=O)NC2=O LS20290 [0,1,0,1,0,0|2,0,0]=4 92 B12R2.196 c1cc2c(c(c1)O)CCC2=O LS40238 [0,1,0,1,0,0|0,0,2]=4 93 B12R2.612 c1cc2c(cc1Br)COC2=O LS40024 [0,1,0,1,0,0|1,0,1]=4 94 B12R2.612 c1cc2c(cc1Cl)CCC2=O LS00023 [0,1,0,1,0,0|0,0,2]=4 95 B12R2.612 c1cc2c(cc1F)CCC2=O LS20516 [0,1,0,1,0,0|0,0,2]=4 96 B12R2.612 c1cc2c(cc1O)CCC2=O LS40251 [0,1,0,1,0,0|0,0,2]=4 97 B12R2.612 c1cc2c(cc1O)OCC2=O LS21028 [0,1,0,1,0,0|1,0,1]=4 98 B12R2.1 c1ccc2c(c1)c(c[nH]2)CO LS20980 [0,1,0,1,0,0|0,0,2]=4 99 B12R2.1 c1ccc2c(c1)c(n[nH]2)C=O LS21172 [0,1,0,1,0,0|1,0,0]=3 100 B12R2.18 c1ccc2c(c1)C(=O)C(=O)N2 LS21014 [0,1,0,1,0,0|1,0,0]=3