0 B10R1.18 CC(=O)Cc1ccnnc1 FS010187 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.8 c1ccnc(c1)CCO FS011369 [1,0,0,0,0,0|1,0,1]=3 2 B9R1.8 c1cnc(nc1)CCO FS010751 [1,0,0,0,0,0|2,0,1]=4 3 B9R1.8 c1cnccc1CON FS009092 [1,0,0,0,0,0|3,0,0]=4 4 B9R1.8 c1cncnc1CCO FS010754 [1,0,0,0,0,0|2,0,1]=4 5 B11R1.20 CC(=O)Cc1ccc(nc1)Cl FS011484 [0,1,0,0,0,0|2,0,0]=3 6 B11R1.20 CC(=O)Nc1ccc(cc1)Br FS003009 [0,1,0,0,0,0|2,0,0]=3 7 B11R1.20 c1cc(ncc1CC(=O)O)Cl FS011384 [0,1,0,0,0,0|1,0,0]=2 8 B11R1.40 CC(Cc1ccccc1)[Mg]Br FS410095 [0,1,0,0,0,0|2,0,1]=4 9 B11R1.40 CC(Cc1ccccc1)[Mg]Br FS420093 [0,1,0,0,0,0|2,0,1]=4 10 B11R1.40 c1cc(cnc1)C\C(=N\O)\N FS010859 [0,1,0,0,0,0|2,0,0]=3 11 B11R1.86 C[C@@H](Cc1ccccc1O)O FS024562 [0,1,0,0,0,0|1,0,1]=3 12 B11R1.86 C[C@H](Cc1ccccc1O)O FS024561 [0,1,0,0,0,0|1,0,1]=3 13 B11R1.86 Cc1cccnc1CC(=C)Br FS009152 [0,1,0,0,0,0|3,0,0]=4 14 B11R1.157 C[C@@H](Cc1cccc(c1)Br)O FS024556 [0,1,0,0,0,0|1,0,1]=3 15 B11R1.157 C[C@@H](Cc1cccc(c1)O)O FS024550 [0,1,0,0,0,0|1,0,1]=3 16 B11R1.157 C[C@H](Cc1cccc(c1)Br)O FS024555 [0,1,0,0,0,0|1,0,1]=3 17 B11R1.157 C[C@H](Cc1cccc(c1)O)O FS024549 [0,1,0,0,0,0|1,0,1]=3 18 B11R1.157 Cc1cc(cnc1)C[C@H](C)O FS024601 [0,1,0,0,0,0|2,0,1]=4 19 B11R1.157 c1cc(nc(c1)Cl)CC(=O)O FS011485 [0,1,0,0,0,0|1,0,0]=2 20 B11R2.10 c1ccc2c(c1)cc(s2)I FS002046 [0,0,0,1,0,0|1,1,1]=4 21 B9R1.6 B(c1ccncc1)(O)O FS000884 [0,0,0,0,1,0|2,0,1]=4 22 B9R1.13 C[C@@H](Cc1cccs1)O FS024582 [0,0,0,0,1,0|2,0,1]=4 23 B9R1.13 C[C@@H](Cc1ccsc1)O FS024621 [0,0,0,0,1,0|2,0,1]=4 24 B9R1.13 C[C@H](Cc1cccs1)O FS024581 [0,0,0,0,1,0|2,0,1]=4 25 B9R1.13 C[C@H](Cc1ccsc1)O FS024620 [0,0,0,0,1,0|2,0,1]=4 26 B11R1.91 CC(C#Cc1ccccc1)O FS000001 [0,0,0,0,0,1|1,0,2]=4 27 B11R1.91 c1ccc(cc1)OCC(=S)N FS000867 [0,0,0,0,0,1|1,1,0]=3 28 B8R1.2 c1cc(cnc1)CO FS011361 [2,0,0,0,0,0|1,0,0]=3 29 B8R1.2 c1cnccc1CBr FS000895 [2,0,0,0,0,0|2,0,0]=4 30 B10R1.1 c1cc(ccc1CCN)Br FS000610 [1,1,0,0,0,0|1,0,1]=4 31 B10R1.1 c1cc(ccc1CCO)Br FS000612 [1,1,0,0,0,0|0,0,1]=3 32 B10R1.1 c1cc(ccc1CON)F FS001336 [1,1,0,0,0,0|2,0,0]=4 33 B10R1.1 c1cc(ccc1C[Zn]Cl)Br FS430385 [1,1,0,0,0,0|2,0,0]=4 34 B10R1.1 c1cc(ccc1C[Zn]Cl)Br FS430881 [1,1,0,0,0,0|2,0,0]=4 35 B10R1.4 c1cc(c(nc1)CCO)Br FS010556 [1,1,0,0,0,0|1,0,1]=4 36 B10R1.4 c1ccc(c(c1)CCO)Br FS000614 [1,1,0,0,0,0|0,0,1]=3 37 B10R1.10 c1cc(cc(c1)F)CON FS001338 [1,1,0,0,0,0|2,0,0]=4 38 B10R1.15 CC(CO)c1ccccn1 FS010750 [1,1,0,0,0,0|1,0,1]=4 39 B10R1.15 CC(c1ccccc1)[Zn]Cl FS430376 [1,1,0,0,0,0|2,0,0]=4 40 B10R1.15 CC(c1ccccc1)[Zn]Cl FS430876 [1,1,0,0,0,0|2,0,0]=4 41 B10R1.17 C=COCc1ccccc1 FS010248 [1,1,0,0,0,0|1,0,0]=3 42 B10R1.17 CON=Cc1ccccc1 FS024700 [1,1,0,0,0,0|1,0,1]=4 43 B10R1.17 c1ccc(cc1)C#CCO FS000843 [1,1,0,0,0,0|0,0,2]=4 44 B10R1.17 c1ccc(cc1)CCCBr FS410094 [1,1,0,0,0,0|1,0,1]=4 45 B10R1.17 c1ccc(cc1)CCON FS001332 [1,1,0,0,0,0|0,0,1]=3 46 B10R1.17 c1ccnc(c1)CCON FS009095 [1,1,0,0,0,0|1,0,1]=4 47 B10R1.61 B(c1ccccc1F)(O)O FS000050 [0,1,0,0,1,0|1,0,1]=4 48 B10R1.61 c1ccc(c(c1)C(=O)N)Br FS000820 [0,1,0,0,1,0|1,0,0]=3 49 B10R1.61 c1cnnc(c1C(=O)O)N FS007178 [0,1,0,0,1,0|2,0,0]=4 50 B10R1.113 c1cnc(cc1Br)C(=O)O FS061087 [0,1,0,0,1,0|1,0,0]=3 51 B10R1.113 c1cnc(cc1C(=O)O)Cl FS000571 [0,1,0,0,1,0|1,0,0]=3 52 B10R1.54 c1c(csc1CC(=O)O)Br FS001088 [0,1,0,0,1,0|1,0,0]=3 53 B12R1.21 c1cc(ncc1\C=C\C(=O)O)Cl FS007760 [0,1,0,0,0,1|1,0,1]=4 54 B12R1.27 c1ccc(cc1)CNC(=S)NN FS000838 [0,1,0,0,0,1|1,1,0]=4 55 B12R1.226 Cc1cccc(c1)CCC(=O)O FS000856 [0,1,0,0,0,1|0,0,0]=2 56 B12R1.226 c1c(cncc1Br)\C=C\C(=O)O FS007758 [0,1,0,0,0,1|1,0,1]=4 57 B12R1.891 c1ccc(cc1)CCP(=O)(O)O FS001504 [0,1,0,0,0,1|1,0,0]=3 58 B12R1.891 c1ccc(cc1)CCS(=O)(=O)Cl FS009028 [0,1,0,0,0,1|1,0,1]=4 59 B12R1.106 Cc1ccc(cc1)CP(=O)(O)O FS001507 [0,2,0,0,0,0|1,0,0]=3 60 B12R1.106 c1cc(ccc1CP(=O)(O)O)Cl FS001506 [0,2,0,0,0,0|1,0,0]=3 61 B12R1.233 Cc1ccc(c(c1)Br)NC(=O)C FS000833 [0,2,0,0,0,0|2,0,0]=4 62 B12R1.564 CC(c1ccccc1)P(=O)(O)O FS001505 [0,2,0,0,0,0|1,0,0]=3 63 B12R1.50 COC(=O)Cc1cccc(n1)Cl FS011495 [0,2,0,0,0,0|1,0,0]=3 64 B12R1.127 c1cc(c(cc1Cl)CC(=O)O)Br FS011376 [0,2,0,0,0,0|0,0,0]=2 65 B12R1.224 c1cc(c(c(c1)Br)F)CC(=O)O FS007290 [0,2,0,0,0,0|0,0,0]=2 66 B12R1.224 c1cc(c(c(c1)F)Br)CC(=O)O FS007288 [0,2,0,0,0,0|0,0,0]=2 67 B12R1.438 CC(=O)Oc1cccc(c1)C=O FS011360 [0,2,0,0,0,0|2,0,0]=4 68 B12R1.438 C[C@@H](Cc1cccc(c1)C=O)O FS024570 [0,2,0,0,0,0|1,0,1]=4 69 B12R1.438 C[C@@H](Cc1cccc(c1)OC)O FS024564 [0,2,0,0,0,0|1,0,1]=4 70 B12R1.438 C[C@H](Cc1cccc(c1)C=O)O FS024569 [0,2,0,0,0,0|1,0,1]=4 71 B12R1.438 C[C@H](Cc1cccc(c1)OC)O FS024563 [0,2,0,0,0,0|1,0,1]=4 72 B12R2.24 c1cc2c(nc1)NC(=O)CO2 FS007344 [0,0,0,1,0,1|2,0,0]=4 73 B12R2.606 Cc1nc2cc(ccc2o1)Br FS002011 [0,1,0,1,0,0|2,0,0]=4 74 B8R1.8 c1cc(sc1)CCO FS011370 [1,0,0,0,1,0|1,0,1]=4 75 B8R1.7 c1cnsc1C(=O)O FS007460 [0,0,0,0,2,0|2,0,0]=4 76 B8R1.7 c1csnc1C(=O)O FS007459 [0,0,0,0,2,0|2,0,0]=4