0 B9R1.35 CC(=O)C1=CC=C(C)S1 CS-W002097 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.35 CC1=CN=C(C(=O)O)S1 CS-0030600 [0,0,0,0,0,0|2,0,0]=2 2 B9R1.35 CC1=CSC(C(=O)O)=C1 CS-0036630 [0,0,0,0,0,0|2,0,0]=2 3 B9R1.35 CC1=NN=C(C(=O)[O-])O1 CS-W000575 [0,0,0,0,0,0|1,0,2]=3 4 B9R1.35 CN1C=NC([N+](=O)[O-])=C1 CS-W018929 [0,0,0,0,0,0|3,0,1]=4 5 B9R1.35 NC1=NC=C(C(=O)O)S1 CS-W003268 [0,0,0,0,0,0|3,0,1]=4 6 B9R1.35 O=C(O)C1=CC(Br)=CN1 CS-D0459 [0,0,0,0,0,0|2,0,1]=3 7 B9R1.35 O=C(O)C1=CC=C(Cl)S1 CS-M1254 [0,0,0,0,0,0|4,0,0]=4 8 B9R1.35 O=C(O)C1=CSC(Cl)=C1 CS-W019291 [0,0,0,0,0,0|3,0,0]=3 9 B9R1.35 O=C(O)C1=NC=C(Br)S1 CS-W022341 [0,0,0,0,0,0|3,0,0]=3 10 B9R1.35 O=C(O)C1=NN=C(Br)N1 CS-0019283 [0,0,0,0,0,0|2,0,1]=3 11 B9R1.35 O=C1C=C(C(=O)O)ON1 CS-W021938 [0,0,0,0,0,0|2,0,0]=2 12 B8R1.1 CC1=NC(C=O)=CO1 CS-W008275 [1,0,0,0,0,0|3,0,0]=4 13 B8R1.1 CC1=NC=C(C=O)S1 CS-W019857 [1,0,0,0,0,0|2,0,1]=4 14 B8R1.1 CN1C=NC(CO)=C1 CS-W006176 [1,0,0,0,0,0|2,0,1]=4 15 B8R1.1 O=CC1=CC(Br)=CN1 CS-W020675 [1,0,0,0,0,0|2,0,1]=4 16 B8R1.1 O=CC1=CC(Br)=NO1 CS-W021887 [1,0,0,0,0,0|2,0,1]=4 17 B8R1.7 CC(=O)C1=CC=CN1 CS-W013672 [1,0,0,0,0,0|2,0,1]=4 18 B8R1.7 CC(=O)C1=CC=CO1 CS-W016628 [1,0,0,0,0,0|3,0,0]=4 19 B8R1.7 CC(=O)C1=CC=CS1 CS-W020047 [1,0,0,0,0,0|3,0,0]=4 20 B8R1.7 CC(=O)C1=CSC=C1 CS-W007361 [1,0,0,0,0,0|3,0,0]=4 21 B8R1.7 CC(=O)C1=NC=CS1 CS-W008970 [1,0,0,0,0,0|3,0,0]=4 22 B8R1.7 NC(=O)C1=NNC=C1 CS-W006006 [1,0,0,0,0,0|1,0,0]=2 23 B8R1.7 O=C(O)C1=CN=CO1 CS-W007534 [1,0,0,0,0,0|2,0,1]=4 24 B10R1.14 COC(=O)C1=CC(Br)=CO1 CS-M2917 [0,1,0,0,0,0|3,0,0]=4 25 B10R1.14 COC(=O)C1=NN(C)C=N1 CS-W019187 [0,1,0,0,0,0|3,0,0]=4 26 B10R1.14 COC(=O)C1=NNC(C)=C1 CS-W008500 [0,1,0,0,0,0|0,0,0]=1 27 B10R1.31 N#CC1=CSC(C(=O)O)=C1 CS-0101116 [0,1,0,0,0,0|2,0,1]=4 28 B10R1.58 CC1=CC(C(=O)O)=NN1C CS-W004978 [0,1,0,0,0,0|0,0,0]=1 29 B10R1.59 CC1=CC(C(=O)O)=C(C)N1 CS-0084065 [0,1,0,0,0,0|1,0,0]=2 30 B10R1.59 CC1=CC(C(=O)O)=C(C)O1 CS-B1374 [0,1,0,0,0,0|2,0,0]=3 31 B10R1.59 CC1=NC(C)=C(C(=O)O)O1 CS-0049607 [0,1,0,0,0,0|2,0,1]=4 32 B10R1.59 CC1=NN(C)C(C(=O)O)=C1 CS-D0830 [0,1,0,0,0,0|0,0,2]=3 33 B10R1.13 CC(=O)C1=CC=C(C)C=C1 CS-W013369 [0,0,0,0,0,1|3,0,0]=4 34 B10R1.13 CC(=O)C1=NC=C(Br)C=N1 CS-0042572 [0,0,0,0,0,1|3,0,0]=4 35 B10R1.13 CC1=CN=C(C(=O)O)C=C1 CS-D1603 [0,0,0,0,0,1|1,0,0]=2 36 B10R1.13 CC1=CN=C(C(=O)O)N=C1 CS-W022418 [0,0,0,0,0,1|1,0,0]=2 37 B10R1.13 N=C1C=CC(C(=O)O)=CN1 CS-W016509 [0,0,0,0,0,1|2,0,0]=3 38 B10R1.13 NC1=CN=C(C(=O)O)C=C1 CS-D0614 [0,0,0,0,0,1|2,0,0]=3 39 B10R1.13 NC1=NC=C(C(=O)O)N=C1 CS-W019175 [0,0,0,0,0,1|2,0,0]=3 40 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 CS-M3680 [0,0,0,0,0,1|3,0,0]=4 41 B10R1.13 O=C(O)C1=CC=C(I)C=C1 CS-W014112 [0,0,0,0,0,1|3,0,0]=4 42 B10R1.13 O=C(O)C1=CN=C(Cl)N=C1 CS-W019608 [0,0,0,0,0,1|2,0,1]=4 43 B10R1.13 O=C(O)C1=NN=C(O)C=C1 CS-W005425 [0,0,0,0,0,1|1,0,1]=3 44 B10R1.113 CC(=O)C1=CC(F)=CN=C1 CS-0046260 [0,0,0,0,0,1|3,0,0]=4 45 B10R1.113 CC(=O)C1=CC=CC(C)=C1 CS-W013375 [0,0,0,0,0,1|3,0,0]=4 46 B10R1.113 CC(=O)C1=NC=CC(C)=C1 CS-W013352 [0,0,0,0,0,1|2,0,0]=3 47 B10R1.113 NC1=CC(C(=O)O)=CC=C1 CS-W019987 [0,0,0,0,0,1|3,0,0]=4 48 B10R1.113 O=C(O)C1=CC(Br)=CN=C1 CS-W020058 [0,0,0,0,0,1|2,0,0]=3 49 B10R1.113 O=C(O)C1=CC(F)=CC=C1 CS-W016469 [0,0,0,0,0,1|3,0,0]=4 50 B10R1.113 O=C(O)C1=CC=CC(Br)=C1 CS-W019787 [0,0,0,0,0,1|3,0,0]=4 51 B10R1.113 O=C(O)C1=NC=CC(Br)=C1 CS-W004860 [0,0,0,0,0,1|2,0,0]=3 52 B7R1.1 N#CC1=NNC=C1 CS-W019604 [2,0,0,0,0,0|1,0,1]=4 53 B7R1.1 NCC1=NNC=C1 CS-W019647 [2,0,0,0,0,0|1,0,1]=4 54 B7R1.1 O=CC1=CC=CS1 CS-W013657 [2,0,0,0,0,0|2,0,0]=4 55 B7R1.1 O=CC1=NC=CO1 CS-W006539 [2,0,0,0,0,0|2,0,0]=4 56 B7R1.2 CC1=CC(=O)NN1 CS-W013725 [2,0,0,0,0,0|0,0,1]=3 57 B7R1.2 CC1=CC(I)=NN1 CS-W021944 [2,0,0,0,0,0|1,0,0]=3 58 B7R1.2 CC1=CC(O)=NO1 CS-W011330 [2,0,0,0,0,0|1,0,0]=3 59 B7R1.2 CC1=NN=C(O)C1 CS-W013724 [2,0,0,0,0,0|0,0,2]=4 60 B9R1.22 CC1=NN(C)C(C=O)=C1 CS-W005610 [1,1,0,0,0,0|0,0,2]=4 61 B9R1.11 COC(=O)C1=CSC=C1 CS-W007570 [1,1,0,0,0,0|2,0,0]=4 62 B9R1.41 CC1=C(C(=O)O)C=CN1 CS-0038738 [1,1,0,0,0,0|1,0,0]=3 63 B9R1.41 CN1N=CC=C1C(=O)O CS-D1713 [1,1,0,0,0,0|0,0,2]=4 64 B9R1.41 NC1=NSN=C1C(=O)O CS-W019539 [1,1,0,0,0,0|2,0,0]=4 65 B9R1.41 O=C(O)C1=C(Br)SC=N1 CS-W022342 [1,1,0,0,0,0|2,0,0]=4 66 B9R1.41 O=C(O)C1=C(Cl)C=CS1 CS-0043862 [1,1,0,0,0,0|2,0,0]=4 67 B9R1.41 O=C(O)C1=CSC=C1Br CS-D0118 [1,1,0,0,0,0|2,0,0]=4 68 B9R1.41 O=C(O)C1=NNC=C1I CS-0018758 [1,1,0,0,0,0|0,0,0]=2 69 B11R1.3 CNC1=CC=C(C(=O)O)C=C1 CS-0029513 [0,1,0,0,0,1|2,0,0]=4 70 B11R1.3 COC1=NC=C(C(=O)O)C=C1 CS-W004797 [0,1,0,0,0,1|1,0,1]=4 71 B11R1.3 O=C(O)C1=CC=C(CO)C=C1 CS-W018100 [0,1,0,0,0,1|2,0,0]=4 72 B11R1.21 CC1=CC=C(C(=O)O)C=C1O CS-0008323 [0,1,0,0,0,1|2,0,0]=4 73 B11R1.21 CC1=NC=C(C(=O)O)C=C1Br CS-D0307 [0,1,0,0,0,1|1,0,1]=4 74 B11R1.22 COC(=O)C1=CC=C(C)C=C1 CS-0008417 [0,1,0,0,0,1|2,0,0]=4 75 B11R1.22 COC(=O)C1=CC=C(C)C=C1 CS-M1189 [0,1,0,0,0,1|2,0,0]=4 76 B11R1.22 COC(=O)C1=NC=C(Br)C=C1 CS-D0954 [0,1,0,0,0,1|2,0,0]=4 77 B11R1.22 COC(=O)C1=NC=C(Br)N=C1 CS-W019731 [0,1,0,0,0,1|2,0,0]=4 78 B11R1.22 COC(=O)C1=NC=C(O)C=C1 CS-W005963 [0,1,0,0,0,1|2,0,0]=4 79 B11R1.166 CC1=CC(Cl)=CN=C1C(=O)O CS-W003405 [0,1,0,0,0,1|2,0,0]=4 80 B11R1.166 CC1=CC(N)=C(C(=O)O)C=C1 CS-W004921 [0,1,0,0,0,1|2,0,0]=4 81 B11R1.166 CC1=CC=C(C(=O)O)C(I)=C1 CS-0041338 [0,1,0,0,0,1|2,0,0]=4 82 B11R1.166 CC1=CC=C(C(=O)O)C(O)=C1 CS-W009192 [0,1,0,0,0,1|2,0,0]=4 83 B11R1.166 CC1=NC=C(C(=O)O)C(N)=N1 CS-0083914 [0,1,0,0,0,1|1,0,1]=4 84 B11R1.74 CC1=CC(C(=O)O)=CC(Br)=C1 CS-W014908 [0,1,0,0,0,1|2,0,0]=4 85 B11R1.74 O=C(O)C1=CC(Cl)=CC(Cl)=N1 CS-W018783 [0,1,0,0,0,1|2,0,0]=4 86 B11R1.155 CC1=CC(S(=O)(=O)O)=CN=C1 CS-0043755 [0,1,0,0,0,1|2,0,0]=4 87 B11R1.159 CC1=C(Br)C(C(=O)O)=CC=C1 CS-W007601 [0,1,0,0,0,1|2,0,0]=4 88 B11R1.159 CC1=CC=CC(C(=O)O)=C1C CS-M0913 [0,1,0,0,0,1|2,0,0]=4 89 B11R1.167 CC1=CC(C(=O)O)=C(C)C=C1 CS-W018147 [0,1,0,0,0,1|2,0,0]=4 90 B11R1.167 CC1=CC(C(=O)O)=C(Cl)C=C1 CS-W008213 [0,1,0,0,0,1|2,0,0]=4 91 B11R1.167 CC1=CC(C(=O)O)=C(Cl)N=C1 CS-W017642 [0,1,0,0,0,1|1,0,0]=3 92 B11R1.167 CC1=CC(C(=O)O)=C(N)C=C1 CS-W002036 [0,1,0,0,0,1|2,0,0]=4 93 B11R1.167 CC1=CN=C(C)C(C(=O)O)=N1 CS-0005514 [0,1,0,0,0,1|2,0,0]=4 94 B11R1.167 O=C(O)C1=C(O)N=CC(Br)=C1 CS-B0860 [0,1,0,0,0,1|2,0,0]=4 95 B11R1.167 O=C(O)C1=CC(Br)=CN=C1Cl CS-D1733 [0,1,0,0,0,1|2,0,0]=4 96 B11R1.167 O=C(O)C1=CC(Cl)=NN=C1Cl CS-W001153 [0,1,0,0,0,1|1,0,1]=4 97 B11R1.266 CSC1=CC=CC(C(=O)O)=C1 CS-W010791 [0,1,0,0,0,1|2,0,0]=4 98 B11R1.266 NCC1=CC(C(=O)O)=CC=C1 CS-W001871 [0,1,0,0,0,1|2,0,0]=4 99 B11R1.15 CCOC(=O)C1=CNC(C)=C1 CS-0103971 [0,2,0,0,0,0|1,0,0]=3 100 B11R1.15 CCOC(=O)C1=NN=C(C)N1 CS-W009072 [0,2,0,0,0,0|1,0,1]=4 101 B11R1.15 CCOC(=O)C1=NNC(Br)=N1 CS-W003749 [0,2,0,0,0,0|2,0,0]=4 102 B11R1.225 COC(=O)C1=C(N)SC(C)=C1 CS-0036595 [0,2,0,0,0,0|2,0,0]=4 103 B11R1.48 CCN1N=C(C(=O)O)C=C1C CS-0041556 [0,2,0,0,0,0|0,0,0]=2 104 B11R1.175 O=C(O)C1=CC(C(=O)O)=NN1 CS-D0468 [0,2,0,0,0,0|0,0,1]=3 105 B9R1.6 O=C(O)C1=NN=CC=C1 CS-W004823 [0,0,1,1,0,0|0,0,2]=4 106 B9R1.2 CC1=CC(C=O)=NC=C1 CS-W008908 [1,0,0,0,0,1|1,0,0]=3 107 B9R1.2 CC1=CN=CC(C=O)=C1 CS-W019763 [1,0,0,0,0,1|1,0,0]=3 108 B9R1.13 O=C(O)CC1=NNC=C1 CS-D0036 [1,0,0,0,0,1|0,0,0]=2 109 B11R1.20 CC1=CC=C(CC(=O)O)C=C1 CS-W008979 [0,0,0,0,0,2|2,0,0]=4 110 B11R1.157 CC1=CC(CC(=O)O)=CC=C1 CS-0046111 [0,0,0,0,0,2|2,0,0]=4