0 B5R0.3 CO[C@H](C)CO CS-W011349 [0,0,0,0,0,0|2,0,2]=4 1 B4R0.1 C=NN(C)C CS-M3085 [1,0,0,0,0,0|3,0,0]=4 2 B4R0.1 COC(=N)N CS-0114088 [1,0,0,0,0,0|2,0,0]=3 3 B4R0.1 NC(=O)CI CS-0020050 [1,0,0,0,0,0|2,0,1]=4 4 B4R0.2 C=CCCN CS-0028781 [1,0,0,0,0,0|2,0,1]=4 5 B4R0.2 C=CCNN CS-0038154 [1,0,0,0,0,0|2,0,1]=4 6 B6R0.1 CCOC(=N)CC CS-0047019 [0,1,0,0,0,0|1,0,2]=4 7 B6R0.1 CNCC(=O)NC CS-0039124 [0,1,0,0,0,0|1,0,2]=4 8 B6R0.1 COC(=O)CCO CS-0022864 [0,1,0,0,0,0|0,0,2]=3 9 B6R0.3 COC(=O)C(=N)N CS-0038769 [0,1,0,0,0,0|1,0,0]=2 10 B6R0.3 CO[C@@H](C)C(=O)O CS-D0537 [0,1,0,0,0,0|2,0,1]=4 11 B6R1.2 BrC1=NNC=C1 CS-D0856 [0,0,0,1,0,0|3,0,0]=4 12 B6R1.2 BrC1=NOC=C1 CS-0039114 [0,0,0,1,0,0|3,0,0]=4 13 B6R1.2 N=C1C=CON1 CS-W007329 [0,0,0,1,0,0|3,0,0]=4 14 B6R1.2 NC1=CC=NO1 CS-W005361 [0,0,0,1,0,0|2,0,0]=3 15 B6R1.2 NC1=CSC=C1 CS-D0258 [0,0,0,1,0,0|3,0,0]=4 16 B6R1.2 O=C1C=CSN1 CS-0005502 [0,0,0,1,0,0|2,0,0]=3 17 B6R1.2 O=C1CCNC1 CS-W005267 [0,0,0,1,0,0|2,0,1]=4 18 B6R1.2 O=C1CCNN1 CS-W001151 [0,0,0,1,0,0|3,0,0]=4 19 B6R1.2 OC1=NNC=C1 CS-0044191 [0,0,0,1,0,0|2,0,1]=4 20 B6R1.2 OC1=NOC=C1 CS-0047268 [0,0,0,1,0,0|2,0,1]=4 21 B6R1.4 CC1OCC1=O CS-0051833 [0,0,0,1,0,0|2,0,1]=4 22 B3R0.2 CC(O)=S CS-0015317 [2,0,0,0,0,0|0,1,1]=4 23 B3R0.2 O=C([O-])[O-] CS-0015156 [2,0,0,0,0,0|1,0,1]=4 24 B5R0.1 C#CCC(=O)O CS-W004784 [1,1,0,0,0,0|0,0,2]=4 25 B5R0.1 C=CC[C@H](C)O CS-0081915 [1,1,0,0,0,0|0,0,2]=4 26 B5R0.5 CC(=O)C(C)N CS-0105630 [1,1,0,0,0,0|0,0,2]=4 27 B5R0.5 CC(=O)C(N)=S CS-0047258 [1,1,0,0,0,0|1,0,0]=3 28 B5R0.5 CC(O)C(=O)[O-] CS-0021602 [1,1,0,0,0,0|2,0,0]=4 29 B5R0.5 C[C@H](N)C(N)=O CS-0005782 [1,1,0,0,0,0|2,0,0]=4 30 B7R0.3 C=CC(=O)OCCBr CS-0106645 [0,2,0,0,0,0|0,0,0]=2 31 B7R0.3 COC(=O)CCC#N CS-W009546 [0,2,0,0,0,0|0,0,2]=4 32 B7R0.3 COC(=O)CCCN CS-W019991 [0,2,0,0,0,0|0,0,2]=4 33 B7R0.5 CCOC(=O)C(=O)O CS-W018770 [0,2,0,0,0,0|1,0,0]=3 34 B7R0.7 C(I)=CC(=O)OCC CS-W006336 [0,2,0,0,0,0|0,0,0]=2 35 B7R0.7 CCOC(=O)OCCl CS-W005334 [0,2,0,0,0,0|0,0,2]=4 36 B7R0.7 COCC(=O)COC CS-W007070 [0,2,0,0,0,0|0,0,2]=4 37 B7R0.10 CN[C@@H](C)C(=O)OC CS-0068182 [0,2,0,0,0,0|0,0,2]=4 38 B7R0.10 COC(=O)C(F)CO CS-0027052 [0,2,0,0,0,0|0,0,2]=4 39 B7R0.10 COC(=O)C(O)CN CS-0042395 [0,2,0,0,0,0|0,0,2]=4 40 B7R0.10 COC(=O)[C@H](O)CO CS-W023221 [0,2,0,0,0,0|0,0,2]=4 41 B5R1.2 O=C1CCN1 CS-W011364 [1,0,0,1,0,0|1,0,1]=4 42 B7R1.1 BrCC1=CC=NO1 CS-D0211 [0,1,0,1,0,0|2,0,0]=4 43 B7R1.1 CNC1=NNC=C1 CS-0047290 [0,1,0,1,0,0|2,0,0]=4 44 B7R1.1 CNC1=NOC=C1 CS-0035514 [0,1,0,1,0,0|1,0,1]=4 45 B7R1.1 O=CC1=CC=CN1 CS-D0925 [0,1,0,1,0,0|1,0,1]=4 46 B7R1.2 CC1=CC(=O)CC1 CS-W013730 [0,1,0,1,0,0|1,0,0]=3 47 B7R1.2 CN1C=CC(Cl)=N1 CS-D1270 [0,1,0,1,0,0|2,0,0]=4 48 B7R1.4 CC1=C(C)NC=C1 CS-0113700 [0,1,0,1,0,0|2,0,0]=4 49 B7R1.4 CC1=CSC=C1Br CS-W008032 [0,1,0,1,0,0|2,0,0]=4 50 B7R1.4 CN1N=CC=C1Br CS-W018563 [0,1,0,1,0,0|2,0,0]=4