0 B5R0.3 CCC(=N)NO CS-D0340 [0,0,0,0,0,0|4,0,0]=4 1 B5R0.3 COC(C)CO CS-W011348 [0,0,0,0,0,0|2,0,2]=4 2 B5R0.3 NNC(=O)CO CS-W006527 [0,0,0,0,0,0|3,0,1]=4 3 B4R0.1 CC(=N)NO CS-W008635 [1,0,0,0,0,0|3,0,0]=4 4 B4R0.1 CC(=O)CN CS-W004850 [1,0,0,0,0,0|1,0,1]=3 5 B4R0.1 CC(=O)CO CS-0017823 [1,0,0,0,0,0|1,0,1]=3 6 B4R0.1 CCC(=N)N CS-W019290 [1,0,0,0,0,0|3,0,0]=4 7 B4R0.1 CCS(=O)[O-] CS-0020098 [1,0,0,0,0,0|3,0,0]=4 8 B4R0.1 N=C(O)CBr CS-W007330 [1,0,0,0,0,0|2,0,1]=4 9 B4R0.1 N=C(O)CO CS-W016686 [1,0,0,0,0,0|2,0,1]=4 10 B6R0.1 CC#CC(=O)OC CS-0066219 [0,1,0,0,0,0|0,0,2]=3 11 B6R0.1 CCOC(=O)C#N CS-0022374 [0,1,0,0,0,0|1,0,1]=3 12 B6R0.1 CCOC(=O)CO CS-W019892 [0,1,0,0,0,0|1,0,1]=3 13 B6R0.1 CCO\C(O)=N\N CS-W008412 [0,1,0,0,0,0|2,0,1]=4 14 B6R0.1 CNC(=O)CC#N CS-W018827 [0,1,0,0,0,0|1,0,2]=4 15 B6R0.1 COC(=O)C#CBr CS-0043861 [0,1,0,0,0,0|0,0,2]=3 16 B6R0.1 COC(=O)CCBr CS-W008728 [0,1,0,0,0,0|0,0,2]=3 17 B6R0.1 COC(=O)\C=C\I CS-0042162 [0,1,0,0,0,0|0,0,0]=1 18 B6R0.3 CC(C)C(=O)NN CS-0053723 [0,1,0,0,0,0|3,0,0]=4 19 B6R0.3 CN(C)C(=O)CBr CS-W017882 [0,1,0,0,0,0|2,0,1]=4 20 B6R0.3 CN(C)C(=O)CN CS-0041045 [0,1,0,0,0,0|2,0,1]=4 21 B6R0.3 COC(=O)C(C)N CS-W011040 [0,1,0,0,0,0|0,0,2]=3 22 B6R0.3 COC(=O)[C@H](C)N CS-W008772 [0,1,0,0,0,0|0,0,2]=3 23 B6R0.3 [C@@H](C)(Cl)C(=O)OC CS-W011191 [0,1,0,0,0,0|0,0,2]=3 24 B6R0.3 [C@H](C)(N)C(=O)OC CS-W007986 [0,1,0,0,0,0|0,0,2]=3 25 B6R1.2 CC1=CC=CS1 CS-W011331 [0,0,0,1,0,0|1,1,1]=4 26 B6R1.2 ClC1=NNC=C1 CS-W021893 [0,0,0,1,0,0|3,0,0]=4 27 B6R1.2 IC1=NNC=C1 CS-D0881 [0,0,0,1,0,0|3,0,0]=4 28 B6R1.2 NC1=CC=NN1 CS-0032811 [0,0,0,1,0,0|3,0,0]=4 29 B6R1.2 O=C1C=CCC1 CS-W011359 [0,0,0,1,0,0|1,0,0]=2 30 B6R1.2 O=C1C=CCO1 CS-W008270 [0,0,0,1,0,0|0,0,0]=1 31 B6R1.2 O=C1C=CNN1 CS-W004179 [0,0,0,1,0,0|2,0,0]=3 32 B6R1.2 O=C1CCOC1 CS-D1574 [0,0,0,1,0,0|2,0,1]=4 33 B6R1.2 O=C1NCCS1 CS-W023026 [0,0,0,1,0,0|1,1,1]=4 34 B3R0.1 CNOC CS-D1361 [2,0,0,0,0,0|1,0,1]=4 35 B3R0.2 CC(=O)[O-] CS-0084981 [2,0,0,0,0,0|1,0,0]=3 36 B3R0.2 CC(N)=S CS-W018499 [2,0,0,0,0,0|1,1,0]=4 37 B3R0.2 CS(=O)[O-] CS-0019422 [2,0,0,0,0,0|2,0,0]=4 38 B3R0.2 O=C([O-])[O-] CS-B1764 [2,0,0,0,0,0|1,0,1]=4 39 B5R0.1 CC#CC(=O)O CS-W007936 [1,1,0,0,0,0|0,0,2]=4 40 B5R0.1 CC(=O)CC#N CS-W020196 [1,1,0,0,0,0|0,0,2]=4 41 B5R0.1 CC(=O)CCCl CS-W022162 [1,1,0,0,0,0|0,0,2]=4 42 B5R0.1 CCOC(=N)N CS-W019160 [1,1,0,0,0,0|2,0,0]=4 43 B5R0.1 CCOC(=S)[S-] CS-W020193 [1,1,0,0,0,0|1,1,0]=4 44 B5R0.1 CNCC(=O)O CS-W013507 [1,1,0,0,0,0|0,0,2]=4 45 B5R0.1 COCC(=O)O CS-W020123 [1,1,0,0,0,0|1,0,0]=3 46 B5R0.1 C\C(N)=C\C#N CS-0005803 [1,1,0,0,0,0|1,0,1]=4 47 B5R0.1 O=C(O)\C=C\Br CS-0063842 [1,1,0,0,0,0|0,0,0]=2 48 B5R0.5 C=C(F)C(=O)O CS-W005285 [1,1,0,0,0,0|0,0,0]=2 49 B5R0.5 CC(=O)C(=O)[O-] CS-W016629 [1,1,0,0,0,0|1,0,0]=3 50 B5R0.5 C[C@@H](Cl)C(=O)O CS-0022394 [1,1,0,0,0,0|0,0,2]=4 51 B5R0.5 C[C@@H](N)C(N)=O CS-W022738 [1,1,0,0,0,0|2,0,0]=4 52 B5R0.5 O=C(O)C(=O)O CS-W004907 [1,1,0,0,0,0|1,0,0]=3 53 B5R0.2 C=CCCCBr CS-W018483 [1,1,0,0,0,0|1,0,1]=4 54 B7R0.2 C=C\C(O)=N\C(C)C CS-W011259 [0,2,0,0,0,0|1,0,1]=4 55 B7R0.2 COC(=O)CC(=O)O CS-W007829 [0,2,0,0,0,0|0,0,1]=3 56 B7R0.2 COC(=O)CC(=O)[O-] CS-M3561 [0,2,0,0,0,0|0,0,1]=3 57 B7R0.2 [C@H](C)(O)CC(=O)OC CS-W011223 [0,2,0,0,0,0|0,0,2]=4 58 B7R0.3 COC(=O)CCCBr CS-W004701 [0,2,0,0,0,0|0,0,2]=4 59 B7R0.3 COC(=O)CCCCl CS-0001466 [0,2,0,0,0,0|0,0,2]=4 60 B7R0.5 CCOC(=O)C(=O)[O-] CS-0046170 [0,2,0,0,0,0|1,0,0]=3 61 B7R0.5 CCOC(=O)C(N)=S CS-M2164 [0,2,0,0,0,0|1,0,0]=3 62 B7R0.5 CCOC(=O)[C@@H](C)N CS-W018066 [0,2,0,0,0,0|0,0,2]=4 63 B7R0.7 CC#CC(=O)OCC CS-W009547 [0,2,0,0,0,0|0,0,2]=4 64 B7R0.7 CCOC(=O)CCBr CS-W007449 [0,2,0,0,0,0|0,0,2]=4 65 B7R0.7 CCOC(=O)CNC CS-W020595 [0,2,0,0,0,0|0,0,2]=4 66 B7R0.10 C=C(CBr)C(=O)OC CS-W017298 [0,2,0,0,0,0|0,0,0]=2 67 B7R0.10 CC[C@@H](N)C(=O)OC CS-0059300 [0,2,0,0,0,0|0,0,2]=4 68 B7R0.10 COC(=O)C(=O)CBr CS-W008779 [0,2,0,0,0,0|0,0,1]=3 69 B7R0.10 COC(=O)C(Cl)CCl CS-W017982 [0,2,0,0,0,0|0,0,2]=4 70 B7R0.10 COC(=O)C(N)CO CS-W014338 [0,2,0,0,0,0|0,0,2]=4 71 B7R0.10 COC(=O)[C@@H](C)CO CS-W023098 [0,2,0,0,0,0|0,0,2]=4 72 B7R0.10 COC(=O)[C@H](N)CS CS-W020211 [0,2,0,0,0,0|0,0,2]=4 73 B7R0.10 [C@@H](N)(CO)C(=O)OC CS-W016249 [0,2,0,0,0,0|0,0,2]=4 74 B5R1.2 O=C1CNC1 CS-W019264 [1,0,0,1,0,0|1,0,1]=4 75 B5R1.2 O=C1COC1 CS-M1912 [1,0,0,1,0,0|1,0,1]=4 76 B5R1.2 O=C1CSC1 CS-B0978 [1,0,0,1,0,0|1,0,1]=4 77 B7R1.1 COC1=CSC=C1 CS-W008023 [0,1,0,1,0,0|0,1,0]=3 78 B7R1.1 COC1=NC=CS1 CS-W005816 [0,1,0,1,0,0|0,1,0]=3 79 B7R1.1 N#CC1=CC=CO1 CS-W016667 [0,1,0,1,0,0|1,0,1]=4 80 B7R1.1 O=CC1=CNC=C1 CS-D1061 [0,1,0,1,0,0|2,0,0]=4 81 B7R1.1 O=CC1=COC=C1 CS-M0782 [0,1,0,1,0,0|2,0,0]=4 82 B7R1.1 OCC1=CC=NO1 CS-D0212 [0,1,0,1,0,0|1,0,1]=4 83 B7R1.2 CC1=CC=C(Br)S1 CS-W017381 [0,1,0,1,0,0|1,1,0]=4 84 B7R1.2 CN1C=CC(O)=N1 CS-W004808 [0,1,0,1,0,0|1,0,1]=4 85 B7R1.2 C[C@H]1COC(=O)O1 CS-W011314 [0,1,0,1,0,0|0,0,2]=4 86 B7R1.2 NC1=CC(=O)NN1 CS-W005676 [0,1,0,1,0,0|2,0,0]=4 87 B7R1.2 N[C@@H]1COC(=O)C1 CS-W009169 [0,1,0,1,0,0|0,0,2]=4 88 B7R1.2 O=C1CCC(=O)C1 CS-D0815 [0,1,0,1,0,0|1,0,1]=4 89 B7R1.3 O=C1C=NC=CN1 CS-W013733 [0,1,0,1,0,0|1,0,1]=4 90 B7R1.3 O=C1COCCN1 CS-D1427 [0,1,0,1,0,0|1,0,1]=4 91 B7R1.3 O=C1COCCO1 CS-0031423 [0,1,0,1,0,0|0,0,2]=4 92 B7R1.3 O=C1N=CC=CN1 CS-W002079 [0,1,0,1,0,0|1,0,1]=4 93 B7R1.3 OC1=NCCC=C1 CS-W006454 [0,1,0,1,0,0|1,0,1]=4 94 B7R1.4 CC1=C(Cl)SC=C1 CS-W013401 [0,1,0,1,0,0|2,0,0]=4 95 B7R1.4 CN1C=CN=C1Cl CS-0101166 [0,1,0,1,0,0|2,0,0]=4 96 B7R1.4 CN1C=CNC1=N CS-W004745 [0,1,0,1,0,0|2,0,0]=4 97 B7R1.4 CN1C=NC=C1I CS-W006750 [0,1,0,1,0,0|2,0,0]=4 98 B7R1.4 CN1N=CC=C1O CS-W008402 [0,1,0,1,0,0|1,0,1]=4 99 B7R1.4 N[C@H]1CCOC1=O CS-0022019 [0,1,0,1,0,0|0,0,2]=4 100 B7R1.4 O=C1CCC=C1O CS-W019237 [0,1,0,1,0,0|1,0,0]=3 101 B7R1.4 O=C1OCCC1O CS-W013699 [0,1,0,1,0,0|0,0,2]=4 102 B7R1.22 COC(=O)[C@H]1CO1 CS-B1238 [0,1,0,1,0,0|0,0,2]=4