0 B5R0.1 CCC[C@@H](C)O CS-0198768 [1,0,0,0,0,0|0,0,3]=4 1 B5R0.3 CC[C@@H](C)CO CS-0616929 [1,0,0,0,0,0|0,0,3]=4 2 B7R0.3 C=CC(=O)NCCO CS-0146430 [0,1,0,0,0,0|3,0,0]=4 3 B7R0.3 C=CC(=O)OCCN CS-0646604 [0,1,0,0,0,0|3,0,0]=4 4 B7R0.7 CCOC(=O)\C=C/I CS-0151925 [0,1,0,0,0,0|3,0,0]=4 5 B7R0.7 CCOC(=O)\C=C\F CS-0890432 [0,1,0,0,0,0|3,0,0]=4 6 B7R1.1 BrCC1=CCCC1 CS-0052832 [0,0,0,1,0,0|1,0,1]=3 7 B7R1.1 O=CC1=CC=NO1 CS-0342261 [0,0,0,1,0,0|2,0,1]=4 8 B7R1.1 O=CC1=CON=C1 CS-0071462 [0,0,0,1,0,0|2,0,1]=4 9 B7R1.1 O=CC1=NOC=C1 CS-0053739 [0,0,0,1,0,0|2,0,1]=4 10 B7R1.2 CN1C=C(F)C=N1 CS-0454976 [0,0,0,1,0,0|3,0,0]=4 11 B7R1.2 CN1C=C(N)C=N1 CS-D1698 [0,0,0,1,0,0|3,0,0]=4 12 B7R1.2 CN1C=N[N+](C)=C1 CS-0085417 [0,0,0,1,0,0|3,0,0]=4 13 B7R1.3 CC1=NCCCC1 CS-1176015 [0,0,0,1,0,0|2,0,1]=4 14 B7R1.3 O=C1C=CCCO1 CS-0037765 [0,0,0,1,0,0|3,0,0]=4 15 B7R1.4 CC1=C(Cl)SC=C1 CS-W013401 [0,0,0,1,0,0|2,0,1]=4 16 B7R1.4 CN1CNCC1=O CS-0620292 [0,0,0,1,0,0|2,0,1]=4 17 B4R0.1 C=CC(N)=O CS-0197970 [2,0,0,0,0,0|1,0,1]=4 18 B4R0.1 NC(=O)CCl CS-W011345 [2,0,0,0,0,0|2,0,0]=4 19 B4R0.1 O=C(O)CO CS-W016683 [2,0,0,0,0,0|2,0,0]=4 20 B6R0.2 CC(=O)\C=C(\C)N CS-0095595 [1,1,0,0,0,0|0,0,1]=3 21 B6R0.3 CC(=O)\C(C)=N\O CS-0015129 [1,1,0,0,0,0|2,0,0]=4 22 B6R0.3 CCC(Br)C(=O)O CS-W016049 [1,1,0,0,0,0|1,0,1]=4 23 B6R0.4 CC\C=C\[N+](=O)[O-] CS-0908789 [1,1,0,0,0,0|2,0,0]=4 24 B6R0.4 O=C(O)CCCF CS-0491783 [1,1,0,0,0,0|1,0,1]=4 25 B6R0.4 O=C(O)\C=C\CCl CS-0368704 [1,1,0,0,0,0|1,0,1]=4 26 B8R0.5 CCOC(C)SC(C)=O CS-0160359 [0,2,0,0,0,0|1,0,1]=4 27 B6R1.2 CC1=CNC=C1 CS-W016682 [1,0,0,1,0,0|1,0,1]=4 28 B6R1.2 O=C1CCCS1 CS-0120136 [1,0,0,1,0,0|1,0,0]=3 29 B6R1.4 CC1CCC1=O CS-0611562 [1,0,0,1,0,0|0,0,2]=4 30 B8R1.1 CC1=CN=C(C=O)O1 CS-0312389 [0,1,0,1,0,0|1,0,1]=4 31 B8R1.1 CC1=CNC(C=O)=C1 CS-0152852 [0,1,0,1,0,0|0,0,2]=4 32 B8R1.1 CC1=CNC(C=O)=N1 CS-0342324 [0,1,0,1,0,0|1,0,1]=4 33 B8R1.1 CC1=COC(C=O)=C1 CS-0055543 [0,1,0,1,0,0|0,0,2]=4 34 B8R1.1 CC1=CSC(CN)=N1 CS-B1096 [0,1,0,1,0,0|1,1,0]=4 35 B8R1.4 CC1=CC=CC(=O)N1 CS-W011283 [0,1,0,1,0,0|0,0,2]=4 36 B8R1.4 O=C1CCNC(=O)O1 CS-0736575 [0,1,0,1,0,0|2,0,0]=4 37 B8R1.18 CC1CC(=O)C(C)O1 CS-0784607 [0,1,0,1,0,0|1,0,1]=4 38 B8R1.18 CC1SC(N)=NC1=O CS-0664209 [0,1,0,1,0,0|2,0,0]=4 39 B8R1.18 CN1C=C(Br)C(=O)N1 CS-0638532 [0,1,0,1,0,0|2,0,0]=4 40 B8R1.2 N#CC1=CCNCC1 CS-0225094 [0,1,0,1,0,0|1,0,1]=4 41 B8R1.5 CC1=CC=NNC1=O CS-W022223 [0,1,0,1,0,0|1,0,1]=4 42 B8R1.5 CC1CCCCC1=O CS-W011265 [0,1,0,1,0,0|0,0,2]=4 43 B8R1.50 CN1CC[C@@H](N)C1=O CS-0435485 [0,1,0,1,0,0|1,0,1]=4 44 B8R1.50 O=C1OCC(Br)=C1Br CS-0092876 [0,1,0,1,0,0|2,0,0]=4 45 B8R1.7 CC(=O)[C@@H]1CCCO1 CS-0444349 [0,1,0,1,0,0|1,0,1]=4 46 B8R1.11 CC1=C(CO)SC=N1 CS-0033794 [0,1,0,1,0,0|1,1,0]=4 47 B8R1.11 COC1CCCC1=O CS-0432948 [0,1,0,1,0,0|0,0,2]=4