0 B7R0.3 COC(=O)\C=C\CBr M1565 [1,0,0,0,0,0|1,0,0]=2 1 B7R0.4 CC(=O)CCCCCl C18888 [1,0,0,0,0,0|1,0,2]=4 2 B7R0.4 CCO\C=C\C(=N)N E16866 [1,0,0,0,0,0|3,0,0]=4 3 B9R0.8 COC(=O)[C@@H](N)CCSC M5535 [0,1,0,0,0,0|1,0,2]=4 4 B9R1.2 COC1=NC(C)=CC=C1 M2706 [0,0,0,1,0,0|1,0,2]=4 5 B9R1.2 COC1=NC(C)=CC=C1 M2706 [0,0,0,1,0,0|1,0,2]=4 6 B9R1.11 COC(=O)C1=CNC=N1 M12811 [0,0,0,1,0,0|2,0,1]=4 7 B9R1.11 COC(=O)C1=NNC=C1 P14852 [0,0,0,1,0,0|2,0,1]=4 8 B9R1.11 COC(=O)[C@@H]1CCCN1 P7690 [0,0,0,1,0,0|1,0,1]=3 9 B9R1.11 COC(=O)[C@H]1CCCN1 P7691 [0,0,0,1,0,0|1,0,1]=3 10 B9R1.88 COC(=O)[C@H]1O[C@@H]1CO M6398 [0,0,0,1,0,0|2,0,1]=4 11 B6R0.1 C=CC(=O)CCC H17062 [2,0,0,0,0,0|1,0,1]=4 12 B6R0.1 CNCC(=O)OC M5408 [2,0,0,0,0,0|1,0,0]=3 13 B6R0.1 [C-]#[N+]CC(=O)OC M14376 [2,0,0,0,0,0|1,0,1]=4 14 B6R0.4 CC\C=C\C(=N)N P16911 [2,0,0,0,0,0|2,0,0]=4 15 B6R0.4 NCCCC(=O)O A19243 [2,0,0,0,0,0|1,0,1]=4 16 B8R0.3 COC(=O)C(Br)CCBr M18995 [1,1,0,0,0,0|1,0,1]=4 17 B8R0.3 COC(=O)C(Br)CCBr M18995 [1,1,0,0,0,0|1,0,1]=4 18 B8R0.3 COC(=O)C(N)CCBr M13176 [1,1,0,0,0,0|1,0,1]=4 19 B8R0.3 COC(=O)[C@@H](N)CCBr M13187 [1,1,0,0,0,0|1,0,1]=4 20 B8R0.5 CCCC(N)CC(=O)O A14453 [1,1,0,0,0,0|0,0,2]=4 21 B8R0.5 CCO\C(N)=C\C(=O)O A15455 [1,1,0,0,0,0|1,0,0]=3 22 B8R1.38 COC(=O)C1CCN1 M19139 [1,0,0,1,0,0|1,0,1]=4 23 B8R1.7 O=C(O)C1CCCN1 P6294 [1,0,0,1,0,0|1,0,1]=4 24 B8R1.7 O=C(O)[C@@H]1CCCO1 T3062 [1,0,0,1,0,0|1,0,1]=4 25 B8R1.7 O=C(O)[C@H]1CCCN1 P0396 [1,0,0,1,0,0|1,0,1]=4 26 B8R1.7 O=C(O)[C@H]1CCCN1 P0396 [1,0,0,1,0,0|1,0,1]=4 27 B8R1.7 O=C(O)[C@H]1CCCO1 T6625 [1,0,0,1,0,0|1,0,1]=4 28 B8R1.7 O=C(O)[C@H]1CCCO1 T6625 [1,0,0,1,0,0|1,0,1]=4 29 B10R1.14 COC(=O)C1=COC(C)=N1 M3673 [0,1,0,1,0,0|1,0,1]=4 30 B10R1.14 COC(=O)[C@@H]1C[C@@H](O)CN1 H8259 [0,1,0,1,0,0|1,0,1]=4 31 B10R1.15 COC(=O)C1CCCCN1 M11624 [0,1,0,1,0,0|0,0,2]=4 32 B10R1.15 COC(=O)C1CCCNC1 P15955 [0,1,0,1,0,0|0,0,2]=4 33 B10R1.15 COC(=O)C1CCNCC1 M11619 [0,1,0,1,0,0|0,0,2]=4 34 B10R1.15 COC(=O)C1CCNCC1 M11619 [0,1,0,1,0,0|0,0,2]=4 35 B10R1.15 COC(=O)C1CNCCN1 P11655 [0,1,0,1,0,0|1,0,1]=4 36 B10R1.15 COC(=O)C1CNCCN1 P17147 [0,1,0,1,0,0|1,0,1]=4 37 B10R1.15 COC(=O)C1CNCCN1 P17147 [0,1,0,1,0,0|1,0,1]=4 38 B10R1.15 COC(=O)C1COCCN1 M13385 [0,1,0,1,0,0|1,0,1]=4 39 B10R1.15 COC(=O)[C@H]1CCCNC1 M10946 [0,1,0,1,0,0|0,0,2]=4 40 B10R1.15 COC(=O)[C@H]1CCCNC1 M18788 [0,1,0,1,0,0|0,0,2]=4 41 B10R1.15 COC(=O)[C@H]1CCCNC1 M18788 [0,1,0,1,0,0|0,0,2]=4 42 B10R1.15 COC(=O)[C@H]1COCCN1 M13391 [0,1,0,1,0,0|1,0,1]=4 43 B10R1.411 COC(=O)C1(N)CCCC1 M13175 [0,1,0,1,0,0|0,0,2]=4 44 B10R1.473 CCC1(C)COC(=O)OC1 E17050 [0,1,0,1,0,0|1,0,1]=4 45 B10R1.149 COC(=O)C1=C(C)C=CO1 M4783 [0,1,0,1,0,0|0,0,2]=4 46 B10R1.149 COC(=O)C1=C(C)N=CS1 M7444 [0,1,0,1,0,0|1,0,1]=4