0 B8R1.18 O=C1N(C)SC(Cl)=C1 M10285798P [0,0,0,0,0,0|4,0,0]=4 1 B8R1.18 O=C1NC(CN1C)=O M10016204P [0,0,0,0,0,0|1,0,0]=1 2 B7R1.2 N[C@H]1COC(C1)=O M10174878P [1,0,0,0,0,0|2,0,1]=4 3 B7R1.2 O=C1CC(CC1)=O M10058164P [1,0,0,0,0,0|2,0,0]=3 4 B7R1.2 O=C1CN(C)CC1 M10472463P [1,0,0,0,0,0|2,0,1]=4 5 B7R1.2 O=C1N=C(N)SC1 M10014084P [1,0,0,0,0,0|2,0,1]=4 6 B7R1.2 O=C1N=C(N)SC1 M10040985P [1,0,0,0,0,0|2,0,1]=4 7 B7R1.2 O=C1NC(C)=CN1 M10028708P [1,0,0,0,0,0|1,0,1]=3 8 B7R1.2 O=C1NC(CC1)=O M10004579P [1,0,0,0,0,0|1,0,0]=2 9 B7R1.2 O=C1NCC(O1)=O M10040935P [1,0,0,0,0,0|1,0,0]=2 10 B7R1.2 O=C1OC(C)=CC1 M10015036P [1,0,0,0,0,0|3,0,0]=4 11 B7R1.4 O=C1NCCC1O M10135336P [1,0,0,0,0,0|2,0,1]=4 12 B7R1.4 O=C1NCC[C@@H]1N M10060287P [1,0,0,0,0,0|1,0,1]=3 13 B7R1.4 O=C1NCC[C@@H]1N M10288485P [1,0,0,0,0,0|1,0,1]=3 14 B7R1.4 O=C1NCC[C@H]1O M10468150P [1,0,0,0,0,0|2,0,1]=4 15 B9R1.37 O=C1C(Br)=C(Br)C(N1)=O M10027257P [0,1,0,0,0,0|2,0,1]=4 16 B9R1.38 O=C1NC(C(O1)(C)C)=O M10018657P [0,1,0,0,0,0|3,0,0]=4 17 B7R0.2 O=C(NC(C)C)CN M10428027P [0,0,1,0,0,0|2,0,1]=4 18 B7R0.5 C=CC[C@@H](N)C(O)=O M10668722P [0,0,1,0,0,0|3,0,0]=4 19 B7R0.5 C=CC[C@H](N)C(O)=O M10826425P [0,0,1,0,0,0|3,0,0]=4 20 B7R0.7 O=C(OCC)CNN M10098052P [0,0,1,0,0,0|2,0,1]=4 21 B9R2.25 O=C1OC(C2CC12)=O M10078252P [0,0,0,1,0,0|3,0,0]=4 22 B9R1.34 O=C1CC(CC(C)C1)=O M10062153P [0,0,0,0,0,1|3,0,0]=4 23 B9R1.69 O=C1C(N)=CC(C)=CN1 M10264699P [0,0,0,0,0,1|2,0,1]=4 24 B9R1.69 O=C1C(N)CCC(N1)=O M10042789P [0,0,0,0,0,1|1,0,0]=2 25 B9R1.69 O=C1C(N)CCC(N1)=O M11187066P [0,0,0,0,0,1|1,0,0]=2 26 B9R1.69 O=C1N=C(N)C(Br)=CN1 M10041646P [0,0,0,0,0,1|3,0,0]=4 27 B9R1.69 O=C1N=C(N)C(I)=CN1 M10027270P [0,0,0,0,0,1|3,0,0]=4 28 B9R1.69 O=C1NC(C(=NN1)C)=O M10023478P [0,0,0,0,0,1|3,0,0]=4 29 B9R1.69 O=C1NN=C(C)CN1N M10786311P [0,0,0,0,0,1|1,0,0]=2 30 B6R0.1 CCCC(NN)=O M10055378P [1,0,1,0,0,0|1,0,1]=4 31 B6R0.2 CC(CC(C)=O)=O M10123299P [1,0,1,0,0,0|2,0,0]=4 32 B6R0.2 CC(NC(N)=N)=O M10079352P [1,0,1,0,0,0|1,0,0]=3 33 B6R0.2 O=C(N)CC(N)=N M10224228P [1,0,1,0,0,0|2,0,0]=4 34 B6R0.4 O=C(N)NCCO M10039744P [1,0,1,0,0,0|0,0,2]=4 35 B6R0.3 O=C(N)N(C)N=O M10018346P [1,0,1,0,0,0|2,0,0]=4 36 B6R1.2 NN1N=CC=C1 M10059159P [2,0,0,0,0,0|2,0,0]=4 37 B6R1.2 O=C1CNCC1 M10002481P [2,0,0,0,0,0|1,0,1]=4 38 B6R1.2 O=C1CNCC1 M10057424P [2,0,0,0,0,0|1,0,1]=4 39 B6R1.2 O=C1NCNC1 M10035055P [2,0,0,0,0,0|0,0,1]=3 40 B6R1.2 O=C1NCNC1 M10140916P [2,0,0,0,0,0|0,0,1]=3 41 B6R1.2 O=C1NNC=N1 M10023357P [2,0,0,0,0,0|1,0,1]=4 42 B6R1.2 O=C1SCCN1 M10046694P [2,0,0,0,0,0|1,0,1]=4 43 B8R0.23 NC(CC([O-])=O)C([O-])=O M10131058P [0,1,1,0,0,0|2,0,0]=4 44 B8R0.23 N[C@@H](CC(O)=O)C([O-])=O M12276677P [0,1,1,0,0,0|2,0,0]=4 45 B8R0.23 O=C([O-])CC(N)C(O)=O M10023113P [0,1,1,0,0,0|2,0,0]=4 46 B8R0.23 O=C([O-])[C@@H](N)CC(O)=O M10238865P [0,1,1,0,0,0|2,0,0]=4 47 B8R0.23 O=C([O-])[C@@H](N)CC([O-])=O M10026968P [0,1,1,0,0,0|2,0,0]=4 48 B8R0.23 O=C([O-])[C@@H](N)CC([O-])=O M10057709P [0,1,1,0,0,0|2,0,0]=4 49 B8R1.1 O=C1NCC(CN)C1 M10938946P [1,1,0,0,0,0|1,0,1]=4 50 B8R1.50 O=C1C=CC(N1C)=O M10023388P [1,1,0,0,0,0|1,0,1]=4 51 B8R1.50 O=C1CCC(N1Br)=O M10004790P [1,1,0,0,0,0|1,0,0]=3 52 B10R1.339 O=C1NC(C(N1C)(C)C)=O M10096717P [0,2,0,0,0,0|1,0,0]=3 53 B8R1.23 O=C(C1CC(N1)=O)O M10633721P [0,0,1,1,0,0|2,0,0]=4 54 B8R1.3 O=C1C=CC(N)=CN1 M10221098P [1,0,0,0,0,1|1,0,1]=4 55 B8R1.3 O=C1CCC(C)=NN1 M10069197P [1,0,0,0,0,1|2,0,0]=4 56 B8R1.3 O=C1CNC(CN1)=O M10003356P [1,0,0,0,0,1|0,0,0]=2