0 B9R1.11 CCC(=O)c1ccc[nH]1 B23954 [0,0,0,0,0,0|1,0,3]=4 1 B9R1.11 CCC(=O)c1ccco1 H26754 [0,0,0,0,0,0|1,1,2]=4 2 B9R1.11 CCC(=O)c1cccs1 L02318 [0,0,0,0,0,0|1,0,2]=3 3 B9R1.11 CCC(=O)c1nccs1 B21711 [0,0,0,0,0,0|0,0,2]=2 4 B9R1.11 CCC(C)c1nccs1 A13483 [0,0,0,0,0,0|1,0,3]=4 5 B9R1.11 COC(=O)C1CCCC1 L00741 [0,0,0,0,0,0|3,0,1]=4 6 B9R1.11 COC(=O)C1NCCS1 L10740 [0,0,0,0,0,0|1,0,2]=3 7 B9R1.11 COC(=O)[C@@H]1CCCN1 L19290 [0,0,0,0,0,0|2,0,2]=4 8 B9R1.11 COC(=O)[C@H]1CCCN1 L17259 [0,0,0,0,0,0|2,0,2]=4 9 B9R1.11 COC(=O)c1c[nH]cn1 H55932 [0,0,0,0,0,0|3,0,1]=4 10 B9R1.11 COC(=O)c1cc[nH]n1 H34148 [0,0,0,0,0,0|3,0,1]=4 11 B9R1.11 COC(=O)c1cccs1 A12677 [0,0,0,0,0,0|2,0,2]=4 12 B9R1.11 COC(=O)c1nc[nH]n1 B24750 [0,0,0,0,0,0|3,0,1]=4 13 B9R1.11 COC(=O)c1nccs1 H63496 [0,0,0,0,0,0|1,0,2]=3 14 B9R1.11 c1cc(sc1)C(=O)CBr H51060 [0,0,0,0,0,0|2,0,2]=4 15 B8R1.7 C1CC=C(C1)C(=O)O A13271 [1,0,0,0,0,0|3,0,0]=4 16 B8R1.7 C1CSC(N1)C(=O)O A11564 [1,0,0,0,0,0|1,0,2]=4 17 B8R1.7 C1CS[C@H](N1)C(=O)O A15033 [1,0,0,0,0,0|1,0,2]=4 18 B8R1.7 CC(=O)C1CCCC1 H64744 [1,0,0,0,0,0|2,0,1]=4 19 B8R1.7 CC(=O)c1cccs1 A13062 [1,0,0,0,0,0|1,0,2]=4 20 B8R1.7 CC(=O)c1nccs1 A11266 [1,0,0,0,0,0|0,0,2]=3 21 B8R1.7 CN(C1=NCCN1)N B24931 [1,0,0,0,0,0|3,0,0]=4 22 B8R1.7 c1csc(n1)C(=O)O H63620 [1,0,0,0,0,0|1,0,2]=4 23 B8R1.8 CCCc1nccs1 A11574 [1,0,0,0,0,0|0,0,3]=4 24 B10R1.11 CCCC(=O)c1cccs1 A15048 [0,1,0,0,0,0|1,0,2]=4 25 B10R1.11 CCOC(=O)[C@H]1CCCN1 H64910 [0,1,0,0,0,0|1,0,2]=4 26 B10R1.11 CCOC(=O)c1[n-]nnn1 B23461 [0,1,0,0,0,0|3,0,0]=4 27 B10R1.11 CCOC(=O)c1[nH]ccn1 L19405 [0,1,0,0,0,0|1,0,2]=4 28 B10R1.11 CCOC(=O)c1c[nH]cn1 H64095 [0,1,0,0,0,0|2,0,1]=4 29 B10R1.11 CCOC(=O)c1cccs1 A12302 [0,1,0,0,0,0|1,0,2]=4 30 B10R1.11 CCOC(=O)c1csnn1 A19912 [0,1,0,0,0,0|3,0,0]=4 31 B10R1.14 Cc1cnc(s1)C(=O)OC H63644 [0,1,0,0,0,0|1,0,2]=4 32 B10R1.149 COC(=O)C1C(=O)CCS1 43634 [0,1,0,0,0,0|2,0,1]=4 33 B8R0.3 CCC(=O)C(=O)OCC H66476 [0,0,1,0,0,0|1,1,0]=3 34 B8R0.3 CCOC(=O)C(=O)CBr L00582 [0,0,1,0,0,0|2,1,0]=4 35 B8R0.6 CCCCCC(=O)CC A12113 [0,0,1,0,0,0|2,0,1]=4 36 B8R0.6 CCCCOC(=O)CC B20125 [0,0,1,0,0,0|3,0,0]=4 37 B8R0.6 CCC\C=C\C(=O)OC L08030 [0,0,1,0,0,0|3,0,0]=4 38 B8R0.20 CCC(C(=O)OC)SC B22303 [0,0,1,0,0,0|2,0,1]=4 39 B10R1.15 CCC(=O)C1CCCCC1 B20409 [0,0,0,0,0,1|2,0,1]=4 40 B10R1.15 CCC(=O)c1cccnc1 L09711 [0,0,0,0,0,1|1,0,2]=4 41 B10R1.15 COC(=O)C1=CCCCC1 B25568 [0,0,0,0,0,1|3,0,0]=4 42 B7R0.3 CCC(=O)SCC=C B22532 [1,0,1,0,0,0|1,0,1]=4 43 B7R0.3 CCCCC(=O)CC A16977 [1,0,1,0,0,0|1,0,1]=4 44 B7R0.3 CCCOC(=O)CC B20680 [1,0,1,0,0,0|1,1,0]=4 45 B7R0.3 CC\C(=C\CCBr)\C L19407 [1,0,1,0,0,0|2,0,0]=4 46 B7R0.5 CCCC(=O)C(=O)C L04669 [1,0,1,0,0,0|1,1,0]=4 47 B7R0.5 CCOC(=O)C(=O)C A15045 [1,0,1,0,0,0|1,1,0]=4 48 B7R0.10 CC(C(=O)OC)SC B21979 [1,0,1,0,0,0|1,0,1]=4 49 B7R0.10 CCC(=O)C(=O)CC L06655 [1,0,1,0,0,0|0,1,0]=3 50 B7R0.10 C\C=C(/C)\C(=O)OC A11964 [1,0,1,0,0,0|2,0,0]=4 51 B7R0.1 CCCC\C=C\CC 43154 [1,0,1,0,0,0|2,0,0]=4 52 B7R0.1 CC\C=C/CCCO A16596 [1,0,1,0,0,0|1,1,0]=4 53 B7R0.4 CCC\C=C\C(=O)C A19086 [1,0,1,0,0,0|2,0,0]=4 54 B7R1.1 CC=C1CCCC1 B20209 [2,0,0,0,0,0|2,0,0]=4 55 B7R1.1 CCC1=NCCO1 B23287 [2,0,0,0,0,0|0,1,0]=3 56 B7R1.1 c1csc(n1)C=O H63329 [2,0,0,0,0,0|0,0,2]=4 57 B9R0.6 CCOC(=O)C(=O)C(C)C H53413 [0,1,1,0,0,0|1,1,0]=4 58 B9R0.35 CCNC(=O)C(=O)NCC B24167 [0,1,1,0,0,0|0,1,1]=4 59 B9R0.35 CCOC(=O)C(=O)OCC A14498 [0,1,1,0,0,0|1,1,0]=4 60 B9R0.5 CCC\C=C\C(=O)OCC A15136 [0,1,1,0,0,0|2,0,0]=4 61 B11R1.16 CCOC(=O)C1CSCCN1 H64122 [0,1,0,0,0,1|0,0,2]=4 62 B11R1.16 CCOC(=O)C1SCCCS1 L00663 [0,1,0,0,0,1|1,0,1]=4 63 B9R1.3 CC1CCCC(=O)C1=O B22623 [0,0,1,1,0,0|1,1,0]=4 64 B7R1.18 CC(=O)C1CCC1 L03521 [1,0,0,0,1,0|1,0,1]=4 65 B7R1.22 COC(=O)C1CC1 B20853 [0,0,0,0,2,0|1,0,1]=4