0 B7R0.3 COC(=O)CCC=O ACT08469 [0,0,0,0,0,0|3,0,0]=3 1 B7R0.3 COC(=O)CCSC ACT06346 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.1 CCCC(=O)SC ACT06405 [1,0,0,0,0,0|1,0,2]=4 3 B6R0.1 CCOC(=O)CBr ACT01957 [1,0,0,0,0,0|1,1,1]=4 4 B6R0.1 CCOC(=O)CN ACT03311 [1,0,0,0,0,0|1,1,1]=4 5 B6R0.1 CNCC(=O)OC ACT07185 [1,0,0,0,0,0|2,0,1]=4 6 B6R0.1 COC(=O)CCN ACT07866 [1,0,0,0,0,0|2,0,1]=4 7 B6R0.4 CC(=O)CCCO ACT07203 [1,0,0,0,0,0|2,0,1]=4 8 B6R0.4 CC(=O)NCCCl ACT10150 [1,0,0,0,0,0|2,0,1]=4 9 B6R0.4 CCCSC(=O)C ACT06394 [1,0,0,0,0,0|0,0,2]=3 10 B6R0.6 C=CCCCCCl ACT10617 [1,0,0,0,0,0|2,0,1]=4 11 B6R0.6 C=CCCCCO ACT10087 [1,0,0,0,0,0|2,0,1]=4 12 B6R0.6 C=CCSCC=C ACT06160 [1,0,0,0,0,0|0,0,3]=4 13 B6R0.6 CSSSCC=C ACT06482 [1,0,0,0,0,0|2,0,0]=3 14 B8R0.1 CCOC(=O)CCCBr ACT03470 [0,1,0,0,0,0|2,0,1]=4 15 B8R0.1 CCOC(=O)CCSC ACT06366 [0,1,0,0,0,0|2,0,1]=4 16 B8R0.1 CCOC(=O)NCCCl ACT09961 [0,1,0,0,0,0|2,0,1]=4 17 B8R0.9 C(C(=O)NCC(=O)O)N ACT05216 [0,1,0,0,0,0|3,0,0]=4 18 B8R1.1 C1CC(=O)N[C@@H]1CO ACT04172 [0,0,0,1,0,0|2,0,1]=4 19 B8R1.1 C1CC(=O)N[C@H]1CO ACT04367 [0,0,0,1,0,0|2,0,1]=4 20 B8R1.3 C1CC(=O)NCC1O ACT09193 [0,0,0,1,0,0|2,0,1]=4 21 B8R1.3 C1CC(=O)NC[C@H]1O ACT09390 [0,0,0,1,0,0|2,0,1]=4 22 B8R1.3 CN1CCC(=O)CC1 ACT04210 [0,0,0,1,0,0|2,0,1]=4 23 B8R1.5 CC1CNCCC1=O ACT09743 [0,0,0,1,0,0|2,0,1]=4 24 B8R1.5 Cc1ccc[nH]c1=O ACT01511 [0,0,0,1,0,0|1,0,2]=4 25 B5R0.1 CCSC(=O)C ACT06390 [2,0,0,0,0,0|0,0,1]=3 26 B5R0.2 C=CCCC=C ACT05312 [2,0,0,0,0,0|1,0,1]=4 27 B5R0.2 C=CCCCBr ACT10075 [2,0,0,0,0,0|1,0,1]=4 28 B5R0.2 C=CCCCO ACT03061 [2,0,0,0,0,0|1,0,1]=4 29 B5R0.2 CCSSCC ACT06136 [2,0,0,0,0,0|1,0,1]=4 30 B5R0.2 CSSCC=C ACT06216 [2,0,0,0,0,0|1,0,0]=3 31 B5R0.3 CCC(C=C)O ACT06029 [2,0,0,0,0,0|0,0,2]=4 32 B5R0.3 COC(=O)CBr ACT01939 [2,0,0,0,0,0|1,1,0]=4 33 B5R0.3 COC(=O)CN ACT08376 [2,0,0,0,0,0|1,1,0]=4 34 B7R0.2 COC(=O)CC(=S)N ACT08599 [1,1,0,0,0,0|2,0,0]=4 35 B7R0.5 CCOC(=O)C(C)Br ACT02065 [1,1,0,0,0,0|0,1,1]=4 36 B7R0.5 CCOC(=O)C(C)Cl ACT02803 [1,1,0,0,0,0|0,1,1]=4 37 B7R0.5 CCOC(=O)C(C)N ACT08470 [1,1,0,0,0,0|0,1,1]=4 38 B7R0.5 CCOC(=O)[C@H](C)N ACT00044 [1,1,0,0,0,0|0,1,1]=4 39 B7R0.7 CCOC(=O)CCN ACT00057 [1,1,0,0,0,0|0,1,1]=4 40 B7R0.7 CCOC(=O)CNC ACT08249 [1,1,0,0,0,0|0,1,1]=4 41 B7R0.7 CCOC(=O)C[N+]#[C-] ACT02731 [1,1,0,0,0,0|1,0,1]=4 42 B7R0.6 CC(=O)CCC(=O)C ACT02799 [1,1,0,0,0,0|1,0,1]=4 43 B7R0.6 CC(=O)NCC(=O)O ACT08307 [1,1,0,0,0,0|2,0,0]=4 44 B7R0.1 C=CCSSCC=C ACT06167 [1,1,0,0,0,0|1,0,1]=4 45 B7R0.1 CCC=CC=CC=O ACT06050 [1,1,0,0,0,0|1,0,1]=4 46 B7R0.1 CCCSSCC=C ACT06226 [1,1,0,0,0,0|0,0,1]=3 47 B7R1.1 CCc1ccco1 ACT06582 [1,0,0,1,0,0|0,0,2]=4 48 B7R1.1 COc1cccs1 ACT11607 [1,0,0,1,0,0|2,0,0]=4 49 B7R1.2 C1CC(=O)OC1=O ACT11409 [1,0,0,1,0,0|1,1,0]=4 50 B7R1.3 C1CNCCC1=O ACT02123 [1,0,0,1,0,0|1,0,1]=4 51 B7R1.3 C1COCCC1=O ACT01867 [1,0,0,1,0,0|1,0,1]=4 52 B7R1.4 CC1C(=O)CCO1 ACT06568 [1,0,0,1,0,0|1,0,1]=4 53 B7R1.4 CC1C(=O)CCS1 ACT06593 [1,0,0,1,0,0|1,0,1]=4 54 B7R1.4 Cc1ccsc1Br ACT02266 [1,0,0,1,0,0|1,0,1]=4 55 B9R1.33 C=CCN1CCCC1=O ACT09428 [0,1,0,1,0,0|1,0,0]=3 56 B9R1.35 C1CC(=O)N[C@@H]1C(=O)O ACT09037 [0,1,0,1,0,0|2,0,0]=4 57 B9R2.39 C1C2C=CC1NC2=O ACT05289 [0,0,0,2,0,0|1,0,0]=3