0 B9R1.12 CCCCc1[nH]ccn1 BC222416 [0,0,0,0,0,0|2,0,0]=2 1 B9R1.12 c1ccn(c1)CCCBr BC653419 [0,0,0,0,0,0|3,0,0]=3 2 B8R1.8 c1c(nc[nH]1)CCCl BC206376 [1,0,0,0,0,0|3,0,0]=4 3 B8R1.8 c1c(nc[nH]1)CCN BC205752 [1,0,0,0,0,0|3,0,0]=4 4 B8R1.8 c1c(nc[nH]1)CCN BC206197 [1,0,0,0,0,0|3,0,0]=4 5 B8R1.8 c1c(nc[nH]1)CCO BC678874 [1,0,0,0,0,0|3,0,0]=4 6 B10R1.11 CCOC(=O)c1ccc[nH]1 BC210795 [0,1,0,0,0,0|2,0,1]=4 7 B10R1.11 CCOC(=O)c1cccs1 BC213230 [0,1,0,0,0,0|1,1,1]=4 8 B10R1.11 c1cc(sc1)C(=O)CCCl BC206431 [0,1,0,0,0,0|1,1,1]=4 9 B10R1.11 c1cc(sc1)C(CCCl)O BC206433 [0,1,0,0,0,0|1,1,0]=3 10 B10R1.16 CCCCn1cc[n+](c1)C BC677807 [0,1,0,0,0,0|3,0,0]=4 11 B10R1.16 CCCCn1cc[n+](c1)C BC677810 [0,1,0,0,0,0|3,0,0]=4 12 B8R0.4 CCC\C=C\C=C\C=O BC218795 [0,0,1,0,0,0|0,0,2]=3 13 B10R2.7 c1[nH]c2c(n1)CCNC2 BC256291 [0,0,0,1,0,0|3,0,0]=4 14 B10R2.7 c1c2c([nH]n1)CNCC2 BC683802 [0,0,0,1,0,0|3,0,0]=4 15 B10R2.7 c1c2c(on1)CCNC2 BC682221 [0,0,0,1,0,0|2,0,0]=3 16 B10R2.7 c1csc2c1CNCC2 BC209442 [0,0,0,1,0,0|1,1,0]=3 17 B10R1.17 CNCCc1ccccn1 BC218953 [0,0,0,0,0,1|2,0,0]=3 18 B10R1.17 c1ccc(cc1)OCCBr BC209483 [0,0,0,0,0,1|3,0,0]=4 19 B10R1.17 c1ccc(cc1)OCCO BC208517 [0,0,0,0,0,1|3,0,0]=4 20 B10R1.17 c1cnccc1CCCO BC222234 [0,0,0,0,0,1|2,0,0]=3 21 B7R0.1 CC\C=C\C=C\C=O BC218794 [1,0,1,0,0,0|0,0,2]=4 22 B7R1.1 CCc1cccs1 BC210545 [2,0,0,0,0,0|0,1,0]=3 23 B7R1.1 c1cc([nH]c1)CN BC620340 [2,0,0,0,0,0|2,0,0]=4 24 B7R1.1 c1coc(n1)CCl BC670136 [2,0,0,0,0,0|2,0,0]=4 25 B9R1.11 COC(=O)c1ccco1 BC218745 [1,1,0,0,0,0|1,0,1]=4 26 B11R1.1 c1cc(ccc1CCCBr)Cl BC681641 [0,1,0,0,0,1|2,0,0]=4 27 B11R1.1 c1cc(ccc1CCCO)Br BC653959 [0,1,0,0,0,1|2,0,0]=4 28 B11R1.16 c1ccc(cc1)[C@@H](CCCl)O BC681135 [0,1,0,0,0,1|2,0,0]=4 29 B11R1.16 c1ccc(cc1)[C@H](CCCl)O BC201664 [0,1,0,0,0,1|2,0,0]=4 30 B11R1.16 c1ccc(cc1)[C@H](CCO)N BC202108 [0,1,0,0,0,1|2,0,0]=4 31 B11R1.17 CCCOc1c(cccn1)I BC643510 [0,1,0,0,0,1|2,0,0]=4 32 B11R1.17 CCCOc1c(cccn1)N BC256310 [0,1,0,0,0,1|2,0,0]=4 33 B11R1.28 c1ccc(cc1)CNCCO BC201328 [0,1,0,0,0,1|2,0,0]=4 34 B11R1.28 c1cnccc1CCCCCl BC261689 [0,1,0,0,0,1|1,0,0]=3 35 B11R1.28 c1cnccc1CCCCO BC644122 [0,1,0,0,0,1|1,0,0]=3 36 B11R1.91 CC(CCc1ccccc1)N BC653661 [0,1,0,0,0,1|1,0,0]=3 37 B11R1.29 CNCC[C@@H](c1cccs1)O BC216616 [0,2,0,0,0,0|0,1,0]=3 38 B11R2.1 c1ccc2c(c1)CCC2N BC228055 [0,0,0,1,0,1|2,0,0]=4 39 B11R2.1 c1ccc2c(c1)CCC2N BC653269 [0,0,0,1,0,1|2,0,0]=4 40 B11R2.1 c1ccc2c(c1)CC[C@@H]2N BC679090 [0,0,0,1,0,1|2,0,0]=4 41 B11R2.20 c1c2c(ncn1)CCNC2 BC682213 [0,0,0,1,0,1|2,0,0]=4 42 B11R2.20 c1c2c(ncn1)CNCC2 BC682259 [0,0,0,1,0,1|2,0,0]=4 43 B11R2.20 c1cc2c(nc1)CCCC2 BC207983 [0,0,0,1,0,1|1,0,0]=3 44 B11R2.20 c1cnc2c(n1)CCCC2 BC218761 [0,0,0,1,0,1|1,0,0]=3 45 B11R2.20 c1cncc2c1CCCC2 BC682234 [0,0,0,1,0,1|1,0,0]=3 46 B11R2.10 Cc1nc2c(o1)CCNC2 BC682274 [0,1,0,1,0,0|2,0,0]=4