0 B14R2.2 CC(=C)Cn1cnc2c1cccc2 CSC000171499 [0,0,0,0,0,0|2,0,2]=4 1 B14R2.2 NC(=O)Cn1ccc2c1cccc2 CSC011424896 [0,0,0,0,0,0|3,0,1]=4 2 B13R2.1 NCCN1CCc2c1cccc2 CSC000746702 [1,0,0,0,0,0|2,0,1]=4 3 B13R2.1 OCCn1cnc2c1cccc2 CSC011203609 [1,0,0,0,0,0|2,0,1]=4 4 B15R2.4 COC(=O)Cc1c[nH]c2c1cccn2 CSC000103237 [0,1,0,0,0,0|2,0,1]=4 5 B15R2.4 COC(=O)Cc1n[nH]c2c1cccc2 CSC000055091 [0,1,0,0,0,0|2,0,1]=4 6 B15R2.993 CC(C)Cn1c2ccccc2oc1=O CSC046535050 [0,1,0,0,0,0|3,0,0]=4 7 B15R2.9410 CC(N)CN1CCc2c1cc(cc2)Br CSC010731732 [0,1,0,0,0,0|2,0,1]=4 8 B15R2.53147 Cn1cc(c2c1cccc2)CC(=O)N CSC000056297 [0,1,0,0,0,0|1,0,1]=3 9 B13R1.201 CC(C)NC(=O)c1ccccc1N CSC000180276 [0,0,1,0,0,0|3,0,0]=4 10 B13R2.72 NC(=O)c1csc2c1cccc2 CSC000242011 [0,0,0,0,1,0|2,0,1]=4 11 B15R2.6 NC(=O)CCc1c[nH]c2c1cccc2 CSC000162151 [0,0,0,0,0,1|1,0,1]=3 12 B15R2.1668 CC(C)Sc1ccc2ccccc2c1 CSC048362076 [0,0,0,0,0,1|3,0,0]=4 13 B15R2.1668 CC(N)CN1CCc2ccccc2C1 CSC011201094 [0,0,0,0,0,1|2,0,1]=4 14 B15R2.1668 NC(=O)Cc1ccc2ccccc2c1 CSC000162105 [0,0,0,0,0,1|2,0,1]=4 15 B15R2.68122 NC(=O)Cc1cccc2c1cccc2 CSC000162161 [0,0,0,0,0,1|2,0,1]=4 16 B12R1.308 CCNC(=O)c1ccccc1N CSC000205978 [1,0,1,0,0,0|2,0,0]=4 17 B12R1.8 CCCCCNc1ccccc1 CSC000219563 [1,0,1,0,0,0|0,0,2]=4 18 B14R2.3 CCCCn1cnc2c1cccc2 CSC000185663 [1,1,0,0,0,0|1,0,1]=4 19 B14R2.3 CCNCc1cnn2c1cccc2 CSC011843896 [1,1,0,0,0,0|1,0,1]=4 20 B14R2.25733 Cn1cc(c2c1cccc2)C(=O)N CSC000206419 [0,1,0,0,1,0|1,0,1]=4 21 B16R2.14 CNC(=O)CCc1c[nH]c2c1cccc2 CSC000159791 [0,1,0,0,0,1|1,0,1]=4 22 B16R2.14 C[C@H](CN)NCc1coc2c1cccc2 CSC013510049 [0,1,0,0,0,1|1,0,0]=3 23 B16R2.14 C[C@H](CN)NCc1csc2c1cccc2 CSC013510226 [0,1,0,0,0,1|1,0,0]=3 24 B16R2.14 C[C@H](CO)NCc1csc2c1cccc2 CSC011492860 [0,1,0,0,0,1|2,0,0]=4 25 B16R2.14 NNC(=O)CCc1c[nH]c2c1cccc2 CSC000189881 [0,1,0,0,0,1|1,0,1]=4 26 B16R2.24414 CC(N)CN1CCN(c2c1cccc2)C CSC011922170 [0,1,0,0,0,1|1,0,1]=4 27 B16R2.248309 CC(C)(N)CN1CCNc2c1cccc2 CSC057127355 [0,1,0,0,0,1|1,0,1]=4 28 B16R2.5 CCOC(=O)Cc1c[nH]c2c1cccc2 CSC000171590 [0,2,0,0,0,0|1,0,1]=4 29 B16R2.5 CN(CCN)Cc1coc2c1cccc2 CSC012816590 [0,2,0,0,0,0|2,0,0]=4 30 B16R2.5 CN(CCN)Cc1csc2c1cccc2 CSC011730825 [0,2,0,0,0,0|2,0,0]=4 31 B16R2.33556 COC(=O)Cc1cn(c2c1cccc2)C CSC000055441 [0,2,0,0,0,0|1,0,1]=4 32 B16R3.1814 C(NC1CC1)c2csc3c2cccc3 CSC000241046 [0,0,0,1,0,1|2,0,0]=4 33 B12R1.252 CC(C)CCNc1ccccc1 CSC000219564 [0,0,1,0,1,0|1,0,1]=4 34 B14R1.160 CC(C)CNC(=O)c1ccccc1N CSC000180285 [0,0,1,0,0,1|2,0,0]=4 35 B14R1.337 CC(C)CC(=O)Nc1ccccc1N CSC011193550 [0,0,1,0,0,1|2,0,0]=4 36 B14R1.337 CC(N)CC(=O)Nc1ccccc1Cl CSC011357081 [0,0,1,0,0,1|2,0,0]=4 37 B14R2.112 CCSc1ccc2ccccc2c1 CSC000000182 [1,0,0,0,0,1|2,0,0]=4 38 B14R2.112 CSCc1ccc2ccccc2c1 CSC000053063 [1,0,0,0,0,1|2,0,0]=4 39 B14R2.7150 CCNc1cccc2c1cccc2 CSC000185437 [1,0,0,0,0,1|2,0,0]=4 40 B16R2.36 CC(=O)NCCc1c[nH]c2c1cccc2 CSC000151879 [0,0,0,0,0,2|1,0,1]=4 41 B16R2.36 CC(C)CNCc1coc2c1cccc2 CSC011993077 [0,0,0,0,0,2|2,0,0]=4 42 B16R2.36 CC(C)NCCc1c[nH]c2c1cccc2 CSC000227111 [0,0,0,0,0,2|1,0,0]=3 43 B16R2.36 NC(=O)CCCc1c[nH]c2c1cccc2 CSC000162206 [0,0,0,0,0,2|1,0,1]=4 44 B16R2.36 NC(=O)NCCc1c[nH]c2c1cccc2 CSC000238968 [0,0,0,0,0,2|1,0,1]=4 45 B16R2.179941 CC(C)NCc1cccc2c1cccc2 CSC000195758 [0,0,0,0,0,2|2,0,0]=4 46 B16R2.179941 CC(C)NCc1nccc2c1cccc2 CSC011526119 [0,0,0,0,0,2|2,0,0]=4 47 B16R2.180786 CC(N)CN1CCNCc2c1cccc2 CSC057079744 [0,0,0,0,0,2|1,0,1]=4