0 B16R2.2441 CCCCOc1ccc2ccccc2c1 CSC000014088 [0,0,0,0,0,0|0,0,0]=0 1 B16R2.2441 CNCCNc1cnc2ccccc2n1 CSC011723319 [0,0,0,0,0,0|4,0,0]=4 2 B16R2.2441 OCCCSc1ccc2ccccc2c1 CSC000148425 [0,0,0,0,0,0|1,1,0]=2 3 B15R2.352 CCCOc1ccc2ccccc2c1 CSC000005839 [1,0,0,0,0,0|0,0,0]=1 4 B15R2.352 CCCSc1ccc2ccccc2c1 CSC048195454 [1,0,0,0,0,0|0,1,0]=2 5 B15R2.352 N#CCSc1ccc2ccccc2c1 CSC000148427 [1,0,0,0,0,0|1,1,1]=4 6 B15R2.352 OCCOc1ccc2ccccc2c1 CSC011219602 [1,0,0,0,0,0|1,0,0]=2 7 B15R2.352 OCCSc1ccc2ccccc2c1 CSC000193269 [1,0,0,0,0,0|1,1,0]=3 8 B17R2.556 CC(CO)NCc1ccc2ccccc2c1 CSC000344217 [0,1,0,0,0,0|3,0,0]=4 9 B17R2.556 CCC(=O)NCc1ccc2ccccc2c1 CSC040366643 [0,1,0,0,0,0|2,0,1]=4 10 B17R2.556 COC(=O)COc1ccc2ccccc2c1 CSC000149869 [0,1,0,0,0,0|1,0,1]=3 11 B17R2.556 C[C@H](CN)NCc1ccc2ccccc2c1 CSC006718783 [0,1,0,0,0,0|3,0,0]=4 12 B17R2.2104 CC(NCCN)c1ccc2ccccc2c1 CSC005463227 [0,1,0,0,0,0|3,0,0]=4 13 B17R2.2104 CCCNC(=O)c1ccc2ccccc2c1 CSC000253360 [0,1,0,0,0,0|2,0,0]=3 14 B17R2.2159 CCCC(=O)Nc1ccc2ccccc2c1 CSC000249959 [0,1,0,0,0,0|1,0,1]=3 15 B17R2.2159 CCCC(=O)Oc1ccc2ccccc2c1 CSC000002293 [0,1,0,0,0,0|0,0,1]=2 16 B17R2.2159 CCNC(=O)Nc1ccc2ccccc2c1 CSC000253966 [0,1,0,0,0,0|2,0,1]=4 17 B17R2.2159 CN(CCN)Cc1ccc2ccccc2c1 CSC005671664 [0,1,0,0,0,0|3,0,0]=4 18 B17R2.2159 COCC(=O)Nc1ccc2ccccc2c1 CSC000252130 [0,1,0,0,0,0|2,0,1]=4 19 B17R2.2159 NCCC(=O)Nc1ccc2ccccc2c1 CSC000292224 [0,1,0,0,0,0|2,0,1]=4 20 B17R2.2708 CCOCCn1ccc2ccccc2c1=O CSC046503337 [0,1,0,0,0,0|3,0,0]=4 21 B17R2.5669 CC(=O)NCCc1ccc2ccccc2c1 CSC000046335 [0,1,0,0,0,0|2,0,1]=4 22 B17R2.5669 CC(C)NCCc1ccc2ccccc2c1 CSC000324771 [0,1,0,0,0,0|2,0,0]=3 23 B17R2.5669 CC(O)CNCc1ccc2ccccc2c1 CSC000266453 [0,1,0,0,0,0|2,0,0]=3 24 B17R2.5879 CCNCCNc1cnc2ccccc2n1 CSC005669110 [0,1,0,0,0,0|3,0,0]=4 25 B17R2.5879 CNCCNCc1ccc2ccccc2c1 CSC006618058 [0,1,0,0,0,0|2,0,0]=3 26 B17R2.5879 CNCCNCc1ccc2ncccc2c1 CSC006618054 [0,1,0,0,0,0|3,0,0]=4 27 B17R2.5879 COCCCNc1cnc2ccccc2n1 CSC000289318 [0,1,0,0,0,0|3,0,0]=4 28 B17R2.5879 OCCCCSc1ccc2ccccc2c1 CSC000346207 [0,1,0,0,0,0|0,1,0]=2 29 B17R2.5879 OCCCNCc1ccc2ccccc2c1 CSC000266063 [0,1,0,0,0,0|2,0,0]=3 30 B17R2.12116 CCCNCc1cc2ccccc2nc1O CSC000305259 [0,1,0,0,0,0|3,0,0]=4 31 B15R2.5 CCCCCn1cnc2c1cccc2 CSC000185509 [0,0,0,0,1,0|3,0,0]=4 32 B15R2.2203 CCCCSc1nc2ccccc2s1 CSC000014094 [0,0,0,0,1,0|2,1,0]=4 33 B15R2.2203 CCCNCc1cc2ccccc2s1 CSC011405631 [0,0,0,0,1,0|3,0,0]=4 34 B14R2.112 CCOc1ccc2ncccc2c1 CSC000055991 [2,0,0,0,0,0|1,0,0]=3 35 B14R2.112 CCSc1ccc2ccccc2c1 CSC000000182 [2,0,0,0,0,0|0,1,0]=3 36 B14R2.112 CSCc1ccc2ccccc2c1 CSC000053063 [2,0,0,0,0,0|1,0,0]=3 37 B16R2.477 NC(=O)COc1ccc2ccccc2c1 CSC000150859 [1,1,0,0,0,0|1,0,1]=4 38 B16R2.767 CCOC(=O)c1ccc2ccccc2c1 CSC000171408 [1,1,0,0,0,0|1,0,1]=4 39 B16R2.1056 CCNCc1cc2ccccc2nc1O CSC011234414 [1,1,0,0,0,0|2,0,0]=4 40 B16R2.5347 CCC(=O)Nc1ccc2ccccc2c1 CSC000154016 [1,1,0,0,0,0|1,0,1]=4 41 B16R2.5347 CCC(=O)Oc1ccc2ccccc2c1 CSC000002294 [1,1,0,0,0,0|0,0,1]=3 42 B16R2.2875 CCCCNCc1cc2ccccc2o1 CSC000200719 [0,1,0,0,1,0|2,0,0]=4 43 B18R2.8028 CCC(C)NC(=O)c1ccc2ccccc2c1 CSC000384664 [0,2,0,0,0,0|2,0,0]=4 44 B18R2.8085 CCOC(=O)COc1ccc2ccccc2c1 CSC000256844 [0,2,0,0,0,0|0,0,1]=3 45 B18R2.8085 CN(CCN)CCc1ccc2ccccc2c1 CSC004256448 [0,2,0,0,0,0|2,0,0]=4 46 B18R2.8085 COCC(C)NCc1ccc2ccccc2c1 CSC000392466 [0,2,0,0,0,0|2,0,0]=4 47 B18R2.9347 COC(=O)COc1ccc2ccccc2c1Br CSC000246905 [0,2,0,0,0,0|1,0,1]=4 48 B18R2.12980 CN(C)C(=O)COc1ccc2ccccc2c1 CSC047989033 [0,2,0,0,0,0|1,0,1]=4 49 B18R2.101667 CNC(=O)COc1ccc2cc(ccc2c1)Br CSC000247462 [0,2,0,0,0,0|1,0,1]=4 50 B18R2.2032 CCCC(=O)Oc1ccc2ccc(=O)oc2c1 CSC046233055 [0,2,0,0,0,0|1,0,1]=4 51 B18R2.874990 CCCCOc1ccc2c(cc(=O)oc2c1)C CSC046125457 [0,2,0,0,0,0|1,0,0]=3 52 B18R2.2397 COCCNC(=O)c1ccc2ccccc2c1 CSC046255217 [0,2,0,0,0,0|2,0,0]=4 53 B18R2.2397 OCCCNC(=O)c1ccc2ccccc2c1 CSC000491254 [0,2,0,0,0,0|2,0,0]=4 54 B18R2.14644 CC(C)CNC(=O)c1ccc2ccccc2c1 CSC000385119 [0,2,0,0,0,0|2,0,0]=4 55 B18R2.33945 CCCNC(=O)Nc1ccc2ccccc2c1 CSC000385697 [0,2,0,0,0,0|1,0,1]=4 56 B18R2.33945 CNCCN(C)Cc1ccc2ccccc2c1 CSC001143757 [0,2,0,0,0,0|2,0,0]=4 57 B18R2.71948 CC(C)CC(=O)Nc1ccc2ccccc2c1 CSC046255993 [0,2,0,0,0,0|1,0,1]=4 58 B18R2.71948 CC(N)CN(C)Cc1ccc2ccccc2c1 CSC009665072 [0,2,0,0,0,0|2,0,0]=4 59 B18R2.9469 COC(=O)CCCc1ccc2ccccc2c1 CSC046161044 [0,2,0,0,0,0|1,0,1]=4 60 B18R2.9737 CCNCCNCc1ccc2ccccc2c1 CSC004252420 [0,2,0,0,0,0|1,0,0]=3 61 B18R2.9737 CCNCCNCc1ccc2ncccc2c1 CSC001993220 [0,2,0,0,0,0|2,0,0]=4 62 B18R2.9737 CCOCCNCc1ccc2ccccc2c1 CSC000573477 [0,2,0,0,0,0|1,0,0]=3 63 B18R2.9737 COCCCNCc1ccc2ccccc2c1 CSC000392173 [0,2,0,0,0,0|1,0,0]=3 64 B18R2.9737 OCCCCCSc1ccc2ccccc2c1 CSC000949833 [0,2,0,0,0,0|0,1,0]=3 65 B18R2.9909 CC(=O)NCCOc1ccc2ccccc2c1 CSC020600836 [0,2,0,0,0,0|0,0,1]=3 66 B18R2.75286 COCCCSc1cc(c2ccccc2n1)C CSC027522995 [0,2,0,0,0,0|1,1,0]=4 67 B18R2.75330 CCCCNCc1cc2ccccc2nc1O CSC000525206 [0,2,0,0,0,0|2,0,0]=4 68 B18R2.75330 CCCCNCc1cc2ccccc2nc1O CSC000525206 [0,2,0,0,0,0|2,0,0]=4 69 B18R2.122271 CCCNCc1ccc2cc(ccc2c1)OC CSC000493823 [0,2,0,0,0,0|2,0,0]=4 70 B16R2.50359 CCCCNc1cccc2c1cccc2 CSC000220140 [0,0,1,1,0,0|1,0,0]=3 71 B16R2.50359 CCCCOc1cccc2c1nccc2 CSC000188795 [0,0,1,1,0,0|1,0,0]=3 72 B16R2.50359 CCCNCc1cccc2c1cccc2 CSC000180874 [0,0,1,1,0,0|2,0,0]=4 73 B18R3.6524 CC1CC1NCc2ccc3ccccc3c2 CSC005637001 [0,1,0,1,0,0|1,0,0]=3 74 B18R3.240205 O=C(NC1CC1)c2ccc3ccccc3c2 CSC000252854 [0,1,0,1,0,0|2,0,0]=4 75 B18R3.119103 O=C(Nc1ccc2ccccc2c1)C3CC3 CSC000249960 [0,1,0,1,0,0|1,0,1]=4 76 B18R3.119103 O=C(Oc1ccc2ccccc2c1)C3CC3 CSC000002295 [0,1,0,1,0,0|0,0,1]=3 77 B18R3.228675 C(NCc1ccc2ccccc2c1)C3CC3 CSC000302834 [0,1,0,1,0,0|1,0,0]=3 78 B14R1.1035 CCCCOC(=O)c1ccccc1O CSC011204317 [0,0,1,0,1,0|2,0,0]=4 79 B14R2.3 CCCCn1cnc2c1cccc2 CSC000185663 [1,0,0,0,1,0|2,0,0]=4