0 B16R2.97836 Cc1c(c(=O)n(n1C)c2ccccc2)O 271570a_203496583355_100009813935 [0,0,0,0,0,0|0,0,0]=0 1 B15R2.321 Cc1nn(c(c1O)C)c2ccccc2 271570a_203496583355_100011203567 [1,0,0,0,0,0|1,0,1]=3 2 B15R2.321 Cc1sc(c(c1O)C)c2ccccc2 271570a_203496583355_200010188721 [1,0,0,0,0,0|3,0,0]=4 3 B17R2.135589 C=Cc1c(n(n(c1=O)c2ccccc2)C)C 271570a_100011290941_100009813935 [0,1,0,0,0,0|1,0,0]=2 4 B17R2.135589 COc1c(n(n(c1=O)c2ccccc2)C)C 34a_100000032164_200000210301 [0,1,0,0,0,0|0,0,0]=1 5 B17R2.135589 Cc1c(c(=O)n(n1C)c2ccccc2)O[13CH3] 34a_100000032164_200025704644 [0,1,0,0,0,0|0,0,0]=1 6 B15R1.973 CCC(C)C(=O)C(=O)Nc1ccccc1 1458a_100000738435_100000758301 [0,0,1,0,0,0|1,0,2]=4 7 B15R1.973 CCN(C)C(=O)C(=O)Nc1ccccc1 240690a_100000225621_100000738435 [0,0,1,0,0,0|2,0,1]=4 8 B15R1.973 CNC(=O)C(C)C(=O)Nc1ccccc1 11a_106832991635_100012277477 [0,0,1,0,0,0|2,0,1]=4 9 B15R1.973 CNC(=O)C(C)C(=O)Nc1ccccc1 240690a_100102657272_100012277477 [0,0,1,0,0,0|2,0,1]=4 10 B15R1.973 CNC(=O)C(C)C(=O)Nc1ccccc1 527a_100102657272_100012277477 [0,0,1,0,0,0|2,0,1]=4 11 B15R1.1329 C/C=C(\C)/C(=O)N(CC)c1ccccc1 11a_100000210013_100020587367 [0,0,1,0,0,0|2,0,0]=3 12 B15R1.1329 C/C=C(\C)/C(=O)N(CC)c1ccccc1 1626a_100000210013_100020587367 [0,0,1,0,0,0|2,0,0]=3 13 B15R1.1329 C/C=C(\C)/C(=O)N(CC)c1ccccc1 22a_100000210013_100020587367 [0,0,1,0,0,0|2,0,0]=3 14 B15R1.1329 CCC(O)C(=O)N(CC)c1ccccc1 22a_100000210013_100011196387 [0,0,1,0,0,0|1,0,2]=4 15 B15R1.1329 CCN(C(=O)C(=O)NC)c1ccccc1 1626a_100000210013_100011218921 [0,0,1,0,0,0|2,0,1]=4 16 B15R1.1329 CCN(C(=O)C(=O)NC)c1ccccc1 22a_100000210013_100011218921 [0,0,1,0,0,0|2,0,1]=4 17 B15R1.1329 CCN(C(=O)C(=O)OC)c1ccccc1 11a_100000210013_100000024059 [0,0,1,0,0,0|2,0,1]=4 18 B15R1.1329 CCN(C(=O)C(=O)OC)c1ccccc1 1626a_100000210013_100000024059 [0,0,1,0,0,0|2,0,1]=4 19 B17R2.2358 Cc1cc(c(c(c1c2ccccc2)C)C)O 271570a_100011218836_100000730119 [0,0,0,0,0,1|3,0,0]=4 20 B17R2.2359 Cc1cc(c(c(c1O)C)C)c2ccccc2 271570a_100011218836_200012339818 [0,0,0,0,0,1|3,0,0]=4 21 B14R1.60 CC/C=C(\C)/C(=O)Nc1ccccc1 11a_100000106764_100016988807 [1,0,1,0,0,0|2,0,0]=4 22 B14R1.60 CC/C=C(\C)/C(=O)Nc1ccccc1 1626a_100000106764_100016988807 [1,0,1,0,0,0|2,0,0]=4 23 B14R1.60 CC/C=C(\C)/C(=O)Nc1ccccc1 22a_100000106764_100016988807 [1,0,1,0,0,0|2,0,0]=4 24 B14R1.60 CC/C=C(\C)/C(=O)Nc1ccccc1 527a_100000106764_100016988807 [1,0,1,0,0,0|2,0,0]=4 25 B14R1.60 CNNC(=O)C(=O)Nc1ccccc1 22a_100016993582_100000738435 [1,0,1,0,0,0|1,0,1]=4 26 B14R1.425 CC(C(=O)O)N(C)Cc1ccccc1 269956a_100000740634_200000210301 [1,0,1,0,0,0|1,0,1]=4 27 B14R1.425 CC(C(=O)O)N(C)Cc1ccccc1 269956a_100000749554_100015291786 [1,0,1,0,0,0|1,0,1]=4 28 B14R1.425 CC(C(=O)O)N([13CH3])Cc1ccccc1 269956a_100000740634_200025704644 [1,0,1,0,0,0|1,0,1]=4 29 B14R1.425 CC(C)C(=O)C(=O)Nc1ccccc1 1458a_100000738435_100000210206 [1,0,1,0,0,0|0,0,2]=4 30 B14R1.425 CC(C)[C@@H](O)C(=O)Nc1ccccc1 22a_100000106764_100000691806 [1,0,1,0,0,0|0,0,2]=4 31 B14R1.425 CN(C)C(=O)C(=O)Nc1ccccc1 1626a_100000106764_100011218876 [1,0,1,0,0,0|1,0,1]=4 32 B14R1.425 CN(C)C(=O)C(=O)Nc1ccccc1 22a_100000106764_100011218876 [1,0,1,0,0,0|1,0,1]=4 33 B14R1.425 CN(C)C(=O)C(=O)Nc1ccccc1 240690a_100102631434_100000738435 [1,0,1,0,0,0|1,0,1]=4 34 B14R1.425 CN(C)C(=O)C(=O)Nc1ccccc1 527a_100000106764_100011218876 [1,0,1,0,0,0|1,0,1]=4 35 B14R1.743 CCC(=CC(=O)Cc1ccccc1)C 1458a_100020758463_100015291786 [1,0,1,0,0,0|2,0,0]=4 36 B14R1.743 CCC(=CC(=O)Nc1ccccc1)C 11a_100000106764_100020758463 [1,0,1,0,0,0|1,0,0]=3 37 B14R1.743 CCC(=CC(=O)Nc1ccccc1)C 1626a_100000106764_100020758463 [1,0,1,0,0,0|1,0,0]=3 38 B14R1.743 CCC(=CC(=O)Nc1ccccc1)C 22a_100000106764_100020758463 [1,0,1,0,0,0|1,0,0]=3 39 B14R1.85 C/C=C(\C)/C(=O)C(C)c1ccccc1 1458a_100020587367_100000230085 [1,0,1,0,0,0|2,0,0]=4 40 B14R1.85 C/C=C(\C)/C(=O)N(C)c1ccccc1 11a_100000210012_100020587367 [1,0,1,0,0,0|1,0,0]=3 41 B14R1.85 C/C=C(\C)/C(=O)N(C)c1ccccc1 1626a_100000210012_100020587367 [1,0,1,0,0,0|1,0,0]=3 42 B14R1.85 C/C=C(\C)/C(=O)N(C)c1ccccc1 22a_100000210012_100020587367 [1,0,1,0,0,0|1,0,0]=3 43 B14R1.85 CCC(=O)C(=O)N(C)c1ccccc1 1458a_100011297159_100000210202 [1,0,1,0,0,0|0,0,2]=4 44 B14R1.85 CCC(O)C(=O)N(C)c1ccccc1 22a_100000210012_100011196387 [1,0,1,0,0,0|0,0,2]=4 45 B14R1.85 CNC(=O)C(=O)N(C)c1ccccc1 1626a_100000210012_100011218921 [1,0,1,0,0,0|1,0,1]=4 46 B14R1.85 CNC(=O)C(=O)N(C)c1ccccc1 1626a_100102657272_100011297159 [1,0,1,0,0,0|1,0,1]=4 47 B14R1.85 CNC(=O)C(=O)N(C)c1ccccc1 22a_100000210012_100011218921 [1,0,1,0,0,0|1,0,1]=4 48 B14R1.85 CNC(=O)C(=O)N(C)c1ccccc1 240690a_100102657272_100011297159 [1,0,1,0,0,0|1,0,1]=4 49 B14R1.85 COC(=O)C(=O)N(C)c1ccccc1 11a_100000210012_100000024059 [1,0,1,0,0,0|1,0,1]=4 50 B14R1.85 COC(=O)C(=O)N(C)c1ccccc1 1626a_100000210012_100000024059 [1,0,1,0,0,0|1,0,1]=4 51 B14R1.604 CC=CC(=O)N(CC)c1ccccc1 11a_100000210013_100000210699 [1,0,1,0,0,0|1,0,0]=3 52 B14R1.604 CC=CC(=O)N(CC)c1ccccc1 1626a_100000210013_100000210699 [1,0,1,0,0,0|1,0,0]=3 53 B14R1.604 CC=CC(=O)N(CC)c1ccccc1 22a_100000210013_100000210699 [1,0,1,0,0,0|1,0,0]=3 54 B14R1.604 CCN(C(=O)C=CBr)c1ccccc1 1626a_100000210013_100016273825 [1,0,1,0,0,0|2,0,0]=4 55 B14R1.604 CCN(C(=O)C=CCl)c1ccccc1 11a_100000210013_200016279998 [1,0,1,0,0,0|2,0,0]=4 56 B14R1.604 CCN(C(=O)C=CCl)c1ccccc1 1626a_100000210013_200016279998 [1,0,1,0,0,0|2,0,0]=4 57 B14R1.604 CCN(C(=O)C=CI)c1ccccc1 1626a_100000210013_100016256311 [1,0,1,0,0,0|2,0,0]=4 58 B14R1.1027 C=C(Br)C(=O)N(CC)c1ccccc1 11a_100000210013_100009813364 [1,0,1,0,0,0|2,0,0]=4 59 B14R1.1027 C=C(Br)C(=O)N(CC)c1ccccc1 1626a_100000210013_100009813364 [1,0,1,0,0,0|2,0,0]=4 60 B14R1.1027 C=C(C)C(=O)N(CC)c1ccccc1 11a_100000210013_100000185857 [1,0,1,0,0,0|2,0,0]=4 61 B14R1.1027 C=C(C)C(=O)N(CC)c1ccccc1 1626a_100000210013_100000185857 [1,0,1,0,0,0|2,0,0]=4 62 B14R1.1027 C=C(C)C(=O)N(CC)c1ccccc1 22a_100000210013_100000185857 [1,0,1,0,0,0|2,0,0]=4 63 B14R1.1027 C=C(Cl)C(=O)N(CC)c1ccccc1 11a_100000210013_100000039160 [1,0,1,0,0,0|2,0,0]=4 64 B14R1.1027 C=C(Cl)C(=O)N(CC)c1ccccc1 1626a_100000210013_100000039160 [1,0,1,0,0,0|2,0,0]=4 65 B14R1.1027 C=C(Cl)C(=O)N(CC)c1ccccc1 22a_100000210013_100000039160 [1,0,1,0,0,0|2,0,0]=4 66 B14R1.1027 C=C(F)C(=O)N(CC)c1ccccc1 11a_100000210013_100000036797 [1,0,1,0,0,0|2,0,0]=4 67 B14R1.1027 C=C(F)C(=O)N(CC)c1ccccc1 1626a_100000210013_100000036797 [1,0,1,0,0,0|2,0,0]=4 68 B14R1.1027 C=C(F)C(=O)N(CC)c1ccccc1 22a_100000210013_100000036797 [1,0,1,0,0,0|2,0,0]=4 69 B14R1.1027 CCN(C(=O)[C@@H](C)O)c1ccccc1 22a_100000210013_100000717761 [1,0,1,0,0,0|1,0,1]=4 70 B14R1.1027 CCN(C(=O)[C@H](C)O)c1ccccc1 1626a_100000210013_217856618621 [1,0,1,0,0,0|1,0,1]=4 71 B14R1.1027 CCN(C(=O)[C@H](C)O)c1ccccc1 22a_100000210013_217856618621 [1,0,1,0,0,0|1,0,1]=4 72 B14R1.2984 C=CC(=O)N(c1ccccc1)C(C)C 1626a_100000210572_100000185746 [1,0,1,0,0,0|2,0,0]=4 73 B14R2.260 Cc1nn(cc1O)c2ccccc2 271570a_203496583355_107254826870 [2,0,0,0,0,0|0,0,1]=3 74 B14R2.4514 Cc1c(cnn1c2ccccc2)O 271570a_203496583355_200000023685 [2,0,0,0,0,0|1,0,1]=4 75 B14R2.4514 Cc1cnc(n1C)c2ccccc2 271570a_100011218836_100009816807 [2,0,0,0,0,0|2,0,0]=4 76 B14R2.4514 Cc1ncc(n1C)c2ccccc2 271570a_100011218836_100000762843 [2,0,0,0,0,0|2,0,0]=4 77 B16R1.711 C/C=C(\C)/C(=O)N(CCC)c1ccccc1 11a_200011218496_100020587367 [0,1,1,0,0,0|2,0,0]=4 78 B16R1.711 C/C=C(\C)/C(=O)N(CCC)c1ccccc1 1626a_200011218496_100020587367 [0,1,1,0,0,0|2,0,0]=4 79 B16R1.711 C/C=C(\C)/C(=O)N(CCC)c1ccccc1 22a_200011218496_100020587367 [0,1,1,0,0,0|2,0,0]=4 80 B16R1.711 C/C=C(\C)/C(=O)N(CCO)c1ccccc1 22a_100000211345_100020587367 [0,1,1,0,0,0|2,0,0]=4 81 B16R1.1629 C/C=C(\C)/C(=O)N(CC)c1ccc(cc1)Br 11a_100000219632_100020587367 [0,1,1,0,0,0|2,0,0]=4 82 B16R1.1629 C/C=C(\C)/C(=O)N(CC)c1ccc(cc1)Br 1626a_100000219632_100020587367 [0,1,1,0,0,0|2,0,0]=4 83 B16R1.1629 C/C=C(\C)/C(=O)N(CC)c1ccc(cc1)Br 22a_100000219632_100020587367 [0,1,1,0,0,0|2,0,0]=4 84 B16R1.1629 C/C=C(\C)/C(=O)N(CC)c1ccc(cc1)C 11a_100000219985_100020587367 [0,1,1,0,0,0|2,0,0]=4 85 B16R1.1629 C/C=C(\C)/C(=O)N(CC)c1ccc(cc1)C 1626a_100000219985_100020587367 [0,1,1,0,0,0|2,0,0]=4 86 B16R1.1629 C/C=C(\C)/C(=O)N(CC)c1ccc(cc1)C 22a_100000219985_100020587367 [0,1,1,0,0,0|2,0,0]=4 87 B16R1.1629 C/C=C(\C)/C(=O)N(CC)c1ccc(cc1)Cl 11a_100000220165_100020587367 [0,1,1,0,0,0|2,0,0]=4 88 B16R1.1629 C/C=C(\C)/C(=O)N(CC)c1ccc(cc1)Cl 1626a_100000220165_100020587367 [0,1,1,0,0,0|2,0,0]=4 89 B16R1.1629 C/C=C(\C)/C(=O)N(CC)c1ccc(cc1)Cl 22a_100000220165_100020587367 [0,1,1,0,0,0|2,0,0]=4 90 B16R1.1629 C/C=C(\C)/C(=O)N(CC)c1ccc(cc1)F 11a_100102640331_100020587367 [0,1,1,0,0,0|2,0,0]=4 91 B16R1.1629 C/C=C(\C)/C(=O)N(CC)c1ccc(cc1)F 1626a_100102640331_100020587367 [0,1,1,0,0,0|2,0,0]=4 92 B16R1.1629 C/C=C(\C)/C(=O)N(CC)c1ccc(cc1)F 22a_100102640331_100020587367 [0,1,1,0,0,0|2,0,0]=4 93 B16R1.1629 C/C=C(\C)/C(=O)N(CC)c1ccc(cc1)O 22a_100011337800_100020587367 [0,1,1,0,0,0|2,0,0]=4 94 B16R1.1630 C/C=C(\C)/C(=O)N(CC)c1cccc(c1)Br 11a_100000738899_100020587367 [0,1,1,0,0,0|2,0,0]=4 95 B16R1.1630 C/C=C(\C)/C(=O)N(CC)c1cccc(c1)Br 1626a_100000738899_100020587367 [0,1,1,0,0,0|2,0,0]=4 96 B16R1.1630 C/C=C(\C)/C(=O)N(CC)c1cccc(c1)Br 22a_100000738899_100020587367 [0,1,1,0,0,0|2,0,0]=4 97 B16R1.1630 C/C=C(\C)/C(=O)N(CC)c1cccc(c1)C 11a_100000182157_100020587367 [0,1,1,0,0,0|2,0,0]=4 98 B16R1.1630 C/C=C(\C)/C(=O)N(CC)c1cccc(c1)C 1626a_100000182157_100020587367 [0,1,1,0,0,0|2,0,0]=4 99 B16R1.1630 C/C=C(\C)/C(=O)N(CC)c1cccc(c1)C 22a_100000182157_100020587367 [0,1,1,0,0,0|2,0,0]=4 100 B16R1.1630 C/C=C(\C)/C(=O)N(CC)c1cccc(c1)O 1626a_100000717746_100020587367 [0,1,1,0,0,0|2,0,0]=4 101 B16R1.2644 C/C=C(\C)/C(=O)N(CC)c1ccccc1Br 11a_114873767003_100020587367 [0,1,1,0,0,0|2,0,0]=4 102 B16R1.2644 C/C=C(\C)/C(=O)N(CC)c1ccccc1Br 1626a_114873767003_100020587367 [0,1,1,0,0,0|2,0,0]=4 103 B16R1.2644 C/C=C(\C)/C(=O)N(CC)c1ccccc1C 11a_100000211084_100020587367 [0,1,1,0,0,0|2,0,0]=4 104 B16R1.2644 C/C=C(\C)/C(=O)N(CC)c1ccccc1C 1626a_100000211084_100020587367 [0,1,1,0,0,0|2,0,0]=4 105 B16R1.2644 C/C=C(\C)/C(=O)N(CC)c1ccccc1C 22a_100000211084_100020587367 [0,1,1,0,0,0|2,0,0]=4 106 B16R1.2644 C/C=C(\C)/C(=O)N(CC)c1ccccc1F 11a_100000220365_100020587367 [0,1,1,0,0,0|2,0,0]=4 107 B16R1.2644 C/C=C(\C)/C(=O)N(CC)c1ccccc1F 1626a_100000220365_100020587367 [0,1,1,0,0,0|2,0,0]=4 108 B16R1.2644 C/C=C(\C)/C(=O)N(CC)c1ccccc1O 22a_103624766699_100020587367 [0,1,1,0,0,0|2,0,0]=4 109 B16R1.2895 C/C=C(\C)/C(=O)N(c1ccccc1)C(C)C 11a_100000210572_100020587367 [0,1,1,0,0,0|2,0,0]=4 110 B16R1.2895 C/C=C(\C)/C(=O)N(c1ccccc1)C(C)C 1626a_100000210572_100020587367 [0,1,1,0,0,0|2,0,0]=4 111 B16R1.4559 CC/C=C(\C)/C(=O)N(CC)c1ccccc1 11a_100000210013_100016988807 [0,1,1,0,0,0|2,0,0]=4 112 B16R1.4559 CC/C=C(\C)/C(=O)N(CC)c1ccccc1 1626a_100000210013_100016988807 [0,1,1,0,0,0|2,0,0]=4 113 B16R1.4559 CC/C=C(\C)/C(=O)N(CC)c1ccccc1 22a_100000210013_100016988807 [0,1,1,0,0,0|2,0,0]=4 114 B18R2.40386 C=C(C)c1c(n(n(c1=O)c2ccccc2)C)C 271570a_100000694244_100009813935 [0,2,0,0,0,0|1,0,0]=3 115 B18R2.47068 C=C=Cc1c(n(n(c1=O)c2ccccc2)C)C 271570a_100015277604_100009813935 [0,2,0,0,0,0|1,0,0]=3 116 B18R2.47068 CC=Cc1c(n(n(c1=O)c2ccccc2)C)C 271570a_100016259895_100009813935 [0,2,0,0,0,0|1,0,0]=3 117 B18R2.47068 CCOc1c(n(n(c1=O)c2ccccc2)C)C 34a_100000032164_100000210202 [0,2,0,0,0,0|0,0,0]=2 118 B18R2.47068 CNCc1c(c(=O)n(n1C)c2ccccc2)Br 2230a_106832991635_200009814248 [0,2,0,0,0,0|1,0,0]=3 119 B18R2.47068 CNCc1c(c(=O)n(n1C)c2ccccc2)Br 34a_100102657272_200009814248 [0,2,0,0,0,0|1,0,0]=3 120 B18R2.47068 CNCc1c(c(=O)n(n1C)c2ccccc2)Br 7a_106832991635_200009814248 [0,2,0,0,0,0|1,0,0]=3 121 B18R2.47068 COCc1c(c(=O)n(n1C)c2ccccc2)Br 34a_100138415774_200009814248 [0,2,0,0,0,0|1,0,0]=3 122 B18R2.47068 CSCc1c(c(=O)n(n1C)c2ccccc2)Br 62a_200009814248_200000210301 [0,2,0,0,0,0|1,0,0]=3 123 B18R2.47068 Cc1c(c(=O)n(n1C)c2ccccc2)OCF 34a_100000032164_100015361967 [0,2,0,0,0,0|0,0,0]=2 124 B18R2.47068 Cn1c(c(c(=O)n1c2ccccc2)Br)CS[13CH3] 62a_200009814248_200025704644 [0,2,0,0,0,0|1,0,0]=3 125 B16R1.1127 CNC(=O)CC(=O)C(=O)Nc1ccccc1 1458a_100000738435_100000183359 [0,0,1,0,0,1|1,0,1]=4 126 B16R1.1660 C/C=C(\C)/C(=O)CC(=O)Nc1ccccc1 1458a_100020587367_100000182850 [0,0,1,0,0,1|1,0,1]=4 127 B16R1.1660 CNC(=O)C(=O)CC(=O)Nc1ccccc1 1458a_100011218921_100000182850 [0,0,1,0,0,1|1,0,1]=4 128 B16R1.1660 CNC(C)C(=O)NC(=O)Nc1ccccc1 2230a_106832991635_100000239253 [0,0,1,0,0,1|0,0,2]=4 129 B16R1.1660 CNC(C)C(=O)NC(=O)Nc1ccccc1 7a_106832991635_100000239253 [0,0,1,0,0,1|0,0,2]=4 130 B16R2.6164 Cc1cc(cc(c1C)c2ccccc2)O 271570a_100011218836_100010068915 [1,0,0,0,0,1|2,0,0]=4 131 B16R2.2900 Cn1cc(c(=O)n1Cc2ccccc2)O 271570a_203496583355_200161116192 [1,0,0,0,0,1|0,0,0]=2