0 B16R3.5988 c1cc(ccn1)c2cn3c(n2)CCC3 271570a_100000752145_100015205953 [0,0,0,0,0,0|2,0,2]=4 1 B16R3.5988 c1ccc(cc1)c2cn3c(n2)CCC3 271570a_100011218836_100015205953 [0,0,0,0,0,0|1,0,2]=3 2 B16R3.5988 c1ccc(nc1)c2cn3c(n2)CCC3 271570a_100011264011_100015205953 [0,0,0,0,0,0|2,0,2]=4 3 B16R3.5988 c1cncc(c1)c2cn3c(n2)CCC3 271570a_100000757648_100015205953 [0,0,0,0,0,0|2,0,2]=4 4 B17R3.17867 Brc1ccc(cc1)c2cn3c(n2)CCC3 271570a_100010235827_100015205953 [0,1,0,0,0,0|1,0,2]=4 5 B17R3.17867 Cc1ccc(cc1)c2cn3c(n2)CCC3 271570a_100000708704_100015205953 [0,1,0,0,0,0|1,0,2]=4 6 B17R3.17867 Clc1ccc(cc1)c2cn3c(n2)CCC3 271570a_100011213355_100015205953 [0,1,0,0,0,0|1,0,2]=4 7 B17R3.17867 Fc1ccc(cc1)c2cn3c(n2)CCC3 271570a_100011934326_100015205953 [0,1,0,0,0,0|1,0,2]=4 8 B17R3.17867 Ic1ccc(cc1)c2cn3c(n2)CCC3 271570a_100000033156_100015205953 [0,1,0,0,0,0|1,0,2]=4 9 B17R3.17867 Nc1ccc(cc1)c2cn3c(n2)CCC3 271570a_100015188457_100015205953 [0,1,0,0,0,0|1,0,2]=4 10 B17R3.17867 Oc1ccc(cc1)c2cn3c(n2)CCC3 271570a_100015205159_100015205953 [0,1,0,0,0,0|1,0,2]=4 11 B17R3.17867 Oc1ccc(cc1)c2cn3c(n2)SCC3 271570a_203496583355_100009812084 [0,1,0,0,0,0|0,0,2]=3 12 B17R3.18290 Cc1cccc(c1)c2cn3c(n2)CCC3 271570a_100000749446_100015205953 [0,1,0,0,0,0|1,0,2]=4 13 B17R3.18290 Clc1cccc(c1)c2cn3c(n2)CCC3 271570a_100011214927_100015205953 [0,1,0,0,0,0|1,0,2]=4 14 B17R3.18290 Fc1cccc(c1)c2cn3c(n2)CCC3 271570a_100012349223_100015205953 [0,1,0,0,0,0|1,0,2]=4 15 B17R3.18290 Ic1cccc(c1)c2cn3c(n2)CCC3 271570a_100000043368_100015205953 [0,1,0,0,0,0|1,0,2]=4 16 B17R3.18290 Nc1cccc(c1)c2cn3c(n2)CCC3 271570a_100000699968_100015205953 [0,1,0,0,0,0|1,0,2]=4 17 B17R3.18290 Oc1cccc(c1)c2cn3c(n2)CCC3 271570a_100000693801_100015205953 [0,1,0,0,0,0|1,0,2]=4 18 B17R3.27352 Cc1ccccc1c2cn3c(n2)CCC3 271570a_100000747142_100015205953 [0,1,0,0,0,0|1,0,2]=4 19 B17R3.27352 Clc1ccccc1c2cn3c(n2)CCC3 271570a_100011934419_100015205953 [0,1,0,0,0,0|1,0,2]=4 20 B17R3.27352 Fc1ccccc1c2cn3c(n2)CCC3 271570a_100000761933_100015205953 [0,1,0,0,0,0|1,0,2]=4 21 B17R3.27352 Ic1ccccc1c2cn3c(n2)CCC3 271570a_100000069755_100015205953 [0,1,0,0,0,0|1,0,2]=4 22 B17R3.27352 Nc1ccccc1c2cn3c(n2)CCC3 271570a_100000034411_100015205953 [0,1,0,0,0,0|1,0,2]=4 23 B17R3.27352 Oc1ccccc1c2cn3c(n2)CCC3 271570a_100000035170_100015205953 [0,1,0,0,0,0|1,0,2]=4 24 B15R2.55 CC1CCCC1=NNc2ccccc2 4a_100015195140_100000752053 [0,0,1,0,0,0|3,0,0]=4 25 B15R2.55 CC1SCCN1CCc2ccccc2 2230a_200011216479_100000765856 [0,0,1,0,0,0|1,0,1]=3 26 B15R2.55 CC1SCCN1CCc2ccccc2 269982a_200011216479_100000765856 [0,0,1,0,0,0|1,0,1]=3 27 B15R2.55 CC1SCCN1CCc2ccccc2 34a_200011216479_100000765856 [0,0,1,0,0,0|1,0,1]=3 28 B15R2.55 CC1SCCN1CCc2ccccn2 2230a_200011216479_100015183660 [0,0,1,0,0,0|2,0,1]=4 29 B15R2.55 CC1SCCN1CCc2ccccn2 269982a_200011216479_100015183660 [0,0,1,0,0,0|2,0,1]=4 30 B15R2.55 CC1SCCN1CCc2cccnc2 2230a_200011216479_200011713674 [0,0,1,0,0,0|2,0,1]=4 31 B15R2.55 CC1SCCN1CCc2cccnc2 269982a_200011216479_200011713674 [0,0,1,0,0,0|2,0,1]=4 32 B15R2.55 CC1SCCN1CCc2ccncc2 2230a_200011216479_100000723409 [0,0,1,0,0,0|2,0,1]=4 33 B15R2.55 CC1SCCN1CCc2ccncc2 269982a_200011216479_100000723409 [0,0,1,0,0,0|2,0,1]=4 34 B15R2.55 CC1SCCN1CSc2ccccc2 2230a_200011216479_100011218342 [0,0,1,0,0,0|2,0,1]=4 35 B15R2.55 CC1SCCN1CSc2ccccc2 269982a_200011216479_100011218342 [0,0,1,0,0,0|2,0,1]=4 36 B15R2.55 CN1CCCC1CCc2ccccc2 2230a_100000741814_200000210301 [0,0,1,0,0,0|2,0,1]=4 37 B15R2.55 CN1CCCC1CCc2ccccc2 269982a_100000741814_200000210301 [0,0,1,0,0,0|2,0,1]=4 38 B15R2.55 CN1CCCC1CCc2ccccc2 34a_100000741814_200000210301 [0,0,1,0,0,0|2,0,1]=4 39 B15R2.55 C[C@@H]1CCCN1CCc2ccccc2 2230a_100015189458_100000765856 [0,0,1,0,0,0|2,0,1]=4 40 B15R2.55 C[C@@H]1CCCN1CCc2ccccc2 269982a_100015189458_100000765856 [0,0,1,0,0,0|2,0,1]=4 41 B15R2.55 C[C@@H]1CCCN1CCc2ccccc2 34a_100015189458_100000765856 [0,0,1,0,0,0|2,0,1]=4 42 B15R2.55 C[C@H]1CCCN1CCc2ccccc2 2230a_100020605311_100000765856 [0,0,1,0,0,0|2,0,1]=4 43 B15R2.55 C[C@H]1CCCN1CCc2ccccc2 269982a_100020605311_100000765856 [0,0,1,0,0,0|2,0,1]=4 44 B15R2.55 O=C1CCCN1CSc2ccccc2 62a_100000026320_100000041952 [0,0,1,0,0,0|3,0,0]=4 45 B15R2.55 O=C1CCCN1CSc2ccccc2 62a_100000719477_100000026320 [0,0,1,0,0,0|3,0,0]=4 46 B15R2.55 [13CH3]N1CCCC1CCc2ccccc2 2230a_100000741814_200025704644 [0,0,1,0,0,0|2,0,1]=4 47 B15R2.55 [13CH3]N1CCCC1CCc2ccccc2 269982a_100000741814_200025704644 [0,0,1,0,0,0|2,0,1]=4 48 B15R2.55 [13CH3]N1CCCC1CCc2ccccc2 34a_100000741814_200025704644 [0,0,1,0,0,0|2,0,1]=4 49 B15R2.66 CCCN1CCC(C1)c2ccccc2 2230a_100000747531_100000210303 [0,0,1,0,0,0|2,0,1]=4 50 B15R2.66 CCCN1CCC(C1)c2ccccc2 269982a_100000747531_100000210303 [0,0,1,0,0,0|2,0,1]=4 51 B15R2.66 CCCN1CCC(C1)c2ccccc2 34a_100000747531_100000210303 [0,0,1,0,0,0|2,0,1]=4 52 B15R2.66 CCSc1c[nH]c(n1)c2ccccc2 62a_100000210202_200010210587 [0,0,1,0,0,0|2,0,1]=4 53 B15R2.66 CCSc1c[nH]c(n1)c2ccccc2 62a_200010210587_100000210202 [0,0,1,0,0,0|2,0,1]=4 54 B15R2.66 CCSc1cc(n[nH]1)c2ccccc2 62a_100000210202_114929179799 [0,0,1,0,0,0|2,0,1]=4 55 B15R2.66 CCSc1cc(n[nH]1)c2ccccc2 62a_114929179799_100000210202 [0,0,1,0,0,0|2,0,1]=4 56 B15R2.66 CCSc1coc(n1)c2ccccc2 62a_100000210202_100010163736 [0,0,1,0,0,0|2,0,1]=4 57 B15R2.66 CCSc1coc(n1)c2ccccc2 62a_100010163736_100000210202 [0,0,1,0,0,0|2,0,1]=4 58 B15R2.66 CCSc1n[nH]c(n1)c2ccccc2 271570a_100011218836_100010173355 [0,0,1,0,0,0|1,0,2]=4 59 B15R2.66 CCSc1n[nH]c(n1)c2ccccc2 62a_100000210202_100010173362 [0,0,1,0,0,0|1,0,2]=4 60 B15R2.66 CCSc1n[nH]c(n1)c2ccccc2 62a_100010173362_100000210202 [0,0,1,0,0,0|1,0,2]=4 61 B15R2.66 CCSc1nc(cs1)c2ccccc2 62a_100000210202_100011830410 [0,0,1,0,0,0|1,0,2]=4 62 B15R2.66 CCSc1nc(cs1)c2ccccc2 62a_100011830410_100000210202 [0,0,1,0,0,0|1,0,2]=4 63 B15R2.66 CCSc1noc(n1)c2ccccc2 62a_100000210202_200000701163 [0,0,1,0,0,0|1,0,2]=4 64 B15R2.66 CCSc1noc(n1)c2ccccc2 62a_200000701163_100000210202 [0,0,1,0,0,0|1,0,2]=4 65 B15R2.66 FCCN1CCC(C1)c2ccccc2 2230a_100000747531_100011217306 [0,0,1,0,0,0|2,0,1]=4 66 B15R2.66 FCCN1CCC(C1)c2ccccc2 269982a_100000747531_100011217306 [0,0,1,0,0,0|2,0,1]=4 67 B15R2.66 FCCN1CCC(C1)c2ccccc2 34a_100000747531_100011217306 [0,0,1,0,0,0|2,0,1]=4 68 B15R2.66 OCCN1CCC(C1)c2ccccc2 2230a_100000747531_100000211926 [0,0,1,0,0,0|1,1,1]=4 69 B15R2.66 OCCN1CCC(C1)c2ccccc2 269982a_100000747531_100000211926 [0,0,1,0,0,0|1,1,1]=4 70 B15R2.66 OCCN1CCC(C1)c2ccccc2 34a_100000747531_100000211926 [0,0,1,0,0,0|1,1,1]=4 71 B15R2.1259 CC(CN1CCCC1)c2ccccc2 2230a_100000188435_100000756946 [0,0,1,0,0,0|2,0,1]=4 72 B15R2.1259 CC(CN1CCCC1)c2ccccc2 269982a_100000188435_100000756946 [0,0,1,0,0,0|2,0,1]=4 73 B15R2.1259 CC(CN1CCCC1)c2ccccc2 270004a_100000188435_100000212034 [0,0,1,0,0,0|2,0,1]=4 74 B15R2.1259 CC(CN1CCSC1)c2ccccc2 2230a_100011215254_100000756946 [0,0,1,0,0,0|1,0,1]=3 75 B15R2.1259 CC(CN1CCSC1)c2ccccc2 269982a_100011215254_100000756946 [0,0,1,0,0,0|1,0,1]=3 76 B15R2.1259 CC(CN1CCSC1)c2ccccc2 270004a_100011215254_100000212034 [0,0,1,0,0,0|1,0,1]=3 77 B15R2.1259 CN(CC1=NCCN1)c2ccccc2 269982a_100000210012_100000737910 [0,0,1,0,0,0|3,0,0]=4 78 B15R2.1259 CN(CC1=NCCN1)c2ccccc2 34a_100000210012_100000737910 [0,0,1,0,0,0|3,0,0]=4 79 B15R2.1259 O=C(CN1CCSC1)c2ccccc2 269982a_100011215254_100000211460 [0,0,1,0,0,0|1,0,2]=4 80 B15R2.1259 O=S(CN1CCSC1)c2ccccc2 269982a_100011215254_100000031784 [0,0,1,0,0,0|2,0,1]=4 81 B15R2.1259 OC(CN1CCCC1)c2ccccc2 2230a_100000188435_100000185958 [0,0,1,0,0,0|2,0,1]=4 82 B15R2.1259 OC(CN1CCSC1)c2ccccc2 2230a_100011215254_100000185958 [0,0,1,0,0,0|1,0,1]=3 83 B15R2.1259 O[C@H](CN1CCCC1)c2ccccc2 2230a_100000188435_100011933945 [0,0,1,0,0,0|2,0,1]=4 84 B15R2.1259 O[C@H](CN1CCSC1)c2ccccc2 2230a_100011215254_100011933945 [0,0,1,0,0,0|1,0,1]=3 85 B17R3.8765 c1ccc(cc1)Sc2cn3c(n2)CCC3 62a_100000719477_100015205953 [0,0,0,0,0,1|1,0,2]=4 86 B17R3.8765 c1ccc(cc1)Sc2cn3c(n2)CCC3 62a_100015205953_100000041952 [0,0,0,0,0,1|1,0,2]=4 87 B14R2.101 c1cc(ccn1)CCN2CCSC2 2230a_100011215254_100000723409 [1,0,1,0,0,0|1,0,1]=4 88 B14R2.101 c1cc(ccn1)CCN2CCSC2 269982a_100011215254_100000723409 [1,0,1,0,0,0|1,0,1]=4 89 B14R2.101 c1ccc(cc1)CCN2CCCC2 2230a_100000188435_100000765856 [1,0,1,0,0,0|1,0,1]=4 90 B14R2.101 c1ccc(cc1)CCN2CCCC2 269982a_100000188435_100000765856 [1,0,1,0,0,0|1,0,1]=4 91 B14R2.101 c1ccc(cc1)CCN2CCSC2 2230a_100011215254_100000765856 [1,0,1,0,0,0|0,0,1]=3 92 B14R2.101 c1ccc(cc1)CCN2CCSC2 269982a_100011215254_100000765856 [1,0,1,0,0,0|0,0,1]=3 93 B14R2.101 c1ccc(cc1)SCN2CCSC2 2230a_100011215254_100011218342 [1,0,1,0,0,0|1,0,1]=4 94 B14R2.101 c1ccc(cc1)SCN2CCSC2 269982a_100011215254_100011218342 [1,0,1,0,0,0|1,0,1]=4 95 B14R2.101 c1ccc(nc1)CCN2CCSC2 2230a_100011215254_100015183660 [1,0,1,0,0,0|1,0,1]=4 96 B14R2.101 c1ccc(nc1)CCN2CCSC2 269982a_100011215254_100015183660 [1,0,1,0,0,0|1,0,1]=4 97 B14R2.101 c1cncc(c1)CCN2CCSC2 2230a_100011215254_200011713674 [1,0,1,0,0,0|1,0,1]=4 98 B14R2.101 c1cncc(c1)CCN2CCSC2 269982a_100011215254_200011713674 [1,0,1,0,0,0|1,0,1]=4 99 B14R2.8 CCN1CCC(C1)c2ccccc2 2230a_100000747531_100000210202 [1,0,1,0,0,0|1,0,1]=4 100 B14R2.8 CCN1CCC(C1)c2ccccc2 269982a_100000747531_100000204670 [1,0,1,0,0,0|1,0,1]=4 101 B14R2.8 CCN1CCC(C1)c2ccccc2 34a_100000747531_100000210202 [1,0,1,0,0,0|1,0,1]=4 102 B14R2.8 CCn1cnc(c1)c2ccccc2 271570a_100011218836_100010368372 [1,0,1,0,0,0|0,0,2]=4 103 B14R2.260 Cc1nc(cn1C)c2ccccc2 271570a_100011218836_100000684932 [1,0,1,0,0,0|0,0,2]=4 104 B16R2.1067 CC1SCCN1CCc2ccc(cc2)Br 2230a_200011216479_100011740612 [0,1,1,0,0,0|1,0,1]=4 105 B16R2.1067 CC1SCCN1CCc2ccc(cc2)Br 269982a_200011216479_100011740612 [0,1,1,0,0,0|1,0,1]=4 106 B16R2.1067 CC1SCCN1CCc2ccc(cc2)Br 34a_200011216479_100011740612 [0,1,1,0,0,0|1,0,1]=4 107 B16R2.1067 CC1SCCN1CCc2ccc(cc2)Cl 2230a_200011216479_100011713675 [0,1,1,0,0,0|1,0,1]=4 108 B16R2.1067 CC1SCCN1CCc2ccc(cc2)Cl 269982a_200011216479_100011713675 [0,1,1,0,0,0|1,0,1]=4 109 B16R2.1067 CC1SCCN1CCc2ccc(cc2)Cl 34a_200011216479_100011713675 [0,1,1,0,0,0|1,0,1]=4 110 B16R2.1067 CC1SCCN1CCc2ccc(cc2)F 2230a_200011216479_100011217392 [0,1,1,0,0,0|1,0,1]=4 111 B16R2.1067 CC1SCCN1CCc2ccc(cc2)F 269982a_200011216479_100011217392 [0,1,1,0,0,0|1,0,1]=4 112 B16R2.1067 CC1SCCN1CCc2ccc(cc2)F 34a_200011216479_100011217392 [0,1,1,0,0,0|1,0,1]=4 113 B16R2.1067 CC1SCCN1CCc2ccc(cc2)O 2230a_200011216479_100009816426 [0,1,1,0,0,0|1,0,1]=4 114 B16R2.1067 CC1SCCN1CCc2ccc(cc2)O 269982a_200011216479_100009816426 [0,1,1,0,0,0|1,0,1]=4 115 B16R2.1067 Cc1ccc(cc1)CCN2CCSC2C 2230a_200011216479_100011713686 [0,1,1,0,0,0|1,0,1]=4 116 B16R2.1067 Cc1ccc(cc1)CCN2CCSC2C 269982a_200011216479_100011713686 [0,1,1,0,0,0|1,0,1]=4 117 B16R2.1067 Cc1ccc(cc1)CCN2CCSC2C 34a_200011216479_100011713686 [0,1,1,0,0,0|1,0,1]=4 118 B16R2.2910 CC1SCCN1CCc2cccc(c2)Br 2230a_200011216479_100011740638 [0,1,1,0,0,0|1,0,1]=4 119 B16R2.2910 CC1SCCN1CCc2cccc(c2)Br 269982a_200011216479_100011740638 [0,1,1,0,0,0|1,0,1]=4 120 B16R2.2910 CC1SCCN1CCc2cccc(c2)Br 34a_200011216479_100011740638 [0,1,1,0,0,0|1,0,1]=4 121 B16R2.2910 CC1SCCN1CCc2cccc(c2)Cl 2230a_200011216479_100011713710 [0,1,1,0,0,0|1,0,1]=4 122 B16R2.2910 CC1SCCN1CCc2cccc(c2)Cl 269982a_200011216479_100011713710 [0,1,1,0,0,0|1,0,1]=4 123 B16R2.2910 CC1SCCN1CCc2cccc(c2)Cl 34a_200011216479_100011713710 [0,1,1,0,0,0|1,0,1]=4 124 B16R2.2910 CC1SCCN1CCc2cccc(c2)F 2230a_200011216479_100011217235 [0,1,1,0,0,0|1,0,1]=4 125 B16R2.2910 CC1SCCN1CCc2cccc(c2)F 269982a_200011216479_100011217235 [0,1,1,0,0,0|1,0,1]=4 126 B16R2.2910 CC1SCCN1CCc2cccc(c2)F 34a_200011216479_100011217235 [0,1,1,0,0,0|1,0,1]=4 127 B16R2.2910 Cc1cccc(c1)CCN2CCSC2C 2230a_200011216479_100011713685 [0,1,1,0,0,0|1,0,1]=4 128 B16R2.2910 Cc1cccc(c1)CCN2CCSC2C 269982a_200011216479_100011713685 [0,1,1,0,0,0|1,0,1]=4 129 B16R2.2910 Cc1cccc(c1)CCN2CCSC2C 34a_200011216479_100011713685 [0,1,1,0,0,0|1,0,1]=4 130 B16R2.2966 CC1SCCN1CCc2ccccc2Br 2230a_200011216479_100012161201 [0,1,1,0,0,0|1,0,1]=4 131 B16R2.2966 CC1SCCN1CCc2ccccc2Br 269982a_200011216479_100012161201 [0,1,1,0,0,0|1,0,1]=4 132 B16R2.2966 CC1SCCN1CCc2ccccc2Br 34a_200011216479_100012161201 [0,1,1,0,0,0|1,0,1]=4 133 B16R2.2966 CC1SCCN1CCc2ccccc2Cl 2230a_200011216479_100011713703 [0,1,1,0,0,0|1,0,1]=4 134 B16R2.2966 CC1SCCN1CCc2ccccc2Cl 269982a_200011216479_100011713703 [0,1,1,0,0,0|1,0,1]=4 135 B16R2.2966 CC1SCCN1CCc2ccccc2Cl 270004a_200011216479_200011713468 [0,1,1,0,0,0|1,0,1]=4 136 B16R2.2966 CC1SCCN1CCc2ccccc2Cl 34a_200011216479_100011713703 [0,1,1,0,0,0|1,0,1]=4 137 B16R2.2966 CC1SCCN1CCc2ccccc2F 2230a_200011216479_100011713696 [0,1,1,0,0,0|1,0,1]=4 138 B16R2.2966 CC1SCCN1CCc2ccccc2F 269982a_200011216479_100011713696 [0,1,1,0,0,0|1,0,1]=4 139 B16R2.2966 CC1SCCN1CCc2ccccc2F 34a_200011216479_100000720011 [0,1,1,0,0,0|1,0,1]=4 140 B16R2.2966 CC1SCCN1CCc2ccccc2O 269982a_200011216479_100000722297 [0,1,1,0,0,0|1,0,1]=4 141 B16R2.2966 CC1SCCN1CCc2ccccc2O 34a_200011216479_100000722297 [0,1,1,0,0,0|1,0,1]=4 142 B16R2.2966 Cc1ccccc1CCN2CCSC2C 2230a_200011216479_100011713688 [0,1,1,0,0,0|1,0,1]=4 143 B16R2.2966 Cc1ccccc1CCN2CCSC2C 269982a_200011216479_100011713688 [0,1,1,0,0,0|1,0,1]=4 144 B16R2.2966 Cc1ccccc1CCN2CCSC2C 34a_200011216479_100011713688 [0,1,1,0,0,0|1,0,1]=4 145 B16R2.3005 CC(Cc1ccccc1)N2CCSC2C 269982a_200011216479_200011218536 [0,1,1,0,0,0|1,0,1]=4 146 B16R2.3005 CC(Cc1ccccc1)N2CCSC2C 34a_200011216479_200011218536 [0,1,1,0,0,0|1,0,1]=4 147 B16R2.3014 CC(CN1CCSC1C)c2ccccc2 2230a_200011216479_100000756946 [0,1,1,0,0,0|1,0,1]=4 148 B16R2.3014 CC(CN1CCSC1C)c2ccccc2 269982a_200011216479_100000756946 [0,1,1,0,0,0|1,0,1]=4 149 B16R2.3014 CC(CN1CCSC1C)c2ccccc2 270004a_200011216479_100000212034 [0,1,1,0,0,0|1,0,1]=4 150 B16R2.3014 CC(CN1CCSC1C)c2ccccc2 34a_200011216479_100000756946 [0,1,1,0,0,0|1,0,1]=4 151 B16R2.3014 CC1SCCN1CC(O)c2ccccc2 2230a_200011216479_100000185958 [0,1,1,0,0,0|1,0,1]=4 152 B16R2.3014 CC1SCCN1CC(O)c2ccccc2 34a_200011216479_100000185958 [0,1,1,0,0,0|1,0,1]=4 153 B16R2.3014 CC1SCCN1C[C@@H](O)c2ccccc2 2230a_200011216479_100011933945 [0,1,1,0,0,0|1,0,1]=4 154 B16R2.3014 CC1SCCN1C[C@@H](O)c2ccccc2 34a_200011216479_100011933945 [0,1,1,0,0,0|1,0,1]=4 155 B16R2.13396 CC1(SCCN1CCc2ccccc2)C 2230a_100011217261_100000765856 [0,1,1,0,0,0|1,0,1]=4 156 B16R2.13396 CC1(SCCN1CCc2ccccc2)C 269982a_100011217261_100000765856 [0,1,1,0,0,0|1,0,1]=4 157 B16R2.13396 CC1(SCCN1CCc2ccccc2)C 34a_100011217261_100000765856 [0,1,1,0,0,0|1,0,1]=4 158 B16R2.150 CSCCN1CCC(C1)c2ccccc2 2230a_100000747531_100000751147 [0,1,1,0,0,0|1,0,1]=4 159 B16R2.150 CSCCN1CCC(C1)c2ccccc2 269982a_100000747531_100000212216 [0,1,1,0,0,0|1,0,1]=4 160 B16R2.150 CSCCN1CCC(C1)c2ccccc2 34a_100000747531_100000212216 [0,1,1,0,0,0|1,0,1]=4 161 B16R2.125 OC(CN1CCSC1)c2ccc(cc2)Cl 2230a_100011215254_200011996143 [0,1,1,0,0,0|1,0,1]=4 162 B16R2.125 O[C@@H](CN1CCSC1)c2ccc(cc2)F 2230a_100011215254_100000720402 [0,1,1,0,0,0|1,0,1]=4 163 B16R2.685 CCC(CN1CCSC1)c2ccccc2 270004a_100011215254_100000753018 [0,1,1,0,0,0|1,0,1]=4 164 B16R2.82795 CC(C)(CN1CCSC1)c2ccccc2 269982a_100011215254_100000703224 [0,1,1,0,0,0|1,0,1]=4 165 B16R2.82795 FC(F)(CN1CCSC1)c2ccccc2 269982a_100011215254_100009875531 [0,1,1,0,0,0|1,0,1]=4 166 B18R3.3412 C=Cc1ccc(cc1)c2cn3c(n2)SCC3 271570a_100011290941_100009812084 [0,2,0,0,0,0|0,0,2]=4 167 B18R3.3412 CSc1ccc(cc1)c2cn3c(n2)SCC3 62a_100009812084_200000210301 [0,2,0,0,0,0|0,0,2]=4 168 B18R3.3412 CSc1ccc(cc1)c2cn3c(n2)SCC3 62a_200000210301_100009812084 [0,2,0,0,0,0|0,0,2]=4 169 B18R3.3412 [13CH3]Sc1ccc(cc1)c2cn3c(n2)SCC3 62a_100009812084_200025704644 [0,2,0,0,0,0|0,0,2]=4 170 B18R3.3412 [13CH3]Sc1ccc(cc1)c2cn3c(n2)SCC3 62a_200025704644_100009812084 [0,2,0,0,0,0|0,0,2]=4 171 B14R1.123 C=CCCCNCCc1ccccc1 2230a_100000106460_100011713584 [0,0,2,0,0,0|2,0,0]=4 172 B14R1.123 C=CCCCNCCc1ccccc1 2230a_100000700776_100000765856 [0,0,2,0,0,0|2,0,0]=4 173 B14R1.123 C=CCCCNCCc1ccccc1 34a_100000106460_100000757094 [0,0,2,0,0,0|2,0,0]=4 174 B14R1.123 C=CCCCNCCc1ccccc1 34a_100000700776_100000765856 [0,0,2,0,0,0|2,0,0]=4 175 B14R1.123 C=COCCNCCc1ccccc1 2230a_100000106460_100000039644 [0,0,2,0,0,0|1,1,0]=4 176 B14R1.123 C=COCCNCCc1ccccc1 34a_100000106460_100000039644 [0,0,2,0,0,0|1,1,0]=4 177 B14R1.123 CCSCCNCCc1ccccc1 2230a_100000106460_100000757381 [0,0,2,0,0,0|1,0,1]=4 178 B14R1.123 CCSCCNCCc1ccccc1 2230a_100000106463_100000765856 [0,0,2,0,0,0|1,0,1]=4 179 B14R1.123 CCSCCNCCc1ccccc1 34a_100000106460_100000757381 [0,0,2,0,0,0|1,0,1]=4 180 B14R1.123 O=CCCCNCCc1ccccc1 2230a_100000106460_200011292268 [0,0,2,0,0,0|2,0,0]=4 181 B14R1.520 CCCC(=O)NCCc1ccccc1 11a_100000106460_100000211992 [0,0,2,0,0,0|2,0,0]=4 182 B14R1.520 CCCC(=O)NCCc1ccccc1 1626a_100000106460_100000211992 [0,0,2,0,0,0|2,0,0]=4 183 B14R1.520 CCCC(=O)NCCc1ccccc1 240690a_100000106460_100000211992 [0,0,2,0,0,0|2,0,0]=4 184 B14R1.520 CCCC(=O)NCCc1ccccc1 527a_100000106460_100000211992 [0,0,2,0,0,0|2,0,0]=4 185 B14R1.520 CCNC(=O)NCCc1ccccc1 2708a_100000106460_100015525214 [0,0,2,0,0,0|2,0,0]=4 186 B14R1.520 CCNC(=O)NCCc1ccccc1 2708a_100015525214_100000106460 [0,0,2,0,0,0|2,0,0]=4 187 B14R1.520 CCNC(=O)NCCc1ccccc1 273464a_100000106460_100015525214 [0,0,2,0,0,0|2,0,0]=4 188 B14R1.520 CCNC(=O)NCCc1ccccc1 273464a_100015525214_100000106460 [0,0,2,0,0,0|2,0,0]=4 189 B14R1.520 CCNC(=O)NCCc1ccccc1 512a_100000106460_100015525214 [0,0,2,0,0,0|2,0,0]=4 190 B14R1.520 CCNC(=O)NCCc1ccccc1 512a_100015525214_100000106460 [0,0,2,0,0,0|2,0,0]=4 191 B14R1.756 CCC(=O)N(C)CCc1ccccc1 11a_100000207497_100000210414 [0,0,2,0,0,0|2,0,0]=4 192 B14R1.756 CCC(=O)N(C)CCc1ccccc1 1626a_100000207497_100000210414 [0,0,2,0,0,0|2,0,0]=4 193 B14R1.756 CCC(=O)N(C)CCc1ccccc1 240690a_100000207497_100000210414 [0,0,2,0,0,0|2,0,0]=4 194 B14R1.756 CCC(=O)N(C)CCc1ccccc1 527a_100000207497_100000210414 [0,0,2,0,0,0|2,0,0]=4 195 B14R1.756 CCN(C)C(=O)CCc1ccccc1 11a_100000225621_100000185753 [0,0,2,0,0,0|1,1,0]=4 196 B14R1.756 CCN(C)C(=O)CCc1ccccc1 1626a_100000225621_100000185753 [0,0,2,0,0,0|1,1,0]=4 197 B14R1.756 CCN(C)C(=O)CCc1ccccc1 240690a_100000225621_100000185753 [0,0,2,0,0,0|1,1,0]=4 198 B14R1.756 CCN(C)C(=O)CCc1ccccc1 527a_100000225621_100000185753 [0,0,2,0,0,0|1,1,0]=4 199 B14R1.756 CCN(C)C(=O)NCc1ccccc1 2708a_100015324214_100000225621 [0,0,2,0,0,0|0,1,1]=4 200 B14R1.756 CCN(C)C(=O)NCc1ccccc1 273464a_100015324214_100000225621 [0,0,2,0,0,0|0,1,1]=4 201 B14R1.756 CNC(=O)N(C)CCc1ccccc1 2708a_100102657272_100000207497 [0,0,2,0,0,0|2,0,0]=4 202 B14R1.756 CNC(=O)N(C)CCc1ccccc1 273464a_100102657272_100000207497 [0,0,2,0,0,0|2,0,0]=4 203 B14R1.4194 CCN(CCc1ccccc1)C(=O)C 11a_100000741020_100015343762 [0,0,2,0,0,0|1,1,0]=4 204 B14R1.4194 CCN(CCc1ccccc1)C(=O)C 1626a_100000741020_100015343762 [0,0,2,0,0,0|1,1,0]=4 205 B14R1.4194 CCN(CCc1ccccc1)C(=O)C 240690a_100000741020_100015343762 [0,0,2,0,0,0|1,1,0]=4 206 B14R1.4194 CCN(CCc1ccccc1)C(=O)C 527a_100000741020_100103153847 [0,0,2,0,0,0|1,1,0]=4 207 B14R1.29 CCNC(=O)CC(C)c1ccccc1 11a_100015525214_100000183687 [0,0,2,0,0,0|1,1,0]=4 208 B14R1.29 CCNC(=O)CC(C)c1ccccc1 240690a_100015525214_100000183687 [0,0,2,0,0,0|1,1,0]=4 209 B14R1.29 CCNC(=O)CC(C)c1ccccc1 527a_100015525214_100000183687 [0,0,2,0,0,0|1,1,0]=4 210 B14R1.29 CCNC(=O)N[C@H](C)c1ccccc1 2708a_100000751104_100015525214 [0,0,2,0,0,0|0,1,1]=4 211 B14R1.29 CCNC(=O)N[C@H](C)c1ccccc1 2708a_100015525214_100000751104 [0,0,2,0,0,0|0,1,1]=4 212 B14R1.29 CCNC(=O)N[C@H](C)c1ccccc1 273464a_100000751104_100015525214 [0,0,2,0,0,0|0,1,1]=4 213 B14R1.29 CCNC(=O)N[C@H](C)c1ccccc1 273464a_100015525214_100000751104 [0,0,2,0,0,0|0,1,1]=4 214 B14R1.29 CCNC(=O)N[C@H](C)c1ccccc1 512a_100000751104_100015525214 [0,0,2,0,0,0|0,1,1]=4 215 B14R1.29 CCNC(=O)N[C@H](C)c1ccccc1 512a_100015525214_100000751104 [0,0,2,0,0,0|0,1,1]=4 216 B14R1.29 CSCN(C)CC(O)c1ccccc1 2230a_100000227976_100011218213 [0,0,2,0,0,0|1,0,1]=4 217 B14R1.29 CSCN(C)CC(O)c1ccccc1 269982a_100000227976_100011218213 [0,0,2,0,0,0|1,0,1]=4 218 B14R1.38 C=CCCNCC(C)c1ccccc1 2230a_100000701038_100000754431 [0,0,2,0,0,0|2,0,0]=4 219 B14R1.38 C=CCCNCC(C)c1ccccc1 2230a_100015191253_100000756946 [0,0,2,0,0,0|2,0,0]=4 220 B14R1.38 C=CCCNCC(C)c1ccccc1 270004a_100015191253_100000212034 [0,0,2,0,0,0|2,0,0]=4 221 B14R1.38 C=CCCNCC(C)c1ccccc1 34a_100000701038_100000754431 [0,0,2,0,0,0|2,0,0]=4 222 B14R1.38 C=CCCNCC(O)c1ccccc1 2230a_100000210709_100000754431 [0,0,2,0,0,0|2,0,0]=4 223 B14R1.38 C=CCCNCC(O)c1ccccc1 2230a_100015191253_100000185958 [0,0,2,0,0,0|2,0,0]=4 224 B14R1.38 C=CCCNC[C@@H](O)c1ccccc1 2230a_100015191253_100011933945 [0,0,2,0,0,0|2,0,0]=4 225 B14R1.38 CSCCNCC(C)c1ccccc1 2230a_100000701038_100000751147 [0,0,2,0,0,0|1,0,1]=4 226 B14R1.38 CSCCNCC(C)c1ccccc1 2230a_100020590264_100000756946 [0,0,2,0,0,0|1,0,1]=4 227 B14R1.38 CSCCNCC(C)c1ccccc1 270004a_100020590264_100000212034 [0,0,2,0,0,0|1,0,1]=4 228 B14R1.38 CSCCNCC(C)c1ccccc1 34a_100000701038_100000212216 [0,0,2,0,0,0|1,0,1]=4 229 B14R1.38 CSCCNCC(O)c1ccccc1 2230a_100000210709_100000751147 [0,0,2,0,0,0|1,0,1]=4 230 B14R1.38 CSCCNCC(O)c1ccccc1 2230a_100020590264_100000185958 [0,0,2,0,0,0|1,0,1]=4 231 B14R1.38 CSCCNC[C@@H](O)c1ccccc1 2230a_100020590264_100011933945 [0,0,2,0,0,0|1,0,1]=4 232 B16R3.2374 CC1SCCN1C2Cc3c2cccc3 269982a_200011216479_100009813401 [0,0,1,1,0,0|1,0,1]=4 233 B14R2.30 CC1SCCN1Cc2ccccc2 2230a_200011216479_100015291786 [0,0,1,0,1,0|1,0,1]=4 234 B14R2.30 CC1SCCN1Cc2ccccc2 269982a_200011216479_100000211182 [0,0,1,0,1,0|1,0,1]=4 235 B14R2.30 CC1SCCN1Cc2ccccc2 270004a_200011216479_100015611070 [0,0,1,0,1,0|1,0,1]=4 236 B14R2.30 CC1SCCN1Cc2ccccc2 34a_200011216479_100015291786 [0,0,1,0,1,0|1,0,1]=4 237 B14R2.30 CN1CCCC1Cc2ccccc2 2230a_100159249835_200000210301 [0,0,1,0,1,0|1,0,1]=4 238 B14R2.30 CN1CCCC1Cc2ccccc2 269982a_100159249835_200000210301 [0,0,1,0,1,0|1,0,1]=4 239 B14R2.30 CN1CCCC1Cc2ccccc2 34a_100159249835_200000210301 [0,0,1,0,1,0|1,0,1]=4 240 B14R2.30 [13CH3]N1CCCC1Cc2ccccc2 2230a_100159249835_200025704644 [0,0,1,0,1,0|1,0,1]=4 241 B14R2.30 [13CH3]N1CCCC1Cc2ccccc2 269982a_100159249835_200025704644 [0,0,1,0,1,0|1,0,1]=4 242 B14R2.30 [13CH3]N1CCCC1Cc2ccccc2 34a_100159249835_200025704644 [0,0,1,0,1,0|1,0,1]=4 243 B14R2.31 CC1CCN1CCc2ccccc2 269982a_100000755817_100000765856 [0,0,1,0,1,0|1,0,1]=4 244 B14R2.31 CC1CCN1CCc2ccccc2 34a_100000755817_100000765856 [0,0,1,0,1,0|1,0,1]=4 245 B14R2.114 CC(c1ccccc1)N2CCSC2 2230a_100011215254_100000230085 [0,0,1,0,1,0|1,0,1]=4 246 B14R2.114 CC(c1ccccc1)N2CCSC2 269982a_100011215254_100000230085 [0,0,1,0,1,0|1,0,1]=4 247 B14R2.794 CC(CN1CCC1)c2ccccc2 269982a_100000754969_100000756946 [0,0,1,0,1,0|1,0,1]=4 248 B16R2.252 CC1=CCCN(C1)CCc2ccccc2 2230a_100000725631_100000765856 [0,0,1,0,0,1|2,0,0]=4 249 B16R2.252 CC1=CCCN(C1)CCc2ccccc2 269982a_100000725631_100000765856 [0,0,1,0,0,1|2,0,0]=4 250 B16R2.252 CC1=CCCN(C1)CCc2ccccc2 34a_100000725631_100000765856 [0,0,1,0,0,1|2,0,0]=4 251 B16R2.252 O=C1CN(CCN1)CCc2ccccc2 2230a_100000184651_100000765856 [0,0,1,0,0,1|2,0,0]=4 252 B16R2.252 O=C1CN(CCO1)CCc2ccccc2 2230a_100000131268_100000765856 [0,0,1,0,0,1|1,1,0]=4 253 B16R2.3250 CC1CCCC1=NNCc2ccccc2 4a_100000007032_100000752053 [0,0,1,0,0,1|2,0,0]=4 254 B16R2.3250 CC1SCCN1CCCc2ccccc2 2230a_200011216479_100000211621 [0,0,1,0,0,1|1,0,1]=4 255 B16R2.3250 CC1SCCN1CCCc2ccccc2 269982a_200011216479_100000211621 [0,0,1,0,0,1|1,0,1]=4 256 B16R2.3250 CC1SCCN1CCCc2ccccc2 34a_200011216479_100000211621 [0,0,1,0,0,1|1,0,1]=4 257 B16R2.3250 CC1SCCN1CCOc2ccccc2 2230a_200011216479_100000184471 [0,0,1,0,0,1|1,0,1]=4 258 B16R2.3250 CC1SCCN1CCOc2ccccc2 269982a_200011216479_100000184471 [0,0,1,0,0,1|1,0,1]=4 259 B16R2.3250 CC1SCCN1CCOc2ccccc2 270004a_200011216479_100000758736 [0,0,1,0,0,1|1,0,1]=4 260 B16R2.3250 CC1SCCN1CCOc2ccccc2 34a_200011216479_100000184471 [0,0,1,0,0,1|1,0,1]=4 261 B16R2.3250 CC1SCCN1CCSc2ccccc2 2230a_200011216479_100000246102 [0,0,1,0,0,1|1,0,1]=4 262 B16R2.3250 CC1SCCN1CCSc2ccccc2 269982a_200011216479_100000246102 [0,0,1,0,0,1|1,0,1]=4 263 B16R2.3250 CC1SCCN1CCSc2ccccc2 34a_200011216479_100000246102 [0,0,1,0,0,1|1,0,1]=4 264 B16R2.3250 CC1SCCN1COCc2ccccc2 2230a_200011216479_100000763385 [0,0,1,0,0,1|1,0,1]=4 265 B16R2.3250 CC1SCCN1COCc2ccccc2 34a_200011216479_100000763385 [0,0,1,0,0,1|1,0,1]=4 266 B16R2.3250 CC1SCCN1CSCc2ccccc2 2230a_200011216479_200011217039 [0,0,1,0,0,1|1,0,1]=4 267 B16R2.3250 CC1SCCN1CSCc2ccccc2 269982a_200011216479_200011217039 [0,0,1,0,0,1|1,0,1]=4 268 B16R2.3250 CC1SCCN1CSCc2ccccc2 34a_200011216479_200011217039 [0,0,1,0,0,1|1,0,1]=4 269 B16R2.3250 O=C1CCCN1CCNc2ccccc2 34a_100000106764_100000739059 [0,0,1,0,0,1|2,0,0]=4 270 B16R2.3250 O=C1CCCN1CCOc2ccccc2 34a_100000210340_100000739059 [0,0,1,0,0,1|2,0,0]=4 271 B16R2.3250 O=C1CCCN1CCOc2ccccc2 7a_100000210340_100000739059 [0,0,1,0,0,1|2,0,0]=4 272 B16R2.3250 O=C1CCCN1CCSc2ccccc2 62a_100000719477_100000739059 [0,0,1,0,0,1|2,0,0]=4 273 B16R2.3250 O=C1CCCN1CCSc2ccccc2 62a_100000739059_100000041952 [0,0,1,0,0,1|2,0,0]=4 274 B16R2.3250 O=C1CCCN1CSCc2ccccc2 62a_100000026320_100015291786 [0,0,1,0,0,1|2,0,0]=4 275 B16R2.3250 O=C1CCCN1CSCc2ccccc2 62a_100000211182_100000026320 [0,0,1,0,0,1|2,0,0]=4 276 B16R2.3250 O=C1NCCN1CCOc2ccccc2 7a_100000210340_100000090651 [0,0,1,0,0,1|2,0,0]=4 277 B16R2.3250 O=C1NCCN1CCSc2ccccc2 62a_100000090651_100000041952 [0,0,1,0,0,1|2,0,0]=4 278 B16R2.3250 O=C1NCCN1CCSc2ccccc2 62a_100000719477_100000090651 [0,0,1,0,0,1|2,0,0]=4 279 B16R2.88 CC(CN1CC=CCC1)c2ccccc2 2230a_100000698166_100000756946 [0,0,1,0,0,1|2,0,0]=4 280 B16R2.88 CC(CN1CC=CCC1)c2ccccc2 269982a_100000698166_100000756946 [0,0,1,0,0,1|2,0,0]=4 281 B16R2.88 CC(CN1CC=CCC1)c2ccccc2 270004a_100000698166_100000212034 [0,0,1,0,0,1|2,0,0]=4 282 B16R2.88 CC(CN1CC=CCC1)c2ccccc2 34a_100000698166_100000756946 [0,0,1,0,0,1|2,0,0]=4 283 B16R2.88 CC(CN1CCSCC1)c2ccccc2 2230a_100000737611_100000756946 [0,0,1,0,0,1|1,0,1]=4 284 B16R2.88 CC(CN1CCSCC1)c2ccccc2 269982a_100000737611_100000756946 [0,0,1,0,0,1|1,0,1]=4 285 B16R2.88 CC(CN1CCSCC1)c2ccccc2 270004a_100000737611_100000212034 [0,0,1,0,0,1|1,0,1]=4 286 B16R2.88 OC(CN1CC=CCC1)c2ccccc2 2230a_100000698166_100000185958 [0,0,1,0,0,1|2,0,0]=4 287 B16R2.88 OC(CN1CC=CCC1)c2ccccc2 34a_100000698166_100000185958 [0,0,1,0,0,1|2,0,0]=4 288 B16R2.88 OC(CN1CCSCC1)c2ccccc2 2230a_100000737611_100000185958 [0,0,1,0,0,1|1,0,1]=4 289 B16R2.88 O[C@H](CN1CC=CCC1)c2ccccc2 2230a_100000698166_100011933945 [0,0,1,0,0,1|2,0,0]=4 290 B16R2.88 O[C@H](CN1CC=CCC1)c2ccccc2 34a_100000698166_100011933945 [0,0,1,0,0,1|2,0,0]=4 291 B16R2.88 O[C@H](CN1CCSCC1)c2ccccc2 2230a_100000737611_100011933945 [0,0,1,0,0,1|1,0,1]=4 292 B16R2.524 O[C@@H](Cc1ccccc1)CN2CCSC2 2230a_100011215254_100000729385 [0,0,1,0,0,1|1,0,1]=4 293 B16R2.524 O[C@@H](Cc1ccccc1)CN2CCSC2 269982a_100011215254_100000729385 [0,0,1,0,0,1|1,0,1]=4 294 B16R2.5767 CC(CCN1CCSC1)c2ccccc2 270004a_100011215254_100000189432 [0,0,1,0,0,1|1,0,1]=4 295 B16R2.5767 CC(SCC1=NCCN1)c2ccccc2 62a_100000230085_100000737910 [0,0,1,0,0,1|2,0,0]=4 296 B16R2.5767 CC(SCC1=NCCN1)c2ccccc2 62a_100000737910_100000230085 [0,0,1,0,0,1|2,0,0]=4 297 B16R2.5767 C[C@@H](OCC1=NCCN1)c2ccccc2 34a_100000761318_100000737910 [0,0,1,0,0,1|2,0,0]=4 298 B16R2.5767 C[C@@H](OCC1=NCCN1)c2ccccc2 7a_100000761318_100000737910 [0,0,1,0,0,1|2,0,0]=4 299 B16R2.5767 O[C@H](CCN1CCSC1)c2ccccc2 2230a_100011215254_100000729684 [0,0,1,0,0,1|1,0,1]=4 300 B16R2.5767 O[C@H](CCN1CCSC1)c2ccccc2 269982a_100011215254_100000729684 [0,0,1,0,0,1|1,0,1]=4