0 B17R2.73242 C=C(C)CSc1c[nH]c2c1cc(cn2)OC 62a_100000748629_100010199036 [0,0,0,0,0,0|3,0,1]=4 1 B17R2.73242 C=C(C)CSc1c[nH]c2c1cc(nc2)OC 62a_100000748629_200010163580 [0,0,0,0,0,0|3,0,1]=4 2 B17R2.73242 C=C(C)CSc1c[nH]c2c1nc(cc2)OC 62a_100000748629_100010199035 [0,0,0,0,0,0|3,0,1]=4 3 B17R2.73242 C=C(C)CSc1n[nH]c2c1cc(cc2)OC 62a_100000748629_100012353730 [0,0,0,0,0,0|3,0,1]=4 4 B17R2.73242 COc1cc2c(c[nH]c2cn1)C=CC(C)C 271570a_100016257149_200010163580 [0,0,0,0,0,0|2,0,2]=4 5 B17R2.73242 COc1cc2c(c[nH]c2cn1)SCC(C)C 62a_100000210624_200010163580 [0,0,0,0,0,0|3,0,0]=3 6 B17R2.73242 COc1cc2c(c[nH]c2cn1)SCC(C)O 62a_100011218427_200010163580 [0,0,0,0,0,0|4,0,0]=4 7 B17R2.73242 COc1cc2c(c[nH]c2cn1)SC[C@@H](C)O 62a_100009817552_200010163580 [0,0,0,0,0,0|4,0,0]=4 8 B17R2.73242 COc1ccc2[nH]cc(c2c1)CCC(=O)C 1458a_100010000191_200000210301 [0,0,0,0,0,0|2,0,0]=2 9 B17R2.73242 COc1ccc2[nH]cc(c2c1)CCC(=O)[13CH3] 1458a_100010000191_200025704644 [0,0,0,0,0,0|2,0,0]=2 10 B17R2.73242 COc1ccc2[nH]cc(c2c1)CNC(=O)C 11a_100000084035_100015343762 [0,0,0,0,0,0|3,0,0]=3 11 B17R2.73242 COc1ccc2[nH]cc(c2c1)CNC(=O)C 240690a_100000084035_100015343762 [0,0,0,0,0,0|3,0,0]=3 12 B17R2.73242 COc1ccc2[nH]cc(c2c1)CNC(=O)C 527a_100000084035_100103153847 [0,0,0,0,0,0|3,0,0]=3 13 B17R2.73242 COc1ccc2[nH]cc(c2n1)C=CC(C)C 271570a_100016257149_100010199035 [0,0,0,0,0,0|2,0,2]=4 14 B17R2.73242 COc1ccc2[nH]cc(c2n1)SCC(C)C 62a_100000210624_100010199035 [0,0,0,0,0,0|3,0,0]=3 15 B17R2.73242 COc1ccc2[nH]cc(c2n1)SCC(C)O 62a_100011218427_100010199035 [0,0,0,0,0,0|4,0,0]=4 16 B17R2.73242 COc1ccc2[nH]cc(c2n1)SC[C@@H](C)O 62a_100009817552_100010199035 [0,0,0,0,0,0|4,0,0]=4 17 B17R2.73242 COc1ccc2[nH]nc(c2c1)C=CC(C)C 271570a_100016257149_100012353730 [0,0,0,0,0,0|2,0,2]=4 18 B17R2.73242 COc1ccc2[nH]nc(c2c1)CNC(C)C 207a_100138425928_100000084273 [0,0,0,0,0,0|3,0,0]=3 19 B17R2.73242 COc1ccc2[nH]nc(c2c1)SCC(C)C 62a_100000210624_100012353730 [0,0,0,0,0,0|3,0,0]=3 20 B17R2.73242 COc1ccc2[nH]nc(c2c1)SCC(C)O 62a_100011218427_100012353730 [0,0,0,0,0,0|4,0,0]=4 21 B17R2.73242 COc1ccc2[nH]nc(c2c1)SC[C@@H](C)O 62a_100009817552_100012353730 [0,0,0,0,0,0|4,0,0]=4 22 B17R2.73242 COc1ccc2[nH]nc(c2n1)SCC(C)C 62a_100000210624_200010246295 [0,0,0,0,0,0|4,0,0]=4 23 B17R2.73242 COc1cnc2[nH]cc(c2c1)C=CC(C)C 271570a_100016257149_100010199036 [0,0,0,0,0,0|2,0,2]=4 24 B17R2.73242 COc1cnc2[nH]cc(c2c1)SCC(C)C 62a_100000210624_100010199036 [0,0,0,0,0,0|3,0,0]=3 25 B17R2.73242 COc1cnc2[nH]cc(c2c1)SCC(C)O 62a_100011218427_100010199036 [0,0,0,0,0,0|4,0,0]=4 26 B17R2.73242 COc1cnc2[nH]cc(c2c1)SC[C@@H](C)O 62a_100009817552_100010199036 [0,0,0,0,0,0|4,0,0]=4 27 B16R2.15551 CC(=O)CCc1c[nH]c2c1cc(cc2)Br 1458a_100009828173_200000210301 [1,0,0,0,0,0|3,0,0]=4 28 B16R2.15551 Cc1ccc2[nH]cc(c2n1)SCC(C)C 62a_100000210624_100010212567 [1,0,0,0,0,0|3,0,0]=4 29 B16R2.15551 Cc1ccc2[nH]nc(c2c1)CNC(C)C 207a_100138425928_100000050950 [1,0,0,0,0,0|3,0,0]=4 30 B16R2.15551 Cc1ccc2[nH]nc(c2c1)SCC(C)C 62a_100000210624_100000123028 [1,0,0,0,0,0|3,0,0]=4 31 B16R2.15551 Cc1cnc2[nH]cc(c2c1)SCC(C)C 62a_100000210624_100010246215 [1,0,0,0,0,0|3,0,0]=4 32 B16R2.15551 [13CH3]C(=O)CCc1c[nH]c2c1cc(cc2)Br 1458a_100009828173_200025704644 [1,0,0,0,0,0|3,0,0]=4 33 B16R2.163638 CCCCc1c[nH]c2c1cc(cn2)OC 271570a_100020621405_100010199036 [1,0,0,0,0,0|2,0,0]=3 34 B16R2.163638 CCCCc1c[nH]c2c1cc(nc2)OC 271570a_100020621405_200010163580 [1,0,0,0,0,0|2,0,0]=3 35 B16R2.163638 CCCCc1c[nH]c2c1nc(cc2)OC 271570a_100020621405_100010199035 [1,0,0,0,0,0|2,0,0]=3 36 B16R2.163638 CCCCc1n[nH]c2c1cc(cc2)OC 271570a_100020621405_100012353730 [1,0,0,0,0,0|2,0,0]=3 37 B16R2.163638 CCCCc1n[nH]c2c1nc(cc2)OC 271570a_100020621405_200010246295 [1,0,0,0,0,0|3,0,0]=4 38 B16R2.163638 CCCSc1c[nH]c2c1cc(cn2)OC 62a_100000210303_100010199036 [1,0,0,0,0,0|3,0,0]=4 39 B16R2.163638 CCCSc1c[nH]c2c1cc(nc2)OC 62a_100000210303_200010163580 [1,0,0,0,0,0|3,0,0]=4 40 B16R2.163638 CCCSc1c[nH]c2c1nc(cc2)OC 62a_100000210303_100010199035 [1,0,0,0,0,0|3,0,0]=4 41 B16R2.163638 CCCSc1n[nH]c2c1cc(cc2)OC 62a_100000210303_100012353730 [1,0,0,0,0,0|3,0,0]=4 42 B16R2.163638 CCNCc1c[nH]c2c1cc(cc2)OC 270004a_100015525214_100000748866 [1,0,0,0,0,0|2,0,0]=3 43 B16R2.163638 CCNCc1n[nH]c2c1cc(cc2)OC 207a_100015525214_100000084273 [1,0,0,0,0,0|3,0,0]=4 44 B16R2.163638 CCNCc1n[nH]c2c1cc(cc2)OC 270004a_100015525214_100000084273 [1,0,0,0,0,0|3,0,0]=4 45 B16R2.163638 CNCCc1c[nH]c2c1cc(cc2)OC 2230a_100000755253_200000210301 [1,0,0,0,0,0|0,0,0]=1 46 B16R2.163638 COCCc1c[nH]c2c1cc(cc2)OC 34a_200011933912_200000210301 [1,0,0,0,0,0|1,0,0]=2 47 B16R2.163638 COCSc1c[nH]c2c1cc(cn2)OC 62a_100000766300_100010199036 [1,0,0,0,0,0|3,0,0]=4 48 B16R2.163638 COCSc1c[nH]c2c1cc(nc2)OC 62a_100000766300_200010163580 [1,0,0,0,0,0|3,0,0]=4 49 B16R2.163638 COCSc1c[nH]c2c1nc(cc2)OC 62a_100000766300_100010199035 [1,0,0,0,0,0|3,0,0]=4 50 B16R2.163638 COCSc1n[nH]c2c1cc(cc2)OC 62a_100000766300_100012353730 [1,0,0,0,0,0|3,0,0]=4 51 B16R2.163638 COc1cc2c(c[nH]c2cn1)SCSC 62a_100011218213_200010163580 [1,0,0,0,0,0|3,0,0]=4 52 B16R2.163638 COc1ccc2[nH]cc(c2c1)CCN[13CH3] 2230a_100000755253_200025704644 [1,0,0,0,0,0|0,0,0]=1 53 B16R2.163638 COc1ccc2[nH]cc(c2c1)CCO[13CH3] 34a_200011933912_200025704644 [1,0,0,0,0,0|1,0,0]=2 54 B16R2.163638 COc1ccc2[nH]cc(c2n1)SCSC 62a_100011218213_100010199035 [1,0,0,0,0,0|3,0,0]=4 55 B16R2.163638 COc1ccc2[nH]nc(c2c1)SCSC 62a_100011218213_100012353730 [1,0,0,0,0,0|3,0,0]=4 56 B16R2.163638 COc1cnc2[nH]cc(c2c1)SCSC 62a_100011218213_100010199036 [1,0,0,0,0,0|3,0,0]=4 57 B16R2.163638 CSc1ccc2[nH]cc(c2c1)CCCO 62a_100102583652_200000210301 [1,0,0,0,0,0|2,1,0]=4 58 B16R2.163638 CSc1ccc2[nH]cc(c2c1)CCCO 62a_200000210301_100102583652 [1,0,0,0,0,0|2,1,0]=4 59 B16R2.163638 [13CH3]Sc1ccc2[nH]cc(c2c1)CCCO 62a_100102583652_200025704644 [1,0,0,0,0,0|2,1,0]=4 60 B16R2.163638 [13CH3]Sc1ccc2[nH]cc(c2c1)CCCO 62a_200025704644_100102583652 [1,0,0,0,0,0|2,1,0]=4 61 B18R2.120969 COc1cc2c(c[nH]c2cn1)[C@@H](N)CC(C)C 271570a_100015190218_200010163580 [0,1,0,0,0,0|2,0,0]=3 62 B18R2.120969 COc1ccc2[nH]cc(c2n1)[C@@H](N)CC(C)C 271570a_100015190218_100010199035 [0,1,0,0,0,0|2,0,0]=3 63 B18R2.120969 COc1ccc2[nH]nc(c2c1)[C@@H](N)CC(C)C 271570a_100015190218_100012353730 [0,1,0,0,0,0|2,0,0]=3 64 B18R2.120969 COc1ccc2[nH]nc(c2n1)[C@@H](N)CC(C)C 271570a_100015190218_200010246295 [0,1,0,0,0,0|3,0,0]=4 65 B18R2.120969 COc1cnc2[nH]cc(c2c1)[C@@H](N)CC(C)C 271570a_100015190218_100010199036 [0,1,0,0,0,0|2,0,0]=3 66 B18R2.120970 CCc1ccc2[nH]cc(c2c1)CC(=O)C(C)C 1458a_100000049097_100000210206 [0,1,0,0,0,0|2,0,1]=4 67 B18R2.120970 CCc1ccc2[nH]cc(c2c1)CC(=O)N(C)C 11a_100102631434_100000049097 [0,1,0,0,0,0|1,0,1]=3 68 B18R2.120970 CCc1ccc2[nH]cc(c2c1)CC(=O)N(C)C 240690a_100102631434_100000049097 [0,1,0,0,0,0|1,0,1]=3 69 B18R2.120970 CCc1ccc2[nH]cc(c2c1)CC(=O)N(C)C 527a_100102631434_100000049097 [0,1,0,0,0,0|1,0,1]=3 70 B18R2.120970 COc1ccc2[nH]cc(c2c1)CC(=O)C(C)C 1458a_100000739362_100000210206 [0,1,0,0,0,0|1,0,1]=3 71 B18R2.120970 COc1ccc2[nH]cc(c2c1)CC(=O)N(C)C 240690a_100102631434_100000739362 [0,1,0,0,0,0|0,0,1]=2 72 B18R2.120970 COc1ccc2[nH]cc(c2c1)CC(=O)N(C)C 527a_100102631434_100000739362 [0,1,0,0,0,0|0,0,1]=2 73 B18R2.120970 COc1ccc2[nH]cc(c2c1)CN(C)C(C)C 270004a_200000211004_100000748866 [0,1,0,0,0,0|2,0,0]=3 74 B18R2.120970 COc1ccc2[nH]nc(c2c1)CN(C)C(C)C 270004a_200000211004_100000084273 [0,1,0,0,0,0|3,0,0]=4 75 B18R2.120972 C#CC(C)NCc1c[nH]c2c1cc(cc2)OC 270004a_100000707721_100000748866 [0,1,0,0,0,0|2,0,1]=4 76 B18R2.120972 CCC(=O)CCc1c[nH]c2c1cc(cc2)OC 1458a_100010000191_100000210202 [0,1,0,0,0,0|2,0,0]=3 77 B18R2.120972 CCC(=O)NCc1c[nH]c2c1cc(cc2)OC 11a_100000084035_100000210414 [0,1,0,0,0,0|3,0,0]=4 78 B18R2.120972 CCC(=O)NCc1c[nH]c2c1cc(cc2)OC 240690a_100000084035_100000210414 [0,1,0,0,0,0|3,0,0]=4 79 B18R2.120972 CCC(=O)NCc1c[nH]c2c1cc(cc2)OC 527a_100000084035_100000210414 [0,1,0,0,0,0|3,0,0]=4 80 B18R2.120972 CCC(C)CSc1c[nH]c2c1cc(cn2)OC 62a_100000748023_100010199036 [0,1,0,0,0,0|3,0,0]=4 81 B18R2.120972 CCC(C)CSc1c[nH]c2c1cc(nc2)OC 62a_100000748023_200010163580 [0,1,0,0,0,0|3,0,0]=4 82 B18R2.120972 CCC(C)CSc1c[nH]c2c1nc(cc2)OC 62a_100000748023_100010199035 [0,1,0,0,0,0|3,0,0]=4 83 B18R2.120972 CCC(C)CSc1n[nH]c2c1cc(cc2)OC 62a_100000748023_100012353730 [0,1,0,0,0,0|3,0,0]=4 84 B18R2.120972 CCC(C)NCc1c[nH]c2c1cc(cc2)OC 270004a_100000209981_100000748866 [0,1,0,0,0,0|2,0,0]=3 85 B18R2.120972 CCC(C)NCc1n[nH]c2c1cc(cc2)OC 207a_100000209981_100000084273 [0,1,0,0,0,0|3,0,0]=4 86 B18R2.120972 CCC(C)NCc1n[nH]c2c1cc(cc2)OC 270004a_100000209981_100000084273 [0,1,0,0,0,0|3,0,0]=4 87 B18R2.120972 CC[C@H](C)CSc1c[nH]c2c1cc(cn2)OC 62a_100009816398_100010199036 [0,1,0,0,0,0|3,0,0]=4 88 B18R2.120972 CC[C@H](C)CSc1c[nH]c2c1cc(nc2)OC 62a_100009816398_200010163580 [0,1,0,0,0,0|3,0,0]=4 89 B18R2.120972 CC[C@H](C)CSc1c[nH]c2c1nc(cc2)OC 62a_100009816398_100010199035 [0,1,0,0,0,0|3,0,0]=4 90 B18R2.120972 CC[C@H](C)CSc1n[nH]c2c1cc(cc2)OC 62a_100009816398_100012353730 [0,1,0,0,0,0|3,0,0]=4 91 B18R2.120972 CNC(=O)CCc1c[nH]c2c1cc(cc2)OC 11a_106832991635_100010000191 [0,1,0,0,0,0|2,0,0]=3 92 B18R2.120972 CNC(=O)CCc1c[nH]c2c1cc(cc2)OC 240690a_100102657272_100010000191 [0,1,0,0,0,0|2,0,0]=3 93 B18R2.120972 CNC(=O)CCc1c[nH]c2c1cc(cc2)OC 527a_100102657272_100010000191 [0,1,0,0,0,0|2,0,0]=3 94 B18R2.120972 CNC(=O)NCc1c[nH]c2c1cc(cc2)OC 2708a_100000084035_106832991635 [0,1,0,0,0,0|3,0,0]=4 95 B18R2.120972 CNC(=O)NCc1c[nH]c2c1cc(cc2)OC 2708a_100102657272_100000084035 [0,1,0,0,0,0|3,0,0]=4 96 B18R2.120972 CNC(=O)NCc1c[nH]c2c1cc(cc2)OC 273464a_100102657272_100000084035 [0,1,0,0,0,0|3,0,0]=4 97 B18R2.120972 CNC(=O)NCc1c[nH]c2c1cc(cc2)OC 512a_100000084035_100102657272 [0,1,0,0,0,0|3,0,0]=4 98 B18R2.120972 CNC(=O)NCc1c[nH]c2c1cc(cc2)OC 512a_106832991638_100000084035 [0,1,0,0,0,0|3,0,0]=4 99 B18R2.120972 COC(=O)CCc1c[nH]c2c1cc(cc2)SC 62a_200000210301_100010888593 [0,1,0,0,0,0|2,1,0]=4 100 B18R2.120972 COC(=O)CCc1c[nH]c2c1cc(cc2)S[13CH3] 62a_200025704644_100010888593 [0,1,0,0,0,0|2,1,0]=4 101 B18R2.120972 COc1cc2c(c[nH]c2cn1)SC[C@@H](C)CO 62a_100000059175_200010163580 [0,1,0,0,0,0|3,0,0]=4 102 B18R2.120972 COc1ccc2[nH]cc(c2c1)CCC(=O)CF 1458a_100010000191_100015361967 [0,1,0,0,0,0|2,0,0]=3 103 B18R2.120972 COc1ccc2[nH]cc(c2c1)CNC(=O)CO 240690a_100000084035_100000210174 [0,1,0,0,0,0|3,0,0]=4 104 B18R2.120972 COc1ccc2[nH]cc(c2c1)CNC(=O)CO 527a_100000084035_100000210174 [0,1,0,0,0,0|3,0,0]=4 105 B18R2.120972 COc1ccc2[nH]cc(c2c1)CN[C@H](C)CF 270004a_100102880703_100000748866 [0,1,0,0,0,0|2,0,0]=3 106 B18R2.120972 COc1ccc2[nH]cc(c2c1)CN[C@H](C)CO 270004a_100000737577_100000748866 [0,1,0,0,0,0|2,0,0]=3 107 B18R2.120972 COc1ccc2[nH]cc(c2n1)SC[C@@H](C)CO 62a_100000059175_100010199035 [0,1,0,0,0,0|3,0,0]=4 108 B18R2.120972 COc1ccc2[nH]nc(c2c1)CN[C@H](C)CF 207a_100102880703_100000084273 [0,1,0,0,0,0|3,0,0]=4 109 B18R2.120972 COc1ccc2[nH]nc(c2c1)CN[C@H](C)CF 270004a_100102880703_100000084273 [0,1,0,0,0,0|3,0,0]=4 110 B18R2.120972 COc1ccc2[nH]nc(c2c1)CN[C@H](C)CO 207a_100000737577_100000084273 [0,1,0,0,0,0|3,0,0]=4 111 B18R2.120972 COc1ccc2[nH]nc(c2c1)CN[C@H](C)CO 270004a_100000737577_100000084273 [0,1,0,0,0,0|3,0,0]=4 112 B18R2.120972 COc1ccc2[nH]nc(c2c1)SC[C@@H](C)CO 62a_100000059175_100012353730 [0,1,0,0,0,0|3,0,0]=4 113 B18R2.120972 COc1cnc2[nH]cc(c2c1)SC[C@@H](C)CO 62a_100000059175_100010199036 [0,1,0,0,0,0|3,0,0]=4 114 B18R2.173884 COc1ccc2c(c1)C(=NNC(C)C)C(=O)N2 4a_100000741168_100000183588 [0,1,0,0,0,0|3,0,0]=4 115 B18R2.820545 COc1ccc2c(c1)c(cn2C)COC(C)C 34a_100000077082_100000210206 [0,1,0,0,0,0|2,0,0]=3 116 B18R2.820545 COc1ccc2c(c1)c(nn2C)SCC(C)C 62a_100000210624_100010988832 [0,1,0,0,0,0|3,0,0]=4 117 B18R2.867030 COc1cc2c(c[nH]c2cn1)SCC(C)(C)C 62a_100011219605_200010163580 [0,1,0,0,0,0|3,0,0]=4 118 B18R2.867030 COc1cc2c(c[nH]c2cn1)SCC(C)(C)F 62a_100011997219_200010163580 [0,1,0,0,0,0|3,0,0]=4 119 B18R2.867030 COc1cc2c(c[nH]c2cn1)SCC(C)(C)O 62a_100000764493_200010163580 [0,1,0,0,0,0|3,0,0]=4 120 B18R2.867030 COc1cc2c(c[nH]c2cn1)SC[N+](C)(C)C 62a_200000036245_200010163580 [0,1,0,0,0,0|2,0,1]=4 121 B18R2.867030 COc1cc2c(c[nH]c2cn1)SC[Si](C)(C)C 62a_100000037933_200010163580 [0,1,0,0,0,0|3,0,0]=4 122 B18R2.867030 COc1ccc2[nH]cc(c2c1)CNS(=O)(=O)C 40a_100000084035_100000738038 [0,1,0,0,0,0|3,0,0]=4 123 B18R2.867030 COc1ccc2[nH]cc(c2n1)SCC(C)(C)C 62a_100011219605_100010199035 [0,1,0,0,0,0|3,0,0]=4 124 B18R2.867030 COc1ccc2[nH]cc(c2n1)SCC(C)(C)F 62a_100011997219_100010199035 [0,1,0,0,0,0|3,0,0]=4 125 B18R2.867030 COc1ccc2[nH]cc(c2n1)SCC(C)(C)O 62a_100000764493_100010199035 [0,1,0,0,0,0|3,0,0]=4 126 B18R2.867030 COc1ccc2[nH]cc(c2n1)SC[N+](C)(C)C 62a_200000036245_100010199035 [0,1,0,0,0,0|2,0,1]=4 127 B18R2.867030 COc1ccc2[nH]cc(c2n1)SC[Si](C)(C)C 62a_100000037933_100010199035 [0,1,0,0,0,0|3,0,0]=4 128 B18R2.867030 COc1ccc2[nH]nc(c2c1)CNC(C)(C)C 207a_100000715429_100000084273 [0,1,0,0,0,0|3,0,0]=4 129 B18R2.867030 COc1ccc2[nH]nc(c2c1)SCC(C)(C)C 62a_100011219605_100012353730 [0,1,0,0,0,0|3,0,0]=4 130 B18R2.867030 COc1ccc2[nH]nc(c2c1)SCC(C)(C)F 62a_100011997219_100012353730 [0,1,0,0,0,0|3,0,0]=4 131 B18R2.867030 COc1ccc2[nH]nc(c2c1)SCC(C)(C)O 62a_100000764493_100012353730 [0,1,0,0,0,0|3,0,0]=4 132 B18R2.867030 COc1ccc2[nH]nc(c2c1)SC[N+](C)(C)C 62a_200000036245_100012353730 [0,1,0,0,0,0|2,0,1]=4 133 B18R2.867030 COc1ccc2[nH]nc(c2c1)SC[Si](C)(C)C 62a_100000037933_100012353730 [0,1,0,0,0,0|3,0,0]=4 134 B18R2.867030 COc1cnc2[nH]cc(c2c1)SCC(C)(C)C 62a_100011219605_100010199036 [0,1,0,0,0,0|3,0,0]=4 135 B18R2.867030 COc1cnc2[nH]cc(c2c1)SCC(C)(C)F 62a_100011997219_100010199036 [0,1,0,0,0,0|3,0,0]=4 136 B18R2.867030 COc1cnc2[nH]cc(c2c1)SCC(C)(C)O 62a_100000764493_100010199036 [0,1,0,0,0,0|3,0,0]=4 137 B18R2.867030 COc1cnc2[nH]cc(c2c1)SC[N+](C)(C)C 62a_200000036245_100010199036 [0,1,0,0,0,0|2,0,1]=4 138 B18R2.867030 COc1cnc2[nH]cc(c2c1)SC[Si](C)(C)C 62a_100000037933_100010199036 [0,1,0,0,0,0|3,0,0]=4 139 B16R1.2 COc1ccc(cc1)CCCCCN(C)C 2230a_100102631434_200011216517 [0,0,1,0,0,0|1,0,2]=4 140 B16R1.2 COc1ccc(cc1)CCCCCN(C)C 269982a_100102631434_200011216517 [0,0,1,0,0,0|1,0,2]=4 141 B16R1.2 COc1ccc(cc1)CCNCCN(C)C 270004a_100000210585_100011242372 [0,0,1,0,0,0|2,0,1]=4 142 B16R1.2 COc1ccc(cc1)CCOCCN(C)C 7a_100011219623_100000755713 [0,0,1,0,0,0|2,0,1]=4 143 B16R1.2 COc1ccc(cc1)CCSCCN(C)C 62a_100011713689_100000755713 [0,0,1,0,0,0|2,0,1]=4 144 B16R1.2 COc1ccc(cc1)CNCCCN(C)C 207a_102531767803_100000169835 [0,0,1,0,0,0|2,0,1]=4 145 B16R1.2 COc1ccc(cc1)CNCCCN(C)C 270004a_102531767803_100000169835 [0,0,1,0,0,0|2,0,1]=4 146 B16R1.2 COc1ccc(cc1)NCCCCC(C)C 34a_100000184247_100011216152 [0,0,1,0,0,0|1,0,2]=4 147 B16R1.2 COc1ccc(cc1)NN=CC=CN(C)C 4a_100000005221_100000735856 [0,0,1,0,0,0|1,0,2]=4 148 B16R1.2 COc1ccc(cc1)OCCCCN(C)C 2230a_100102631434_200011219332 [0,0,1,0,0,0|1,0,2]=4 149 B16R1.2 COc1ccc(cc1)OCCCCN(C)C 269982a_100102631434_200011219332 [0,0,1,0,0,0|1,0,2]=4 150 B16R1.5381 CCN(CCN(C)C)c1cccc(c1)OC 269982a_100000219733_100000755713 [0,0,1,0,0,0|2,0,1]=4 151 B16R1.5681 COc1ccc(c(c1)NCCN(C)C)C#N 7a_100000687564_100000755713 [0,0,1,0,0,0|3,0,0]=4 152 B16R1.5681 COc1ccc(c(c1)OCCN(C)C)C#N 7a_100011999188_100000755713 [0,0,1,0,0,0|3,0,0]=4 153 B16R1.5681 COc1ccc(c(c1)OCCN(C)C)N=O 7a_200010658452_100000755713 [0,0,1,0,0,0|2,0,1]=4 154 B16R1.5681 COc1ccc(c(c1)SCCN(C)C)C=O 62a_100000723261_100000755713 [0,0,1,0,0,0|3,0,0]=4 155 B16R1.5681 COc1ccc(c(c1)SCCN(C)C)CO 62a_100011982768_100000755713 [0,0,1,0,0,0|3,0,0]=4 156 B16R1.5681 COc1ccc(c(c1)SCCN(C)C)OC 62a_100011215452_100000755713 [0,0,1,0,0,0|2,0,1]=4 157 B16R1.20153 COc1ccc(c(c1)C(=O)CCC(C)C)Br 1458a_100000211723_100000210312 [0,0,1,0,0,0|3,0,0]=4 158 B16R1.20153 COc1ccc(c(c1)C(=O)CCC(C)C)C 1458a_100011399813_100000210312 [0,0,1,0,0,0|3,0,0]=4 159 B16R1.20153 COc1ccc(c(c1)C(=O)CCC(C)C)Cl 1458a_100000763818_100000210312 [0,0,1,0,0,0|3,0,0]=4 160 B16R1.20153 COc1ccc(c(c1)C(=O)CCC(C)C)F 1458a_100011217016_100000210312 [0,0,1,0,0,0|3,0,0]=4 161 B16R1.20153 COc1ccc(c(c1)C(=O)CCC(C)C)I 1458a_100012339533_100000210312 [0,0,1,0,0,0|3,0,0]=4 162 B16R1.20153 COc1ccc(c(c1)C(=O)CCC(C)C)O 1458a_100000211986_100000210312 [0,0,1,0,0,0|3,0,0]=4 163 B18R3.172984 COc1ccc2[nH]c3c(c2c1)CCN(C3)C 2230a_100015313494_200000210301 [0,0,0,1,0,0|0,0,0]=1 164 B18R3.172984 COc1ccc2[nH]c3c(c2c1)CCN(C3)C 269982a_100015313494_200000210301 [0,0,0,1,0,0|0,0,0]=1 165 B18R3.172984 COc1ccc2[nH]c3c(c2c1)CCN(C3)[13CH3] 2230a_100015313494_200025704644 [0,0,0,1,0,0|0,0,0]=1 166 B18R3.172984 COc1ccc2[nH]c3c(c2c1)CCN(C3)[13CH3] 269982a_100015313494_200025704644 [0,0,0,1,0,0|0,0,0]=1 167 B18R3.174956 COc1cc2c(c[nH]c2cn1)SCC3CC3 62a_100000756562_200010163580 [0,0,0,1,0,0|3,0,0]=4 168 B18R3.174956 COc1ccc2[nH]cc(c2n1)SCC3CC3 62a_100000756562_100010199035 [0,0,0,1,0,0|3,0,0]=4 169 B18R3.174956 COc1ccc2[nH]nc(c2c1)SCC3CC3 62a_100000756562_100012353730 [0,0,0,1,0,0|3,0,0]=4 170 B18R3.174956 COc1cnc2[nH]cc(c2c1)SCC3CC3 62a_100000756562_100010199036 [0,0,0,1,0,0|3,0,0]=4 171 B16R2.42567 C=Cc1ccc2[nH]cc(c2c1)CN(C)C 271570a_100011290941_100000728258 [0,0,0,0,1,0|1,0,1]=3 172 B16R2.42567 C=Cc1cnc2[nH]cc(c2c1)CN(C)C 271570a_100011290941_200010174824 [0,0,0,0,1,0|2,0,1]=4 173 B16R2.42567 CCc1ccc2[nH]cc(c2c1)CC(=O)C 1458a_100000049097_200000210301 [0,0,0,0,1,0|3,0,0]=4 174 B16R2.42567 CCc1ccc2[nH]cc(c2c1)CC(=O)[13CH3] 1458a_100000049097_200025704644 [0,0,0,0,1,0|3,0,0]=4 175 B16R2.42567 CN(C)Cc1c[nH]c2c1cc(cc2)S[13CH3] 62a_200025704644_100000728258 [0,0,0,0,1,0|0,1,0]=2 176 B16R2.42567 CN(C)Cc1c[nH]c2c1cc(cn2)S[13CH3] 62a_200025704644_200010174824 [0,0,0,0,1,0|1,1,0]=3 177 B16R2.42567 COc1cc2c(c[nH]c2cn1)C=C(C)C 271570a_100102525489_200010163580 [0,0,0,0,1,0|2,0,1]=4 178 B16R2.42567 COc1cc2c(c[nH]c2cn1)SC(C)C 62a_100000210206_200010163580 [0,0,0,0,1,0|3,0,0]=4 179 B16R2.42567 COc1ccc2[nH]cc(c2c1)CC(=O)C 1458a_100000739362_200000210301 [0,0,0,0,1,0|2,0,0]=3 180 B16R2.42567 COc1ccc2[nH]cc(c2c1)CC(=O)[13CH3] 1458a_100000739362_200025704644 [0,0,0,0,1,0|2,0,0]=3 181 B16R2.42567 COc1ccc2[nH]cc(c2c1)CN(C)C 270004a_100102631434_100000748866 [0,0,0,0,1,0|0,0,0]=1 182 B16R2.42567 COc1ccc2[nH]cc(c2n1)C=C(C)C 271570a_100102525489_100010199035 [0,0,0,0,1,0|2,0,1]=4 183 B16R2.42567 COc1ccc2[nH]cc(c2n1)SC(C)C 62a_100000210206_100010199035 [0,0,0,0,1,0|3,0,0]=4 184 B16R2.42567 COc1ccc2[nH]nc(c2c1)C=C(C)C 271570a_100102525489_100012353730 [0,0,0,0,1,0|2,0,1]=4 185 B16R2.42567 COc1ccc2[nH]nc(c2c1)CN(C)C 270004a_100102631434_100000084273 [0,0,0,0,1,0|1,0,0]=2 186 B16R2.42567 COc1ccc2[nH]nc(c2c1)SC(C)C 62a_100000210206_100012353730 [0,0,0,0,1,0|3,0,0]=4 187 B16R2.42567 COc1cnc2[nH]cc(c2c1)C=C(C)C 271570a_100102525489_100010199036 [0,0,0,0,1,0|2,0,1]=4 188 B16R2.42567 COc1cnc2[nH]cc(c2c1)SC(C)C 62a_100000210206_100010199036 [0,0,0,0,1,0|3,0,0]=4 189 B16R2.42567 CSc1ccc2[nH]cc(c2c1)CN(C)C 62a_200000210301_100000728258 [0,0,0,0,1,0|0,1,0]=2 190 B16R2.42567 CSc1cnc2[nH]cc(c2c1)CN(C)C 62a_200000210301_200010174824 [0,0,0,0,1,0|1,1,0]=3 191 B18R2.17886 COc1ccc2c(c1)CN(CC2)CCN(C)C 269982a_100015207042_100000755713 [0,0,0,0,0,1|2,0,1]=4 192 B18R2.17886 COc1ccc2ccc(cc2c1)COC(C)C 34a_100009888446_100000210206 [0,0,0,0,0,1|3,0,0]=4 193 B18R2.17886 COc1ccc2ccc(cc2c1)COC(C)C 7a_100009888446_100000210206 [0,0,0,0,0,1|3,0,0]=4 194 B18R2.17886 COc1ccc2ccc(cc2c1)OCC(C)C 34a_100000179802_100000210624 [0,0,0,0,0,1|3,0,0]=4 195 B18R2.17886 COc1ccc2ccc(cc2c1)OCC(C)C 7a_100000179802_100000210760 [0,0,0,0,0,1|3,0,0]=4 196 B18R2.17886 COc1ccc2ccc(cc2c1)SCC(C)C 62a_100000210624_100010090027 [0,0,0,0,0,1|3,0,0]=4 197 B18R2.17886 COc1ccc2ccc(nc2c1)NCC(C)C 27a_100000210953_100009877240 [0,0,0,0,0,1|3,0,0]=4 198 B18R2.17886 COc1ccc2ccc(nc2c1)SCC(C)C 62a_100000210624_100009877240 [0,0,0,0,0,1|3,0,0]=4 199 B18R2.17886 COc1ccc2ncc(cc2c1)SCC(C)C 62a_100000210624_100000700671 [0,0,0,0,0,1|2,0,1]=4 200 B18R2.17886 COc1ccc2ncc(nc2c1)NCC(C)C 27a_100000210953_100009882714 [0,0,0,0,0,1|2,0,1]=4 201 B18R2.17886 COc1ccc2ncc(nc2c1)SCC(C)C 62a_100000210624_100009882714 [0,0,0,0,0,1|2,0,1]=4 202 B18R2.18288 COc1ccc2cccc(c2c1)NCC(C)C 34a_100000087654_100000210624 [0,0,0,0,0,1|3,0,0]=4 203 B18R2.18288 COc1ccc2cccc(c2c1)OCC(C)C 34a_100000040783_100000210624 [0,0,0,0,0,1|3,0,0]=4 204 B18R2.18288 COc1ccc2cccc(c2c1)OCC(C)C 7a_100000040783_100000210760 [0,0,0,0,0,1|3,0,0]=4 205 B18R2.18288 COc1ccc2cccc(c2c1)SCC(C)C 62a_100000210624_100010178974 [0,0,0,0,0,1|3,0,0]=4 206 B18R2.18288 COc1ccc2ccnc(c2c1)NCC(C)C 27a_100000210953_100012348807 [0,0,0,0,0,1|3,0,0]=4 207 B18R2.18288 COc1ccc2ccnc(c2c1)SCC(C)C 62a_100000210624_100012348807 [0,0,0,0,0,1|3,0,0]=4 208 B18R2.18288 COc1ccc2nccc(c2c1)CNC(C)C 207a_100138425928_100000068177 [0,0,0,0,0,1|2,0,1]=4 209 B18R2.18288 COc1ccc2nccc(c2c1)NCC(C)C 27a_100000210953_100011310462 [0,0,0,0,0,1|2,0,1]=4 210 B18R2.18288 COc1ccc2nccc(c2c1)OCC(C)C 34a_100000005308_100000210624 [0,0,0,0,0,1|2,0,1]=4 211 B18R2.18288 COc1ccc2nccc(c2c1)SCC(C)C 62a_100000210624_100011310462 [0,0,0,0,0,1|2,0,1]=4 212 B18R2.18288 COc1ccc2ncnc(c2c1)NCC(C)C 27a_100000210953_100011804145 [0,0,0,0,0,1|2,0,1]=4 213 B18R2.18288 COc1ccc2ncnc(c2c1)SCC(C)C 62a_100000210624_100011804145 [0,0,0,0,0,1|2,0,1]=4 214 B18R2.120971 C=C(C)CCSc1c[nH]c2c1cc(cn2)OC 62a_100000730704_100010199036 [0,0,0,0,0,1|2,0,1]=4 215 B18R2.120971 C=C(C)CCSc1c[nH]c2c1cc(nc2)OC 62a_100000730704_200010163580 [0,0,0,0,0,1|2,0,1]=4 216 B18R2.120971 C=C(C)CCSc1c[nH]c2c1nc(cc2)OC 62a_100000730704_100010199035 [0,0,0,0,0,1|2,0,1]=4 217 B18R2.120971 C=C(C)CCSc1n[nH]c2c1cc(cc2)OC 62a_100000730704_100012353730 [0,0,0,0,0,1|2,0,1]=4 218 B18R2.120971 CC(=O)NCCc1c[nH]c2c1cc(cc2)O[13CH3] 34a_100000038029_200025704644 [0,0,0,0,0,1|2,0,0]=3 219 B18R2.120971 CC(=O)NCCc1c[nH]c2c1cc(cc2)O[13CH3] 7a_100000038029_200025704644 [0,0,0,0,0,1|2,0,0]=3 220 B18R2.120971 COc1cc2c(c[nH]c2cn1)C=CCC(C)C 271570a_100016259101_200010163580 [0,0,0,0,0,1|2,0,1]=4 221 B18R2.120971 COc1cc2c(c[nH]c2cn1)SCC=C(C)C 62a_100000761012_200010163580 [0,0,0,0,0,1|2,0,1]=4 222 B18R2.120971 COc1cc2c(c[nH]c2cn1)SCCC(=O)C 62a_100000053229_200010163580 [0,0,0,0,0,1|3,0,0]=4 223 B18R2.120971 COc1cc2c(c[nH]c2cn1)SCCC(C)C 62a_100000210312_200010163580 [0,0,0,0,0,1|2,0,0]=3 224 B18R2.120971 COc1cc2c(c[nH]c2cn1)SCCC(C)O 62a_100012276601_200010163580 [0,0,0,0,0,1|3,0,0]=4 225 B18R2.120971 COc1cc2c(c[nH]c2cn1)SCOC(C)C 62a_100000709892_200010163580 [0,0,0,0,0,1|3,0,0]=4 226 B18R2.120971 COc1ccc2[nH]cc(c2c1)C=NNC(C)C 4a_100000741168_100000748866 [0,0,0,0,0,1|2,0,1]=4 227 B18R2.120971 COc1ccc2[nH]cc(c2c1)CCNC(=O)C 240690a_100000755253_100015343762 [0,0,0,0,0,1|2,0,0]=3 228 B18R2.120971 COc1ccc2[nH]cc(c2c1)CCNC(=O)C 34a_100000038029_200000210301 [0,0,0,0,0,1|2,0,0]=3 229 B18R2.120971 COc1ccc2[nH]cc(c2c1)CCNC(=O)C 527a_100000755253_100103153847 [0,0,0,0,0,1|2,0,0]=3 230 B18R2.120971 COc1ccc2[nH]cc(c2c1)CCNC(=O)C 7a_100000038029_200000210301 [0,0,0,0,0,1|2,0,0]=3 231 B18R2.120971 COc1ccc2[nH]cc(c2c1)CCNC(C)C 2230a_100000755253_100000210206 [0,0,0,0,0,1|1,0,0]=2 232 B18R2.120971 COc1ccc2[nH]cc(c2c1)CCOC(C)C 34a_200011933912_100000210206 [0,0,0,0,0,1|1,0,0]=2 233 B18R2.120971 COc1ccc2[nH]cc(c2c1)CNCC(C)C 270004a_100000084035_100000210432 [0,0,0,0,0,1|1,0,0]=2 234 B18R2.120971 COc1ccc2[nH]cc(c2c1)CNCC(C)C 270004a_100000210953_100000748866 [0,0,0,0,0,1|1,0,0]=2 235 B18R2.120971 COc1ccc2[nH]cc(c2c1)CNCC(C)O 270004a_100000210904_100000748866 [0,0,0,0,0,1|2,0,0]=3 236 B18R2.120971 COc1ccc2[nH]cc(c2c1)CNCC(F)F 270004a_100000765723_100000748866 [0,0,0,0,0,1|3,0,0]=4 237 B18R2.120971 COc1ccc2[nH]cc(c2n1)C=CCC(C)C 271570a_100016259101_100010199035 [0,0,0,0,0,1|2,0,1]=4 238 B18R2.120971 COc1ccc2[nH]cc(c2n1)SCC=C(C)C 62a_100000761012_100010199035 [0,0,0,0,0,1|2,0,1]=4 239 B18R2.120971 COc1ccc2[nH]cc(c2n1)SCCC(=O)C 62a_100000053229_100010199035 [0,0,0,0,0,1|3,0,0]=4 240 B18R2.120971 COc1ccc2[nH]cc(c2n1)SCCC(C)C 62a_100000210312_100010199035 [0,0,0,0,0,1|2,0,0]=3 241 B18R2.120971 COc1ccc2[nH]cc(c2n1)SCCC(C)O 62a_100012276601_100010199035 [0,0,0,0,0,1|3,0,0]=4 242 B18R2.120971 COc1ccc2[nH]cc(c2n1)SCOC(C)C 62a_100000709892_100010199035 [0,0,0,0,0,1|3,0,0]=4 243 B18R2.120971 COc1ccc2[nH]nc(c2c1)C=CCC(C)C 271570a_100016259101_100012353730 [0,0,0,0,0,1|2,0,1]=4 244 B18R2.120971 COc1ccc2[nH]nc(c2c1)CNCC(C)C 207a_100000210953_100000084273 [0,0,0,0,0,1|2,0,0]=3 245 B18R2.120971 COc1ccc2[nH]nc(c2c1)CNCC(C)C 270004a_100000210953_100000084273 [0,0,0,0,0,1|2,0,0]=3 246 B18R2.120971 COc1ccc2[nH]nc(c2c1)CNCC(C)O 207a_100000210904_100000084273 [0,0,0,0,0,1|3,0,0]=4 247 B18R2.120971 COc1ccc2[nH]nc(c2c1)CNCC(C)O 270004a_100000210904_100000084273 [0,0,0,0,0,1|3,0,0]=4 248 B18R2.120971 COc1ccc2[nH]nc(c2c1)SCC=C(C)C 62a_100000761012_100012353730 [0,0,0,0,0,1|2,0,1]=4 249 B18R2.120971 COc1ccc2[nH]nc(c2c1)SCCC(=O)C 62a_100000053229_100012353730 [0,0,0,0,0,1|3,0,0]=4 250 B18R2.120971 COc1ccc2[nH]nc(c2c1)SCCC(C)C 62a_100000210312_100012353730 [0,0,0,0,0,1|2,0,0]=3 251 B18R2.120971 COc1ccc2[nH]nc(c2c1)SCCC(C)O 62a_100012276601_100012353730 [0,0,0,0,0,1|3,0,0]=4 252 B18R2.120971 COc1ccc2[nH]nc(c2c1)SCOC(C)C 62a_100000709892_100012353730 [0,0,0,0,0,1|3,0,0]=4 253 B18R2.120971 COc1ccc2[nH]nc(c2n1)SCCC(C)C 62a_100000210312_200010246295 [0,0,0,0,0,1|3,0,0]=4 254 B18R2.120971 COc1ccc2c(c1)C(CC2)NCCN(C)C 269862a_100000210585_100000751120 [0,0,0,0,0,1|1,0,2]=4 255 B18R2.120971 COc1ccc2c(c1)C(CC2)OCCN(C)C 7a_200011467848_100000755713 [0,0,0,0,0,1|1,0,2]=4 256 B18R2.120971 COc1cnc2[nH]cc(c2c1)C=CCC(C)C 271570a_100016259101_100010199036 [0,0,0,0,0,1|2,0,1]=4 257 B18R2.120971 COc1cnc2[nH]cc(c2c1)SCC=C(C)C 62a_100000761012_100010199036 [0,0,0,0,0,1|2,0,1]=4 258 B18R2.120971 COc1cnc2[nH]cc(c2c1)SCCC(=O)C 62a_100000053229_100010199036 [0,0,0,0,0,1|3,0,0]=4 259 B18R2.120971 COc1cnc2[nH]cc(c2c1)SCCC(C)C 62a_100000210312_100010199036 [0,0,0,0,0,1|2,0,0]=3 260 B18R2.120971 COc1cnc2[nH]cc(c2c1)SCCC(C)O 62a_100012276601_100010199036 [0,0,0,0,0,1|3,0,0]=4 261 B18R2.120971 COc1cnc2[nH]cc(c2c1)SCOC(C)C 62a_100000709892_100010199036 [0,0,0,0,0,1|3,0,0]=4 262 B15R1.1178 CCCCC=NNc1ccc(cc1)OC 4a_100000005221_100000210104 [1,0,1,0,0,0|2,0,0]=4 263 B15R1.1178 COc1ccc(cc1)NN=CCCSC 4a_100000005221_100000210997 [1,0,1,0,0,0|2,0,0]=4 264 B15R1.65 COc1cccc(c1)C(=O)CCC(C)C 1458a_100000188888_100000210312 [1,0,1,0,0,0|2,0,0]=4 265 B15R1.65 COc1cccc(c1)N(C)CCN(C)C 269982a_100000219725_100000755713 [1,0,1,0,0,0|1,0,1]=4 266 B15R1.1925 CCc1ccc(c(c1)OCCN(C)C)N 7a_100000124328_100000755713 [1,0,1,0,0,0|2,0,0]=4 267 B15R1.1925 CCc1ccc(c(c1)SCCN(C)C)N 62a_100012339725_100000755713 [1,0,1,0,0,0|2,0,0]=4 268 B15R1.1925 COc1ccc(c(c1)C=CCC(C)C)N 271570a_100016259101_100015195136 [1,0,1,0,0,0|1,0,1]=4 269 B15R1.1925 COc1ccc(c(c1)OCCC(C)C)N 34a_100016989039_100000210312 [1,0,1,0,0,0|2,0,0]=4 270 B15R1.1925 COc1ccc(c(c1)OCCC(C)C)N 7a_100016989039_100000210626 [1,0,1,0,0,0|2,0,0]=4 271 B15R1.1925 COc1ccc(c(c1)OCCN(C)C)Br 7a_100000719091_100000755713 [1,0,1,0,0,0|2,0,0]=4 272 B15R1.1925 COc1ccc(c(c1)OCCN(C)C)C 7a_100012179981_100000755713 [1,0,1,0,0,0|1,0,1]=4 273 B15R1.1925 COc1ccc(c(c1)OCCN(C)C)Cl 7a_100011516019_100000755713 [1,0,1,0,0,0|2,0,0]=4 274 B15R1.1925 COc1ccc(c(c1)OCCN(C)C)F 7a_100012178750_100000755713 [1,0,1,0,0,0|2,0,0]=4 275 B15R1.1925 COc1ccc(c(c1)OCCN(C)C)I 7a_100010168831_100000755713 [1,0,1,0,0,0|2,0,0]=4 276 B15R1.1925 COc1ccc(c(c1)OCCN(C)C)N 7a_100016989039_100000755713 [1,0,1,0,0,0|1,0,0]=3 277 B15R1.1925 COc1ccc(c(c1)SCCC(C)C)N 62a_100000210312_100015195136 [1,0,1,0,0,0|2,0,0]=4 278 B15R1.1925 COc1ccc(c(c1)SCCC(C)C)N 62a_100015195136_100000210312 [1,0,1,0,0,0|2,0,0]=4 279 B15R1.1925 COc1ccc(c(c1)SCCN(C)C)Br 62a_100009992028_100000755713 [1,0,1,0,0,0|2,0,0]=4 280 B15R1.1925 COc1ccc(c(c1)SCCN(C)C)C 62a_100012349166_100000755713 [1,0,1,0,0,0|1,0,1]=4 281 B15R1.1925 COc1ccc(c(c1)SCCN(C)C)Cl 62a_100011356938_100000755713 [1,0,1,0,0,0|2,0,0]=4 282 B15R1.1925 COc1ccc(c(c1)SCCN(C)C)F 62a_100000699733_100000755713 [1,0,1,0,0,0|2,0,0]=4 283 B15R1.1925 COc1ccc(c(c1)SCCN(C)C)N 62a_100015195136_100000755713 [1,0,1,0,0,0|1,0,0]=3 284 B15R1.1925 COc1ccc(c(n1)SCCN(C)C)N 62a_100000069805_100000755713 [1,0,1,0,0,0|2,0,0]=4 285 B15R1.12845 CNc1ccc(cc1SCCN(C)C)C 62a_100000221369_100000755713 [1,0,1,0,0,0|1,0,1]=4 286 B15R1.12845 Cc1ccc(c(c1)SCCN(C)C)NN 62a_100016996181_100000755713 [1,0,1,0,0,0|2,0,0]=4 287 B15R2.6 CC(=O)CCc1c[nH]c2c1cccc2 1458a_100000070787_100011218569 [2,0,0,0,0,0|2,0,0]=4 288 B15R2.6 CC(=O)CCc1c[nH]c2c1cccc2 1458a_100000211458_200000210301 [2,0,0,0,0,0|2,0,0]=4 289 B15R2.6 CN(C)CCc1c[nH]c2c1cccc2 2230a_100102631434_100011218569 [2,0,0,0,0,0|0,0,0]=2 290 B15R2.6 CN(C)CCc1c[nH]c2c1cccc2 269982a_100102631434_100011218569 [2,0,0,0,0,0|0,0,0]=2 291 B15R2.6 CN(C)CCc1c[nH]c2c1cccn2 2230a_100102631434_100009895007 [2,0,0,0,0,0|1,0,0]=3 292 B15R2.6 CN(C)CCc1c[nH]c2c1cccn2 269982a_100102631434_100009895007 [2,0,0,0,0,0|1,0,0]=3 293 B15R2.6 CN(C)CCn1ccc2c1cccc2 2230a_100015183269_200000210301 [2,0,0,0,0,0|2,0,0]=4 294 B15R2.6 CN(C)CCn1ccc2c1cccc2 269982a_100015183269_200000210301 [2,0,0,0,0,0|2,0,0]=4 295 B15R2.6 CN([13CH3])CCn1ccc2c1cccc2 2230a_100015183269_200025704644 [2,0,0,0,0,0|2,0,0]=4 296 B15R2.6 CN([13CH3])CCn1ccc2c1cccc2 269982a_100015183269_200025704644 [2,0,0,0,0,0|2,0,0]=4 297 B15R2.6 [13CH3]C(=O)CCc1c[nH]c2c1cccc2 1458a_100000211458_200025704644 [2,0,0,0,0,0|2,0,0]=4 298 B15R2.17719 CCCCc1c[nH]c2c1cc(cn2)C 271570a_100020621405_100010246215 [2,0,0,0,0,0|2,0,0]=4 299 B15R2.17719 CCCCc1n[nH]c2c1cc(cc2)C 271570a_100020621405_100000123028 [2,0,0,0,0,0|2,0,0]=4 300 B15R2.17719 CNCCc1c[nH]c2c1cc(cc2)Br 2230a_100016990496_200000210301 [2,0,0,0,0,0|1,0,0]=3 301 B15R2.17719 CNCCc1c[nH]c2c1cc(cc2)C 2230a_100000008874_200000210301 [2,0,0,0,0,0|0,0,0]=2 302 B15R2.17719 CNCCc1c[nH]c2c1cc(cc2)Cl 2230a_100000763428_200000210301 [2,0,0,0,0,0|1,0,0]=3 303 B15R2.17719 CNCCc1c[nH]c2c1cc(cc2)F 2230a_100000725365_200000210301 [2,0,0,0,0,0|1,0,0]=3 304 B15R2.17719 CNCCc1csc2c1cc(cc2)Br 2230a_100016989105_200000210301 [2,0,0,0,0,0|2,0,0]=4 305 B15R2.17719 CNCCc1csc2c1cc(cc2)Br 34a_100016989105_200000210301 [2,0,0,0,0,0|2,0,0]=4 306 B15R2.17719 COCCc1c[nH]c2c1cc(cc2)F 34a_100012000159_200000210301 [2,0,0,0,0,0|2,0,0]=4 307 B15R2.17719 Cc1ccc2[nH]cc(c2c1)CCN[13CH3] 2230a_100000008874_200025704644 [2,0,0,0,0,0|0,0,0]=2 308 B15R2.17719 OCCCc1c[nH]c2c1cc(cc2)O 271570a_203496583355_100102583652 [2,0,0,0,0,0|2,0,0]=4 309 B15R2.17719 [13CH3]NCCc1c[nH]c2c1cc(cc2)Br 2230a_100016990496_200025704644 [2,0,0,0,0,0|1,0,0]=3 310 B15R2.17719 [13CH3]NCCc1c[nH]c2c1cc(cc2)Cl 2230a_100000763428_200025704644 [2,0,0,0,0,0|1,0,0]=3 311 B15R2.17719 [13CH3]NCCc1c[nH]c2c1cc(cc2)F 2230a_100000725365_200025704644 [2,0,0,0,0,0|1,0,0]=3 312 B15R2.17719 [13CH3]NCCc1csc2c1cc(cc2)Br 2230a_100016989105_200025704644 [2,0,0,0,0,0|2,0,0]=4 313 B15R2.17719 [13CH3]NCCc1csc2c1cc(cc2)Br 34a_100016989105_200025704644 [2,0,0,0,0,0|2,0,0]=4 314 B15R2.17719 [13CH3]OCCc1c[nH]c2c1cc(cc2)F 34a_100012000159_200025704644 [2,0,0,0,0,0|2,0,0]=4 315 B15R2.54412 C=Cc1ccc2[nH]cc(c2c1)CCN 271570a_100011290941_100016990496 [2,0,0,0,0,0|1,0,1]=4 316 B15R2.54412 CCSc1c[nH]c2c1cc(cn2)OC 62a_100000210202_100010199036 [2,0,0,0,0,0|2,0,0]=4 317 B15R2.54412 CCSc1c[nH]c2c1cc(nc2)OC 62a_100000210202_200010163580 [2,0,0,0,0,0|2,0,0]=4 318 B15R2.54412 CCSc1c[nH]c2c1nc(cc2)OC 62a_100000210202_100010199035 [2,0,0,0,0,0|2,0,0]=4 319 B15R2.54412 CCSc1n[nH]c2c1cc(cc2)OC 62a_100000210202_100012353730 [2,0,0,0,0,0|2,0,0]=4 320 B15R2.54412 CNCc1c[nH]c2c1cc(cc2)OC 270004a_106832991635_100000748866 [2,0,0,0,0,0|0,0,0]=2 321 B15R2.54412 CNCc1n[nH]c2c1cc(cc2)OC 207a_100102657272_100000084273 [2,0,0,0,0,0|1,0,0]=3 322 B15R2.54412 CNCc1n[nH]c2c1cc(cc2)OC 270004a_106832991635_100000084273 [2,0,0,0,0,0|1,0,0]=3 323 B15R2.54412 COc1ccc2[nH]cc(c2c1)CCO 34a_100000074132_200000210301 [2,0,0,0,0,0|1,0,0]=3 324 B15R2.54412 CSc1ccc2[nH]cc(c2c1)CCN 62a_200000210301_100016990496 [2,0,0,0,0,0|0,1,0]=3 325 B15R2.54412 CSc1ccc2[nH]cc(c2c1)CCO 62a_200000210301_100011933977 [2,0,0,0,0,0|1,1,0]=4 326 B15R2.54412 CSc1ccc2scc(c2c1)CCN 62a_100016989105_200000210301 [2,0,0,0,0,0|1,1,0]=4 327 B15R2.54412 CSc1ccc2scc(c2c1)CCN 62a_200000210301_100016989105 [2,0,0,0,0,0|1,1,0]=4 328 B15R2.54412 [13CH3]Oc1ccc2[nH]cc(c2c1)CCO 34a_100000074132_200025704644 [2,0,0,0,0,0|1,0,0]=3 329 B15R2.54412 [13CH3]Sc1ccc2[nH]cc(c2c1)CCN 62a_200025704644_100016990496 [2,0,0,0,0,0|0,1,0]=3 330 B15R2.54412 [13CH3]Sc1ccc2[nH]cc(c2c1)CCO 62a_200025704644_100011933977 [2,0,0,0,0,0|1,1,0]=4 331 B15R2.54412 [13CH3]Sc1ccc2scc(c2c1)CCN 62a_100016989105_200025704644 [2,0,0,0,0,0|1,1,0]=4 332 B15R2.54412 [13CH3]Sc1ccc2scc(c2c1)CCN 62a_200025704644_100016989105 [2,0,0,0,0,0|1,1,0]=4 333 B17R1.192 CCc1ccc(cc1)NNC(=O)CCN(C)C 22a_100015204395_100000689311 [0,1,1,0,0,0|2,0,0]=4 334 B17R1.192 COc1ccc(cc1)C=CC(=O)CCC(C)C 1458a_100000184205_100000210312 [0,1,1,0,0,0|2,0,0]=4 335 B17R1.192 COc1ccc(cc1)CNC(=O)CCN(C)C 11a_100000185587_100000689311 [0,1,1,0,0,0|2,0,0]=4 336 B17R1.192 COc1ccc(cc1)CNC(=O)CCN(C)C 2230a_100102631434_200011208818 [0,1,1,0,0,0|2,0,0]=4 337 B17R1.192 COc1ccc(cc1)CNC(=O)CCN(C)C 240690a_100000185587_100000689311 [0,1,1,0,0,0|2,0,0]=4 338 B17R1.192 COc1ccc(cc1)CNC(=O)CCN(C)C 269982a_100102631434_200011208818 [0,1,1,0,0,0|2,0,0]=4 339 B17R1.192 COc1ccc(cc1)CNC(=O)CCN(C)C 527a_100000185587_100000689311 [0,1,1,0,0,0|2,0,0]=4 340 B17R1.192 COc1ccc(cc1)NN=C(C)CCC(C)C 4a_100000005221_100000210476 [0,1,1,0,0,0|2,0,0]=4 341 B17R1.192 COc1ccc(cc1)NNC(=O)CCC(C)C 22a_100000005221_100000181311 [0,1,1,0,0,0|2,0,0]=4 342 B17R1.192 COc1ccc(cc1)NNC(=O)CCN(C)C 22a_100000005221_100000689311 [0,1,1,0,0,0|1,0,0]=3 343 B17R1.192 COc1ccc(cc1)NNC(=O)CC[S+](C)C 22a_100000005221_100009452791 [0,1,1,0,0,0|2,0,0]=4 344 B17R1.192 COc1ccc(cn1)NNC(=O)CCN(C)C 22a_100102564821_100000689311 [0,1,1,0,0,0|2,0,0]=4 345 B17R1.192 CSc1ccc(cc1)NNC(=O)CCN(C)C 22a_100000006515_100000689311 [0,1,1,0,0,0|1,1,0]=4 346 B17R1.196 CCc1ccc(cc1)NC(=O)C=CCN(C)C 22a_100000211069_100000754359 [0,1,1,0,0,0|1,0,1]=4 347 B17R1.196 CCc1ccc(cc1)NC(=O)CCCN(C)C 11a_100000211069_100000740757 [0,1,1,0,0,0|1,0,1]=4 348 B17R1.196 CCc1ccc(cc1)NC(=O)CCCN(C)C 22a_100000211069_100000740757 [0,1,1,0,0,0|1,0,1]=4 349 B17R1.196 CCc1ccc(cc1)NC(=O)NCCN(C)C 2430a_100000211069_100000210585 [0,1,1,0,0,0|2,0,0]=4 350 B17R1.196 COc1ccc(cc1)CC(=O)CCCN(C)C 1458a_100000210706_100000695564 [0,1,1,0,0,0|1,0,1]=4 351 B17R1.196 COc1ccc(cc1)CC(=O)NCCN(C)C 240690a_100000210585_100000210706 [0,1,1,0,0,0|2,0,0]=4 352 B17R1.196 COc1ccc(cc1)CC(=O)NCCN(C)C 527a_100000210585_100000210706 [0,1,1,0,0,0|2,0,0]=4 353 B17R1.196 COc1ccc(cc1)NC(=O)C=CCN(C)C 22a_100000184247_100000754359 [0,1,1,0,0,0|0,0,1]=3 354 B17R1.196 COc1ccc(cc1)NC(=O)CCCC(C)C 11a_100000184247_100011216857 [0,1,1,0,0,0|1,0,1]=4 355 B17R1.196 COc1ccc(cc1)NC(=O)CCCC(C)C 1626a_100000184247_100011216857 [0,1,1,0,0,0|1,0,1]=4 356 B17R1.196 COc1ccc(cc1)NC(=O)CCCC(C)C 22a_100000184247_100011216857 [0,1,1,0,0,0|1,0,1]=4 357 B17R1.196 COc1ccc(cc1)NC(=O)CCCC(C)C 527a_100000184247_100011216857 [0,1,1,0,0,0|1,0,1]=4 358 B17R1.196 COc1ccc(cc1)NC(=O)CCCN(C)C 11a_100000184247_100000740757 [0,1,1,0,0,0|0,0,1]=3 359 B17R1.196 COc1ccc(cc1)NC(=O)CCCN(C)C 2230a_100102631434_200011194844 [0,1,1,0,0,0|0,0,1]=3 360 B17R1.196 COc1ccc(cc1)NC(=O)CCCN(C)C 22a_100000184247_100000740757 [0,1,1,0,0,0|0,0,1]=3 361 B17R1.196 COc1ccc(cc1)NC(=O)CCCN(C)C 269982a_100102631434_200011194844 [0,1,1,0,0,0|0,0,1]=3 362 B17R1.196 COc1ccc(cc1)NC(=O)NCCC(C)C 2430a_100000184247_100000210545 [0,1,1,0,0,0|2,0,0]=4 363 B17R1.196 COc1ccc(cc1)NC(=O)NCCN(C)C 2230a_100102631434_100000163356 [0,1,1,0,0,0|1,0,0]=3 364 B17R1.196 COc1ccc(cc1)NC(=O)NCCN(C)C 2430a_100000184247_100000210585 [0,1,1,0,0,0|1,0,0]=3 365 B17R1.196 COc1ccc(cc1)NC(=O)NCCN(C)C 269982a_100102631434_100000163356 [0,1,1,0,0,0|1,0,0]=3 366 B17R1.196 CSc1ccc(cc1)NC(=O)C=CCN(C)C 22a_100000212337_100000754359 [0,1,1,0,0,0|0,1,1]=4 367 B17R1.196 CSc1ccc(cc1)NC(=O)CCCN(C)C 11a_100000212337_100000740757 [0,1,1,0,0,0|0,1,1]=4 368 B17R1.196 CSc1ccc(cc1)NC(=O)CCCN(C)C 22a_100000212337_100000740757 [0,1,1,0,0,0|0,1,1]=4 369 B17R1.196 CSc1ccc(cc1)NC(=O)NCCN(C)C 2430a_100000212337_100000210585 [0,1,1,0,0,0|1,1,0]=4 370 B17R1.239 COc1ccc(cc1)N(C)CCCCN(C)C 269982a_100000220023_100000690147 [0,1,1,0,0,0|0,0,2]=4 371 B17R2.25460 CN(C)CC(=O)c1c[nH]c2c1cc(cc2)Br 269982a_100102631434_100011264338 [1,1,0,0,0,0|1,0,1]=4 372 B17R2.25460 CN(C)CC(=O)c1c[nH]c2c1cc(cc2)Cl 269982a_100102631434_200011936983 [1,1,0,0,0,0|1,0,1]=4 373 B17R2.25460 Cc1ccc2[nH]nc(c2c1)[C@@H](N)CC(C)C 271570a_100015190218_100000123028 [1,1,0,0,0,0|2,0,0]=4 374 B17R2.25460 Cc1cnc2[nH]cc(c2c1)[C@@H](N)CC(C)C 271570a_100015190218_100010246215 [1,1,0,0,0,0|2,0,0]=4 375 B17R2.25461 CC(C)C(=O)Cc1c[nH]c2c1cc(cc2)O 1458a_100000031536_100000210206 [1,1,0,0,0,0|1,0,1]=4 376 B17R2.25461 CN(C)C(=O)Cc1c[nH]c2c1cc(cc2)Br 11a_100102631434_100000742623 [1,1,0,0,0,0|1,0,1]=4 377 B17R2.25461 CN(C)C(=O)Cc1c[nH]c2c1cc(cc2)Br 240690a_100102631434_100000742623 [1,1,0,0,0,0|1,0,1]=4 378 B17R2.25461 CN(C)C(=O)Cc1c[nH]c2c1cc(cc2)Br 527a_100102631434_100000742623 [1,1,0,0,0,0|1,0,1]=4 379 B17R2.25461 CN(C)C(=O)Cc1c[nH]c2c1cc(cc2)Cl 11a_100102631434_100000758855 [1,1,0,0,0,0|1,0,1]=4 380 B17R2.25461 CN(C)C(=O)Cc1c[nH]c2c1cc(cc2)Cl 1626a_100102631434_100000758855 [1,1,0,0,0,0|1,0,1]=4 381 B17R2.25461 CN(C)C(=O)Cc1c[nH]c2c1cc(cc2)Cl 240690a_100102631434_100000758855 [1,1,0,0,0,0|1,0,1]=4 382 B17R2.25461 CN(C)C(=O)Cc1c[nH]c2c1cc(cc2)Cl 527a_100102631434_100000758855 [1,1,0,0,0,0|1,0,1]=4 383 B17R2.25461 CN(C)C(=O)Cc1c[nH]c2c1cc(cc2)F 11a_100102631434_100102525430 [1,1,0,0,0,0|1,0,1]=4 384 B17R2.25461 CN(C)C(=O)Cc1c[nH]c2c1cc(cc2)F 1626a_100102631434_100102525430 [1,1,0,0,0,0|1,0,1]=4 385 B17R2.25461 CN(C)C(=O)Cc1c[nH]c2c1cc(cc2)F 240690a_100102631434_100102525430 [1,1,0,0,0,0|1,0,1]=4 386 B17R2.25461 CN(C)C(=O)Cc1c[nH]c2c1cc(cc2)F 527a_100102631434_100102525430 [1,1,0,0,0,0|1,0,1]=4 387 B17R2.25461 CN(C)C(=O)Cc1c[nH]c2c1cc(cc2)O 11a_100102631434_100000031536 [1,1,0,0,0,0|0,0,1]=3 388 B17R2.25461 CN(C)C(=O)Cc1c[nH]c2c1cc(cc2)O 240690a_100102631434_100000031536 [1,1,0,0,0,0|0,0,1]=3 389 B17R2.25461 CN(C)C(=O)Cc1c[nH]c2c1cc(cc2)O 527a_100102631434_100000031536 [1,1,0,0,0,0|0,0,1]=3 390 B17R2.25461 Cc1ccc2[nH]cc(c2c1)CC(=O)C(C)C 1458a_100102525273_100000210206 [1,1,0,0,0,0|1,0,1]=4 391 B17R2.25461 Cc1ccc2[nH]cc(c2c1)CC(=O)N(C)C 240690a_100102631434_100102525273 [1,1,0,0,0,0|0,0,1]=3 392 B17R2.25461 Cc1ccc2[nH]cc(c2c1)CC(=O)N(C)C 527a_100102631434_100102525273 [1,1,0,0,0,0|0,0,1]=3 393 B17R2.25461 Cc1ccc2occ(c2c1)CC(=O)N(C)C 11a_100102631434_100000188615 [1,1,0,0,0,0|1,0,1]=4 394 B17R2.25461 Cc1ccc2occ(c2c1)CC(=O)N(C)C 1626a_100102631434_100000188615 [1,1,0,0,0,0|1,0,1]=4 395 B17R2.25461 Cc1ccc2occ(c2c1)CC(=O)N(C)C 240690a_100102631434_100000188615 [1,1,0,0,0,0|1,0,1]=4 396 B17R2.25461 Cc1ccc2occ(c2c1)CC(=O)N(C)C 527a_100102631434_100000188615 [1,1,0,0,0,0|1,0,1]=4 397 B17R2.25461 Cc1ccc2scc(c2c1)CC(=O)N(C)C 11a_100102631434_100000242747 [1,1,0,0,0,0|1,0,1]=4 398 B17R2.25461 Cc1ccc2scc(c2c1)CC(=O)N(C)C 1626a_100102631434_100000242747 [1,1,0,0,0,0|1,0,1]=4 399 B17R2.25461 Cc1ccc2scc(c2c1)CC(=O)N(C)C 240690a_100102631434_100000242747 [1,1,0,0,0,0|1,0,1]=4 400 B17R2.25461 Cc1ccc2scc(c2c1)CC(=O)N(C)C 527a_100102631434_100000242747 [1,1,0,0,0,0|1,0,1]=4 401 B17R2.376007 COC(=O)CCc1c[nH]c2c1cc(cc2)O 271570a_203496583355_100010888593 [1,1,0,0,0,0|2,0,0]=4 402 B17R2.73215 CCC(=O)Cc1c[nH]c2c1cc(cc2)OC 1458a_100000739362_100000210202 [1,1,0,0,0,0|1,0,1]=4 403 B17R2.73215 CCc1ccc2[nH]cc(c2c1)CC(=O)NC 11a_106832991635_100000049097 [1,1,0,0,0,0|1,0,1]=4 404 B17R2.73215 CCc1ccc2[nH]cc(c2c1)CC(=O)NC 240690a_100102657272_100000049097 [1,1,0,0,0,0|1,0,1]=4 405 B17R2.73215 CCc1ccc2[nH]cc(c2c1)CC(=O)NC 527a_100102657272_100000049097 [1,1,0,0,0,0|1,0,1]=4 406 B17R2.73215 CNC(=O)Cc1c[nH]c2c1cc(cc2)OC 240690a_100102657272_100000739362 [1,1,0,0,0,0|0,0,1]=3 407 B17R2.73215 CNC(=O)Cc1c[nH]c2c1cc(cc2)OC 527a_100102657272_100000739362 [1,1,0,0,0,0|0,0,1]=3 408 B17R2.333142 CCNCc1c[nH]c2c1cc(cc2)OCC 270004a_100015525214_100102524904 [1,1,0,0,0,0|2,0,0]=4 409 B17R2.339431 CCCCc1nn(c2c1cc(cc2)OC)C 271570a_100020621405_100010988832 [1,1,0,0,0,0|2,0,0]=4 410 B17R2.339431 CCOCc1cn(c2c1cc(cc2)OC)C 34a_100000077082_100000210202 [1,1,0,0,0,0|2,0,0]=4 411 B17R2.1231010 C=CCNCc1c[nH]c2c1cc(cc2)OC 270004a_100020586998_100000748866 [1,1,0,0,0,0|1,0,1]=4 412 B17R2.1231010 CCCCSc1c[nH]c2c1cc(cn2)OC 62a_100000210211_100010199036 [1,1,0,0,0,0|2,0,0]=4 413 B17R2.1231010 CCCCSc1c[nH]c2c1cc(nc2)OC 62a_100000210211_200010163580 [1,1,0,0,0,0|2,0,0]=4 414 B17R2.1231010 CCCCSc1c[nH]c2c1nc(cc2)OC 62a_100000210211_100010199035 [1,1,0,0,0,0|2,0,0]=4 415 B17R2.1231010 CCCCSc1n[nH]c2c1cc(cc2)OC 62a_100000210211_100012353730 [1,1,0,0,0,0|2,0,0]=4 416 B17R2.1231010 CCCNCc1c[nH]c2c1cc(cc2)OC 270004a_100020643023_100000748866 [1,1,0,0,0,0|1,0,0]=3 417 B17R2.1231010 CCCNCc1n[nH]c2c1cc(cc2)OC 207a_100020643023_100000084273 [1,1,0,0,0,0|2,0,0]=4 418 B17R2.1231010 CCCNCc1n[nH]c2c1cc(cc2)OC 270004a_100020643023_100000084273 [1,1,0,0,0,0|2,0,0]=4 419 B17R2.1231010 CCNCCc1c[nH]c2c1cc(cc2)OC 2230a_100000755253_100000210202 [1,1,0,0,0,0|0,0,0]=2 420 B17R2.1231010 CCNN=Cc1c[nH]c2c1cc(cc2)OC 4a_100000756455_100000748866 [1,1,0,0,0,0|1,0,1]=4 421 B17R2.1231010 CCOCCc1c[nH]c2c1cc(cc2)OC 34a_200011933912_100000210202 [1,1,0,0,0,0|1,0,0]=3 422 B17R2.1231010 COCCSc1c[nH]c2c1cc(cn2)OC 62a_100000233755_100010199036 [1,1,0,0,0,0|2,0,0]=4 423 B17R2.1231010 COCCSc1c[nH]c2c1cc(nc2)OC 62a_100000233755_200010163580 [1,1,0,0,0,0|2,0,0]=4 424 B17R2.1231010 COCCSc1c[nH]c2c1nc(cc2)OC 62a_100000233755_100010199035 [1,1,0,0,0,0|2,0,0]=4 425 B17R2.1231010 COCCSc1n[nH]c2c1cc(cc2)OC 62a_100000233755_100012353730 [1,1,0,0,0,0|2,0,0]=4 426 B17R2.1231010 COc1cc2c(c[nH]c2cn1)SCCSC 62a_100000212216_200010163580 [1,1,0,0,0,0|2,0,0]=4 427 B17R2.1231010 COc1ccc2[nH]cc(c2c1)CCOCF 34a_200011933912_100015361967 [1,1,0,0,0,0|1,0,0]=3 428 B17R2.1231010 COc1ccc2[nH]cc(c2c1)CNCCO 270004a_100000210304_100000748866 [1,1,0,0,0,0|2,0,0]=4 429 B17R2.1231010 COc1ccc2[nH]cc(c2n1)SCCSC 62a_100000212216_100010199035 [1,1,0,0,0,0|2,0,0]=4 430 B17R2.1231010 COc1ccc2[nH]nc(c2c1)SCCSC 62a_100000212216_100012353730 [1,1,0,0,0,0|2,0,0]=4 431 B17R2.1231010 COc1cnc2[nH]cc(c2c1)SCCSC 62a_100000212216_100010199036 [1,1,0,0,0,0|2,0,0]=4 432 B17R2.11798 COc1ccc2[nH]c(c(c2c1)CC(=O)C)C 1458a_100000032111_200000210301 [0,1,0,0,1,0|2,0,0]=4 433 B17R2.11798 COc1ccc2[nH]c(c(c2c1)CC(=O)[13CH3])C 1458a_100000032111_200025704644 [0,1,0,0,1,0|2,0,0]=4 434 B17R2.27792 C=C=Cc1ccc2[nH]cc(c2c1)CN(C)C 271570a_100015277604_100000728258 [0,1,0,0,1,0|1,0,1]=4 435 B17R2.27792 CC=Cc1ccc2[nH]cc(c2c1)CN(C)C 271570a_100016259895_100000728258 [0,1,0,0,1,0|1,0,0]=3 436 B17R2.27792 CC=Cc1cnc2[nH]cc(c2c1)CN(C)C 271570a_100016259895_200010174824 [0,1,0,0,1,0|2,0,0]=4 437 B17R2.27792 CCOc1ccc2[nH]cc(c2c1)CN(C)C 270004a_100102631434_100102524904 [0,1,0,0,1,0|0,0,0]=2 438 B17R2.27792 CCSc1ccc2[nH]cc(c2c1)CN(C)C 62a_100000210202_100000728258 [0,1,0,0,1,0|0,1,0]=3 439 B17R2.27792 CCSc1cnc2[nH]cc(c2c1)CN(C)C 62a_100000210202_200010174824 [0,1,0,0,1,0|1,1,0]=4 440 B17R2.27792 CN(C)Cc1c[nH]c2c1cc(cc2)SCF 62a_100015361967_100000728258 [0,1,0,0,1,0|0,1,0]=3 441 B17R2.27792 CN(C)Cc1c[nH]c2c1cc(cn2)SCF 62a_100015361967_200010174824 [0,1,0,0,1,0|1,1,0]=4 442 B17R2.1146278 C=C(C)c1ccc2[nH]cc(c2c1)CN(C)C 271570a_100000694244_100000728258 [0,1,0,0,1,0|1,0,0]=3 443 B17R2.1146278 C=C(C)c1cnc2[nH]cc(c2c1)CN(C)C 271570a_100000694244_200010174824 [0,1,0,0,1,0|2,0,0]=4 444 B19R2.26600 COc1ccc2ccc(cc2c1)[C@@H](N)CC(C)C 271570a_100015190218_100010090027 [0,1,0,0,0,1|2,0,0]=4 445 B19R2.26600 COc1ccc2ccc(nc2c1)[C@@H](N)CC(C)C 271570a_100015190218_100009877240 [0,1,0,0,0,1|2,0,0]=4 446 B19R2.26600 COc1ccc2ncc(cc2c1)[C@@H](N)CC(C)C 271570a_100015190218_100000700671 [0,1,0,0,0,1|1,0,1]=4 447 B19R2.26600 COc1ccc2ncc(nc2c1)[C@@H](N)CC(C)C 271570a_100015190218_100009882714 [0,1,0,0,0,1|1,0,1]=4 448 B19R2.1486576 COc1ccc2[nH]c(=O)c(cc2c1)CNC(C)C 207a_100138425928_100000015449 [0,1,0,0,0,1|2,0,0]=4 449 B19R2.27141 COc1ccc2cccc(c2c1)[C@@H](N)CC(C)C 271570a_100015190218_100010178974 [0,1,0,0,0,1|2,0,0]=4 450 B19R2.27141 COc1ccc2ccnc(c2c1)[C@@H](N)CC(C)C 271570a_100015190218_100012348807 [0,1,0,0,0,1|2,0,0]=4 451 B19R2.27141 COc1ccc2nccc(c2c1)[C@@H](N)CC(C)C 271570a_100015190218_100011310462 [0,1,0,0,0,1|1,0,1]=4 452 B19R2.27141 COc1ccc2ncnc(c2c1)[C@@H](N)CC(C)C 271570a_100015190218_100011804145 [0,1,0,0,0,1|1,0,1]=4 453 B19R2.27142 COc1ccc2cccc(c2c1)CC(=O)N(C)C 11a_100102631434_100000692902 [0,1,0,0,0,1|1,0,1]=4 454 B19R2.27142 COc1ccc2cccc(c2c1)CC(=O)N(C)C 1626a_100102631434_100000692902 [0,1,0,0,0,1|1,0,1]=4 455 B19R2.27142 COc1ccc2cccc(c2c1)CC(=O)N(C)C 240690a_100102631434_100000692902 [0,1,0,0,0,1|1,0,1]=4 456 B19R2.27142 COc1ccc2cccc(c2c1)CC(=O)N(C)C 527a_100102631434_100000692902 [0,1,0,0,0,1|1,0,1]=4 457 B19R2.68648 CC(=O)NCCc1c[nH]c2c1cc(cc2)OCF 34a_100000038029_100015361967 [0,1,0,0,0,1|2,0,0]=4 458 B19R2.68648 CC(=O)NCCc1c[nH]c2c1cc(cc2)OCF 7a_100000038029_100015361967 [0,1,0,0,0,1|2,0,0]=4 459 B19R2.68648 CCOc1ccc2[nH]cc(c2c1)CCNC(=O)C 34a_100000038029_100000210202 [0,1,0,0,0,1|2,0,0]=4 460 B19R2.68648 CCOc1ccc2[nH]cc(c2c1)CCNC(=O)C 7a_100000038029_100000210202 [0,1,0,0,0,1|2,0,0]=4 461 B19R2.68648 CCOc1ccc2[nH]cc(c2c1)CNCC(C)C 270004a_100000210953_100102524904 [0,1,0,0,0,1|1,0,0]=3 462 B19R2.68648 CCOc1ccc2[nH]cc(c2c1)CNCC(C)O 270004a_100000210904_100102524904 [0,1,0,0,0,1|2,0,0]=4 463 B19R2.195242 COc1cc2c(c[nH]c2cn1)SCCC(C)(C)C 62a_100000755188_200010163580 [0,1,0,0,0,1|2,0,0]=4 464 B19R2.195242 COc1cc2c(c[nH]c2cn1)SCCC(C)(C)O 62a_100000702414_200010163580 [0,1,0,0,0,1|2,0,0]=4 465 B19R2.195242 COc1cc2c(c[nH]c2cn1)SCC[N+](C)(C)C 62a_100000085578_200010163580 [0,1,0,0,0,1|1,0,1]=4 466 B19R2.195242 COc1cc2c(c[nH]c2cn1)SCC[Si](C)(C)C 62a_200000733723_200010163580 [0,1,0,0,0,1|2,0,0]=4 467 B19R2.195242 COc1ccc2[nH]cc(c2c1)CCNS(=O)(=O)C 40a_100000755253_100000738038 [0,1,0,0,0,1|2,0,0]=4 468 B19R2.195242 COc1ccc2[nH]cc(c2c1)CCOC(C)(C)C 34a_200011933912_100000210625 [0,1,0,0,0,1|1,0,0]=3 469 B19R2.195242 COc1ccc2[nH]cc(c2c1)CNCC(C)(C)C 270004a_100000084035_100011204126 [0,1,0,0,0,1|1,0,0]=3 470 B19R2.195242 COc1ccc2[nH]cc(c2c1)CNCC(C)(C)C 270004a_100000743828_100000748866 [0,1,0,0,0,1|1,0,0]=3 471 B19R2.195242 COc1ccc2[nH]cc(c2c1)CNCC(C)(C)F 270004a_100020643315_100000748866 [0,1,0,0,0,1|1,0,0]=3 472 B19R2.195242 COc1ccc2[nH]cc(c2c1)CNCC(C)(C)O 270004a_100000751335_100000748866 [0,1,0,0,0,1|1,0,0]=3 473 B19R2.195242 COc1ccc2[nH]cc(c2c1)CNCC(C)(F)F 270004a_100000731000_100000748866 [0,1,0,0,0,1|2,0,0]=4 474 B19R2.195242 COc1ccc2[nH]cc(c2n1)SCCC(C)(C)C 62a_100000755188_100010199035 [0,1,0,0,0,1|2,0,0]=4 475 B19R2.195242 COc1ccc2[nH]cc(c2n1)SCCC(C)(C)O 62a_100000702414_100010199035 [0,1,0,0,0,1|2,0,0]=4 476 B19R2.195242 COc1ccc2[nH]cc(c2n1)SCC[N+](C)(C)C 62a_100000085578_100010199035 [0,1,0,0,0,1|1,0,1]=4 477 B19R2.195242 COc1ccc2[nH]cc(c2n1)SCC[Si](C)(C)C 62a_200000733723_100010199035 [0,1,0,0,0,1|2,0,0]=4 478 B19R2.195242 COc1ccc2[nH]nc(c2c1)CNCC(C)(C)C 207a_100000743828_100000084273 [0,1,0,0,0,1|2,0,0]=4 479 B19R2.195242 COc1ccc2[nH]nc(c2c1)CNCC(C)(C)C 270004a_100000743828_100000084273 [0,1,0,0,0,1|2,0,0]=4 480 B19R2.195242 COc1ccc2[nH]nc(c2c1)CNCC(C)(C)F 207a_100020643315_100000084273 [0,1,0,0,0,1|2,0,0]=4 481 B19R2.195242 COc1ccc2[nH]nc(c2c1)CNCC(C)(C)F 270004a_100020643315_100000084273 [0,1,0,0,0,1|2,0,0]=4 482 B19R2.195242 COc1ccc2[nH]nc(c2c1)CNCC(C)(C)O 207a_100000751335_100000084273 [0,1,0,0,0,1|2,0,0]=4 483 B19R2.195242 COc1ccc2[nH]nc(c2c1)CNCC(C)(C)O 270004a_100000751335_100000084273 [0,1,0,0,0,1|2,0,0]=4 484 B19R2.195242 COc1ccc2[nH]nc(c2c1)SCCC(C)(C)C 62a_100000755188_100012353730 [0,1,0,0,0,1|2,0,0]=4 485 B19R2.195242 COc1ccc2[nH]nc(c2c1)SCCC(C)(C)O 62a_100000702414_100012353730 [0,1,0,0,0,1|2,0,0]=4 486 B19R2.195242 COc1ccc2[nH]nc(c2c1)SCC[N+](C)(C)C 62a_100000085578_100012353730 [0,1,0,0,0,1|1,0,1]=4 487 B19R2.195242 COc1ccc2[nH]nc(c2c1)SCC[Si](C)(C)C 62a_200000733723_100012353730 [0,1,0,0,0,1|2,0,0]=4 488 B19R2.195242 COc1cnc2[nH]cc(c2c1)SCCC(C)(C)C 62a_100000755188_100010199036 [0,1,0,0,0,1|2,0,0]=4 489 B19R2.195242 COc1cnc2[nH]cc(c2c1)SCCC(C)(C)O 62a_100000702414_100010199036 [0,1,0,0,0,1|2,0,0]=4 490 B19R2.195242 COc1cnc2[nH]cc(c2c1)SCC[N+](C)(C)C 62a_100000085578_100010199036 [0,1,0,0,0,1|1,0,1]=4 491 B19R2.195242 COc1cnc2[nH]cc(c2c1)SCC[Si](C)(C)C 62a_200000733723_100010199036 [0,1,0,0,0,1|2,0,0]=4 492 B19R2.1547536 C=C(C)COCc1cn(c2c1cc(cc2)OC)C 34a_100000077082_100000748629 [0,1,0,0,0,1|1,0,1]=4 493 B19R2.1547536 COc1ccc2c(c1)c(cn2C)COCC(C)C 34a_100000077082_100000210624 [0,1,0,0,0,1|1,0,0]=3 494 B19R2.1547536 COc1ccc2c(c1)c(cn2C)COCC(C)O 34a_100000077082_100011218427 [0,1,0,0,0,1|2,0,0]=4 495 B19R2.1547536 COc1ccc2c(c1)c(cn2C)COC[C@@H](C)O 34a_100000077082_100009817552 [0,1,0,0,0,1|2,0,0]=4 496 B19R2.1547536 COc1ccc2c(c1)c(nn2C)SCCC(C)C 62a_100000210312_100010988832 [0,1,0,0,0,1|2,0,0]=4 497 B19R2.1645485 C#CC(C)OCCc1c[nH]c2c1cc(cc2)OC 34a_200011933912_200000035995 [0,1,0,0,0,1|1,0,1]=4 498 B19R2.1645485 CCC(=O)NCCc1c[nH]c2c1cc(cc2)OC 240690a_100000755253_100000210414 [0,1,0,0,0,1|2,0,0]=4 499 B19R2.1645485 CCC(=O)NCCc1c[nH]c2c1cc(cc2)OC 527a_100000755253_100000210414 [0,1,0,0,0,1|2,0,0]=4 500 B19R2.1645485 CCC(C)CNCc1c[nH]c2c1cc(cc2)OC 270004a_100000084035_100000243153 [0,1,0,0,0,1|1,0,0]=3 501 B19R2.1645485 CCC(C)CNCc1c[nH]c2c1cc(cc2)OC 270004a_100020588543_100000748866 [0,1,0,0,0,1|1,0,0]=3 502 B19R2.1645485 CCC(C)CNCc1n[nH]c2c1cc(cc2)OC 207a_100020588543_100000084273 [0,1,0,0,0,1|2,0,0]=4 503 B19R2.1645485 CCC(C)CNCc1n[nH]c2c1cc(cc2)OC 270004a_100020588543_100000084273 [0,1,0,0,0,1|2,0,0]=4 504 B19R2.1645485 CCC(C)NCCc1c[nH]c2c1cc(cc2)OC 2230a_100000755253_100000758301 [0,1,0,0,0,1|1,0,0]=3 505 B19R2.1645485 CCC(C)OCCc1c[nH]c2c1cc(cc2)OC 34a_200011933912_100011215416 [0,1,0,0,0,1|1,0,0]=3 506 B19R2.1645485 CCC(O)CNCc1c[nH]c2c1cc(cc2)OC 270004a_100011218483_100000748866 [0,1,0,0,0,1|2,0,0]=4 507 B19R2.1645485 CNC(=O)CNCc1c[nH]c2c1cc(cc2)OC 270004a_100000693194_100000748866 [0,1,0,0,0,1|2,0,0]=4 508 B19R2.1645485 CNC(=O)NCCc1c[nH]c2c1cc(cc2)OC 2708a_100000755253_106832991635 [0,1,0,0,0,1|2,0,0]=4 509 B19R2.1645485 CNC(=O)NCCc1c[nH]c2c1cc(cc2)OC 2708a_100102657272_100000755253 [0,1,0,0,0,1|2,0,0]=4 510 B19R2.1645485 CNC(=O)NCCc1c[nH]c2c1cc(cc2)OC 273464a_100102657272_100000755253 [0,1,0,0,0,1|2,0,0]=4 511 B19R2.1645485 CNC(=O)NCCc1c[nH]c2c1cc(cc2)OC 512a_100000755253_100102657272 [0,1,0,0,0,1|2,0,0]=4 512 B19R2.1645485 CNC(=O)NCCc1c[nH]c2c1cc(cc2)OC 512a_106832991638_100000755253 [0,1,0,0,0,1|2,0,0]=4 513 B19R2.1645485 COc1ccc2[nH]cc(c2c1)CCNC(=O)CO 240690a_100000755253_100000210174 [0,1,0,0,0,1|2,0,0]=4 514 B19R2.1645485 COc1ccc2[nH]cc(c2c1)CCNC(=O)CO 527a_100000755253_100000210174 [0,1,0,0,0,1|2,0,0]=4 515 B19R2.1645485 COc1ccc2[nH]cc(c2c1)CCNC(C)C#N 2230a_100000755253_100000184139 [0,1,0,0,0,1|1,0,1]=4 516 B19R2.1645485 COc1ccc2[nH]cc(c2c1)CCNC(C)CO 2230a_100000755253_100012180447 [0,1,0,0,0,1|1,0,0]=3 517 B19R2.1645485 COc1ccc2[nH]cc(c2c1)CCOC(C)CO 34a_200011933912_100012180447 [0,1,0,0,0,1|1,0,0]=3 518 B19R2.1645485 COc1ccc2[nH]cc(c2c1)CNC[C@@H](C)OC 270004a_100020591295_100000748866 [0,1,0,0,0,1|1,0,0]=3 519 B19R2.1645485 COc1ccc2[nH]cc(c2c1)CNC[C@@H](F)CO 270004a_100015665980_100000748866 [0,1,0,0,0,1|2,0,0]=4 520 B19R2.1645485 COc1ccc2[nH]nc(c2c1)CNCC(C)CO 207a_100000744482_100000084273 [0,1,0,0,0,1|2,0,0]=4 521 B19R2.1645485 COc1ccc2[nH]nc(c2c1)CNC[C@@H](C)OC 207a_100020591295_100000084273 [0,1,0,0,0,1|2,0,0]=4 522 B19R2.1645485 COc1ccc2[nH]nc(c2c1)CNC[C@@H](C)OC 270004a_100020591295_100000084273 [0,1,0,0,0,1|2,0,0]=4 523 B19R2.1645486 COc1cc2c(c[nH]c2cn1)CCC(=O)N(C)C 271570a_200010232142_200010163580 [0,1,0,0,0,1|1,0,0]=3 524 B19R2.1645486 COc1cc2c(c[nH]c2cn1)SCC(=O)N(C)C 62a_100000692301_200010163580 [0,1,0,0,0,1|1,0,1]=4 525 B19R2.1645486 COc1ccc2[nH]cc(c2c1)CCC(=O)C(C)C 1458a_100010000191_100000210206 [0,1,0,0,0,1|1,0,0]=3 526 B19R2.1645486 COc1ccc2[nH]cc(c2c1)CCC(=O)N(C)C 11a_100102631434_100010000191 [0,1,0,0,0,1|0,0,0]=2 527 B19R2.1645486 COc1ccc2[nH]cc(c2c1)CCC(=O)N(C)C 240690a_100102631434_100010000191 [0,1,0,0,0,1|0,0,0]=2 528 B19R2.1645486 COc1ccc2[nH]cc(c2c1)CCC(=O)N(C)C 527a_100102631434_100010000191 [0,1,0,0,0,1|0,0,0]=2 529 B19R2.1645486 COc1ccc2[nH]cc(c2c1)CNC(=O)C(C)C 11a_100000084035_100000210198 [0,1,0,0,0,1|1,0,1]=4 530 B19R2.1645486 COc1ccc2[nH]cc(c2c1)CNC(=O)C(C)C 240690a_100000084035_100000210198 [0,1,0,0,0,1|1,0,1]=4 531 B19R2.1645486 COc1ccc2[nH]cc(c2c1)CNC(=O)C(C)C 527a_100000084035_100000210198 [0,1,0,0,0,1|1,0,1]=4 532 B19R2.1645486 COc1ccc2[nH]cc(c2c1)CNC(=O)N(C)C 2708a_100000084035_100102631434 [0,1,0,0,0,1|0,0,1]=3 533 B19R2.1645486 COc1ccc2[nH]cc(c2c1)CNC(C)C(C)C 270004a_100000211541_100000748866 [0,1,0,0,0,1|1,0,0]=3 534 B19R2.1645486 COc1ccc2[nH]cc(c2n1)CCC(=O)N(C)C 271570a_200010232142_100010199035 [0,1,0,0,0,1|1,0,0]=3 535 B19R2.1645486 COc1ccc2[nH]cc(c2n1)SCC(=O)N(C)C 62a_100000692301_100010199035 [0,1,0,0,0,1|1,0,1]=4 536 B19R2.1645486 COc1ccc2[nH]nc(c2c1)CCC(=O)N(C)C 271570a_200010232142_100012353730 [0,1,0,0,0,1|1,0,0]=3 537 B19R2.1645486 COc1ccc2[nH]nc(c2c1)CNC(C)C(C)C 207a_100000211541_100000084273 [0,1,0,0,0,1|2,0,0]=4 538 B19R2.1645486 COc1ccc2[nH]nc(c2c1)CNC(C)C(C)C 270004a_100000211541_100000084273 [0,1,0,0,0,1|2,0,0]=4 539 B19R2.1645486 COc1ccc2[nH]nc(c2c1)SCC(=O)N(C)C 62a_100000692301_100012353730 [0,1,0,0,0,1|1,0,1]=4 540 B19R2.1645486 COc1ccc2[nH]nc(c2n1)CCC(=O)N(C)C 271570a_200010232142_200010246295 [0,1,0,0,0,1|2,0,0]=4 541 B19R2.1645486 COc1cnc2[nH]cc(c2c1)CCC(=O)N(C)C 271570a_200010232142_100010199036 [0,1,0,0,0,1|1,0,0]=3 542 B19R2.1645486 COc1cnc2[nH]cc(c2c1)SCC(=O)N(C)C 62a_100000692301_100010199036 [0,1,0,0,0,1|1,0,1]=4 543 B19R2.1645535 C=C(C)CC(=O)Cc1c[nH]c2c1cc(cc2)OC 1458a_100000739362_100000748629 [0,1,0,0,0,1|1,0,1]=4 544 B19R2.1645535 C=C(C)CN(C)Cc1c[nH]c2c1cc(cc2)OC 270004a_100000225649_100000748866 [0,1,0,0,0,1|1,0,1]=4 545 B19R2.1645535 CCc1ccc2[nH]cc(c2c1)CC(=O)CC(C)C 1458a_100000049097_100000210624 [0,1,0,0,0,1|2,0,0]=4 546 B19R2.1645535 COc1cc2c(c[nH]c2cn1)SC(C)CC(C)C 62a_100000731052_200010163580 [0,1,0,0,0,1|2,0,0]=4 547 B19R2.1645535 COc1cc2c(c[nH]c2cn1)SC(C)CN(C)C 62a_100020606517_200010163580 [0,1,0,0,0,1|1,0,0]=3 548 B19R2.1645535 COc1ccc2[nH]cc(c2c1)CC(=O)CC(C)C 1458a_100000739362_100000210624 [0,1,0,0,0,1|1,0,0]=3 549 B19R2.1645535 COc1ccc2[nH]cc(c2c1)CC(=O)CC(C)O 1458a_100000739362_100011218427 [0,1,0,0,0,1|2,0,0]=4 550 B19R2.1645535 COc1ccc2[nH]cc(c2c1)CC(=O)NC(C)C 240690a_100138425928_100000739362 [0,1,0,0,0,1|1,0,1]=4 551 B19R2.1645535 COc1ccc2[nH]cc(c2c1)CC(=O)NC(C)C 527a_100138425928_100000739362 [0,1,0,0,0,1|1,0,1]=4 552 B19R2.1645535 COc1ccc2[nH]cc(c2c1)CN(C)CC(C)C 270004a_100000747067_100000748866 [0,1,0,0,0,1|1,0,0]=3 553 B19R2.1645535 COc1ccc2[nH]cc(c2c1)CN(C)CC(C)O 270004a_100000227577_100000748866 [0,1,0,0,0,1|2,0,0]=4 554 B19R2.1645535 COc1ccc2[nH]cc(c2n1)SC(C)CC(C)C 62a_100000731052_100010199035 [0,1,0,0,0,1|2,0,0]=4 555 B19R2.1645535 COc1ccc2[nH]cc(c2n1)SC(C)CN(C)C 62a_100020606517_100010199035 [0,1,0,0,0,1|1,0,0]=3 556 B19R2.1645535 COc1ccc2[nH]nc(c2c1)CN(C)CC(C)C 270004a_100000747067_100000084273 [0,1,0,0,0,1|2,0,0]=4 557 B19R2.1645535 COc1ccc2[nH]nc(c2c1)SC(C)CC(C)C 62a_100000731052_100012353730 [0,1,0,0,0,1|2,0,0]=4 558 B19R2.1645535 COc1ccc2[nH]nc(c2c1)SC(C)CN(C)C 62a_100020606517_100012353730 [0,1,0,0,0,1|1,0,0]=3 559 B19R2.1645535 COc1ccc2[nH]nc(c2n1)SC(C)CN(C)C 62a_100020606517_200010246295 [0,1,0,0,0,1|2,0,0]=4 560 B19R2.1645535 COc1cnc2[nH]cc(c2c1)SC(C)CC(C)C 62a_100000731052_100010199036 [0,1,0,0,0,1|2,0,0]=4 561 B19R2.1645535 COc1cnc2[nH]cc(c2c1)SC(C)CN(C)C 62a_100020606517_100010199036 [0,1,0,0,0,1|1,0,0]=3 562 B19R2.68647 CCOc1ccc2[nH]cc(c2c1)CN(C)C(C)C 270004a_200000211004_100102524904 [0,2,0,0,0,0|2,0,0]=4 563 B19R2.68649 CCOc1ccc2[nH]cc(c2c1)CNC(C)CC 270004a_100000209981_100102524904 [0,2,0,0,0,0|2,0,0]=4 564 B19R2.68649 CCOc1ccc2[nH]cc(c2c1)CN[C@H](C)CF 270004a_100102880703_100102524904 [0,2,0,0,0,0|2,0,0]=4 565 B19R2.68649 CCOc1ccc2[nH]cc(c2c1)CN[C@H](C)CO 270004a_100000737577_100102524904 [0,2,0,0,0,0|2,0,0]=4 566 B19R2.1300398 COC(=O)c1ccc2[nH]cc(c2c1)SCC(C)C 62a_100000210624_100010163954 [0,2,0,0,0,0|2,0,0]=4 567 B19R2.1547484 COc1ccc2c(c1)c(nn2C)[C@@H](N)CC(C)C 271570a_100015190218_100010988832 [0,2,0,0,0,0|2,0,0]=4 568 B19R2.195244 CCC(C)C(=O)Cc1c[nH]c2c1cc(cc2)OC 1458a_100000739362_100000758301 [0,2,0,0,0,0|1,0,1]=4 569 B19R2.195244 CCC(C)N(C)Cc1c[nH]c2c1cc(cc2)OC 270004a_100000741768_100000748866 [0,2,0,0,0,0|2,0,0]=4 570 B19R2.195244 CCN(C)C(=O)Cc1c[nH]c2c1cc(cc2)OC 240690a_100000225621_100000739362 [0,2,0,0,0,0|0,0,1]=3 571 B19R2.195244 CCN(C)C(=O)Cc1c[nH]c2c1cc(cc2)OC 527a_100000225621_100000739362 [0,2,0,0,0,0|0,0,1]=3 572 B19R2.195244 CCc1ccc2[nH]cc(c2c1)CC(=O)N(C)CC 11a_100000225621_100000049097 [0,2,0,0,0,0|1,0,1]=4 573 B19R2.195244 CCc1ccc2[nH]cc(c2c1)CC(=O)N(C)CC 240690a_100000225621_100000049097 [0,2,0,0,0,0|1,0,1]=4 574 B19R2.195244 CCc1ccc2[nH]cc(c2c1)CC(=O)N(C)CC 527a_100000225621_100000049097 [0,2,0,0,0,0|1,0,1]=4 575 B19R2.195244 COc1ccc2[nH]cc(c2c1)CN(C)C(C)CO 270004a_100000693034_100000748866 [0,2,0,0,0,0|2,0,0]=4 576 B19R2.296610 COc1ccc2[nH]c(c(c2c1)CC(=O)C(C)C)C 1458a_100000032111_100000210206 [0,2,0,0,0,0|1,0,1]=4 577 B19R2.296610 COc1ccc2[nH]c(c(c2c1)CC(=O)N(C)C)C 11a_100102631434_100000032111 [0,2,0,0,0,0|0,0,1]=3 578 B19R2.296610 COc1ccc2[nH]c(c(c2c1)CC(=O)N(C)C)C 240690a_100102631434_100000032111 [0,2,0,0,0,0|0,0,1]=3 579 B19R2.296610 COc1ccc2[nH]c(c(c2c1)CC(=O)N(C)C)C 527a_100102631434_100000032111 [0,2,0,0,0,0|0,0,1]=3 580 B19R2.296610 COc1ccc2c(c1)C(=C(C2)C)CC(=O)N(C)C 11a_100102631434_100010423569 [0,2,0,0,0,0|1,0,1]=4 581 B19R2.296610 COc1ccc2c(c1)C(=C(C2)C)CC(=O)N(C)C 240690a_100102631434_100010423569 [0,2,0,0,0,0|1,0,1]=4 582 B19R2.1645153 COc1cc2c(c[nH]c2cn1)SC(C)(C)N(C)C 62a_217856628674_200010163580 [0,2,0,0,0,0|2,0,0]=4 583 B19R2.1645153 COc1ccc2[nH]cc(c2n1)SC(C)(C)N(C)C 62a_217856628674_100010199035 [0,2,0,0,0,0|2,0,0]=4 584 B19R2.1645153 COc1ccc2[nH]nc(c2c1)SC(C)(C)N(C)C 62a_217856628674_100012353730 [0,2,0,0,0,0|2,0,0]=4 585 B19R2.1645153 COc1cnc2[nH]cc(c2c1)SC(C)(C)N(C)C 62a_217856628674_100010199036 [0,2,0,0,0,0|2,0,0]=4 586 B19R2.1645154 COc1ccc2[nH]cc(c2c1)CN(C)C(C)(C)C 270004a_100011215553_100000748866 [0,2,0,0,0,0|2,0,0]=4 587 B19R2.1645537 CCN(Cc1c[nH]c2c1cc(cc2)OC)C(C)C 270004a_100000223864_100000748866 [0,2,0,0,0,0|2,0,0]=4 588 B19R2.1547499 CCC(C)OCc1cn(c2c1cc(cc2)OC)C 34a_100000077082_100011215416 [0,2,0,0,0,0|2,0,0]=4 589 B19R2.1547499 COc1ccc2c(c1)c(cn2C)COC(C)CO 34a_100000077082_100012180447 [0,2,0,0,0,0|2,0,0]=4 590 B19R2.1645536 CCC(CC)NCc1c[nH]c2c1cc(cc2)OC 270004a_100000084035_100000210860 [0,2,0,0,0,0|2,0,0]=4 591 B19R2.1645536 CCC(CC)NCc1c[nH]c2c1cc(cc2)OC 270004a_100000199018_100000748866 [0,2,0,0,0,0|2,0,0]=4 592 B19R2.1645536 CC[C@@H](CO)NCc1c[nH]c2c1cc(cc2)OC 270004a_100000709445_100000748866 [0,2,0,0,0,0|2,0,0]=4 593 B19R2.2722739 C#CC(C)(C)NCc1c[nH]c2c1cc(cc2)OC 270004a_100000054563_100000748866 [0,2,0,0,0,0|2,0,0]=4 594 B19R2.2722739 CCC(C)(C)NCc1c[nH]c2c1cc(cc2)OC 270004a_100000211385_100000748866 [0,2,0,0,0,0|2,0,0]=4 595 B19R2.2722739 COc1ccc2[nH]cc(c2c1)CNC(C)(C)CO 270004a_100000210608_100000748866 [0,2,0,0,0,0|2,0,0]=4 596 B19R2.6651977 C#CCC(=O)CCc1c[nH]c2c1cc(cc2)OC 1458a_100010000191_100000184674 [0,2,0,0,0,0|2,0,0]=4 597 B19R2.6651977 C=CCC(=O)CCc1c[nH]c2c1cc(cc2)OC 1458a_100010000191_100000210623 [0,2,0,0,0,0|2,0,0]=4 598 B19R2.6651977 CCCC(=O)CCc1c[nH]c2c1cc(cc2)OC 1458a_100010000191_100000210303 [0,2,0,0,0,0|2,0,0]=4 599 B19R2.6651977 CCCC(C)NCc1c[nH]c2c1cc(cc2)OC 270004a_100000084035_100000211909 [0,2,0,0,0,0|2,0,0]=4 600 B19R2.6651977 CCCC(C)NCc1c[nH]c2c1cc(cc2)OC 270004a_100000741246_100000748866 [0,2,0,0,0,0|2,0,0]=4 601 B19R2.6651977 CCNC(=O)CCc1c[nH]c2c1cc(cc2)OC 11a_100015525214_100010000191 [0,2,0,0,0,0|2,0,0]=4 602 B19R2.6651977 CCNC(=O)CCc1c[nH]c2c1cc(cc2)OC 240690a_100015525214_100010000191 [0,2,0,0,0,0|2,0,0]=4 603 B19R2.6651977 CCNC(=O)CCc1c[nH]c2c1cc(cc2)OC 527a_100015525214_100010000191 [0,2,0,0,0,0|2,0,0]=4 604 B19R2.6651977 CNNC(=O)CCc1c[nH]c2c1cc(cc2)OC 22a_100016993582_100010000191 [0,2,0,0,0,0|2,0,0]=4 605 B19R2.6651977 COCC(C)NCc1c[nH]c2c1cc(cc2)OC 270004a_100000084035_100000749346 [0,2,0,0,0,0|2,0,0]=4 606 B19R2.6651977 COC[C@@H](C)NCc1c[nH]c2c1cc(cc2)OC 270004a_100000764878_100000748866 [0,2,0,0,0,0|2,0,0]=4 607 B19R2.6651977 COc1ccc2[nH]cc(c2c1)CCC(=O)CC#N 1458a_100010000191_100011214920 [0,2,0,0,0,0|2,0,0]=4 608 B19R2.6651977 COc1ccc2[nH]cc(c2c1)CCC(=O)CCF 1458a_100010000191_100011217306 [0,2,0,0,0,0|2,0,0]=4 609 B19R2.6651977 COc1ccc2[nH]cc(c2c1)CCC(=O)CCO 1458a_100010000191_100000211926 [0,2,0,0,0,0|2,0,0]=4 610 B19R2.6651977 COc1ccc2[nH]cc(c2c1)CNC(C)CSC 270004a_100000084035_100011216314 [0,2,0,0,0,0|2,0,0]=4 611 B19R2.6651977 COc1ccc2[nH]cc(c2c1)CN[C@H](C)CCO 270004a_100000706166_100000748866 [0,2,0,0,0,0|2,0,0]=4 612 B19R2.1547537 COc1ccc2c(c1)c(cn2C)COC(C)(C)C 34a_100000077082_100000210625 [0,2,0,0,0,0|2,0,0]=4 613 B17R2.55 COc1ccc(cc1)NCC2CCN(C2)C 34a_100000184247_200000690779 [0,0,1,1,0,0|0,0,2]=4 614 B17R2.55 COc1ccc(cc1)NN=C2CCC(C2)C 4a_100000005221_100011215218 [0,0,1,1,0,0|2,0,0]=4 615 B17R2.12011 COc1ccc2nccc(c2c1)CN(C)C 270004a_100102631434_100000068177 [0,0,1,1,0,0|0,0,2]=4 616 B17R2.2658 COc1cccc(c1)C2=CCC(CC2)(C)C 271570a_100000069032_100000170001 [0,0,1,1,0,0|2,0,0]=4 617 B17R2.2800 CCc1ccc(c(c1)C2=CCC(CC2)C)N 271570a_100010240233_100012339725 [0,0,1,1,0,0|2,0,0]=4 618 B17R2.2800 COc1ccc(c(c1)C2=CCC(CC2)C)Br 271570a_100010240233_100009992028 [0,0,1,1,0,0|2,0,0]=4 619 B17R2.2800 COc1ccc(c(c1)C2=CCC(CC2)C)C 271570a_100010240233_100012349166 [0,0,1,1,0,0|2,0,0]=4 620 B17R2.2800 COc1ccc(c(c1)C2=CCC(CC2)C)Cl 271570a_100010240233_100011356938 [0,0,1,1,0,0|2,0,0]=4 621 B17R2.2800 COc1ccc(c(c1)C2=CCC(CC2)C)F 271570a_100010240233_100000699733 [0,0,1,1,0,0|2,0,0]=4 622 B17R2.2800 COc1ccc(c(c1)C2=CCC(CC2)C)N 271570a_100010240233_100015195136 [0,0,1,1,0,0|1,0,0]=3 623 B17R2.2800 COc1ccc(c(c1)C2=CCC(CC2)C)O 271570a_100010240233_100000685887 [0,0,1,1,0,0|2,0,0]=4 624 B17R2.2800 COc1ccc(c(c1)C2=CCC(CC2)O)N 271570a_100010254553_100015195136 [0,0,1,1,0,0|2,0,0]=4 625 B17R2.2800 COc1ccc(c(n1)C2=CCC(CC2)C)N 271570a_100010240233_100000069805 [0,0,1,1,0,0|2,0,0]=4 626 B17R2.11812 COc1ccc2[nH]c(c(c2c1)C)CN(C)C 270004a_100102631434_200000067668 [0,0,1,1,0,0|0,0,2]=4 627 B17R3.1513 CSc1ccc2[nH]c3c(c2c1)CCCC3 62a_100000728263_200000210301 [1,0,0,1,0,0|1,1,0]=4 628 B17R3.1513 CSc1ccc2[nH]c3c(c2c1)CCCC3 62a_200000210301_100000728263 [1,0,0,1,0,0|1,1,0]=4 629 B17R3.1513 [13CH3]Sc1ccc2[nH]c3c(c2c1)CCCC3 62a_100000728263_200025704644 [1,0,0,1,0,0|1,1,0]=4 630 B17R3.1513 [13CH3]Sc1ccc2[nH]c3c(c2c1)CCCC3 62a_200025704644_100000728263 [1,0,0,1,0,0|1,1,0]=4 631 B19R3.1571191 COc1ccc2[nH]cc(c2c1)CN3CC(C3)C 270004a_100000702820_100000748866 [0,0,0,1,0,1|1,0,0]=3 632 B19R3.1571191 COc1ccc2[nH]cc(c2c1)CN3CC(C3)F 270004a_100000690557_100000748866 [0,0,0,1,0,1|2,0,0]=4 633 B19R3.1571191 COc1ccc2[nH]nc(c2c1)CN3CC(C3)C 270004a_100000702820_100000084273 [0,0,0,1,0,1|2,0,0]=4 634 B19R3.1571192 COc1cc2c(c[nH]c2cn1)SCCC3CC3 62a_100000764125_200010163580 [0,0,0,1,0,1|2,0,0]=4 635 B19R3.1571192 COc1ccc2[nH]cc(c2c1)CCOC3CC3 34a_200011933912_100000211595 [0,0,0,1,0,1|1,0,0]=3 636 B19R3.1571192 COc1ccc2[nH]cc(c2c1)CNCC3CC3 270004a_100000735609_100000748866 [0,0,0,1,0,1|1,0,0]=3 637 B19R3.1571192 COc1ccc2[nH]cc(c2n1)SCCC3CC3 62a_100000764125_100010199035 [0,0,0,1,0,1|2,0,0]=4 638 B19R3.1571192 COc1ccc2[nH]nc(c2c1)CNCC3CC3 207a_100000735609_100000084273 [0,0,0,1,0,1|2,0,0]=4 639 B19R3.1571192 COc1ccc2[nH]nc(c2c1)CNCC3CC3 270004a_100000735609_100000084273 [0,0,0,1,0,1|2,0,0]=4 640 B19R3.1571192 COc1ccc2[nH]nc(c2c1)SCCC3CC3 62a_100000764125_100012353730 [0,0,0,1,0,1|2,0,0]=4 641 B19R3.1571192 COc1cnc2[nH]cc(c2c1)SCCC3CC3 62a_100000764125_100010199036 [0,0,0,1,0,1|2,0,0]=4 642 B19R3.1571193 COc1ccc2[nH]cc(c2c1)CN(C)C3CC3 270004a_100000226674_100000748866 [0,1,0,1,0,0|2,0,0]=4 643 B19R3.29340 CCN1CCc2c([nH]c3c2cc(cc3)OC)C1 2230a_100015313494_100000210202 [0,1,0,1,0,0|0,0,0]=2 644 B19R3.29340 CCN1CCc2c([nH]c3c2cc(cc3)OC)C1 269982a_100015313494_100000204670 [0,1,0,1,0,0|0,0,0]=2 645 B19R3.29340 COc1ccc2[nH]c3c(c2c1)CCN(C3)CF 269982a_100015313494_100015361967 [0,1,0,1,0,0|0,0,0]=2 646 B19R3.1571197 COc1ccc2[nH]cc(c2c1)CNC3CCC3 270004a_100000084035_100000241760 [0,1,0,1,0,0|2,0,0]=4 647 B19R3.1571197 COc1ccc2[nH]cc(c2c1)CNC3COC3 270004a_100016991112_100000748866 [0,1,0,1,0,0|2,0,0]=4 648 B19R3.1571197 COc1ccc2[nH]cc(c2c1)CNC3CSC3 270004a_100016994217_100000748866 [0,1,0,1,0,0|2,0,0]=4 649 B19R3.1407760 COc1ccc2c(c1)c(cn2C)COC3CC3 34a_100000077082_100000211595 [0,1,0,1,0,0|2,0,0]=4 650 B15R1.4 COc1ccc(cc1)/C=C/COC(C)C 34a_200016269047_100000210206 [0,0,1,0,1,0|2,0,0]=4 651 B15R1.4 COc1ccc(cc1)CCCCN(C)C 2230a_100102631434_100012285823 [0,0,1,0,1,0|0,0,2]=4 652 B15R1.4 COc1ccc(cc1)CCCCN(C)C 269982a_100102631434_100012285823 [0,0,1,0,1,0|0,0,2]=4 653 B15R1.4 COc1ccc(cc1)CNCCN(C)C 207a_100000210585_100000169835 [0,0,1,0,1,0|1,0,1]=4 654 B15R1.4 COc1ccc(cc1)CNCCN(C)C 270004a_100000210585_100000169835 [0,0,1,0,1,0|1,0,1]=4 655 B15R1.4 COc1ccc(cc1)NCCCC(C)C 34a_100000184247_100011214892 [0,0,1,0,1,0|1,0,1]=4 656 B15R1.4 COc1ccc(cc1)NN=CCC(C)C 4a_100000005221_100000185833 [0,0,1,0,1,0|2,0,0]=4 657 B15R1.4 COc1ccc(cc1)OCCCN(C)C 2230a_100000225731_200000210301 [0,0,1,0,1,0|1,0,1]=4 658 B15R1.4 COc1ccc(cc1)OCCCN(C)C 2230a_100102631434_100000212274 [0,0,1,0,1,0|1,0,1]=4 659 B15R1.4 COc1ccc(cc1)OCCCN(C)C 269982a_100000225731_200000210301 [0,0,1,0,1,0|1,0,1]=4 660 B15R1.4 COc1ccc(cc1)OCCCN(C)C 269982a_100102631434_100000212274 [0,0,1,0,1,0|1,0,1]=4 661 B15R1.4 COc1ccc(cc1)OCCCN(C)C 34a_100000225731_200000210301 [0,0,1,0,1,0|1,0,1]=4 662 B15R1.4 COc1ccc(cc1)OCCCN(C)[13CH3] 2230a_100000225731_200025704644 [0,0,1,0,1,0|1,0,1]=4 663 B15R1.4 COc1ccc(cc1)OCCCN(C)[13CH3] 269982a_100000225731_200025704644 [0,0,1,0,1,0|1,0,1]=4 664 B15R1.4 COc1ccc(cc1)OCCCN(C)[13CH3] 34a_100000225731_200025704644 [0,0,1,0,1,0|1,0,1]=4 665 B15R1.1863 COc1ccc(c(c1)C(=O)CN(C)C)O 269982a_100102631434_100010402061 [0,0,1,0,1,0|2,0,0]=4 666 B15R2.9410 CC(=O)Cc1c[nH]c2c1cc(cc2)C 1458a_100102525273_200000210301 [1,0,0,0,1,0|2,0,0]=4 667 B15R2.9410 CC(=O)Cc1c[nH]c2c1cc(cc2)O 1458a_100000031536_200000210301 [1,0,0,0,1,0|2,0,0]=4 668 B15R2.9410 CN(C)Cc1c[nH]c2c1cc(cc2)O 271570a_203496583355_100000728258 [1,0,0,0,1,0|0,0,0]=2 669 B15R2.9410 CN(C)Cc1c[nH]c2c1cc(cn2)O 271570a_203496583355_200010174824 [1,0,0,0,1,0|1,0,0]=3 670 B15R2.9410 CN(C)Cc1csc2c1cc(cc2)Br 270004a_100102631434_100009814807 [1,0,0,0,1,0|2,0,0]=4 671 B15R2.9410 CN(C)Cc1csc2c1cc(cc2)Cl 2230a_100102631434_100009814428 [1,0,0,0,1,0|2,0,0]=4 672 B15R2.9410 CN(C)Cc1csc2c1cc(cc2)Cl 269982a_100102631434_100009814428 [1,0,0,0,1,0|2,0,0]=4 673 B15R2.9410 CN(C)Cc1csc2c1cc(cc2)Cl 270004a_100102631434_100000040578 [1,0,0,0,1,0|2,0,0]=4 674 B15R2.9410 CN(C)Cc1csc2c1cc(cc2)F 2230a_100102631434_100010109839 [1,0,0,0,1,0|2,0,0]=4 675 B15R2.9410 CN(C)Cc1csc2c1cc(cc2)F 269982a_100102631434_100010109839 [1,0,0,0,1,0|2,0,0]=4 676 B15R2.9410 CN(C)Cc1n[nH]c2c1cc(cc2)Br 270004a_100102631434_100009888965 [1,0,0,0,1,0|2,0,0]=4 677 B15R2.9410 CN(C)Cc1n[nH]c2c1cc(cc2)Cl 270004a_100102631434_100000086617 [1,0,0,0,1,0|2,0,0]=4 678 B15R2.9410 CN(C)Cc1n[nH]c2c1cc(cc2)F 270004a_100102631434_100000084349 [1,0,0,0,1,0|2,0,0]=4 679 B15R2.9410 Cc1ccc2[nH]cc(c2c1)CC(=O)[13CH3] 1458a_100102525273_200025704644 [1,0,0,0,1,0|2,0,0]=4 680 B15R2.9410 Cc1ccc2[nH]nc(c2c1)CN(C)C 270004a_100102631434_100000050950 [1,0,0,0,1,0|1,0,0]=3 681 B15R2.9410 Cc1ccc2ncc(n2c1)CN(C)C 270004a_100102631434_100000097737 [1,0,0,0,1,0|1,0,1]=4 682 B15R2.9410 [13CH3]C(=O)Cc1c[nH]c2c1cc(cc2)O 1458a_100000031536_200025704644 [1,0,0,0,1,0|2,0,0]=4 683 B15R2.3137 CC(C)c1c[nH]c2c1cc(cc2)S[13CH3] 62a_200025704644_100014147963 [0,0,0,0,2,0|1,1,0]=4 684 B15R2.3137 CSc1ccc2[nH]cc(c2c1)C(C)C 62a_200000210301_100014147963 [0,0,0,0,2,0|1,1,0]=4 685 B17R1.2 COc1ccc(cc1)C=CCNCCN(C)C 270004a_100000210585_100016259823 [0,0,1,0,0,1|1,0,1]=4 686 B17R1.2 COc1ccc(cc1)CNCCCCN(C)C 207a_100025707445_100000169835 [0,0,1,0,0,1|0,0,2]=4 687 B17R1.6720 COc1ccc(c(c1)NC(=O)CCN(C)C)Br 11a_100000748603_100000689311 [0,0,1,0,0,1|2,0,0]=4 688 B17R1.6720 COc1ccc(c(c1)NC(=O)CCN(C)C)Br 22a_100000748603_100000689311 [0,0,1,0,0,1|2,0,0]=4 689 B17R1.6720 COc1ccc(c(c1)NC(=O)CCN(C)C)C 11a_100000760359_100000689311 [0,0,1,0,0,1|2,0,0]=4 690 B17R1.6720 COc1ccc(c(c1)NC(=O)CCN(C)C)C 22a_100000760359_100000689311 [0,0,1,0,0,1|2,0,0]=4 691 B17R1.6720 COc1ccc(c(c1)NC(=O)CCN(C)C)C 527a_100000760359_100000689311 [0,0,1,0,0,1|2,0,0]=4 692 B17R1.6720 COc1ccc(c(c1)NC(=O)CCN(C)C)Cl 11a_100000745576_100000689311 [0,0,1,0,0,1|2,0,0]=4 693 B17R1.6720 COc1ccc(c(c1)NC(=O)CCN(C)C)Cl 22a_100000745576_100000689311 [0,0,1,0,0,1|2,0,0]=4 694 B17R1.6720 COc1ccc(c(c1)NC(=O)CCN(C)C)F 11a_100000764331_100000689311 [0,0,1,0,0,1|2,0,0]=4 695 B17R1.6720 COc1ccc(c(c1)NC(=O)CCN(C)C)F 22a_100000764331_100000689311 [0,0,1,0,0,1|2,0,0]=4 696 B17R1.6720 COc1ccc(c(c1)NC(=O)CCN(C)C)F 527a_100000764331_100000689311 [0,0,1,0,0,1|2,0,0]=4 697 B17R1.6720 COc1ccc(c(c1)NC(=O)CCN(C)C)I 11a_100000748021_100000689311 [0,0,1,0,0,1|2,0,0]=4 698 B17R1.6720 COc1ccc(c(c1)NC(=O)CCN(C)C)I 22a_100000748021_100000689311 [0,0,1,0,0,1|2,0,0]=4 699 B17R1.6720 COc1ccc(c(c1)NC(=O)CCN(C)C)O 22a_100000188146_100000689311 [0,0,1,0,0,1|2,0,0]=4 700 B17R1.6720 COc1ccc(c(c1)NC(=O)CCN(C)C)O 527a_100000188146_100000689311 [0,0,1,0,0,1|2,0,0]=4 701 B17R1.6732 COc1ccc(c(c1)C(=O)CCCN(C)C)Br 1458a_100000211723_100000695564 [0,0,1,0,0,1|2,0,0]=4 702 B17R1.6732 COc1ccc(c(c1)C(=O)CCCN(C)C)C 1458a_100011399813_100000695564 [0,0,1,0,0,1|2,0,0]=4 703 B17R1.6732 COc1ccc(c(c1)C(=O)CCCN(C)C)Cl 1458a_100000763818_100000695564 [0,0,1,0,0,1|2,0,0]=4 704 B17R1.6732 COc1ccc(c(c1)C(=O)CCCN(C)C)F 1458a_100011217016_100000695564 [0,0,1,0,0,1|2,0,0]=4 705 B17R1.6732 COc1ccc(c(c1)C(=O)CCCN(C)C)I 1458a_100012339533_100000695564 [0,0,1,0,0,1|2,0,0]=4 706 B17R1.6732 COc1ccc(c(c1)C(=O)CCCN(C)C)O 1458a_100000211986_100000695564 [0,0,1,0,0,1|2,0,0]=4 707 B17R1.6732 COc1ccc(c(c1)C(=O)NCCN(C)C)Br 240690a_100000210585_100000211723 [0,0,1,0,0,1|2,0,0]=4 708 B17R1.6732 COc1ccc(c(c1)C(=O)NCCN(C)C)Br 527a_100000210585_100000211723 [0,0,1,0,0,1|2,0,0]=4 709 B17R1.6732 COc1ccc(c(c1)C(=O)NCCN(C)C)C 240690a_100000210585_100011399813 [0,0,1,0,0,1|2,0,0]=4 710 B17R1.6732 COc1ccc(c(c1)C(=O)NCCN(C)C)C 527a_100000210585_100011399813 [0,0,1,0,0,1|2,0,0]=4 711 B17R1.6732 COc1ccc(c(c1)C(=O)NCCN(C)C)Cl 240690a_100000210585_100000763818 [0,0,1,0,0,1|2,0,0]=4 712 B17R1.6732 COc1ccc(c(c1)C(=O)NCCN(C)C)Cl 527a_100000210585_100000763818 [0,0,1,0,0,1|2,0,0]=4 713 B17R1.6732 COc1ccc(c(c1)C(=O)NCCN(C)C)F 240690a_100000210585_100011217016 [0,0,1,0,0,1|2,0,0]=4 714 B17R1.6732 COc1ccc(c(c1)C(=O)NCCN(C)C)F 527a_100000210585_100011217016 [0,0,1,0,0,1|2,0,0]=4 715 B17R1.6732 COc1ccc(c(c1)C(=O)NCCN(C)C)I 240690a_100000210585_100012339533 [0,0,1,0,0,1|2,0,0]=4 716 B17R1.6732 COc1ccc(c(c1)C(=O)NCCN(C)C)I 527a_100000210585_100012339533 [0,0,1,0,0,1|2,0,0]=4 717 B17R1.6732 COc1ccc(c(c1)C(=O)NCCN(C)C)O 240690a_100000210585_100000211986 [0,0,1,0,0,1|2,0,0]=4 718 B17R1.6732 COc1ccc(c(c1)C(=O)NCCN(C)C)O 527a_100000210585_100000211986 [0,0,1,0,0,1|2,0,0]=4 719 B17R2.25462 CC(=O)NCCc1c[nH]c2c1cc(cc2)C 11a_100000008874_100015343762 [1,0,0,0,0,1|2,0,0]=4 720 B17R2.25462 CC(=O)NCCc1c[nH]c2c1cc(cc2)C 240690a_100000008874_100015343762 [1,0,0,0,0,1|2,0,0]=4 721 B17R2.25462 CC(=O)NCCc1c[nH]c2c1cc(cc2)C 527a_100000008874_100103153847 [1,0,0,0,0,1|2,0,0]=4 722 B17R2.25462 CC(=O)NCCc1c[nH]c2c1cc(cc2)O 240690a_100000009091_100015343762 [1,0,0,0,0,1|2,0,0]=4 723 B17R2.25462 CC(=O)NCCc1c[nH]c2c1cc(cc2)O 527a_100000009091_100103153847 [1,0,0,0,0,1|2,0,0]=4 724 B17R2.25462 CC(C)NCCc1c[nH]c2c1cc(cc2)Br 2230a_100016990496_100000210206 [1,0,0,0,0,1|2,0,0]=4 725 B17R2.25462 CC(C)NCCc1c[nH]c2c1cc(cc2)Cl 2230a_100000763428_100000210206 [1,0,0,0,0,1|2,0,0]=4 726 B17R2.25462 CC(C)NCCc1c[nH]c2c1cc(cc2)F 2230a_100000725365_100000210206 [1,0,0,0,0,1|2,0,0]=4 727 B17R2.25462 CC(C)OCCc1c[nH]c2c1cc(cc2)F 34a_100012000159_100000210206 [1,0,0,0,0,1|2,0,0]=4 728 B17R2.25462 CN(C)CCSc1c[nH]c2c1cc(cn2)Br 62a_100011290788_100000755713 [1,0,0,0,0,1|2,0,0]=4 729 B17R2.25462 CN(C)CCSc1c[nH]c2c1nc(cc2)Br 62a_100010168532_100000755713 [1,0,0,0,0,1|2,0,0]=4 730 B17R2.25462 CN(C)CCSc1csc2c1cc(cc2)N 62a_100011178648_100000755713 [1,0,0,0,0,1|2,0,0]=4 731 B17R2.25462 Cc1ccc2[nH]cc(c2c1)CCNC(C)C 2230a_100000008874_100000210206 [1,0,0,0,0,1|1,0,0]=3 732 B17R2.25462 Cc1ccc2[nH]cc(c2n1)SCCC(C)C 62a_100000210312_100010212567 [1,0,0,0,0,1|2,0,0]=4 733 B17R2.25462 Cc1ccc2[nH]nc(c2c1)CNCC(C)C 207a_100000210953_100000050950 [1,0,0,0,0,1|2,0,0]=4 734 B17R2.25462 Cc1ccc2[nH]nc(c2c1)CNCC(C)C 270004a_100000210953_100000050950 [1,0,0,0,0,1|2,0,0]=4 735 B17R2.25462 Cc1ccc2[nH]nc(c2c1)SCCC(C)C 62a_100000210312_100000123028 [1,0,0,0,0,1|2,0,0]=4 736 B17R2.25462 Cc1cnc2[nH]cc(c2c1)SCCC(C)C 62a_100000210312_100010246215 [1,0,0,0,0,1|2,0,0]=4 737 B17R2.59605 CCCCc1ccc2ccc(cc2c1)OC 271570a_100020621405_100010090027 [1,0,0,0,0,1|2,0,0]=4 738 B17R2.59605 CCCCc1ccc2ccc(cc2n1)OC 271570a_100020621405_100009877240 [1,0,0,0,0,1|2,0,0]=4 739 B17R2.59605 CCCCc1cnc2ccc(cc2c1)OC 271570a_100020621405_100000700671 [1,0,0,0,0,1|1,0,1]=4 740 B17R2.59605 CCCCc1cnc2ccc(cc2n1)OC 271570a_100020621405_100009882714 [1,0,0,0,0,1|1,0,1]=4 741 B17R2.342035 CCCCc1cccc2c1cc(cc2)OC 271570a_100020621405_100010178974 [1,0,0,0,0,1|2,0,0]=4 742 B17R2.342035 CCCCc1ccnc2c1cc(cc2)OC 271570a_100020621405_100011310462 [1,0,0,0,0,1|1,0,1]=4 743 B17R2.342035 CCCCc1nccc2c1cc(cc2)OC 271570a_100020621405_100012348807 [1,0,0,0,0,1|2,0,0]=4 744 B17R2.342035 CCCCc1ncnc2c1cc(cc2)OC 271570a_100020621405_100011804145 [1,0,0,0,0,1|1,0,1]=4 745 B17R2.342035 CNCCc1cccc2c1cc(cc2)OC 2230a_100015190247_200000210301 [1,0,0,0,0,1|1,0,0]=3 746 B17R2.342035 CNCCc1cccc2c1cc(cc2)OC 34a_100015190247_200000210301 [1,0,0,0,0,1|1,0,0]=3 747 B17R2.342035 COc1ccc2cccc(c2c1)CCN[13CH3] 2230a_100015190247_200025704644 [1,0,0,0,0,1|1,0,0]=3 748 B17R2.342035 COc1ccc2cccc(c2c1)CCN[13CH3] 34a_100015190247_200025704644 [1,0,0,0,0,1|1,0,0]=3 749 B17R2.2764 COc1cc2[nH]cc(c2cn1)SCC(C)C 62a_100000210624_200010168631 [0,0,0,0,1,1|2,0,0]=4 750 B17R2.2764 COc1cnc2c(c[nH]c2c1)SCC(C)C 62a_100000210624_200010168573 [0,0,0,0,1,1|2,0,0]=4 751 B17R2.63388 COc1nccc2c1c(c[nH]2)SCC(C)C 62a_100000210624_100010206807 [0,0,0,0,1,1|2,0,0]=4 752 B19R2.26602 COc1ccc2ccc(cc2c1)COCC(C)C 34a_100009888446_100000210624 [0,0,0,0,0,2|2,0,0]=4 753 B19R2.26602 COc1ccc2ccc(cc2c1)COCC(C)C 7a_100009888446_100000210760 [0,0,0,0,0,2|2,0,0]=4 754 B19R2.26602 COc1ccc2ccc(cc2c1)OCCC(C)C 34a_100000179802_100000210312 [0,0,0,0,0,2|2,0,0]=4 755 B19R2.26602 COc1ccc2ccc(cc2c1)OCCC(C)C 7a_100000179802_100000210626 [0,0,0,0,0,2|2,0,0]=4 756 B19R2.26602 COc1ccc2ccc(cc2c1)OCCN(C)C 7a_100000179802_100000755713 [0,0,0,0,0,2|1,0,0]=3 757 B19R2.26602 COc1ccc2ccc(cc2c1)SCCC(C)C 62a_100000210312_100010090027 [0,0,0,0,0,2|2,0,0]=4 758 B19R2.26602 COc1ccc2ccc(cc2n1)SCCN(C)C 62a_100010248626_100000755713 [0,0,0,0,0,2|2,0,0]=4 759 B19R2.26602 COc1ccc2ccc(nc2c1)NCCC(C)C 27a_100000210545_100009877240 [0,0,0,0,0,2|2,0,0]=4 760 B19R2.26602 COc1ccc2ccc(nc2c1)NCCN(C)C 27a_100000210585_100009877240 [0,0,0,0,0,2|1,0,0]=3 761 B19R2.26602 COc1ccc2ccc(nc2c1)SCCC(C)C 62a_100000210312_100009877240 [0,0,0,0,0,2|2,0,0]=4 762 B19R2.26602 COc1ccc2cnc(nc2c1)NCCN(C)C 27a_100000210585_100000059825 [0,0,0,0,0,2|2,0,0]=4 763 B19R2.26602 COc1ccc2ncc(cc2c1)SCCC(C)C 62a_100000210312_100000700671 [0,0,0,0,0,2|1,0,1]=4 764 B19R2.26602 COc1ccc2ncc(nc2c1)NCCC(C)C 27a_100000210545_100009882714 [0,0,0,0,0,2|1,0,1]=4 765 B19R2.26602 COc1ccc2ncc(nc2c1)NCCN(C)C 27a_100000210585_100009882714 [0,0,0,0,0,2|0,0,1]=3 766 B19R2.26602 COc1ccc2ncc(nc2c1)SCCC(C)C 62a_100000210312_100009882714 [0,0,0,0,0,2|1,0,1]=4 767 B19R2.27143 COc1cc2c(cccc2cn1)SCCN(C)C 62a_100010126886_100000755713 [0,0,0,0,0,2|2,0,0]=4 768 B19R2.27143 COc1ccc2cccc(c2c1)CCNC(C)C 2230a_100015190247_100000210206 [0,0,0,0,0,2|2,0,0]=4 769 B19R2.27143 COc1ccc2cccc(c2c1)CCNC(C)C 34a_100015190247_100000210206 [0,0,0,0,0,2|2,0,0]=4 770 B19R2.27143 COc1ccc2cccc(c2c1)NCCC(C)C 34a_100000087654_100000210312 [0,0,0,0,0,2|2,0,0]=4 771 B19R2.27143 COc1ccc2cccc(c2c1)OCCC(C)C 34a_100000040783_100000210312 [0,0,0,0,0,2|2,0,0]=4 772 B19R2.27143 COc1ccc2cccc(c2c1)OCCC(C)C 7a_100000040783_100000210626 [0,0,0,0,0,2|2,0,0]=4 773 B19R2.27143 COc1ccc2cccc(c2c1)OCCN(C)C 7a_100000040783_100000755713 [0,0,0,0,0,2|1,0,0]=3 774 B19R2.27143 COc1ccc2cccc(c2c1)SCCC(C)C 62a_100000210312_100010178974 [0,0,0,0,0,2|2,0,0]=4 775 B19R2.27143 COc1ccc2ccnc(c2c1)NCCC(C)C 27a_100000210545_100012348807 [0,0,0,0,0,2|2,0,0]=4 776 B19R2.27143 COc1ccc2ccnc(c2c1)NCCN(C)C 27a_100000210585_100012348807 [0,0,0,0,0,2|1,0,0]=3 777 B19R2.27143 COc1ccc2ccnc(c2c1)SCCC(C)C 62a_100000210312_100012348807 [0,0,0,0,0,2|2,0,0]=4 778 B19R2.27143 COc1ccc2nccc(c2c1)CNCC(C)C 207a_100000210953_100000068177 [0,0,0,0,0,2|1,0,1]=4 779 B19R2.27143 COc1ccc2nccc(c2c1)CNCC(C)C 270004a_100000210953_100000068177 [0,0,0,0,0,2|1,0,1]=4 780 B19R2.27143 COc1ccc2nccc(c2c1)NCCC(C)C 27a_100000210545_100011310462 [0,0,0,0,0,2|1,0,1]=4 781 B19R2.27143 COc1ccc2nccc(c2c1)NCCN(C)C 27a_100000210585_100011310462 [0,0,0,0,0,2|0,0,1]=3 782 B19R2.27143 COc1ccc2nccc(c2c1)OCCC(C)C 34a_100000005308_100000210312 [0,0,0,0,0,2|1,0,1]=4 783 B19R2.27143 COc1ccc2nccc(c2c1)SCCC(C)C 62a_100000210312_100011310462 [0,0,0,0,0,2|1,0,1]=4 784 B19R2.27143 COc1ccc2nccc(c2n1)NCCN(C)C 27a_100000210585_100000090520 [0,0,0,0,0,2|1,0,1]=4 785 B19R2.27143 COc1ccc2nccc(c2n1)SCCN(C)C 62a_100010199756_100000755713 [0,0,0,0,0,2|1,0,1]=4 786 B19R2.27143 COc1ccc2ncnc(c2c1)NCCC(C)C 27a_100000210545_100011804145 [0,0,0,0,0,2|1,0,1]=4 787 B19R2.27143 COc1ccc2ncnc(c2c1)NCCN(C)C 27a_100000210585_100011804145 [0,0,0,0,0,2|0,0,1]=3 788 B19R2.27143 COc1ccc2ncnc(c2c1)SCCC(C)C 62a_100000210312_100011804145 [0,0,0,0,0,2|1,0,1]=4 789 B19R2.195245 C=C(C)CNCCc1c[nH]c2c1cc(cc2)OC 2230a_100000755253_100000748629 [0,0,0,0,0,2|1,0,1]=4 790 B19R2.195245 C=C(C)COCCc1c[nH]c2c1cc(cc2)OC 34a_200011933912_100000748629 [0,0,0,0,0,2|1,0,1]=4 791 B19R2.195245 CN(C)CCCCc1c[nH]c2c1cc(cc2)C#N 2230a_100102631434_100010209402 [0,0,0,0,0,2|2,0,0]=4 792 B19R2.195245 CN(C)CCCCc1c[nH]c2c1cc(cc2)C#N 269982a_100102631434_100010209402 [0,0,0,0,0,2|2,0,0]=4 793 B19R2.195245 COc1cc2c(c[nH]c2cn1)SCCC=C(C)C 62a_100011217483_200010163580 [0,0,0,0,0,2|2,0,0]=4 794 B19R2.195245 COc1cc2c(c[nH]c2cn1)SCCCC(C)C 62a_100011214892_200010163580 [0,0,0,0,0,2|2,0,0]=4 795 B19R2.195245 COc1cc2c(c[nH]c2cn1)SCCOC(C)C 62a_100000211751_200010163580 [0,0,0,0,0,2|2,0,0]=4 796 B19R2.195245 COc1cc2c(c[nH]c2cn1)SCCSC(C)C 62a_100000730970_200010163580 [0,0,0,0,0,2|2,0,0]=4 797 B19R2.195245 COc1ccc2[nH]cc(c2c1)CCNCC(C)C 2230a_100000755253_100000210760 [0,0,0,0,0,2|1,0,0]=3 798 B19R2.195245 COc1ccc2[nH]cc(c2c1)CCNCC(C)C 270004a_100000755253_100000210432 [0,0,0,0,0,2|1,0,0]=3 799 B19R2.195245 COc1ccc2[nH]cc(c2c1)CCNCC(C)O 2230a_100000755253_100011218427 [0,0,0,0,0,2|2,0,0]=4 800 B19R2.195245 COc1ccc2[nH]cc(c2c1)CCNC[C@@H](C)O 2230a_100000755253_100009817552 [0,0,0,0,0,2|2,0,0]=4 801 B19R2.195245 COc1ccc2[nH]cc(c2c1)CCOCC(C)C 34a_200011933912_100000210624 [0,0,0,0,0,2|1,0,0]=3 802 B19R2.195245 COc1ccc2[nH]cc(c2c1)CCOCC(C)O 34a_200011933912_100011218427 [0,0,0,0,0,2|2,0,0]=4 803 B19R2.195245 COc1ccc2[nH]cc(c2c1)CCOC[C@@H](C)O 34a_200011933912_100009817552 [0,0,0,0,0,2|2,0,0]=4 804 B19R2.195245 COc1ccc2[nH]cc(c2c1)CNCC=C(C)C 270004a_100000718196_100000748866 [0,0,0,0,0,2|1,0,0]=3 805 B19R2.195245 COc1ccc2[nH]cc(c2c1)CNCCC(C)C 270004a_100000210545_100000748866 [0,0,0,0,0,2|1,0,0]=3 806 B19R2.195245 COc1ccc2[nH]cc(c2c1)CNCCC(C)O 270004a_200000755665_100000748866 [0,0,0,0,0,2|2,0,0]=4 807 B19R2.195245 COc1ccc2[nH]cc(c2c1)CNCCN(C)C 270004a_100000210585_100000748866 [0,0,0,0,0,2|0,0,0]=2 808 B19R2.195245 COc1ccc2[nH]cc(c2n1)SCCC=C(C)C 62a_100011217483_100010199035 [0,0,0,0,0,2|2,0,0]=4 809 B19R2.195245 COc1ccc2[nH]cc(c2n1)SCCCC(C)C 62a_100011214892_100010199035 [0,0,0,0,0,2|2,0,0]=4 810 B19R2.195245 COc1ccc2[nH]cc(c2n1)SCCOC(C)C 62a_100000211751_100010199035 [0,0,0,0,0,2|2,0,0]=4 811 B19R2.195245 COc1ccc2[nH]cc(c2n1)SCCSC(C)C 62a_100000730970_100010199035 [0,0,0,0,0,2|2,0,0]=4 812 B19R2.195245 COc1ccc2[nH]nc(c2c1)CNCC=C(C)C 270004a_100000718196_100000084273 [0,0,0,0,0,2|2,0,0]=4 813 B19R2.195245 COc1ccc2[nH]nc(c2c1)CNCCC(C)C 207a_100000210545_100000084273 [0,0,0,0,0,2|2,0,0]=4 814 B19R2.195245 COc1ccc2[nH]nc(c2c1)CNCCC(C)C 270004a_100000210545_100000084273 [0,0,0,0,0,2|2,0,0]=4 815 B19R2.195245 COc1ccc2[nH]nc(c2c1)CNCCN(C)C 207a_100000210585_100000084273 [0,0,0,0,0,2|1,0,0]=3 816 B19R2.195245 COc1ccc2[nH]nc(c2c1)CNCCN(C)C 270004a_100000210585_100000084273 [0,0,0,0,0,2|1,0,0]=3 817 B19R2.195245 COc1ccc2[nH]nc(c2c1)SCCC=C(C)C 62a_100011217483_100012353730 [0,0,0,0,0,2|2,0,0]=4 818 B19R2.195245 COc1ccc2[nH]nc(c2c1)SCCCC(C)C 62a_100011214892_100012353730 [0,0,0,0,0,2|2,0,0]=4 819 B19R2.195245 COc1ccc2[nH]nc(c2c1)SCCOC(C)C 62a_100000211751_100012353730 [0,0,0,0,0,2|2,0,0]=4 820 B19R2.195245 COc1ccc2[nH]nc(c2c1)SCCSC(C)C 62a_100000730970_100012353730 [0,0,0,0,0,2|2,0,0]=4 821 B19R2.195245 COc1cnc2[nH]cc(c2c1)SCCC=C(C)C 62a_100011217483_100010199036 [0,0,0,0,0,2|2,0,0]=4 822 B19R2.195245 COc1cnc2[nH]cc(c2c1)SCCCC(C)C 62a_100011214892_100010199036 [0,0,0,0,0,2|2,0,0]=4 823 B19R2.195245 COc1cnc2[nH]cc(c2c1)SCCOC(C)C 62a_100000211751_100010199036 [0,0,0,0,0,2|2,0,0]=4 824 B19R2.195245 COc1cnc2[nH]cc(c2c1)SCCSC(C)C 62a_100000730970_100010199036 [0,0,0,0,0,2|2,0,0]=4