0 B17R2.73242 C=C(C)CSc1c[nH]c2c1cc(cn2)OC 62a_100000748629_100010199036 [0,0,0,0,0,0|4,0,0]=4 1 B17R2.73242 C=C(C)CSc1c[nH]c2c1cc(nc2)OC 62a_100000748629_200010163580 [0,0,0,0,0,0|4,0,0]=4 2 B17R2.73242 C=C(C)CSc1c[nH]c2c1nc(cc2)OC 62a_100000748629_100010199035 [0,0,0,0,0,0|4,0,0]=4 3 B17R2.73242 C=C(C)CSc1n[nH]c2c1cc(cc2)OC 62a_100000748629_100012353730 [0,0,0,0,0,0|4,0,0]=4 4 B17R2.73242 C=C(F)CSc1c[nH]c2c1cc(cn2)OC 62a_100000042424_100010199036 [0,0,0,0,0,0|4,0,0]=4 5 B17R2.73242 C=C(F)CSc1c[nH]c2c1cc(nc2)OC 62a_100000042424_200010163580 [0,0,0,0,0,0|4,0,0]=4 6 B17R2.73242 C=C(F)CSc1c[nH]c2c1nc(cc2)OC 62a_100000042424_100010199035 [0,0,0,0,0,0|4,0,0]=4 7 B17R2.73242 C=C(F)CSc1n[nH]c2c1cc(cc2)OC 62a_100000042424_100012353730 [0,0,0,0,0,0|4,0,0]=4 8 B17R2.73242 COc1cc2c(c[nH]c2cn1)SCC(=O)N 62a_100000747473_200010163580 [0,0,0,0,0,0|3,0,0]=3 9 B17R2.73242 COc1cc2c(c[nH]c2cn1)SCC(=O)[O-] 62a_100020667443_200010163580 [0,0,0,0,0,0|2,0,1]=3 10 B17R2.73242 COc1cc2c(c[nH]c2cn1)SCC(C)O 62a_100011218427_200010163580 [0,0,0,0,0,0|3,0,1]=4 11 B17R2.73242 COc1cc2c(c[nH]c2cn1)SC[C@@H](C)O 62a_100009817552_200010163580 [0,0,0,0,0,0|3,0,1]=4 12 B17R2.73242 COc1ccc2[nH]cc(c2c1)CCC(=O)C 1458a_100010000191_200000210301 [0,0,0,0,0,0|1,0,0]=1 13 B17R2.73242 COc1ccc2[nH]cc(c2c1)CCC(=O)[13CH3] 1458a_100010000191_200025704644 [0,0,0,0,0,0|1,0,0]=1 14 B17R2.73242 COc1ccc2[nH]cc(c2c1)CNC(=O)C 11a_100000084035_100015343762 [0,0,0,0,0,0|2,0,0]=2 15 B17R2.73242 COc1ccc2[nH]cc(c2c1)CNC(=O)C 240690a_100000084035_100015343762 [0,0,0,0,0,0|2,0,0]=2 16 B17R2.73242 COc1ccc2[nH]cc(c2c1)CNC(=O)C 527a_100000084035_100103153847 [0,0,0,0,0,0|2,0,0]=2 17 B17R2.73242 COc1ccc2[nH]cc(c2n1)SCC(=O)N 62a_100000747473_100010199035 [0,0,0,0,0,0|3,0,0]=3 18 B17R2.73242 COc1ccc2[nH]cc(c2n1)SCC(=O)[O-] 62a_100020667443_100010199035 [0,0,0,0,0,0|2,0,1]=3 19 B17R2.73242 COc1ccc2[nH]cc(c2n1)SCC(C)O 62a_100011218427_100010199035 [0,0,0,0,0,0|3,0,1]=4 20 B17R2.73242 COc1ccc2[nH]cc(c2n1)SC[C@@H](C)O 62a_100009817552_100010199035 [0,0,0,0,0,0|3,0,1]=4 21 B17R2.73242 COc1ccc2[nH]nc(c2c1)SCC(=O)N 62a_100000747473_100012353730 [0,0,0,0,0,0|3,0,0]=3 22 B17R2.73242 COc1ccc2[nH]nc(c2c1)SCC(=O)[O-] 62a_100020667443_100012353730 [0,0,0,0,0,0|2,0,1]=3 23 B17R2.73242 COc1ccc2[nH]nc(c2c1)SCC(C)O 62a_100011218427_100012353730 [0,0,0,0,0,0|3,0,1]=4 24 B17R2.73242 COc1ccc2[nH]nc(c2c1)SC[C@@H](C)O 62a_100009817552_100012353730 [0,0,0,0,0,0|3,0,1]=4 25 B17R2.73242 COc1ccc2[nH]nc(c2n1)SCC(=O)N 62a_100000747473_200010246295 [0,0,0,0,0,0|4,0,0]=4 26 B17R2.73242 COc1ccc2[nH]nc(c2n1)SCC(=O)[O-] 62a_100020667443_200010246295 [0,0,0,0,0,0|3,0,1]=4 27 B17R2.73242 COc1cnc2[nH]cc(c2c1)SCC(=O)N 62a_100000747473_100010199036 [0,0,0,0,0,0|3,0,0]=3 28 B17R2.73242 COc1cnc2[nH]cc(c2c1)SCC(=O)[O-] 62a_100020667443_100010199036 [0,0,0,0,0,0|2,0,1]=3 29 B17R2.73242 COc1cnc2[nH]cc(c2c1)SCC(C)O 62a_100011218427_100010199036 [0,0,0,0,0,0|3,0,1]=4 30 B17R2.73242 COc1cnc2[nH]cc(c2c1)SC[C@@H](C)O 62a_100009817552_100010199036 [0,0,0,0,0,0|3,0,1]=4 31 B16R2.15551 CC(=O)CCc1c[nH]c2c1cc(cc2)Br 1458a_100009828173_200000210301 [1,0,0,0,0,0|2,0,0]=3 32 B16R2.15551 Cc1ccc2[nH]cc(c2n1)SCC(=O)N 62a_100000747473_100010212567 [1,0,0,0,0,0|3,0,0]=4 33 B16R2.15551 Cc1ccc2[nH]cc(c2n1)SCC(=O)[O-] 62a_100020667443_100010212567 [1,0,0,0,0,0|2,0,1]=4 34 B16R2.15551 Cc1ccc2[nH]nc(c2c1)SCC(=O)N 62a_100000747473_100000123028 [1,0,0,0,0,0|3,0,0]=4 35 B16R2.15551 Cc1ccc2[nH]nc(c2c1)SCC(=O)[O-] 62a_100020667443_100000123028 [1,0,0,0,0,0|2,0,1]=4 36 B16R2.15551 Cc1cnc2[nH]cc(c2c1)SCC(=O)N 62a_100000747473_100010246215 [1,0,0,0,0,0|3,0,0]=4 37 B16R2.15551 Cc1cnc2[nH]cc(c2c1)SCC(=O)[O-] 62a_100020667443_100010246215 [1,0,0,0,0,0|2,0,1]=4 38 B16R2.15551 [13CH3]C(=O)CCc1c[nH]c2c1cc(cc2)Br 1458a_100009828173_200025704644 [1,0,0,0,0,0|2,0,0]=3 39 B16R2.163638 C=CCSc1c[nH]c2c1cc(cn2)OC 62a_100000210623_100010199036 [1,0,0,0,0,0|3,0,0]=4 40 B16R2.163638 C=CCSc1c[nH]c2c1cc(nc2)OC 62a_100000210623_200010163580 [1,0,0,0,0,0|3,0,0]=4 41 B16R2.163638 C=CCSc1c[nH]c2c1nc(cc2)OC 62a_100000210623_100010199035 [1,0,0,0,0,0|3,0,0]=4 42 B16R2.163638 C=CCSc1n[nH]c2c1cc(cc2)OC 62a_100000210623_100012353730 [1,0,0,0,0,0|3,0,0]=4 43 B16R2.163638 C=Cc1ccc2[nH]cc(c2c1)CCCO 271570a_100011290941_100102583652 [1,0,0,0,0,0|1,0,2]=4 44 B16R2.163638 CCCCc1c[nH]c2c1cc(cn2)OC 271570a_100020621405_100010199036 [1,0,0,0,0,0|2,0,1]=4 45 B16R2.163638 CCCCc1c[nH]c2c1cc(nc2)OC 271570a_100020621405_200010163580 [1,0,0,0,0,0|2,0,1]=4 46 B16R2.163638 CCCCc1c[nH]c2c1nc(cc2)OC 271570a_100020621405_100010199035 [1,0,0,0,0,0|2,0,1]=4 47 B16R2.163638 CCCCc1n[nH]c2c1cc(cc2)OC 271570a_100020621405_100012353730 [1,0,0,0,0,0|2,0,1]=4 48 B16R2.163638 CCNCc1c[nH]c2c1cc(cc2)OC 270004a_100015525214_100000748866 [1,0,0,0,0,0|2,0,1]=4 49 B16R2.163638 CNCCc1c[nH]c2c1cc(cc2)OC 2230a_100000755253_200000210301 [1,0,0,0,0,0|2,0,0]=3 50 B16R2.163638 COCCc1c[nH]c2c1cc(cc2)OC 34a_200011933912_200000210301 [1,0,0,0,0,0|2,0,0]=3 51 B16R2.163638 COc1cc2c(c[nH]c2cn1)SCC=O 62a_200015260668_200010163580 [1,0,0,0,0,0|2,0,0]=3 52 B16R2.163638 COc1cc2c(c[nH]c2cn1)SCCO 62a_100000211926_200010163580 [1,0,0,0,0,0|2,0,1]=4 53 B16R2.163638 COc1ccc2[nH]cc(c2c1)CCN[13CH3] 2230a_100000755253_200025704644 [1,0,0,0,0,0|2,0,0]=3 54 B16R2.163638 COc1ccc2[nH]cc(c2c1)CCO[13CH3] 34a_200011933912_200025704644 [1,0,0,0,0,0|2,0,0]=3 55 B16R2.163638 COc1ccc2[nH]cc(c2n1)SCC=O 62a_200015260668_100010199035 [1,0,0,0,0,0|2,0,0]=3 56 B16R2.163638 COc1ccc2[nH]cc(c2n1)SCCO 62a_100000211926_100010199035 [1,0,0,0,0,0|2,0,1]=4 57 B16R2.163638 COc1ccc2[nH]nc(c2c1)SCC=O 62a_200015260668_100012353730 [1,0,0,0,0,0|2,0,0]=3 58 B16R2.163638 COc1ccc2[nH]nc(c2c1)SCCO 62a_100000211926_100012353730 [1,0,0,0,0,0|2,0,1]=4 59 B16R2.163638 COc1ccc2[nH]nc(c2n1)SCC=O 62a_200015260668_200010246295 [1,0,0,0,0,0|3,0,0]=4 60 B16R2.163638 COc1cnc2[nH]cc(c2c1)SCC=O 62a_200015260668_100010199036 [1,0,0,0,0,0|2,0,0]=3 61 B16R2.163638 COc1cnc2[nH]cc(c2c1)SCCO 62a_100000211926_100010199036 [1,0,0,0,0,0|2,0,1]=4 62 B16R2.163638 CSc1ccc2[nH]cc(c2c1)CCCO 62a_100102583652_200000210301 [1,0,0,0,0,0|0,1,1]=3 63 B16R2.163638 CSc1ccc2[nH]cc(c2c1)CCCO 62a_200000210301_100102583652 [1,0,0,0,0,0|0,1,1]=3 64 B16R2.163638 [13CH3]Sc1ccc2[nH]cc(c2c1)CCCO 62a_100102583652_200025704644 [1,0,0,0,0,0|0,1,1]=3 65 B16R2.163638 [13CH3]Sc1ccc2[nH]cc(c2c1)CCCO 62a_200025704644_100102583652 [1,0,0,0,0,0|0,1,1]=3 66 B18R2.120970 COc1cc2c(c[nH]c2cn1)SC(C)C(=O)C 62a_100009814033_200010163580 [0,1,0,0,0,0|3,0,0]=4 67 B18R2.120970 COc1cc2c(c[nH]c2cn1)SC(C)C(=O)N 62a_100000702099_200010163580 [0,1,0,0,0,0|3,0,0]=4 68 B18R2.120970 COc1cc2c(c[nH]c2cn1)SC(F)C(=O)N 62a_100009813875_200010163580 [0,1,0,0,0,0|3,0,0]=4 69 B18R2.120970 COc1cc2c(c[nH]c2cn1)SC(F)C(=O)[O-] 62a_100020610796_200010163580 [0,1,0,0,0,0|2,0,1]=4 70 B18R2.120970 COc1ccc2[nH]cc(c2n1)SC(C)C(=O)C 62a_100009814033_100010199035 [0,1,0,0,0,0|3,0,0]=4 71 B18R2.120970 COc1ccc2[nH]cc(c2n1)SC(C)C(=O)N 62a_100000702099_100010199035 [0,1,0,0,0,0|3,0,0]=4 72 B18R2.120970 COc1ccc2[nH]cc(c2n1)SC(F)C(=O)N 62a_100009813875_100010199035 [0,1,0,0,0,0|3,0,0]=4 73 B18R2.120970 COc1ccc2[nH]cc(c2n1)SC(F)C(=O)[O-] 62a_100020610796_100010199035 [0,1,0,0,0,0|2,0,1]=4 74 B18R2.120970 COc1ccc2[nH]nc(c2c1)SC(C)C(=O)C 62a_100009814033_100012353730 [0,1,0,0,0,0|3,0,0]=4 75 B18R2.120970 COc1ccc2[nH]nc(c2c1)SC(C)C(=O)N 62a_100000702099_100012353730 [0,1,0,0,0,0|3,0,0]=4 76 B18R2.120970 COc1ccc2[nH]nc(c2c1)SC(F)C(=O)N 62a_100009813875_100012353730 [0,1,0,0,0,0|3,0,0]=4 77 B18R2.120970 COc1ccc2[nH]nc(c2c1)SC(F)C(=O)[O-] 62a_100020610796_100012353730 [0,1,0,0,0,0|2,0,1]=4 78 B18R2.120970 COc1cnc2[nH]cc(c2c1)SC(C)C(=O)C 62a_100009814033_100010199036 [0,1,0,0,0,0|3,0,0]=4 79 B18R2.120970 COc1cnc2[nH]cc(c2c1)SC(C)C(=O)N 62a_100000702099_100010199036 [0,1,0,0,0,0|3,0,0]=4 80 B18R2.120970 COc1cnc2[nH]cc(c2c1)SC(F)C(=O)N 62a_100009813875_100010199036 [0,1,0,0,0,0|3,0,0]=4 81 B18R2.120970 COc1cnc2[nH]cc(c2c1)SC(F)C(=O)[O-] 62a_100020610796_100010199036 [0,1,0,0,0,0|2,0,1]=4 82 B18R2.120972 C=CC(=O)NCc1c[nH]c2c1cc(cc2)OC 240690a_100000084035_200121576911 [0,1,0,0,0,0|2,0,0]=3 83 B18R2.120972 C=Cc1ccc2[nH]cc(c2c1)CCC(=O)OC 271570a_100011290941_100010888593 [0,1,0,0,0,0|1,0,1]=3 84 B18R2.120972 CCC(=O)CCc1c[nH]c2c1cc(cc2)OC 1458a_100010000191_100000210202 [0,1,0,0,0,0|1,0,0]=2 85 B18R2.120972 CCC(=O)CSc1c[nH]c2c1cc(cn2)OC 62a_100000747405_100010199036 [0,1,0,0,0,0|3,0,0]=4 86 B18R2.120972 CCC(=O)CSc1c[nH]c2c1cc(nc2)OC 62a_100000747405_200010163580 [0,1,0,0,0,0|3,0,0]=4 87 B18R2.120972 CCC(=O)CSc1c[nH]c2c1nc(cc2)OC 62a_100000747405_100010199035 [0,1,0,0,0,0|3,0,0]=4 88 B18R2.120972 CCC(=O)CSc1n[nH]c2c1cc(cc2)OC 62a_100000747405_100012353730 [0,1,0,0,0,0|3,0,0]=4 89 B18R2.120972 CCC(=O)NCc1c[nH]c2c1cc(cc2)OC 11a_100000084035_100000210414 [0,1,0,0,0,0|2,0,0]=3 90 B18R2.120972 CCC(=O)NCc1c[nH]c2c1cc(cc2)OC 240690a_100000084035_100000210414 [0,1,0,0,0,0|2,0,0]=3 91 B18R2.120972 CCC(=O)NCc1c[nH]c2c1cc(cc2)OC 527a_100000084035_100000210414 [0,1,0,0,0,0|2,0,0]=3 92 B18R2.120972 CNC(=O)CCc1c[nH]c2c1cc(cc2)OC 11a_106832991635_100010000191 [0,1,0,0,0,0|1,0,0]=2 93 B18R2.120972 CNC(=O)CCc1c[nH]c2c1cc(cc2)OC 240690a_100102657272_100010000191 [0,1,0,0,0,0|1,0,0]=2 94 B18R2.120972 CNC(=O)CCc1c[nH]c2c1cc(cc2)OC 527a_100102657272_100010000191 [0,1,0,0,0,0|1,0,0]=2 95 B18R2.120972 CNC(=O)CSc1c[nH]c2c1cc(cn2)OC 62a_100000183359_100010199036 [0,1,0,0,0,0|3,0,0]=4 96 B18R2.120972 CNC(=O)CSc1c[nH]c2c1cc(nc2)OC 62a_100000183359_200010163580 [0,1,0,0,0,0|3,0,0]=4 97 B18R2.120972 CNC(=O)CSc1c[nH]c2c1nc(cc2)OC 62a_100000183359_100010199035 [0,1,0,0,0,0|3,0,0]=4 98 B18R2.120972 CNC(=O)CSc1n[nH]c2c1cc(cc2)OC 62a_100000183359_100012353730 [0,1,0,0,0,0|3,0,0]=4 99 B18R2.120972 CNC(=O)NCc1c[nH]c2c1cc(cc2)OC 2708a_100000084035_106832991635 [0,1,0,0,0,0|2,0,0]=3 100 B18R2.120972 CNC(=O)NCc1c[nH]c2c1cc(cc2)OC 2708a_100102657272_100000084035 [0,1,0,0,0,0|2,0,0]=3 101 B18R2.120972 CNC(=O)NCc1c[nH]c2c1cc(cc2)OC 273464a_100102657272_100000084035 [0,1,0,0,0,0|2,0,0]=3 102 B18R2.120972 CNC(=O)NCc1c[nH]c2c1cc(cc2)OC 512a_100000084035_100102657272 [0,1,0,0,0,0|2,0,0]=3 103 B18R2.120972 CNC(=O)NCc1c[nH]c2c1cc(cc2)OC 512a_106832991638_100000084035 [0,1,0,0,0,0|2,0,0]=3 104 B18R2.120972 COC(=O)CCc1c[nH]c2c1cc(cc2)SC 62a_200000210301_100010888593 [0,1,0,0,0,0|0,1,0]=2 105 B18R2.120972 COC(=O)CCc1c[nH]c2c1cc(cc2)S[13CH3] 62a_200025704644_100010888593 [0,1,0,0,0,0|0,1,0]=2 106 B18R2.120972 COC(=O)CSc1c[nH]c2c1cc(cn2)OC 62a_100000747449_100010199036 [0,1,0,0,0,0|2,0,0]=3 107 B18R2.120972 COC(=O)CSc1c[nH]c2c1cc(nc2)OC 62a_100000747449_200010163580 [0,1,0,0,0,0|2,0,0]=3 108 B18R2.120972 COC(=O)CSc1c[nH]c2c1nc(cc2)OC 62a_100000747449_100010199035 [0,1,0,0,0,0|2,0,0]=3 109 B18R2.120972 COC(=O)CSc1n[nH]c2c1cc(cc2)OC 62a_100000747449_100012353730 [0,1,0,0,0,0|2,0,0]=3 110 B18R2.120972 COC(=O)CSc1n[nH]c2c1nc(cc2)OC 62a_100000747449_200010246295 [0,1,0,0,0,0|3,0,0]=4 111 B18R2.120972 COc1ccc2[nH]cc(c2c1)CCC(=O)CF 1458a_100010000191_100015361967 [0,1,0,0,0,0|1,0,0]=2 112 B18R2.120972 COc1ccc2[nH]cc(c2c1)CNC(=O)CO 240690a_100000084035_100000210174 [0,1,0,0,0,0|1,0,0]=2 113 B18R2.120972 COc1ccc2[nH]cc(c2c1)CNC(=O)CO 527a_100000084035_100000210174 [0,1,0,0,0,0|1,0,0]=2 114 B18R2.120972 COc1ccc2[nH]cc(c2c1)CN[C@H](C)CO 270004a_100000737577_100000748866 [0,1,0,0,0,0|2,0,1]=4 115 B18R2.173884 COc1ccc2c(c1)C(=NNC(=O)C)C(=O)N2 4a_100000189765_100000183588 [0,1,0,0,0,0|3,0,0]=4 116 B18R2.820545 COc1ccc2c(c1)c(nn2C)SCC(=O)N 62a_100000747473_100010988832 [0,1,0,0,0,0|3,0,0]=4 117 B18R2.820545 COc1ccc2c(c1)c(nn2C)SCC(=O)[O-] 62a_100020667443_100010988832 [0,1,0,0,0,0|2,0,1]=4 118 B18R2.867030 COc1ccc2[nH]cc(c2c1)CNS(=O)(=O)C 40a_100000084035_100000738038 [0,1,0,0,0,0|2,0,1]=4 119 B16R1.2 COc1ccc(cc1)NCCCCC(=O)C 34a_100000184247_100009817362 [0,0,1,0,0,0|1,0,2]=4 120 B18R3.172984 COc1ccc2[nH]c3c(c2c1)CCN(C3)C 2230a_100015313494_200000210301 [0,0,0,1,0,0|3,0,0]=4 121 B18R3.172984 COc1ccc2[nH]c3c(c2c1)CCN(C3)C 269982a_100015313494_200000210301 [0,0,0,1,0,0|3,0,0]=4 122 B18R3.172984 COc1ccc2[nH]c3c(c2c1)CCN(C3)[13CH3] 2230a_100015313494_200025704644 [0,0,0,1,0,0|3,0,0]=4 123 B18R3.172984 COc1ccc2[nH]c3c(c2c1)CCN(C3)[13CH3] 269982a_100015313494_200025704644 [0,0,0,1,0,0|3,0,0]=4 124 B16R2.42567 C=Cc1ccc2[nH]cc(c2c1)CC(=O)N 271570a_100011290941_100009990690 [0,0,0,0,1,0|2,0,1]=4 125 B16R2.42567 CCc1ccc2[nH]cc(c2c1)CC(=O)C 1458a_100000049097_200000210301 [0,0,0,0,1,0|2,0,0]=3 126 B16R2.42567 CCc1ccc2[nH]cc(c2c1)CC(=O)[13CH3] 1458a_100000049097_200025704644 [0,0,0,0,1,0|2,0,0]=3 127 B16R2.42567 COc1ccc2[nH]cc(c2c1)CC(=O)C 1458a_100000739362_200000210301 [0,0,0,0,1,0|1,0,0]=2 128 B16R2.42567 COc1ccc2[nH]cc(c2c1)CC(=O)[13CH3] 1458a_100000739362_200025704644 [0,0,0,0,1,0|1,0,0]=2 129 B16R2.42567 COc1ccc2[nH]cc(c2c1)CN(C)C 270004a_100102631434_100000748866 [0,0,0,0,1,0|3,0,0]=4 130 B16R2.42567 CSc1ccc2[nH]cc(c2c1)CC(=O)N 62a_100009990690_200000210301 [0,0,0,0,1,0|1,1,0]=3 131 B16R2.42567 [13CH3]Sc1ccc2[nH]cc(c2c1)CC(=O)N 62a_100009990690_200025704644 [0,0,0,0,1,0|1,1,0]=3 132 B18R2.17886 COc1ccc2ccc(cc2c1)OCC(=O)N 34a_100000179802_100000187820 [0,0,0,0,0,1|3,0,0]=4 133 B18R2.17886 COc1ccc2ccc(cc2c1)OCC(=O)N 7a_100000179802_100000187820 [0,0,0,0,0,1|3,0,0]=4 134 B18R2.17886 COc1ccc2ccc(cc2c1)OCC(=O)[O-] 34a_100000179802_100020667443 [0,0,0,0,0,1|2,0,1]=4 135 B18R2.17886 COc1ccc2ccc(cc2c1)SCC(=O)N 62a_100000747473_100010090027 [0,0,0,0,0,1|3,0,0]=4 136 B18R2.17886 COc1ccc2ccc(cc2c1)SCC(=O)[O-] 62a_100020667443_100010090027 [0,0,0,0,0,1|2,0,1]=4 137 B18R2.17886 COc1ccc2ccc(nc2c1)SCC(=O)N 62a_100000747473_100009877240 [0,0,0,0,0,1|3,0,0]=4 138 B18R2.17886 COc1ccc2ccc(nc2c1)SCC(=O)[O-] 62a_100020667443_100009877240 [0,0,0,0,0,1|2,0,1]=4 139 B18R2.17886 COc1ccc2ncc(cc2c1)SCC(=O)N 62a_100000747473_100000700671 [0,0,0,0,0,1|2,0,1]=4 140 B18R2.17886 COc1ccc2ncc(cc2c1)SCC(=O)[O-] 62a_100020667443_100000700671 [0,0,0,0,0,1|1,0,2]=4 141 B18R2.17886 COc1ccc2ncc(nc2c1)SCC(=O)N 62a_100000747473_100009882714 [0,0,0,0,0,1|2,0,1]=4 142 B18R2.17886 COc1ccc2ncc(nc2c1)SCC(=O)[O-] 62a_100020667443_100009882714 [0,0,0,0,0,1|1,0,2]=4 143 B18R2.18288 COc1ccc2cccc(c2c1)NCC(=O)N 34a_100000087654_100000187820 [0,0,0,0,0,1|3,0,0]=4 144 B18R2.18288 COc1ccc2cccc(c2c1)NCC(=O)[O-] 34a_100000087654_100020667443 [0,0,0,0,0,1|2,0,1]=4 145 B18R2.18288 COc1ccc2cccc(c2c1)OCC(=O)N 34a_100000040783_100000187820 [0,0,0,0,0,1|3,0,0]=4 146 B18R2.18288 COc1ccc2cccc(c2c1)OCC(=O)N 7a_100000040783_100000187820 [0,0,0,0,0,1|3,0,0]=4 147 B18R2.18288 COc1ccc2cccc(c2c1)OCC(=O)[O-] 34a_100000040783_100020667443 [0,0,0,0,0,1|2,0,1]=4 148 B18R2.18288 COc1ccc2cccc(c2c1)SCC(=O)N 62a_100000747473_100010178974 [0,0,0,0,0,1|3,0,0]=4 149 B18R2.18288 COc1ccc2cccc(c2c1)SCC(=O)[O-] 62a_100020667443_100010178974 [0,0,0,0,0,1|2,0,1]=4 150 B18R2.18288 COc1ccc2ccnc(c2c1)SCC(=O)N 62a_100000747473_100012348807 [0,0,0,0,0,1|3,0,0]=4 151 B18R2.18288 COc1ccc2ccnc(c2c1)SCC(=O)[O-] 62a_100020667443_100012348807 [0,0,0,0,0,1|2,0,1]=4 152 B18R2.18288 COc1ccc2nccc(c2c1)OCC(=O)N 34a_100000005308_100000187820 [0,0,0,0,0,1|2,0,1]=4 153 B18R2.18288 COc1ccc2nccc(c2c1)OCC(=O)[O-] 34a_100000005308_100020667443 [0,0,0,0,0,1|1,0,2]=4 154 B18R2.18288 COc1ccc2nccc(c2c1)SCC(=O)N 62a_100000747473_100011310462 [0,0,0,0,0,1|2,0,1]=4 155 B18R2.18288 COc1ccc2nccc(c2c1)SCC(=O)[O-] 62a_100020667443_100011310462 [0,0,0,0,0,1|1,0,2]=4 156 B18R2.18288 COc1ccc2ncnc(c2c1)SCC(=O)N 62a_100000747473_100011804145 [0,0,0,0,0,1|2,0,1]=4 157 B18R2.18288 COc1ccc2ncnc(c2c1)SCC(=O)[O-] 62a_100020667443_100011804145 [0,0,0,0,0,1|1,0,2]=4 158 B18R2.120971 C=C(C)CCSc1c[nH]c2c1cc(cn2)OC 62a_100000730704_100010199036 [0,0,0,0,0,1|3,0,0]=4 159 B18R2.120971 C=C(C)CCSc1c[nH]c2c1cc(nc2)OC 62a_100000730704_200010163580 [0,0,0,0,0,1|3,0,0]=4 160 B18R2.120971 C=C(C)CCSc1c[nH]c2c1nc(cc2)OC 62a_100000730704_100010199035 [0,0,0,0,0,1|3,0,0]=4 161 B18R2.120971 C=C(C)CCSc1n[nH]c2c1cc(cc2)OC 62a_100000730704_100012353730 [0,0,0,0,0,1|3,0,0]=4 162 B18R2.120971 CC(=O)NCCc1c[nH]c2c1cc(cc2)O[13CH3] 34a_100000038029_200025704644 [0,0,0,0,0,1|1,0,0]=2 163 B18R2.120971 CC(=O)NCCc1c[nH]c2c1cc(cc2)O[13CH3] 7a_100000038029_200025704644 [0,0,0,0,0,1|1,0,0]=2 164 B18R2.120971 COc1cc2c(c[nH]c2cn1)SCCC(=O)C 62a_100000053229_200010163580 [0,0,0,0,0,1|2,0,0]=3 165 B18R2.120971 COc1cc2c(c[nH]c2cn1)SCCC(=O)N 62a_100000744528_200010163580 [0,0,0,0,0,1|2,0,0]=3 166 B18R2.120971 COc1cc2c(c[nH]c2cn1)SCCC(C)O 62a_100012276601_200010163580 [0,0,0,0,0,1|2,0,1]=4 167 B18R2.120971 COc1cc2c(c[nH]c2cn1)SCOC(=O)C 62a_100000076356_200010163580 [0,0,0,0,0,1|3,0,0]=4 168 B18R2.120971 COc1ccc2[nH]cc(c2c1)C=NNC(=O)C 4a_100000189765_100000748866 [0,0,0,0,0,1|2,0,1]=4 169 B18R2.120971 COc1ccc2[nH]cc(c2c1)CCNC(=O)C 240690a_100000755253_100015343762 [0,0,0,0,0,1|1,0,0]=2 170 B18R2.120971 COc1ccc2[nH]cc(c2c1)CCNC(=O)C 34a_100000038029_200000210301 [0,0,0,0,0,1|1,0,0]=2 171 B18R2.120971 COc1ccc2[nH]cc(c2c1)CCNC(=O)C 527a_100000755253_100103153847 [0,0,0,0,0,1|1,0,0]=2 172 B18R2.120971 COc1ccc2[nH]cc(c2c1)CCNC(=O)C 7a_100000038029_200000210301 [0,0,0,0,0,1|1,0,0]=2 173 B18R2.120971 COc1ccc2[nH]cc(c2c1)CCNC(C)C 2230a_100000755253_100000210206 [0,0,0,0,0,1|2,0,1]=4 174 B18R2.120971 COc1ccc2[nH]cc(c2c1)CCOC(C)C 34a_200011933912_100000210206 [0,0,0,0,0,1|2,0,1]=4 175 B18R2.120971 COc1ccc2[nH]cc(c2c1)CNCC(C)C 270004a_100000084035_100000210432 [0,0,0,0,0,1|2,0,1]=4 176 B18R2.120971 COc1ccc2[nH]cc(c2c1)CNCC(C)C 270004a_100000210953_100000748866 [0,0,0,0,0,1|2,0,1]=4 177 B18R2.120971 COc1ccc2[nH]cc(c2c1)CNCC(C)O 270004a_100000210904_100000748866 [0,0,0,0,0,1|1,0,1]=3 178 B18R2.120971 COc1ccc2[nH]cc(c2c1)CNCC(F)F 270004a_100000765723_100000748866 [0,0,0,0,0,1|2,0,1]=4 179 B18R2.120971 COc1ccc2[nH]cc(c2n1)SCCC(=O)C 62a_100000053229_100010199035 [0,0,0,0,0,1|2,0,0]=3 180 B18R2.120971 COc1ccc2[nH]cc(c2n1)SCCC(=O)N 62a_100000744528_100010199035 [0,0,0,0,0,1|2,0,0]=3 181 B18R2.120971 COc1ccc2[nH]cc(c2n1)SCCC(C)O 62a_100012276601_100010199035 [0,0,0,0,0,1|2,0,1]=4 182 B18R2.120971 COc1ccc2[nH]cc(c2n1)SCOC(=O)C 62a_100000076356_100010199035 [0,0,0,0,0,1|3,0,0]=4 183 B18R2.120971 COc1ccc2[nH]nc(c2c1)CNCC(C)O 207a_100000210904_100000084273 [0,0,0,0,0,1|2,0,1]=4 184 B18R2.120971 COc1ccc2[nH]nc(c2c1)CNCC(C)O 270004a_100000210904_100000084273 [0,0,0,0,0,1|2,0,1]=4 185 B18R2.120971 COc1ccc2[nH]nc(c2c1)SCCC(=O)C 62a_100000053229_100012353730 [0,0,0,0,0,1|2,0,0]=3 186 B18R2.120971 COc1ccc2[nH]nc(c2c1)SCCC(=O)N 62a_100000744528_100012353730 [0,0,0,0,0,1|2,0,0]=3 187 B18R2.120971 COc1ccc2[nH]nc(c2c1)SCCC(C)O 62a_100012276601_100012353730 [0,0,0,0,0,1|2,0,1]=4 188 B18R2.120971 COc1ccc2[nH]nc(c2c1)SCOC(=O)C 62a_100000076356_100012353730 [0,0,0,0,0,1|3,0,0]=4 189 B18R2.120971 COc1ccc2[nH]nc(c2n1)SCCC(=O)C 62a_100000053229_200010246295 [0,0,0,0,0,1|3,0,0]=4 190 B18R2.120971 COc1ccc2[nH]nc(c2n1)SCCC(=O)N 62a_100000744528_200010246295 [0,0,0,0,0,1|3,0,0]=4 191 B18R2.120971 COc1cnc2[nH]cc(c2c1)SCCC(=O)C 62a_100000053229_100010199036 [0,0,0,0,0,1|2,0,0]=3 192 B18R2.120971 COc1cnc2[nH]cc(c2c1)SCCC(=O)N 62a_100000744528_100010199036 [0,0,0,0,0,1|2,0,0]=3 193 B18R2.120971 COc1cnc2[nH]cc(c2c1)SCCC(C)O 62a_100012276601_100010199036 [0,0,0,0,0,1|2,0,1]=4 194 B18R2.120971 COc1cnc2[nH]cc(c2c1)SCOC(=O)C 62a_100000076356_100010199036 [0,0,0,0,0,1|3,0,0]=4 195 B15R1.1178 C=CCCC=NNc1ccc(cc1)OC 4a_100000005221_100011216789 [1,0,1,0,0,0|2,0,0]=4 196 B15R1.1925 COc1ccc(c(c1)OCCC(=O)C)N 7a_100016989039_100000053229 [1,0,1,0,0,0|2,0,0]=4 197 B15R1.1925 COc1ccc(c(c1)OCCC(=O)N)N 34a_100016989039_100000731001 [1,0,1,0,0,0|2,0,0]=4 198 B15R1.1925 COc1ccc(c(c1)OCCC(=O)N)N 7a_100016989039_100000744528 [1,0,1,0,0,0|2,0,0]=4 199 B15R1.1925 COc1ccc(c(c1)SCCC(=O)C)N 62a_100000053229_100015195136 [1,0,1,0,0,0|2,0,0]=4 200 B15R1.1925 COc1ccc(c(c1)SCCC(=O)C)N 62a_100015195136_100000053229 [1,0,1,0,0,0|2,0,0]=4 201 B15R1.1925 COc1ccc(c(c1)SCCC(=O)N)N 62a_100000744528_100015195136 [1,0,1,0,0,0|2,0,0]=4 202 B15R1.1925 COc1ccc(c(c1)SCCC(=O)N)N 62a_100015195136_100000744528 [1,0,1,0,0,0|2,0,0]=4 203 B15R2.6 CC(=O)CCc1c[nH]c2c1cccc2 1458a_100000070787_100011218569 [2,0,0,0,0,0|1,0,0]=3 204 B15R2.6 CC(=O)CCc1c[nH]c2c1cccc2 1458a_100000211458_200000210301 [2,0,0,0,0,0|1,0,0]=3 205 B15R2.6 CC(=O)CCc1c[nH]c2c1cccn2 1458a_100000070787_100009895007 [2,0,0,0,0,0|2,0,0]=4 206 B15R2.6 CC(=O)CCc1c[nH]c2c1cccn2 1458a_100102525369_200000210301 [2,0,0,0,0,0|2,0,0]=4 207 B15R2.6 CC(=O)NCc1c[nH]c2c1cccc2 240690a_100015202335_100015343762 [2,0,0,0,0,0|2,0,0]=4 208 B15R2.6 CC(=O)NCc1c[nH]c2c1cccc2 527a_100015202335_100103153847 [2,0,0,0,0,0|2,0,0]=4 209 B15R2.6 [13CH3]C(=O)CCc1c[nH]c2c1cccc2 1458a_100000211458_200025704644 [2,0,0,0,0,0|1,0,0]=3 210 B15R2.6 [13CH3]C(=O)CCc1c[nH]c2c1cccn2 1458a_100102525369_200025704644 [2,0,0,0,0,0|2,0,0]=4 211 B15R2.17719 CNCCc1c[nH]c2c1cc(cc2)C 2230a_100000008874_200000210301 [2,0,0,0,0,0|2,0,0]=4 212 B15R2.17719 Cc1ccc2[nH]cc(c2c1)CCN[13CH3] 2230a_100000008874_200025704644 [2,0,0,0,0,0|2,0,0]=4 213 B15R2.17719 Cc1ccc2[nH]cc(c2n1)SCC=O 62a_200015260668_100010212567 [2,0,0,0,0,0|2,0,0]=4 214 B15R2.17719 Cc1ccc2[nH]nc(c2c1)SCC=O 62a_200015260668_100000123028 [2,0,0,0,0,0|2,0,0]=4 215 B15R2.17719 Cc1cnc2[nH]cc(c2c1)SCC=O 62a_200015260668_100010246215 [2,0,0,0,0,0|2,0,0]=4 216 B15R2.17719 OCCCc1c[nH]c2c1cc(cc2)O 271570a_203496583355_100102583652 [2,0,0,0,0,0|0,0,1]=3 217 B15R2.54412 C=Cc1ccc2[nH]cc(c2c1)CCO 271570a_100011290941_100011933977 [2,0,0,0,0,0|1,0,1]=4 218 B15R2.54412 CNCc1c[nH]c2c1cc(cc2)OC 270004a_106832991635_100000748866 [2,0,0,0,0,0|1,0,1]=4 219 B15R2.54412 COc1ccc2[nH]cc(c2c1)CCO 34a_100000074132_200000210301 [2,0,0,0,0,0|0,0,0]=2 220 B15R2.54412 CSc1ccc2[nH]cc(c2c1)CCN 62a_200000210301_100016990496 [2,0,0,0,0,0|1,1,0]=4 221 B15R2.54412 CSc1ccc2[nH]cc(c2c1)CCO 62a_200000210301_100011933977 [2,0,0,0,0,0|0,1,0]=3 222 B15R2.54412 [13CH3]Oc1ccc2[nH]cc(c2c1)CCO 34a_100000074132_200025704644 [2,0,0,0,0,0|0,0,0]=2 223 B15R2.54412 [13CH3]Sc1ccc2[nH]cc(c2c1)CCN 62a_200025704644_100016990496 [2,0,0,0,0,0|1,1,0]=4 224 B15R2.54412 [13CH3]Sc1ccc2[nH]cc(c2c1)CCO 62a_200025704644_100011933977 [2,0,0,0,0,0|0,1,0]=3 225 B17R1.191 CCc1ccc(cc1)NN=CCCC(=O)OC 4a_100015204395_100012047195 [0,1,1,0,0,0|2,0,0]=4 226 B17R1.191 COC(=O)CCC=NNc1ccc(cc1)OC 4a_100000005221_100012047195 [0,1,1,0,0,0|1,0,0]=3 227 B17R1.191 COC(=O)CCC=NNc1ccc(cc1)SC 4a_100000006515_100012047195 [0,1,1,0,0,0|1,1,0]=4 228 B17R1.191 COC(=O)CCC=NNc1ccc(nc1)OC 4a_100102564821_100012047195 [0,1,1,0,0,0|2,0,0]=4 229 B17R1.191 COC(=O)CCCCNc1ccc(cc1)OC 34a_100000184247_100000204269 [0,1,1,0,0,0|0,0,2]=4 230 B17R1.192 COc1ccc(cc1)NNC(=O)CCC(=O)N 22a_100000005221_100011215257 [0,1,1,0,0,0|2,0,0]=4 231 B17R1.196 COc1ccc(cc1)NC(=O)CCCC(=O)C 1458a_100000070787_200011194844 [0,1,1,0,0,0|1,0,1]=4 232 B17R1.196 COc1ccc(cc1)NC(=O)CNCC(=O)O 269956a_100016091260_100000182860 [0,1,1,0,0,0|1,0,1]=4 233 B17R1.196 COc1ccc(cc1)NC(=O)NCCC(=O)C 1458a_100000070787_100000163356 [0,1,1,0,0,0|2,0,0]=4 234 B17R1.196 COc1ccc(cc1)NC(=O)NCCC(=O)C 1458a_100000285401_200000210301 [0,1,1,0,0,0|2,0,0]=4 235 B17R1.196 COc1ccc(cc1)NC(=O)NCCC(=O)N 2430a_100000184247_100000740010 [0,1,1,0,0,0|2,0,0]=4 236 B17R1.196 COc1ccc(cc1)NC(=O)NCCC(=O)[13CH3] 1458a_100000285401_200025704644 [0,1,1,0,0,0|2,0,0]=4 237 B17R2.376007 CCC(=O)CCc1c[nH]c2c1cc(cc2)Br 1458a_100009828173_100000210202 [1,1,0,0,0,0|2,0,0]=4 238 B17R2.376007 CNC(=O)CCc1c[nH]c2c1cc(cc2)Br 11a_106832991635_100009828173 [1,1,0,0,0,0|2,0,0]=4 239 B17R2.376007 CNC(=O)CCc1c[nH]c2c1cc(cc2)Br 240690a_100102657272_100009828173 [1,1,0,0,0,0|2,0,0]=4 240 B17R2.376007 CNC(=O)CCc1c[nH]c2c1cc(cc2)Br 527a_100102657272_100009828173 [1,1,0,0,0,0|2,0,0]=4 241 B17R2.376007 COC(=O)CCc1c[nH]c2c1cc(cc2)O 271570a_203496583355_100010888593 [1,1,0,0,0,0|0,0,0]=2 242 B17R2.376007 COC(=O)CSc1c[nH]c2c1cc(cn2)C 62a_100000747449_100010246215 [1,1,0,0,0,0|2,0,0]=4 243 B17R2.376007 COC(=O)CSc1c[nH]c2c1nc(cc2)C 62a_100000747449_100010212567 [1,1,0,0,0,0|2,0,0]=4 244 B17R2.376007 COC(=O)CSc1n[nH]c2c1cc(cc2)C 62a_100000747449_100000123028 [1,1,0,0,0,0|2,0,0]=4 245 B17R2.376007 O=C(CF)CCc1c[nH]c2c1cc(cc2)Br 1458a_100009828173_100015361967 [1,1,0,0,0,0|2,0,0]=4 246 B17R2.333140 C=C(C)c1ccc2[nH]cc(c2c1)CCCO 271570a_100000694244_100102583652 [1,1,0,0,0,0|1,0,1]=4 247 B17R2.333142 CC=Cc1ccc2[nH]cc(c2c1)CCCO 271570a_100016259895_100102583652 [1,1,0,0,0,0|1,0,1]=4 248 B17R2.333142 CCSc1ccc2[nH]cc(c2c1)CCCO 62a_100000210202_100102583652 [1,1,0,0,0,0|0,1,1]=4 249 B17R2.333142 CCSc1ccc2[nH]cc(c2c1)CCCO 62a_100102583652_100000210202 [1,1,0,0,0,0|0,1,1]=4 250 B17R2.333142 OCCCc1c[nH]c2c1cc(cc2)SCF 62a_100015361967_100102583652 [1,1,0,0,0,0|0,1,1]=4 251 B17R2.333142 OCCCc1c[nH]c2c1cc(cc2)SCF 62a_100102583652_100015361967 [1,1,0,0,0,0|0,1,1]=4 252 B17R2.339431 COc1ccc2c(c1)c(nn2C)SCC=O 62a_200015260668_100010988832 [1,1,0,0,0,0|2,0,0]=4 253 B17R2.1231010 C=CCCSc1c[nH]c2c1cc(cn2)OC 62a_100000754431_100010199036 [1,1,0,0,0,0|2,0,0]=4 254 B17R2.1231010 C=CCCSc1c[nH]c2c1cc(nc2)OC 62a_100000754431_200010163580 [1,1,0,0,0,0|2,0,0]=4 255 B17R2.1231010 C=CCCSc1c[nH]c2c1nc(cc2)OC 62a_100000754431_100010199035 [1,1,0,0,0,0|2,0,0]=4 256 B17R2.1231010 C=CCCSc1n[nH]c2c1cc(cc2)OC 62a_100000754431_100012353730 [1,1,0,0,0,0|2,0,0]=4 257 B17R2.1231010 C=CCNCc1c[nH]c2c1cc(cc2)OC 270004a_100020586998_100000748866 [1,1,0,0,0,0|1,0,0]=3 258 B17R2.1231010 C=CCNCc1n[nH]c2c1cc(cc2)OC 270004a_100020586998_100000084273 [1,1,0,0,0,0|2,0,0]=4 259 B17R2.1231010 CCCNCc1c[nH]c2c1cc(cc2)OC 270004a_100020643023_100000748866 [1,1,0,0,0,0|1,0,1]=4 260 B17R2.1231010 CCNCCc1c[nH]c2c1cc(cc2)OC 2230a_100000755253_100000210202 [1,1,0,0,0,0|1,0,1]=4 261 B17R2.1231010 CCOCCc1c[nH]c2c1cc(cc2)OC 34a_200011933912_100000210202 [1,1,0,0,0,0|1,0,1]=4 262 B17R2.1231010 COc1cc2c(c[nH]c2cn1)SCCCO 62a_100011215043_200010163580 [1,1,0,0,0,0|1,0,1]=4 263 B17R2.1231010 COc1ccc2[nH]cc(c2c1)CCOCF 34a_200011933912_100015361967 [1,1,0,0,0,0|1,0,1]=4 264 B17R2.1231010 COc1ccc2[nH]cc(c2c1)CNCCO 270004a_100000210304_100000748866 [1,1,0,0,0,0|0,0,1]=3 265 B17R2.1231010 COc1ccc2[nH]cc(c2n1)SCCCO 62a_100011215043_100010199035 [1,1,0,0,0,0|1,0,1]=4 266 B17R2.1231010 COc1ccc2[nH]nc(c2c1)CNCCO 207a_100000210304_100000084273 [1,1,0,0,0,0|1,0,1]=4 267 B17R2.1231010 COc1ccc2[nH]nc(c2c1)CNCCO 270004a_100000210304_100000084273 [1,1,0,0,0,0|1,0,1]=4 268 B17R2.1231010 COc1ccc2[nH]nc(c2c1)SCCCO 62a_100011215043_100012353730 [1,1,0,0,0,0|1,0,1]=4 269 B17R2.1231010 COc1cnc2[nH]cc(c2c1)SCCCO 62a_100011215043_100010199036 [1,1,0,0,0,0|1,0,1]=4 270 B17R2.11798 COc1ccc2[nH]c(c(c2c1)CC(=O)C)C 1458a_100000032111_200000210301 [0,1,0,0,1,0|1,0,0]=3 271 B17R2.11798 COc1ccc2[nH]c(c(c2c1)CC(=O)[13CH3])C 1458a_100000032111_200025704644 [0,1,0,0,1,0|1,0,0]=3 272 B17R2.11798 COc1ccc2c(c1)C(=C(C2)C)CC(=O)C 1458a_100010423569_200000210301 [0,1,0,0,1,0|2,0,0]=4 273 B17R2.11798 COc1ccc2c(c1)C(=C(C2)C)CC(=O)[13CH3] 1458a_100010423569_200025704644 [0,1,0,0,1,0|2,0,0]=4 274 B17R2.27792 CC=Cc1ccc2[nH]cc(c2c1)CC(=O)N 271570a_100016259895_100009990690 [0,1,0,0,1,0|2,0,0]=4 275 B17R2.27792 CCSc1ccc2[nH]cc(c2c1)CC(=O)N 62a_100009990690_100000210202 [0,1,0,0,1,0|1,1,0]=4 276 B17R2.27792 NC(=O)Cc1c[nH]c2c1cc(cc2)SCF 62a_100009990690_100015361967 [0,1,0,0,1,0|1,1,0]=4 277 B17R2.1146278 C=C(C)c1ccc2[nH]cc(c2c1)CC(=O)N 271570a_100000694244_100009990690 [0,1,0,0,1,0|2,0,0]=4 278 B19R2.26603 COC(=O)COc1ccc2ccc(cc2c1)OC 34a_100000179802_100000747449 [0,1,0,0,0,1|2,0,0]=4 279 B19R2.26603 COC(=O)COc1ccc2ccc(cc2c1)OC 7a_100000179802_100000747449 [0,1,0,0,0,1|2,0,0]=4 280 B19R2.26603 COC(=O)CSc1ccc2ccc(cc2c1)OC 62a_100000747449_100010090027 [0,1,0,0,0,1|2,0,0]=4 281 B19R2.26603 COC(=O)CSc1ccc2ccc(cc2n1)OC 62a_100000747449_100009877240 [0,1,0,0,0,1|2,0,0]=4 282 B19R2.26603 COC(=O)CSc1cnc2ccc(cc2c1)OC 62a_100000747449_100000700671 [0,1,0,0,0,1|1,0,1]=4 283 B19R2.26603 COC(=O)CSc1cnc2ccc(cc2n1)OC 62a_100000747449_100009882714 [0,1,0,0,0,1|1,0,1]=4 284 B19R2.27144 COC(=O)CNc1cccc2c1cc(cc2)OC 34a_100000087654_100000747449 [0,1,0,0,0,1|2,0,0]=4 285 B19R2.27144 COC(=O)COc1cccc2c1cc(cc2)OC 34a_100000040783_100000747449 [0,1,0,0,0,1|2,0,0]=4 286 B19R2.27144 COC(=O)COc1cccc2c1cc(cc2)OC 7a_100000040783_100000747449 [0,1,0,0,0,1|2,0,0]=4 287 B19R2.27144 COC(=O)COc1ccnc2c1cc(cc2)OC 34a_100000005308_100000747449 [0,1,0,0,0,1|1,0,1]=4 288 B19R2.27144 COC(=O)CSc1cccc2c1cc(cc2)OC 62a_100000747449_100010178974 [0,1,0,0,0,1|2,0,0]=4 289 B19R2.27144 COC(=O)CSc1ccnc2c1cc(cc2)OC 62a_100000747449_100011310462 [0,1,0,0,0,1|1,0,1]=4 290 B19R2.27144 COC(=O)CSc1nccc2c1cc(cc2)OC 62a_100000747449_100012348807 [0,1,0,0,0,1|2,0,0]=4 291 B19R2.27144 COC(=O)CSc1ncnc2c1cc(cc2)OC 62a_100000747449_100011804145 [0,1,0,0,0,1|1,0,1]=4 292 B19R2.68648 CC(=O)NCCc1c[nH]c2c1cc(cc2)OCF 34a_100000038029_100015361967 [0,1,0,0,0,1|1,0,0]=3 293 B19R2.68648 CC(=O)NCCc1c[nH]c2c1cc(cc2)OCF 7a_100000038029_100015361967 [0,1,0,0,0,1|1,0,0]=3 294 B19R2.68648 CCOc1ccc2[nH]cc(c2c1)CCNC(=O)C 34a_100000038029_100000210202 [0,1,0,0,0,1|1,0,0]=3 295 B19R2.68648 CCOc1ccc2[nH]cc(c2c1)CCNC(=O)C 7a_100000038029_100000210202 [0,1,0,0,0,1|1,0,0]=3 296 B19R2.68648 CCOc1ccc2[nH]cc(c2c1)CNCC(C)O 270004a_100000210904_100102524904 [0,1,0,0,0,1|1,0,1]=4 297 B19R2.195242 COc1ccc2[nH]cc(c2c1)CCNS(=O)(=O)C 40a_100000755253_100000738038 [0,1,0,0,0,1|1,0,1]=4 298 B19R2.195242 COc1ccc2[nH]cc(c2c1)CNCC(C)(C)O 270004a_100000751335_100000748866 [0,1,0,0,0,1|1,0,1]=4 299 B19R2.1547536 C=C(C)COCc1cn(c2c1cc(cc2)OC)C 34a_100000077082_100000748629 [0,1,0,0,0,1|2,0,0]=4 300 B19R2.1547536 C=C(F)COCc1cn(c2c1cc(cc2)OC)C 34a_100000077082_100009893438 [0,1,0,0,0,1|2,0,0]=4 301 B19R2.1547536 COc1ccc2c(c1)c(cn2C)COCC(=O)N 34a_100000077082_100000187820 [0,1,0,0,0,1|1,0,0]=3 302 B19R2.1547536 COc1ccc2c(c1)c(cn2C)COCC(=O)[O-] 34a_100000077082_100020667443 [0,1,0,0,0,1|0,0,1]=3 303 B19R2.1547536 COc1ccc2c(c1)c(cn2C)COCC(C)O 34a_100000077082_100011218427 [0,1,0,0,0,1|1,0,1]=4 304 B19R2.1547536 COc1ccc2c(c1)c(cn2C)COC[C@@H](C)O 34a_100000077082_100009817552 [0,1,0,0,0,1|1,0,1]=4 305 B19R2.1547536 COc1ccc2c(c1)c(cn2C)COC[N+](=O)[O-] 34a_100000077082_100000761209 [0,1,0,0,0,1|1,0,1]=4 306 B19R2.1547536 COc1ccc2c(c1)c(nn2C)SCCC(=O)C 62a_100000053229_100010988832 [0,1,0,0,0,1|2,0,0]=4 307 B19R2.1547536 COc1ccc2c(c1)c(nn2C)SCCC(=O)N 62a_100000744528_100010988832 [0,1,0,0,0,1|2,0,0]=4 308 B19R2.1645485 C=CC(=O)NCCc1c[nH]c2c1cc(cc2)OC 240690a_100000755253_200121576911 [0,1,0,0,0,1|1,0,0]=3 309 B19R2.1645485 CCC(=O)NCCc1c[nH]c2c1cc(cc2)OC 240690a_100000755253_100000210414 [0,1,0,0,0,1|1,0,0]=3 310 B19R2.1645485 CCC(=O)NCCc1c[nH]c2c1cc(cc2)OC 527a_100000755253_100000210414 [0,1,0,0,0,1|1,0,0]=3 311 B19R2.1645485 CCC(O)CNCc1c[nH]c2c1cc(cc2)OC 270004a_100011218483_100000748866 [0,1,0,0,0,1|1,0,1]=4 312 B19R2.1645485 CNC(=O)CCSc1c[nH]c2c1cc(cn2)OC 62a_100000737683_100010199036 [0,1,0,0,0,1|2,0,0]=4 313 B19R2.1645485 CNC(=O)CCSc1c[nH]c2c1cc(nc2)OC 62a_100000737683_200010163580 [0,1,0,0,0,1|2,0,0]=4 314 B19R2.1645485 CNC(=O)CCSc1c[nH]c2c1nc(cc2)OC 62a_100000737683_100010199035 [0,1,0,0,0,1|2,0,0]=4 315 B19R2.1645485 CNC(=O)CCSc1n[nH]c2c1cc(cc2)OC 62a_100000737683_100012353730 [0,1,0,0,0,1|2,0,0]=4 316 B19R2.1645485 CNC(=O)CNCc1c[nH]c2c1cc(cc2)OC 270004a_100000693194_100000748866 [0,1,0,0,0,1|1,0,0]=3 317 B19R2.1645485 CNC(=O)CNCc1n[nH]c2c1cc(cc2)OC 207a_100000693194_100000084273 [0,1,0,0,0,1|2,0,0]=4 318 B19R2.1645485 CNC(=O)CNCc1n[nH]c2c1cc(cc2)OC 270004a_100000693194_100000084273 [0,1,0,0,0,1|2,0,0]=4 319 B19R2.1645485 CNC(=O)NCCc1c[nH]c2c1cc(cc2)OC 2708a_100000755253_106832991635 [0,1,0,0,0,1|1,0,0]=3 320 B19R2.1645485 CNC(=O)NCCc1c[nH]c2c1cc(cc2)OC 2708a_100102657272_100000755253 [0,1,0,0,0,1|1,0,0]=3 321 B19R2.1645485 CNC(=O)NCCc1c[nH]c2c1cc(cc2)OC 273464a_100102657272_100000755253 [0,1,0,0,0,1|1,0,0]=3 322 B19R2.1645485 CNC(=O)NCCc1c[nH]c2c1cc(cc2)OC 512a_100000755253_100102657272 [0,1,0,0,0,1|1,0,0]=3 323 B19R2.1645485 CNC(=O)NCCc1c[nH]c2c1cc(cc2)OC 512a_106832991638_100000755253 [0,1,0,0,0,1|1,0,0]=3 324 B19R2.1645485 COC(=O)CCSc1c[nH]c2c1cc(cn2)OC 62a_100000204255_100010199036 [0,1,0,0,0,1|1,0,0]=3 325 B19R2.1645485 COC(=O)CCSc1c[nH]c2c1cc(nc2)OC 62a_100000204255_200010163580 [0,1,0,0,0,1|1,0,0]=3 326 B19R2.1645485 COC(=O)CCSc1c[nH]c2c1nc(cc2)OC 62a_100000204255_100010199035 [0,1,0,0,0,1|1,0,0]=3 327 B19R2.1645485 COC(=O)CCSc1n[nH]c2c1cc(cc2)OC 62a_100000204255_100012353730 [0,1,0,0,0,1|1,0,0]=3 328 B19R2.1645485 COC(=O)CCSc1n[nH]c2c1nc(cc2)OC 62a_100000204255_200010246295 [0,1,0,0,0,1|2,0,0]=4 329 B19R2.1645485 COc1ccc2[nH]cc(c2c1)CCNC(=O)CO 240690a_100000755253_100000210174 [0,1,0,0,0,1|0,0,0]=2 330 B19R2.1645485 COc1ccc2[nH]cc(c2c1)CCNC(=O)CO 527a_100000755253_100000210174 [0,1,0,0,0,1|0,0,0]=2 331 B19R2.1645485 COc1ccc2[nH]cc(c2c1)CCNC(C)CO 2230a_100000755253_100012180447 [0,1,0,0,0,1|1,0,1]=4 332 B19R2.1645485 COc1ccc2[nH]cc(c2c1)CCOC(C)CO 34a_200011933912_100012180447 [0,1,0,0,0,1|1,0,1]=4 333 B19R2.1645485 COc1ccc2[nH]cc(c2c1)CNC[C@@H](C)OC 270004a_100020591295_100000748866 [0,1,0,0,0,1|1,0,1]=4 334 B19R2.1645485 COc1ccc2[nH]cc(c2c1)CNC[C@@H](F)CO 270004a_100015665980_100000748866 [0,1,0,0,0,1|1,0,1]=4 335 B19R2.1645486 COc1ccc2[nH]cc(c2c1)CNC(=O)C(=O)N 240690a_100000084035_100011215815 [0,1,0,0,0,1|1,0,1]=4 336 B19R2.1645486 COc1ccc2[nH]cc(c2c1)CN[C@H](C)C(=O)N 270004a_100000119354_100000748866 [0,1,0,0,0,1|1,0,0]=3 337 B19R2.1645486 COc1ccc2[nH]nc(c2c1)CN[C@H](C)C(=O)N 270004a_100000119354_100000084273 [0,1,0,0,0,1|2,0,0]=4 338 B19R2.1645535 C=C(C)CC(=O)Cc1c[nH]c2c1cc(cc2)OC 1458a_100000739362_100000748629 [0,1,0,0,0,1|2,0,0]=4 339 B19R2.1645535 C=C(C)CN(C)Cc1c[nH]c2c1cc(cc2)OC 270004a_100000225649_100000748866 [0,1,0,0,0,1|2,0,0]=4 340 B19R2.1645535 C=C(F)CC(=O)Cc1c[nH]c2c1cc(cc2)OC 1458a_100000739362_100009893438 [0,1,0,0,0,1|2,0,0]=4 341 B19R2.1645535 CCc1ccc2[nH]cc(c2c1)CC(=O)CC(=O)N 1458a_100000049097_100000187820 [0,1,0,0,0,1|2,0,0]=4 342 B19R2.1645535 CCc1ccc2[nH]cc(c2c1)CC(=O)CC(=O)[O-] 1458a_100000049097_100020667443 [0,1,0,0,0,1|1,0,1]=4 343 B19R2.1645535 COc1ccc2[nH]cc(c2c1)CC(=O)CC(=O)N 1458a_100000739362_100000187820 [0,1,0,0,0,1|1,0,0]=3 344 B19R2.1645535 COc1ccc2[nH]cc(c2c1)CC(=O)CC(=O)[O-] 1458a_100000739362_100020667443 [0,1,0,0,0,1|0,0,1]=3 345 B19R2.1645535 COc1ccc2[nH]cc(c2c1)CC(=O)CC(C)O 1458a_100000739362_100011218427 [0,1,0,0,0,1|1,0,1]=4 346 B19R2.1645535 COc1ccc2[nH]cc(c2c1)CC(=O)C[N+](=O)[O-] 1458a_100000739362_100000761209 [0,1,0,0,0,1|1,0,1]=4 347 B19R2.1645535 COc1ccc2[nH]cc(c2c1)CN(C)CC(=O)N 270004a_100000739694_100000748866 [0,1,0,0,0,1|1,0,0]=3 348 B19R2.1645535 COc1ccc2[nH]cc(c2c1)CN(C)CC(C)O 270004a_100000227577_100000748866 [0,1,0,0,0,1|1,0,1]=4 349 B19R2.1645535 COc1ccc2[nH]nc(c2c1)CN(C)CC(=O)N 270004a_100000739694_100000084273 [0,1,0,0,0,1|2,0,0]=4 350 B19R2.68649 C=C=Cc1ccc2[nH]cc(c2c1)CCC(=O)OC 271570a_100015277604_100010888593 [0,2,0,0,0,0|1,0,1]=4 351 B19R2.68649 CC=Cc1ccc2[nH]cc(c2c1)CCC(=O)OC 271570a_100016259895_100010888593 [0,2,0,0,0,0|1,0,0]=3 352 B19R2.68649 CCSc1ccc2[nH]cc(c2c1)CCC(=O)OC 62a_100000210202_100010888593 [0,2,0,0,0,0|0,1,0]=3 353 B19R2.68649 COC(=O)CCc1c[nH]c2c1cc(cc2)SCF 62a_100015361967_100010888593 [0,2,0,0,0,0|0,1,0]=3 354 B19R2.1300398 COC(=O)c1ccc2[nH]cc(c2c1)SCC(=O)N 62a_100000747473_100010163954 [0,2,0,0,0,0|2,0,0]=4 355 B19R2.1300398 COC(=O)c1ccc2[nH]cc(c2c1)SCC(=O)[O-] 62a_100020667443_100010163954 [0,2,0,0,0,0|1,0,1]=4 356 B19R2.195244 COC(=O)C(C)Sc1c[nH]c2c1cc(cn2)OC 62a_100000211248_100010199036 [0,2,0,0,0,0|2,0,0]=4 357 B19R2.195244 COC(=O)C(C)Sc1c[nH]c2c1cc(nc2)OC 62a_100000211248_200010163580 [0,2,0,0,0,0|2,0,0]=4 358 B19R2.195244 COC(=O)C(C)Sc1c[nH]c2c1nc(cc2)OC 62a_100000211248_100010199035 [0,2,0,0,0,0|2,0,0]=4 359 B19R2.195244 COC(=O)C(C)Sc1n[nH]c2c1cc(cc2)OC 62a_100000211248_100012353730 [0,2,0,0,0,0|2,0,0]=4 360 B19R2.1547499 COC(=O)CSc1nn(c2c1cc(cc2)OC)C 62a_100000747449_100010988832 [0,2,0,0,0,0|2,0,0]=4 361 B19R2.2094859 C=C(C)c1ccc2[nH]cc(c2c1)CCC(=O)OC 271570a_100000694244_100010888593 [0,2,0,0,0,0|1,0,0]=3 362 B19R2.6651977 C#CCC(=O)CCc1c[nH]c2c1cc(cc2)OC 1458a_100010000191_100000184674 [0,2,0,0,0,0|1,0,0]=3 363 B19R2.6651977 C#CCC(=O)NCc1c[nH]c2c1cc(cc2)OC 527a_100000084035_100011220946 [0,2,0,0,0,0|2,0,0]=4 364 B19R2.6651977 C=CCC(=O)CCc1c[nH]c2c1cc(cc2)OC 1458a_100010000191_100000210623 [0,2,0,0,0,0|1,0,0]=3 365 B19R2.6651977 C=CCC(=O)NCc1c[nH]c2c1cc(cc2)OC 11a_100000084035_100000210193 [0,2,0,0,0,0|2,0,0]=4 366 B19R2.6651977 C=CCC(=O)NCc1c[nH]c2c1cc(cc2)OC 240690a_100000084035_100000210193 [0,2,0,0,0,0|2,0,0]=4 367 B19R2.6651977 C=CCC(=O)NCc1c[nH]c2c1cc(cc2)OC 527a_100000084035_100000210193 [0,2,0,0,0,0|2,0,0]=4 368 B19R2.6651977 C=COC(=O)CSc1c[nH]c2c1cc(cn2)OC 62a_100000036128_100010199036 [0,2,0,0,0,0|2,0,0]=4 369 B19R2.6651977 C=COC(=O)CSc1c[nH]c2c1cc(nc2)OC 62a_100000036128_200010163580 [0,2,0,0,0,0|2,0,0]=4 370 B19R2.6651977 C=COC(=O)CSc1c[nH]c2c1nc(cc2)OC 62a_100000036128_100010199035 [0,2,0,0,0,0|2,0,0]=4 371 B19R2.6651977 C=COC(=O)CSc1n[nH]c2c1cc(cc2)OC 62a_100000036128_100012353730 [0,2,0,0,0,0|2,0,0]=4 372 B19R2.6651977 CC=CC(=O)NCc1c[nH]c2c1cc(cc2)OC 11a_100000084035_100000210699 [0,2,0,0,0,0|2,0,0]=4 373 B19R2.6651977 CC=CC(=O)NCc1c[nH]c2c1cc(cc2)OC 240690a_100000084035_100000210699 [0,2,0,0,0,0|2,0,0]=4 374 B19R2.6651977 CCCC(=O)CCc1c[nH]c2c1cc(cc2)OC 1458a_100010000191_100000210303 [0,2,0,0,0,0|1,0,0]=3 375 B19R2.6651977 CCCC(=O)NCc1c[nH]c2c1cc(cc2)OC 11a_100000084035_100000211992 [0,2,0,0,0,0|2,0,0]=4 376 B19R2.6651977 CCCC(=O)NCc1c[nH]c2c1cc(cc2)OC 240690a_100000084035_100000211992 [0,2,0,0,0,0|2,0,0]=4 377 B19R2.6651977 CCCC(=O)NCc1c[nH]c2c1cc(cc2)OC 527a_100000084035_100000211992 [0,2,0,0,0,0|2,0,0]=4 378 B19R2.6651977 CCNC(=O)CCc1c[nH]c2c1cc(cc2)OC 11a_100015525214_100010000191 [0,2,0,0,0,0|1,0,0]=3 379 B19R2.6651977 CCNC(=O)CCc1c[nH]c2c1cc(cc2)OC 240690a_100015525214_100010000191 [0,2,0,0,0,0|1,0,0]=3 380 B19R2.6651977 CCNC(=O)CCc1c[nH]c2c1cc(cc2)OC 527a_100015525214_100010000191 [0,2,0,0,0,0|1,0,0]=3 381 B19R2.6651977 CCNC(=O)NCc1c[nH]c2c1cc(cc2)OC 2708a_100000084035_100015525214 [0,2,0,0,0,0|2,0,0]=4 382 B19R2.6651977 CCNC(=O)NCc1c[nH]c2c1cc(cc2)OC 2708a_100015525214_100000084035 [0,2,0,0,0,0|2,0,0]=4 383 B19R2.6651977 CCNC(=O)NCc1c[nH]c2c1cc(cc2)OC 273464a_100015525214_100000084035 [0,2,0,0,0,0|2,0,0]=4 384 B19R2.6651977 CCNC(=O)NCc1c[nH]c2c1cc(cc2)OC 512a_100000084035_100015525214 [0,2,0,0,0,0|2,0,0]=4 385 B19R2.6651977 CCNC(=O)NCc1c[nH]c2c1cc(cc2)OC 512a_100015525214_100000084035 [0,2,0,0,0,0|2,0,0]=4 386 B19R2.6651977 CCOC(=O)CSc1c[nH]c2c1cc(cn2)OC 62a_100000188475_100010199036 [0,2,0,0,0,0|2,0,0]=4 387 B19R2.6651977 CCOC(=O)CSc1c[nH]c2c1cc(nc2)OC 62a_100000188475_200010163580 [0,2,0,0,0,0|2,0,0]=4 388 B19R2.6651977 CCOC(=O)CSc1c[nH]c2c1nc(cc2)OC 62a_100000188475_100010199035 [0,2,0,0,0,0|2,0,0]=4 389 B19R2.6651977 CCOC(=O)CSc1n[nH]c2c1cc(cc2)OC 62a_100000188475_100012353730 [0,2,0,0,0,0|2,0,0]=4 390 B19R2.6651977 CNNC(=O)CCc1c[nH]c2c1cc(cc2)OC 22a_100016993582_100010000191 [0,2,0,0,0,0|1,0,0]=3 391 B19R2.6651977 CNNC(=O)NCc1c[nH]c2c1cc(cc2)OC 512a_100000084035_100016993582 [0,2,0,0,0,0|2,0,0]=4 392 B19R2.6651977 CNNC(=O)NCc1c[nH]c2c1cc(cc2)OC 512a_100016993582_100000084035 [0,2,0,0,0,0|2,0,0]=4 393 B19R2.6651977 COCC(=O)NCc1c[nH]c2c1cc(cc2)OC 11a_100000084035_100000210968 [0,2,0,0,0,0|1,0,0]=3 394 B19R2.6651977 COCC(=O)NCc1c[nH]c2c1cc(cc2)OC 240690a_100000084035_100000210968 [0,2,0,0,0,0|1,0,0]=3 395 B19R2.6651977 COCC(=O)NCc1c[nH]c2c1cc(cc2)OC 527a_100000084035_100000210968 [0,2,0,0,0,0|1,0,0]=3 396 B19R2.6651977 COc1cc2c(c[nH]c2cn1)SCC(=O)NCO 62a_100000185155_200010163580 [0,2,0,0,0,0|2,0,0]=4 397 B19R2.6651977 COc1ccc2[nH]cc(c2c1)CCC(=O)CC#N 1458a_100010000191_100011214920 [0,2,0,0,0,0|1,0,0]=3 398 B19R2.6651977 COc1ccc2[nH]cc(c2c1)CCC(=O)CCF 1458a_100010000191_100011217306 [0,2,0,0,0,0|1,0,0]=3 399 B19R2.6651977 COc1ccc2[nH]cc(c2c1)CCC(=O)CCO 1458a_100010000191_100000211926 [0,2,0,0,0,0|0,0,0]=2 400 B19R2.6651977 COc1ccc2[nH]cc(c2c1)CNC(=O)C=CBr 240690a_100000084035_100016273825 [0,2,0,0,0,0|2,0,0]=4 401 B19R2.6651977 COc1ccc2[nH]cc(c2c1)CNC(=O)C=CCl 11a_100000084035_200016279998 [0,2,0,0,0,0|2,0,0]=4 402 B19R2.6651977 COc1ccc2[nH]cc(c2c1)CNC(=O)C=CCl 240690a_100000084035_200016279998 [0,2,0,0,0,0|2,0,0]=4 403 B19R2.6651977 COc1ccc2[nH]cc(c2c1)CNC(=O)CC#N 240690a_100000084035_100051588842 [0,2,0,0,0,0|2,0,0]=4 404 B19R2.6651977 COc1ccc2[nH]cc(c2c1)CNC(=O)CCO 240690a_100000084035_100011216618 [0,2,0,0,0,0|1,0,0]=3 405 B19R2.6651977 COc1ccc2[nH]cc(c2c1)CNC(=O)CSC 11a_100000084035_100000184570 [0,2,0,0,0,0|1,1,0]=4 406 B19R2.6651977 COc1ccc2[nH]cc(c2c1)CNC(=O)CSC 240690a_100000084035_100000184570 [0,2,0,0,0,0|1,1,0]=4 407 B19R2.6651977 COc1ccc2[nH]cc(c2c1)CNC(=O)CSC 527a_100000084035_100000184570 [0,2,0,0,0,0|1,1,0]=4 408 B19R2.6651977 COc1ccc2[nH]cc(c2n1)SCC(=O)NCO 62a_100000185155_100010199035 [0,2,0,0,0,0|2,0,0]=4 409 B19R2.6651977 COc1ccc2[nH]nc(c2c1)SCC(=O)NCO 62a_100000185155_100012353730 [0,2,0,0,0,0|2,0,0]=4 410 B19R2.6651977 COc1cnc2[nH]cc(c2c1)SCC(=O)NCO 62a_100000185155_100010199036 [0,2,0,0,0,0|2,0,0]=4 411 B17R2.2800 COc1ccc(c(c1)C2=CCC(CC2)O)N 271570a_100010254553_100015195136 [0,0,1,1,0,0|1,0,1]=4 412 B19R3.309846 COc1cc2c(c[nH]c2cn1)C3=CC(=O)CC3 271570a_100010737933_200010163580 [0,0,0,1,0,1|2,0,0]=4 413 B19R3.309846 COc1ccc2[nH]cc(c2n1)C3=CC(=O)CC3 271570a_100010737933_100010199035 [0,0,0,1,0,1|2,0,0]=4 414 B19R3.309846 COc1ccc2[nH]nc(c2c1)C3=CC(=O)CC3 271570a_100010737933_100012353730 [0,0,0,1,0,1|2,0,0]=4 415 B19R3.309846 COc1cnc2[nH]cc(c2c1)C3=CC(=O)CC3 271570a_100010737933_100010199036 [0,0,0,1,0,1|2,0,0]=4 416 B19R3.1571191 COc1cc2c(c[nH]c2cn1)SC3CC(=O)C3 62a_100009894365_200010163580 [0,0,0,1,0,1|2,0,0]=4 417 B19R3.1571191 COc1ccc2[nH]cc(c2n1)SC3CC(=O)C3 62a_100009894365_100010199035 [0,0,0,1,0,1|2,0,0]=4 418 B19R3.1571191 COc1ccc2[nH]nc(c2c1)SC3CC(=O)C3 62a_100009894365_100012353730 [0,0,0,1,0,1|2,0,0]=4 419 B19R3.1571191 COc1cnc2[nH]cc(c2c1)SC3CC(=O)C3 62a_100009894365_100010199036 [0,0,0,1,0,1|2,0,0]=4 420 B15R1.4 COc1ccc(cc1)C=CCOC(=O)C 271570a_200000047263_100000171711 [0,0,1,0,1,0|2,0,0]=4 421 B15R1.4 COc1ccc(cc1)NCCCC(=O)C 34a_100000184247_100000685027 [0,0,1,0,1,0|1,0,1]=4 422 B15R1.4 COc1ccc(cc1)NCCCC(=O)N 34a_100000184247_100102525003 [0,0,1,0,1,0|1,0,1]=4 423 B15R2.9410 CC(=O)Cc1c[nH]c2c1cc(cc2)Br 1458a_100000742623_200000210301 [1,0,0,0,1,0|2,0,0]=4 424 B15R2.9410 CC(=O)Cc1c[nH]c2c1cc(cc2)C 1458a_100102525273_200000210301 [1,0,0,0,1,0|1,0,0]=3 425 B15R2.9410 CC(=O)Cc1c[nH]c2c1cc(cc2)Cl 1458a_100000758855_200000210301 [1,0,0,0,1,0|2,0,0]=4 426 B15R2.9410 CC(=O)Cc1c[nH]c2c1cc(cc2)F 1458a_100102525430_200000210301 [1,0,0,0,1,0|2,0,0]=4 427 B15R2.9410 CC(=O)Cc1c[nH]c2c1cc(cc2)O 1458a_100000031536_200000210301 [1,0,0,0,1,0|1,0,0]=3 428 B15R2.9410 CC(=O)Cc1coc2c1cc(cc2)C 1458a_100000188615_200000210301 [1,0,0,0,1,0|2,0,0]=4 429 B15R2.9410 CC(=O)Cc1csc2c1cc(cc2)C 1458a_100000242747_200000210301 [1,0,0,0,1,0|2,0,0]=4 430 B15R2.9410 CC(=O)Oc1c[nH]c2c1cc(cc2)O 271570a_203496583355_100000755435 [1,0,0,0,1,0|2,0,0]=4 431 B15R2.9410 Cc1ccc2[nH]cc(c2c1)CC(=O)[13CH3] 1458a_100102525273_200025704644 [1,0,0,0,1,0|1,0,0]=3 432 B15R2.9410 Cc1ccc2occ(c2c1)CC(=O)[13CH3] 1458a_100000188615_200025704644 [1,0,0,0,1,0|2,0,0]=4 433 B15R2.9410 Cc1ccc2scc(c2c1)CC(=O)[13CH3] 1458a_100000242747_200025704644 [1,0,0,0,1,0|2,0,0]=4 434 B15R2.9410 NC(=O)Cc1c[nH]c2c1cc(cc2)O 271570a_203496583355_100009990690 [1,0,0,0,1,0|1,0,0]=3 435 B15R2.9410 [13CH3]C(=O)Cc1c[nH]c2c1cc(cc2)Br 1458a_100000742623_200025704644 [1,0,0,0,1,0|2,0,0]=4 436 B15R2.9410 [13CH3]C(=O)Cc1c[nH]c2c1cc(cc2)Cl 1458a_100000758855_200025704644 [1,0,0,0,1,0|2,0,0]=4 437 B15R2.9410 [13CH3]C(=O)Cc1c[nH]c2c1cc(cc2)F 1458a_100102525430_200025704644 [1,0,0,0,1,0|2,0,0]=4 438 B15R2.9410 [13CH3]C(=O)Cc1c[nH]c2c1cc(cc2)O 1458a_100000031536_200025704644 [1,0,0,0,1,0|1,0,0]=3 439 B17R1.6732 COc1ccc(c(c1)C(=O)CNCC(=O)O)O 269956a_100016091260_100010402061 [0,0,1,0,0,1|2,0,0]=4 440 B17R2.25462 CC(=O)CCCc1c[nH]c2c1cc(cc2)F 1458a_100000067597_200000210301 [1,0,0,0,0,1|2,0,0]=4 441 B17R2.25462 CC(=O)CCSc1c[nH]c2c1cc(cn2)C 62a_100000053229_100010246215 [1,0,0,0,0,1|2,0,0]=4 442 B17R2.25462 CC(=O)CCSc1c[nH]c2c1nc(cc2)C 62a_100000053229_100010212567 [1,0,0,0,0,1|2,0,0]=4 443 B17R2.25462 CC(=O)CCSc1n[nH]c2c1cc(cc2)C 62a_100000053229_100000123028 [1,0,0,0,0,1|2,0,0]=4 444 B17R2.25462 CC(=O)NCCc1c[nH]c2c1cc(cc2)Br 240690a_100016990496_100015343762 [1,0,0,0,0,1|2,0,0]=4 445 B17R2.25462 CC(=O)NCCc1c[nH]c2c1cc(cc2)Br 527a_100016990496_100103153847 [1,0,0,0,0,1|2,0,0]=4 446 B17R2.25462 CC(=O)NCCc1c[nH]c2c1cc(cc2)C 11a_100000008874_100015343762 [1,0,0,0,0,1|1,0,0]=3 447 B17R2.25462 CC(=O)NCCc1c[nH]c2c1cc(cc2)C 240690a_100000008874_100015343762 [1,0,0,0,0,1|1,0,0]=3 448 B17R2.25462 CC(=O)NCCc1c[nH]c2c1cc(cc2)C 527a_100000008874_100103153847 [1,0,0,0,0,1|1,0,0]=3 449 B17R2.25462 CC(=O)NCCc1c[nH]c2c1cc(cc2)Cl 11a_100000763428_100015343762 [1,0,0,0,0,1|2,0,0]=4 450 B17R2.25462 CC(=O)NCCc1c[nH]c2c1cc(cc2)Cl 240690a_100000763428_100015343762 [1,0,0,0,0,1|2,0,0]=4 451 B17R2.25462 CC(=O)NCCc1c[nH]c2c1cc(cc2)Cl 527a_100000763428_100103153847 [1,0,0,0,0,1|2,0,0]=4 452 B17R2.25462 CC(=O)NCCc1c[nH]c2c1cc(cc2)F 11a_100000725365_100015343762 [1,0,0,0,0,1|2,0,0]=4 453 B17R2.25462 CC(=O)NCCc1c[nH]c2c1cc(cc2)F 240690a_100000725365_100015343762 [1,0,0,0,0,1|2,0,0]=4 454 B17R2.25462 CC(=O)NCCc1c[nH]c2c1cc(cc2)F 527a_100000725365_100103153847 [1,0,0,0,0,1|2,0,0]=4 455 B17R2.25462 CC(=O)NCCc1c[nH]c2c1cc(cc2)O 240690a_100000009091_100015343762 [1,0,0,0,0,1|1,0,0]=3 456 B17R2.25462 CC(=O)NCCc1c[nH]c2c1cc(cc2)O 527a_100000009091_100103153847 [1,0,0,0,0,1|1,0,0]=3 457 B17R2.25462 Cc1ccc2[nH]cc(c2n1)SCCC(=O)N 62a_100000744528_100010212567 [1,0,0,0,0,1|2,0,0]=4 458 B17R2.25462 Cc1ccc2[nH]nc(c2c1)SCCC(=O)N 62a_100000744528_100000123028 [1,0,0,0,0,1|2,0,0]=4 459 B17R2.25462 Cc1cnc2[nH]cc(c2c1)SCCC(=O)N 62a_100000744528_100010246215 [1,0,0,0,0,1|2,0,0]=4 460 B17R2.25462 O=C(O)CNCc1csc2c1cc(cc2)Cl 269956a_100016091260_100009814428 [1,0,0,0,0,1|2,0,0]=4 461 B17R2.25462 O=C(O)CNCc1csc2c1cc(cc2)F 269956a_100016091260_100010109839 [1,0,0,0,0,1|2,0,0]=4 462 B17R2.25462 [13CH3]C(=O)CCCc1c[nH]c2c1cc(cc2)F 1458a_100000067597_200025704644 [1,0,0,0,0,1|2,0,0]=4 463 B17R2.59605 COc1ccc2ccc(cc2c1)OCC=O 34a_100000179802_200009817547 [1,0,0,0,0,1|2,0,0]=4 464 B17R2.59605 COc1ccc2ccc(cc2c1)OCC=O 7a_100000179802_200015260668 [1,0,0,0,0,1|2,0,0]=4 465 B17R2.59605 COc1ccc2ccc(cc2c1)SCC=O 62a_200015260668_100010090027 [1,0,0,0,0,1|2,0,0]=4 466 B17R2.59605 COc1ccc2ccc(nc2c1)SCC=O 62a_200015260668_100009877240 [1,0,0,0,0,1|2,0,0]=4 467 B17R2.59605 COc1ccc2ncc(cc2c1)SCC=O 62a_200015260668_100000700671 [1,0,0,0,0,1|1,0,1]=4 468 B17R2.59605 COc1ccc2ncc(nc2c1)SCC=O 62a_200015260668_100009882714 [1,0,0,0,0,1|1,0,1]=4 469 B17R2.342035 COc1ccc2cccc(c2c1)NCC=O 34a_100000087654_200009817547 [1,0,0,0,0,1|2,0,0]=4 470 B17R2.342035 COc1ccc2cccc(c2c1)OCC=O 34a_100000040783_200009817547 [1,0,0,0,0,1|2,0,0]=4 471 B17R2.342035 COc1ccc2cccc(c2c1)OCC=O 7a_100000040783_200015260668 [1,0,0,0,0,1|2,0,0]=4 472 B17R2.342035 COc1ccc2cccc(c2c1)SCC=O 62a_200015260668_100010178974 [1,0,0,0,0,1|2,0,0]=4 473 B17R2.342035 COc1ccc2ccnc(c2c1)SCC=O 62a_200015260668_100012348807 [1,0,0,0,0,1|2,0,0]=4 474 B17R2.342035 COc1ccc2nccc(c2c1)OCC=O 34a_100000005308_200009817547 [1,0,0,0,0,1|1,0,1]=4 475 B17R2.342035 COc1ccc2nccc(c2c1)SCC=O 62a_200015260668_100011310462 [1,0,0,0,0,1|1,0,1]=4 476 B17R2.342035 COc1ccc2ncnc(c2c1)SCC=O 62a_200015260668_100011804145 [1,0,0,0,0,1|1,0,1]=4 477 B17R2.2764 COc1cc2[nH]cc(c2cn1)SCC(=O)N 62a_100000747473_200010168631 [0,0,0,0,1,1|2,0,0]=4 478 B17R2.2764 COc1cc2[nH]cc(c2cn1)SCC(=O)[O-] 62a_100020667443_200010168631 [0,0,0,0,1,1|1,0,1]=4 479 B17R2.2764 COc1ccc2c(c[nH]c2c1)CNC(=O)C 11a_100000084036_100015343762 [0,0,0,0,1,1|2,0,0]=4 480 B17R2.2764 COc1ccc2c(c[nH]c2c1)CNC(=O)C 240690a_100000084036_100015343762 [0,0,0,0,1,1|2,0,0]=4 481 B17R2.2764 COc1ccc2c(c[nH]c2c1)CNC(=O)C 527a_100000084036_100103153847 [0,0,0,0,1,1|2,0,0]=4 482 B17R2.2764 COc1cnc2c(c[nH]c2c1)SCC(=O)N 62a_100000747473_200010168573 [0,0,0,0,1,1|2,0,0]=4 483 B17R2.2764 COc1cnc2c(c[nH]c2c1)SCC(=O)[O-] 62a_100020667443_200010168573 [0,0,0,0,1,1|1,0,1]=4 484 B17R2.63388 COc1nccc2c1c(c[nH]2)SCC(=O)N 62a_100000747473_100010206807 [0,0,0,0,1,1|2,0,0]=4 485 B17R2.63388 COc1nccc2c1c(c[nH]2)SCC(=O)[O-] 62a_100020667443_100010206807 [0,0,0,0,1,1|1,0,1]=4 486 B19R2.26602 COc1ccc2ccc(cc2c1)COCC(=O)N 34a_100009888446_100000187820 [0,0,0,0,0,2|2,0,0]=4 487 B19R2.26602 COc1ccc2ccc(cc2c1)COCC(=O)N 7a_100009888446_100000187820 [0,0,0,0,0,2|2,0,0]=4 488 B19R2.26602 COc1ccc2ccc(cc2c1)COCC(=O)[O-] 34a_100009888446_100020667443 [0,0,0,0,0,2|1,0,1]=4 489 B19R2.26602 COc1ccc2ccc(cc2c1)OCCC(=O)C 7a_100000179802_100000053229 [0,0,0,0,0,2|2,0,0]=4 490 B19R2.26602 COc1ccc2ccc(cc2c1)OCCC(=O)N 34a_100000179802_100000731001 [0,0,0,0,0,2|2,0,0]=4 491 B19R2.26602 COc1ccc2ccc(cc2c1)OCCC(=O)N 7a_100000179802_100000744528 [0,0,0,0,0,2|2,0,0]=4 492 B19R2.26602 COc1ccc2ccc(cc2c1)SCCC(=O)C 62a_100000053229_100010090027 [0,0,0,0,0,2|2,0,0]=4 493 B19R2.26602 COc1ccc2ccc(cc2c1)SCCC(=O)N 62a_100000744528_100010090027 [0,0,0,0,0,2|2,0,0]=4 494 B19R2.26602 COc1ccc2ccc(nc2c1)NCCC(=O)N 27a_100000740010_100009877240 [0,0,0,0,0,2|2,0,0]=4 495 B19R2.26602 COc1ccc2ccc(nc2c1)SCCC(=O)C 62a_100000053229_100009877240 [0,0,0,0,0,2|2,0,0]=4 496 B19R2.26602 COc1ccc2ccc(nc2c1)SCCC(=O)N 62a_100000744528_100009877240 [0,0,0,0,0,2|2,0,0]=4 497 B19R2.26602 COc1ccc2ncc(cc2c1)SCCC(=O)C 62a_100000053229_100000700671 [0,0,0,0,0,2|1,0,1]=4 498 B19R2.26602 COc1ccc2ncc(cc2c1)SCCC(=O)N 62a_100000744528_100000700671 [0,0,0,0,0,2|1,0,1]=4 499 B19R2.26602 COc1ccc2ncc(nc2c1)NCCC(=O)N 27a_100000740010_100009882714 [0,0,0,0,0,2|1,0,1]=4 500 B19R2.26602 COc1ccc2ncc(nc2c1)SCCC(=O)C 62a_100000053229_100009882714 [0,0,0,0,0,2|1,0,1]=4 501 B19R2.26602 COc1ccc2ncc(nc2c1)SCCC(=O)N 62a_100000744528_100009882714 [0,0,0,0,0,2|1,0,1]=4 502 B19R2.27143 COc1ccc2cccc(c2c1)CCNC(=O)C 11a_100015190247_100015343762 [0,0,0,0,0,2|2,0,0]=4 503 B19R2.27143 COc1ccc2cccc(c2c1)CCNC(=O)C 1626a_100015190247_100015343762 [0,0,0,0,0,2|2,0,0]=4 504 B19R2.27143 COc1ccc2cccc(c2c1)CCNC(=O)C 240690a_100015190247_100015343762 [0,0,0,0,0,2|2,0,0]=4 505 B19R2.27143 COc1ccc2cccc(c2c1)CCNC(=O)C 527a_100015190247_100103153847 [0,0,0,0,0,2|2,0,0]=4 506 B19R2.27143 COc1ccc2cccc(c2c1)NCCC(=O)N 34a_100000087654_100000731001 [0,0,0,0,0,2|2,0,0]=4 507 B19R2.27143 COc1ccc2cccc(c2c1)OCCC(=O)C 7a_100000040783_100000053229 [0,0,0,0,0,2|2,0,0]=4 508 B19R2.27143 COc1ccc2cccc(c2c1)OCCC(=O)N 34a_100000040783_100000731001 [0,0,0,0,0,2|2,0,0]=4 509 B19R2.27143 COc1ccc2cccc(c2c1)OCCC(=O)N 7a_100000040783_100000744528 [0,0,0,0,0,2|2,0,0]=4 510 B19R2.27143 COc1ccc2cccc(c2c1)SCCC(=O)C 62a_100000053229_100010178974 [0,0,0,0,0,2|2,0,0]=4 511 B19R2.27143 COc1ccc2cccc(c2c1)SCCC(=O)N 62a_100000744528_100010178974 [0,0,0,0,0,2|2,0,0]=4 512 B19R2.27143 COc1ccc2ccnc(c2c1)NCCC(=O)N 27a_100000740010_100012348807 [0,0,0,0,0,2|2,0,0]=4 513 B19R2.27143 COc1ccc2ccnc(c2c1)SCCC(=O)C 62a_100000053229_100012348807 [0,0,0,0,0,2|2,0,0]=4 514 B19R2.27143 COc1ccc2ccnc(c2c1)SCCC(=O)N 62a_100000744528_100012348807 [0,0,0,0,0,2|2,0,0]=4 515 B19R2.27143 COc1ccc2nccc(c2c1)NCCC(=O)N 27a_100000740010_100011310462 [0,0,0,0,0,2|1,0,1]=4 516 B19R2.27143 COc1ccc2nccc(c2c1)OCCC(=O)N 34a_100000005308_100000731001 [0,0,0,0,0,2|1,0,1]=4 517 B19R2.27143 COc1ccc2nccc(c2c1)SCCC(=O)C 62a_100000053229_100011310462 [0,0,0,0,0,2|1,0,1]=4 518 B19R2.27143 COc1ccc2nccc(c2c1)SCCC(=O)N 62a_100000744528_100011310462 [0,0,0,0,0,2|1,0,1]=4 519 B19R2.27143 COc1ccc2ncnc(c2c1)NCCC(=O)N 27a_100000740010_100011804145 [0,0,0,0,0,2|1,0,1]=4 520 B19R2.27143 COc1ccc2ncnc(c2c1)SCCC(=O)C 62a_100000053229_100011804145 [0,0,0,0,0,2|1,0,1]=4 521 B19R2.27143 COc1ccc2ncnc(c2c1)SCCC(=O)N 62a_100000744528_100011804145 [0,0,0,0,0,2|1,0,1]=4 522 B19R2.195245 C=C(C)CNCCc1c[nH]c2c1cc(cc2)OC 2230a_100000755253_100000748629 [0,0,0,0,0,2|2,0,0]=4 523 B19R2.195245 C=C(C)COCCc1c[nH]c2c1cc(cc2)OC 34a_200011933912_100000748629 [0,0,0,0,0,2|2,0,0]=4 524 B19R2.195245 C=C(F)CNCCc1c[nH]c2c1cc(cc2)OC 2230a_100000755253_100009893438 [0,0,0,0,0,2|2,0,0]=4 525 B19R2.195245 C=C(F)COCCc1c[nH]c2c1cc(cc2)OC 34a_200011933912_100009893438 [0,0,0,0,0,2|2,0,0]=4 526 B19R2.195245 COc1cc2c(c[nH]c2cn1)SCCCC(=O)C 62a_100011215641_200010163580 [0,0,0,0,0,2|2,0,0]=4 527 B19R2.195245 COc1cc2c(c[nH]c2cn1)SCCCC(=O)N 62a_100102525003_200010163580 [0,0,0,0,0,2|2,0,0]=4 528 B19R2.195245 COc1cc2c(c[nH]c2cn1)SCCNC(=O)C 62a_100000189650_200010163580 [0,0,0,0,0,2|2,0,0]=4 529 B19R2.195245 COc1cc2c(c[nH]c2cn1)SCCNC(=O)N 62a_200000034859_200010163580 [0,0,0,0,0,2|2,0,0]=4 530 B19R2.195245 COc1cc2c(c[nH]c2cn1)SCCOC(=O)C 62a_100009814007_200010163580 [0,0,0,0,0,2|2,0,0]=4 531 B19R2.195245 COc1cc2c(c[nH]c2cn1)SCCOC(=O)N 62a_200011214921_200010163580 [0,0,0,0,0,2|2,0,0]=4 532 B19R2.195245 COc1ccc2[nH]cc(c2c1)CCNCC(=O)N 2230a_100000755253_100000747473 [0,0,0,0,0,2|1,0,0]=3 533 B19R2.195245 COc1ccc2[nH]cc(c2c1)CCNCC(C)O 2230a_100000755253_100011218427 [0,0,0,0,0,2|1,0,1]=4 534 B19R2.195245 COc1ccc2[nH]cc(c2c1)CCNC[C@@H](C)O 2230a_100000755253_100009817552 [0,0,0,0,0,2|1,0,1]=4 535 B19R2.195245 COc1ccc2[nH]cc(c2c1)CCOCC(=O)N 34a_200011933912_100000187820 [0,0,0,0,0,2|1,0,0]=3 536 B19R2.195245 COc1ccc2[nH]cc(c2c1)CCOCC(=O)[O-] 34a_200011933912_100020667443 [0,0,0,0,0,2|0,0,1]=3 537 B19R2.195245 COc1ccc2[nH]cc(c2c1)CCOCC(C)O 34a_200011933912_100011218427 [0,0,0,0,0,2|1,0,1]=4 538 B19R2.195245 COc1ccc2[nH]cc(c2c1)CCOC[C@@H](C)O 34a_200011933912_100009817552 [0,0,0,0,0,2|1,0,1]=4 539 B19R2.195245 COc1ccc2[nH]cc(c2c1)CCOC[N+](=O)[O-] 34a_200011933912_100000761209 [0,0,0,0,0,2|1,0,1]=4 540 B19R2.195245 COc1ccc2[nH]cc(c2c1)CNCC=C(C)C 270004a_100000718196_100000748866 [0,0,0,0,0,2|2,0,0]=4 541 B19R2.195245 COc1ccc2[nH]cc(c2c1)CNCCC(C)O 270004a_200000755665_100000748866 [0,0,0,0,0,2|1,0,1]=4 542 B19R2.195245 COc1ccc2[nH]cc(c2n1)SCCCC(=O)C 62a_100011215641_100010199035 [0,0,0,0,0,2|2,0,0]=4 543 B19R2.195245 COc1ccc2[nH]cc(c2n1)SCCCC(=O)N 62a_100102525003_100010199035 [0,0,0,0,0,2|2,0,0]=4 544 B19R2.195245 COc1ccc2[nH]cc(c2n1)SCCNC(=O)C 62a_100000189650_100010199035 [0,0,0,0,0,2|2,0,0]=4 545 B19R2.195245 COc1ccc2[nH]cc(c2n1)SCCNC(=O)N 62a_200000034859_100010199035 [0,0,0,0,0,2|2,0,0]=4 546 B19R2.195245 COc1ccc2[nH]cc(c2n1)SCCOC(=O)C 62a_100009814007_100010199035 [0,0,0,0,0,2|2,0,0]=4 547 B19R2.195245 COc1ccc2[nH]cc(c2n1)SCCOC(=O)N 62a_200011214921_100010199035 [0,0,0,0,0,2|2,0,0]=4 548 B19R2.195245 COc1ccc2[nH]nc(c2c1)CNCCC(=O)N 207a_100000740010_100000084273 [0,0,0,0,0,2|2,0,0]=4 549 B19R2.195245 COc1ccc2[nH]nc(c2c1)SCCCC(=O)C 62a_100011215641_100012353730 [0,0,0,0,0,2|2,0,0]=4 550 B19R2.195245 COc1ccc2[nH]nc(c2c1)SCCCC(=O)N 62a_100102525003_100012353730 [0,0,0,0,0,2|2,0,0]=4 551 B19R2.195245 COc1ccc2[nH]nc(c2c1)SCCNC(=O)C 62a_100000189650_100012353730 [0,0,0,0,0,2|2,0,0]=4 552 B19R2.195245 COc1ccc2[nH]nc(c2c1)SCCNC(=O)N 62a_200000034859_100012353730 [0,0,0,0,0,2|2,0,0]=4 553 B19R2.195245 COc1ccc2[nH]nc(c2c1)SCCOC(=O)C 62a_100009814007_100012353730 [0,0,0,0,0,2|2,0,0]=4 554 B19R2.195245 COc1ccc2[nH]nc(c2c1)SCCOC(=O)N 62a_200011214921_100012353730 [0,0,0,0,0,2|2,0,0]=4 555 B19R2.195245 COc1cnc2[nH]cc(c2c1)SCCCC(=O)C 62a_100011215641_100010199036 [0,0,0,0,0,2|2,0,0]=4 556 B19R2.195245 COc1cnc2[nH]cc(c2c1)SCCCC(=O)N 62a_100102525003_100010199036 [0,0,0,0,0,2|2,0,0]=4 557 B19R2.195245 COc1cnc2[nH]cc(c2c1)SCCNC(=O)C 62a_100000189650_100010199036 [0,0,0,0,0,2|2,0,0]=4 558 B19R2.195245 COc1cnc2[nH]cc(c2c1)SCCNC(=O)N 62a_200000034859_100010199036 [0,0,0,0,0,2|2,0,0]=4 559 B19R2.195245 COc1cnc2[nH]cc(c2c1)SCCOC(=O)C 62a_100009814007_100010199036 [0,0,0,0,0,2|2,0,0]=4 560 B19R2.195245 COc1cnc2[nH]cc(c2c1)SCCOC(=O)N 62a_200011214921_100010199036 [0,0,0,0,0,2|2,0,0]=4