0 B16R2.2327 CCc1cc(ccc1c2csc(n2)N)Br 271570a_200010732553_100011998049 [0,0,0,0,0,0|0,2,2]=4 1 B16R2.2327 CCc1cc(ccc1c2n[nH]c(n2)N)Br 271570a_200010732553_100015184587 [0,0,0,0,0,0|2,1,1]=4 2 B16R2.2327 CCc1cc(ccc1c2nc(cs2)N)Br 271570a_200010732553_200015188442 [0,0,0,0,0,0|2,1,1]=4 3 B16R2.2327 CCc1cc(ccc1c2noc(n2)C)Br 271570a_200010732553_100012003639 [0,0,0,0,0,0|2,1,1]=4 4 B16R2.2327 COc1cc(ccc1c2csc(n2)N)Cl 271570a_100010045236_100011998049 [0,0,0,0,0,0|1,1,2]=4 5 B16R2.2327 COc1cc(ccc1c2n[nH]c(n2)N)Cl 271570a_100010045236_100015184587 [0,0,0,0,0,0|3,0,1]=4 6 B16R2.2327 COc1cc(ccc1c2nc(cs2)N)Cl 271570a_100010045236_200015188442 [0,0,0,0,0,0|3,0,1]=4 7 B16R2.2327 COc1cc(ccc1c2noc(n2)C)Cl 270196a_100000720762_100000070787 [0,0,0,0,0,0|3,0,1]=4 8 B16R2.2327 COc1cc(ccc1c2noc(n2)C)Cl 271570a_100010045236_100012003639 [0,0,0,0,0,0|3,0,1]=4 9 B16R2.2327 COc1cc(ccc1c2noc(n2)O)Cl 270196a_100000720762_100015183105 [0,0,0,0,0,0|3,0,1]=4 10 B15R2.1153 Cc1cc(ccc1c2csc(n2)N)Cl 271570a_100011216725_100011998049 [1,0,0,0,0,0|0,1,2]=4 11 B15R2.1153 Cc1cc(ccc1c2n[nH]c(n2)N)Cl 271570a_100011216725_100015184587 [1,0,0,0,0,0|2,0,1]=4 12 B15R2.1153 Cc1cc(ccc1c2nc(cs2)N)Cl 271570a_100011216725_200015188442 [1,0,0,0,0,0|2,0,1]=4 13 B15R2.1153 Cc1cc(ccc1c2noc(n2)O)Cl 270196a_100011217019_100015183105 [1,0,0,0,0,0|2,0,1]=4 14 B15R2.1153 Cc1nc(no1)c2ccc(cc2C)Cl 270196a_100011217019_100000070787 [1,0,0,0,0,0|2,0,1]=4 15 B15R2.1153 Cc1nc(no1)c2ccc(cc2C)Cl 271570a_100011216725_100012003639 [1,0,0,0,0,0|2,0,1]=4 16 B15R2.2189 CCc1ccccc1c2csc(n2)N 271570a_100011216252_100011998049 [1,0,0,0,0,0|0,1,2]=4 17 B15R2.2189 CCc1ccccc1c2n[nH]c(n2)N 271570a_100011216252_100015184587 [1,0,0,0,0,0|2,0,1]=4 18 B15R2.2189 CCc1ccccc1c2nc(cs2)N 271570a_100011216252_200015188442 [1,0,0,0,0,0|2,0,1]=4 19 B15R2.2189 CCc1ccccc1c2noc(n2)C 270196a_100000752562_100000070787 [1,0,0,0,0,0|2,0,1]=4 20 B15R2.2189 CCc1ccccc1c2noc(n2)C 271570a_100011216252_100012003639 [1,0,0,0,0,0|2,0,1]=4 21 B15R2.2189 CCc1ccccc1c2noc(n2)O 270196a_100000752562_100015183105 [1,0,0,0,0,0|2,0,1]=4 22 B17R2.5756 CCOc1cc(ccc1c2csc(n2)N)Cl 271570a_100000041748_100011998049 [0,1,0,0,0,0|0,1,2]=4 23 B17R2.5756 CCOc1cc(ccc1c2n[nH]c(n2)N)Cl 271570a_100000041748_100015184587 [0,1,0,0,0,0|2,0,1]=4 24 B17R2.5756 CCOc1cc(ccc1c2nc(cs2)N)Cl 271570a_100000041748_200015188442 [0,1,0,0,0,0|2,0,1]=4 25 B17R2.5756 CCOc1cc(ccc1c2noc(n2)C)Cl 271570a_100000041748_100012003639 [0,1,0,0,0,0|2,0,1]=4 26 B15R1.13063 CCc1cc(ccc1NCCC(=O)N)Cl 2230a_100012017146_100000744528 [0,0,1,0,0,0|3,0,0]=4 27 B15R1.13063 CCc1cc(ccc1NCCC(=O)N)Cl 34a_100012017146_100000731001 [0,0,1,0,0,0|3,0,0]=4 28 B15R1.13063 CCc1cc(ccc1NCCC(=O)N)Cl 7a_100012017146_100000744528 [0,0,1,0,0,0|3,0,0]=4 29 B15R1.13063 CCc1cc(ccc1NCOC(=O)C)Cl 34a_100012017146_100009813279 [0,0,1,0,0,0|3,0,0]=4 30 B15R1.13065 CCc1cc(ccc1NCC(=O)OC)Cl 2230a_100012017146_100000747449 [0,0,1,0,0,0|3,0,0]=4 31 B15R1.13065 CCc1cc(ccc1NCC(=O)OC)Cl 34a_100012017146_100000747449 [0,0,1,0,0,0|3,0,0]=4 32 B15R1.13065 CCc1cc(ccc1NCC(=O)OC)Cl 7a_100012017146_100000747449 [0,0,1,0,0,0|3,0,0]=4 33 B17R2.10533 CCc1cc(ccc1NC2COC(=O)O2)Br 34a_100000686106_100000032252 [0,0,0,0,0,1|2,1,0]=4 34 B17R2.10533 CCc1cc(ccc1NC2COC(=O)O2)Cl 34a_100012017146_100000032252 [0,0,0,0,0,1|2,0,0]=3 35 B17R2.10533 CCc1cc(ccc1NC2COC(=O)O2)I 34a_100000014069_100000032252 [0,0,0,0,0,1|2,1,0]=4 36 B17R2.10533 CCc1cc(ccc1Nc2noc(n2)C)Cl 27a_100012017146_100012003639 [0,0,0,0,0,1|2,0,1]=4 37 B17R2.10533 CCc1cc(ccc1OC2COC(=O)O2)Br 34a_100012338938_100000032252 [0,0,0,0,0,1|2,1,0]=4 38 B17R2.10533 CCc1cc(ccc1OC2COC(=O)O2)C 34a_100009844793_100000032252 [0,0,0,0,0,1|3,0,0]=4 39 B17R2.10533 CCc1cc(ccc1OC2COC(=O)O2)F 34a_200000035566_100000032252 [0,0,0,0,0,1|2,1,0]=4 40 B17R2.10533 CCc1cc(ccc1SC2COC(=O)O2)Br 62a_100011216195_100000032252 [0,0,0,0,0,1|2,1,0]=4 41 B17R2.10533 CCc1cc(ccc1SC2COC(=O)O2)N 62a_100010109747_100000032252 [0,0,0,0,0,1|3,0,0]=4 42 B17R2.10533 COc1cc(ccc1NC2COC(=O)O2)Cl 34a_100000707585_100000032252 [0,0,0,0,0,1|3,0,0]=4 43 B17R2.10533 COc1cc(ccc1OC2COC(=O)O2)Cl 34a_100000033002_100000032252 [0,0,0,0,0,1|3,0,0]=4 44 B17R2.10533 COc1cc(ccc1SC2COC(=O)O2)Cl 62a_100000050115_100000032252 [0,0,0,0,0,1|3,0,0]=4 45 B17R2.10533 NCc1cc(ccc1OC2COC(=O)O2)Cl 34a_100000238540_100000032252 [0,0,0,0,0,1|3,0,0]=4 46 B17R2.10533 O=C1OCC(O1)Nc2ccc(cc2CO)Cl 34a_100011214999_100000032252 [0,0,0,0,0,1|3,0,0]=4 47 B17R2.10533 O=C1OCC(O1)Oc2ccc(cc2CO)Cl 34a_100011218961_100000032252 [0,0,0,0,0,1|3,0,0]=4 48 B18R2.29386 C[C@@H](N)c1cc(ccc1OC2COC(=O)O2)Cl 34a_100011853016_100000032252 [0,1,0,0,0,1|2,0,0]=4 49 B18R2.73482 CCOc1cc(ccc1NC2COC(=O)O2)Cl 34a_100000687649_100000032252 [0,1,0,0,0,1|2,0,0]=4 50 B18R2.73482 CNCc1cc(ccc1OC2COC(=O)O2)Cl 34a_100000712467_100000032252 [0,1,0,0,0,1|2,0,0]=4 51 B16R1.4715 CCc1cc(ccc1NCCCC(=O)N)Cl 34a_100012017146_100102525003 [0,0,1,0,0,1|2,0,0]=4 52 B16R1.4715 CCc1cc(ccc1NCCCC(=O)N)Cl 7a_100012017146_100102525003 [0,0,1,0,0,1|2,0,0]=4 53 B16R1.4715 CCc1cc(ccc1NCCNC(=O)N)Cl 2230a_100012017146_200000034859 [0,0,1,0,0,1|2,0,0]=4 54 B16R1.4715 CCc1cc(ccc1NCCNC(=O)N)Cl 7a_100012017146_200000034859 [0,0,1,0,0,1|2,0,0]=4 55 B16R1.4715 CCc1cc(ccc1NCCOC(=O)C)Cl 34a_100012017146_100009814007 [0,0,1,0,0,1|2,0,0]=4 56 B16R1.4715 CCc1cc(ccc1NCCOC(=O)C)Cl 7a_100012017146_100009814007 [0,0,1,0,0,1|2,0,0]=4 57 B16R1.4715 CCc1cc(ccc1NCCOC(=O)N)Br 34a_100000686106_200011214921 [0,0,1,0,0,1|1,1,0]=4 58 B16R1.4715 CCc1cc(ccc1NCCOC(=O)N)Br 7a_100000686106_200011214921 [0,0,1,0,0,1|1,1,0]=4 59 B16R1.4715 CCc1cc(ccc1NCCOC(=O)N)Cl 34a_100012017146_200011214921 [0,0,1,0,0,1|1,0,0]=3 60 B16R1.4715 CCc1cc(ccc1NCCOC(=O)N)Cl 7a_100012017146_200011214921 [0,0,1,0,0,1|1,0,0]=3 61 B16R1.4715 CCc1cc(ccc1NCCOC(=O)N)I 34a_100000014069_200011214921 [0,0,1,0,0,1|1,1,0]=4 62 B16R1.4715 CCc1cc(ccc1NCCOC(=O)N)I 7a_100000014069_200011214921 [0,0,1,0,0,1|1,1,0]=4 63 B16R1.4715 CCc1cc(ccc1OCCOC(=O)N)Br 34a_100012338938_200011214921 [0,0,1,0,0,1|1,1,0]=4 64 B16R1.4715 CCc1cc(ccc1OCCOC(=O)N)Br 7a_100012338938_200011214921 [0,0,1,0,0,1|1,1,0]=4 65 B16R1.4715 CCc1cc(ccc1OCCOC(=O)N)C 34a_100009844793_200011214921 [0,0,1,0,0,1|2,0,0]=4 66 B16R1.4715 CCc1cc(ccc1OCCOC(=O)N)C 7a_100009844793_200011214921 [0,0,1,0,0,1|2,0,0]=4 67 B16R1.4715 CCc1cc(ccc1OCCOC(=O)N)F 34a_200000035566_200011214921 [0,0,1,0,0,1|1,1,0]=4 68 B16R1.4715 CCc1cc(ccc1OCCOC(=O)N)F 7a_200000035566_200011214921 [0,0,1,0,0,1|1,1,0]=4 69 B16R1.4715 CCc1cc(ccc1SCCOC(=O)N)Br 62a_100011216195_200011214921 [0,0,1,0,0,1|1,1,0]=4 70 B16R1.4715 CCc1cc(ccc1SCCOC(=O)N)Br 62a_200011214921_100011216195 [0,0,1,0,0,1|1,1,0]=4 71 B16R1.4715 CCc1cc(ccc1SCCOC(=O)N)N 62a_100010109747_200011214921 [0,0,1,0,0,1|2,0,0]=4 72 B16R1.4715 CCc1cc(ccc1SCCOC(=O)N)N 62a_200011214921_100010109747 [0,0,1,0,0,1|2,0,0]=4 73 B16R1.4715 COc1cc(ccc1NCCOC(=O)N)Cl 34a_100000707585_200011214921 [0,0,1,0,0,1|2,0,0]=4 74 B16R1.4715 COc1cc(ccc1OCCOC(=O)N)Cl 34a_100000033002_200011214921 [0,0,1,0,0,1|2,0,0]=4 75 B16R1.4715 COc1cc(ccc1SCCOC(=O)N)Cl 62a_100000050115_200011214921 [0,0,1,0,0,1|2,0,0]=4 76 B16R1.4715 COc1cc(ccc1SCCOC(=O)N)Cl 62a_200011214921_100000050115 [0,0,1,0,0,1|2,0,0]=4 77 B16R1.4715 NC(=O)OCCNc1ccc(cc1CO)Cl 34a_100011214999_200011214921 [0,0,1,0,0,1|2,0,0]=4 78 B16R1.4715 NC(=O)OCCOc1ccc(cc1CO)Cl 34a_100011218961_200011214921 [0,0,1,0,0,1|2,0,0]=4 79 B16R1.4715 NC(=O)OCCOc1ccc(cc1CO)Cl 7a_100011218961_200011214921 [0,0,1,0,0,1|2,0,0]=4 80 B16R1.4715 NCc1cc(ccc1OCCOC(=O)N)Cl 34a_100000238540_200011214921 [0,0,1,0,0,1|2,0,0]=4 81 B16R2.316 Cc1cc(ccc1NC2COC(=O)O2)Cl 34a_100000210418_100000032252 [1,0,0,0,0,1|2,0,0]=4 82 B16R2.316 Cc1cc(ccc1OC2COC(=O)O2)Cl 34a_100000211091_100000032252 [1,0,0,0,0,1|2,0,0]=4 83 B16R2.316 Cc1cc(ccc1SC2COC(=O)O2)Cl 62a_100011219607_100000032252 [1,0,0,0,0,1|2,0,0]=4 84 B16R2.173 CCc1ccccc1NC2COC(=O)O2 34a_100000212081_100000032252 [1,0,0,0,0,1|2,0,0]=4 85 B16R2.173 CCc1ccccc1OC2COC(=O)O2 34a_100000210936_100000032252 [1,0,0,0,0,1|2,0,0]=4 86 B16R2.173 CCc1ccccc1SC2COC(=O)O2 62a_100011215823_100000032252 [1,0,0,0,0,1|2,0,0]=4 87 B16R2.6917 CCc1cc(ccc1NC2CCOC2)Cl 2230a_100012017146_100000731011 [1,0,0,0,0,1|1,0,1]=4 88 B16R2.6917 CCc1cc(ccc1NC2CCOC2)Cl 34a_100012017146_100000690089 [1,0,0,0,0,1|1,0,1]=4 89 B16R2.6917 CCc1cc(ccc1NC2CCOC2)Cl 7a_100012017146_100000731011 [1,0,0,0,0,1|1,0,1]=4 90 B18R2.15285 CCc1cc(ccc1NCC2COC(=O)O2)Cl 34a_100012017146_100000073702 [0,0,0,0,0,2|2,0,0]=4 91 B18R2.15285 CCc1cc(ccc1NC[C@H]2COC(=O)N2)Cl 2230a_100012017146_100015307671 [0,0,0,0,0,2|1,0,1]=4 92 B18R2.15285 CCc1cc(ccc1NC[C@H]2COC(=O)N2)Cl 34a_100012017146_100015307671 [0,0,0,0,0,2|1,0,1]=4 93 B18R2.15285 CCc1cc(ccc1NC[C@H]2COC(=O)N2)Cl 7a_100012017146_100015307671 [0,0,0,0,0,2|1,0,1]=4