0 B23R3.90493228 Clc1ccc2c(c1)C(=NC(C(=O)N2C)O)c3ccccc3 Amb13889605 [0,0,0,0,0,0|0,0,0]=0 1 B22R3.7265977 CN1C(=O)C(N)N=C(c2ccccc2)c3ccccc13 Amb19668060 [1,0,0,0,0,0|1,0,0]=2 2 B22R3.7265977 CN1C(=O)[C@@H](N)N=C(c2ccccc12)c3ccccc3 Amb22747544 [1,0,0,0,0,0|1,0,0]=2 3 B22R3.7265977 CN1c2ccccc2C(=N[C@@H]([NH3+])C1=O)c3ccccc3 Amb17871754 [1,0,0,0,0,0|1,0,0]=2 4 B22R3.10622968 CC1N=C(c2cc(Cl)ccc2NC1=O)c3ccccc3 Amb21927688 [1,0,0,0,0,0|1,0,0]=2 5 B22R3.10622968 O=C1Nc2ccc(cc2C(=NC1O)c3ccccc3)Br Amb1201996 [1,0,0,0,0,0|0,1,0]=2 6 B22R3.10622968 O=C1Nc2ccc(cc2C(=NC1O)c3ccccn3)Br Amb17615166 [1,0,0,0,0,0|1,1,0]=3 7 B22R3.11094439 Cc1ccc2c(c1)C(=NCC(=O)N2C)c3ccccc3 Amb1285986 [1,0,0,0,0,0|1,0,0]=2 8 B22R3.11094439 Nc1ccc2c(c1)C(=NCC(=O)N2C)c3ccccc3 Amb17608194 [1,0,0,0,0,0|1,0,0]=2 9 B24R3.146984223 Clc1ccc2c(c1)C(=NC(C(=O)N2C)O)c3ccccc3Cl Amb17616574 [0,1,0,0,0,0|0,0,0]=1 10 B22R2.734691 ClCC(=O)N(c1ccc(cc1C(=O)c2ccccc2)Cl)C Amb16229492 [0,0,1,0,0,0|2,0,0]=3 11 B22R3.11064001 CC=1C(=O)N(C)c2ccc(Cl)cc2C1c3ccccc3 Amb22455473 [0,0,0,0,1,0|1,0,1]=3 12 B21R2.1815 COC(=O)[C@H](N=C(c1ccccc1)c2ccccc2)C Amb2236087 [1,0,1,0,0,0|2,0,0]=4 13 B21R2.507331 CCC(=O)Nc1ccc(cc1C(=O)c2ccccc2)Cl Amb1852079 [1,0,1,0,0,0|2,0,0]=4 14 B21R2.507331 OCC(=O)Nc1ccc(cc1C(=O)c2ccccc2)Cl Amb1111050 [1,0,1,0,0,0|1,0,0]=3 15 B21R3.157575 O=C1CN=C(c2c(N1)ccc(c2)Br)c3ccccc3 Amb1286193 [2,0,0,0,0,0|0,1,0]=3 16 B21R3.157575 O=C1CN=C(c2c(N1)ccc(c2)Br)c3ccccn3 Amb17609903 [2,0,0,0,0,0|1,1,0]=4 17 B21R3.157575 O=C1CN=C(c2c(N1)ccc(c2)C)c3ccccc3 Amb1301849 [2,0,0,0,0,0|1,0,0]=3 18 B21R3.157575 O=C1CN=C(c2c(N1)ccc(c2)Cl)c3ccccc3 Amb1560113 [2,0,0,0,0,0|0,0,0]=2 19 B21R3.157575 O=C1CN=C(c2c(N1)ccc(c2)N)c3ccccc3 Amb17608198 [2,0,0,0,0,0|1,0,0]=3 20 B21R3.157575 O=C1CN=C(c2cc(Cl)ccc2N1)c3ccccc3 Amb23523161 [2,0,0,0,0,0|0,0,0]=2 21 B21R3.157575 O=C1CN=C(c2cccc[n]2)c3cc(Cl)ccc3N1 Amb22395725 [2,0,0,0,0,0|1,0,0]=3 22 B21R3.157575 O=C1CNC(c2c(N1)ccc(c2)Cl)c3ccccc3 Amb1560118 [2,0,0,0,0,0|0,0,2]=4 23 B21R3.157575 O=C1CSC(c2cc(Cl)ccc2N1)c3ccccc3 Amb19893376 [2,0,0,0,0,0|1,0,1]=4 24 B21R3.155200 CN1CCN=C(c2cc(Cl)ccc12)c3ccccc3 Amb22055659 [2,0,0,0,0,0|0,0,1]=3 25 B21R3.155200 Clc1ccc2c(c1)C(=NCCN2C)c3ccccc3 Amb2569680 [2,0,0,0,0,0|0,0,1]=3 26 B23R3.26511632 CN1C(=O)\C(=N\O)\N=C(c2ccccc12)c3ccccc3 Amb19667888 [1,1,0,0,0,0|0,0,1]=3 27 B23R3.1787901 CCC1N=C(c2ccccc2)c3c(NC1=O)ccc(c3)Br Amb1299585 [1,1,0,0,0,0|1,1,0]=4 28 B23R3.16441448 Brc1ccc2c(c1)C(=NC(C(=O)N2)C)c3ccccc3Cl Amb2583124 [1,1,0,0,0,0|1,1,0]=4 29 B23R3.16441448 Clc1ccc2c(c1)C(=NC(C(=O)N2)O)c3ccccc3Cl Amb17616572 [1,1,0,0,0,0|0,0,0]=2 30 B23R3.16441448 Clc1ccc2c(c1)C(=[15N][13CH]([13C](=O)N2)O)c3ccccc3Cl Amb17616570 [1,1,0,0,0,0|0,0,0]=2 31 B23R3.16441448 OC1N=C(c2ccccc2F)c3cc(Cl)ccc3NC1=O Amb24063221 [1,1,0,0,0,0|0,0,0]=2 32 B23R3.16441448 O[C@@H]1N=C(c2cc(Cl)ccc2NC1=O)c3ccccc3Cl Amb19132962 [1,1,0,0,0,0|0,0,0]=2 33 B23R3.2183713 CCN1C(=O)CN=C(c2cc(Cl)ccc12)c3ccccc3 Amb22054973 [1,1,0,0,0,0|0,0,0]=2 34 B23R3.17129146 CN1C(=O)CN=C(c2cc(Cl)ccc12)c3ccccc3Cl Amb22899174 [1,1,0,0,0,0|0,0,0]=2 35 B23R3.17129146 CN1C(=O)CN=C(c2cc(F)ccc12)c3ccccc3F Amb24099129 [1,1,0,0,0,0|0,1,0]=3 36 B23R3.17129146 CN1C(=O)CN=C(c2ccccc2F)c3cc(Br)ccc13 Amb22264453 [1,1,0,0,0,0|0,1,0]=3 37 B23R3.17129146 Clc1ccc2c(c1)C(=NCC(=O)N2C)c3ccccc3F Amb13889653 [1,1,0,0,0,0|0,0,0]=2 38 B23R3.17129146 Nc1ccc2c(c1)C(=NCC(=O)N2C)c3ccccc3F Amb17608072 [1,1,0,0,0,0|1,0,0]=3 39 B23R3.71757705 Oc1ccc(cc1)C2=NCC(=O)N(c3c2cc(Cl)cc3)C Amb17615297 [1,1,0,0,0,0|0,0,0]=2 40 B23R3.10380878 Brc1ccc2c(c1)C(=NCCC(=O)N2C)c3ccccc3 Amb2569676 [0,0,1,1,0,0|1,1,0]=4 41 B25R4.2911860 Clc1ccc2c(c1)C(=NC(c3n2cnn3)O)c4ccccc4 Amb17615115 [0,1,0,1,0,0|1,0,1]=4 42 B21R3.4521552 CN1C(=O)C(Br)=C(c2ccccc12)c3ccccc3 Amb19929877 [1,0,0,0,1,0|1,0,1]=4 43 B21R3.420045 NC=1C(=O)Nc2ccc(Cl)cc2C1c3ccccc3 Amb22054283 [1,0,0,0,1,0|1,0,1]=4 44 B21R3.420045 O=C1Nc2ccc(Cl)cc2C(c3ccccc3)=C1Cl Amb24068344 [1,0,0,0,1,0|1,0,1]=4 45 B21R3.420045 OC=1C(=O)Nc2ccc(Br)cc2C1c3ccccc3 Amb22472295 [1,0,0,0,1,0|0,1,1]=4