0 B24R3.35537435 CCCCC=1C(=O)[n]2[n]c(C)c(c2NC1C)-c3ccccc3 Amb19546095 [0,0,0,0,0,0|0,0,0]=0 1 B23R3.13453939 CCCC=1C(=O)[n]2[n]c(C)c(c2NC1C)-c3ccccc3 Amb19542405 [1,0,0,0,0,0|0,0,0]=1 2 B23R3.13453939 Cc1[n][n]2C(=O)C(CCO)=C(C)Nc2c1-c3ccccc3 Amb19807499 [1,0,0,0,0,0|1,0,0]=2 3 B25R3.41016594 CCCCC=1C(=O)[n]2[n]c(C)c(c2NC1C)-c3ccc(Cl)cc3 Amb19765048 [0,1,0,0,0,0|0,0,0]=1 4 B25R3.41016594 CCCCc1c(C)nc2n(c1O)nc(c2c3ccc(cc3)Cl)C Amb2448239 [0,1,0,0,0,0|0,0,2]=3 5 B25R3.61545296 Cc1[n][n]2c(NC(C)=C(CCC(O)=O)C2=O)c1-c3ccccc3 Amb19389663 [0,1,0,0,0,0|1,0,1]=3 6 B25R3.68302848 CCCCCC=1C(=O)[n]2[n]c(C)c(c2NC1C)-c3ccccc3 Amb19765045 [0,1,0,0,0,0|0,0,0]=1 7 B25R3.299641297 COC(=O)CC=1C(=O)[n]2[n]c(C)c(c2NC1C)-c3ccccc3 Amb19546617 [0,1,0,0,0,0|1,0,1]=3 8 B23R3.23336324 CCCCc1c(C)[nH]c2n(c1=O)nc(c2c3cccs3)C Amb2110482 [0,0,0,0,1,0|1,0,0]=2 9 B22R3.4924223 CCC=1C(=O)[n]2[n]c(C)c(c2NC1C)-c3ccccc3 Amb19546007 [2,0,0,0,0,0|0,0,0]=2 10 B22R3.4924223 CCc1c(C)nc2n(c1O)nc(c2c3ccccc3)C Amb1018026 [2,0,0,0,0,0|0,0,2]=4 11 B22R3.4924223 CCc1c(C)nc2n(c1S)nc(c2c3ccccc3)C Amb2569127 [2,0,0,0,0,0|0,1,1]=4 12 B22R3.4924223 CCc1c(Cl)[n]2[n]c(C)c(c2[n]c1C)-c3ccccc3 Amb19320772 [2,0,0,0,0,0|1,0,1]=4 13 B24R3.32590388 Cc1[n][n]2c(NC=C(C2=O)C(=O)OCC)c1-c3ccccc3 Amb19389626 [1,1,0,0,0,0|1,0,1]=4 14 B24R3.26420309 CC=1Nc2c(c[n][n]2C(=O)C1CCC(O)=O)-c3ccccc3 Amb19281913 [1,1,0,0,0,0|1,0,1]=4 15 B24R3.19916492 CC=1Nc2c(c(CC)[n][n]2C(=O)C1CCO)-c3ccccc3 Amb20226273 [1,1,0,0,0,0|1,0,0]=3 16 B24R3.19918040 CCCC=1C(=O)[n]2[n]c(C)c(c2NC1C)-c3ccc(Cl)cc3 Amb19547059 [1,1,0,0,0,0|0,0,0]=2 17 B24R3.19918040 Cc1[n][n]2C(=O)C(CC=C)=C(C)Nc2c1-c3ccc(Cl)cc3 Amb19549835 [1,1,0,0,0,0|0,0,2]=4 18 B24R3.19918040 Cc1[n][n]2c(NC(C)=C(CCO)C2=O)c1-c3ccc(Cl)cc3 Amb20226258 [1,1,0,0,0,0|1,0,0]=3 19 B24R3.19918040 Cc1[n][n]2c(NC(C)=C(CCO)C2=O)c1-c3ccc(F)cc3 Amb19548411 [1,1,0,0,0,0|1,0,0]=3 20 B24R3.19918040 OCCc1c(C)[nH]c2n(c1=O)nc(c2c3ccc(cc3)Br)C Amb2110264 [1,1,0,0,0,0|1,0,0]=3 21 B24R3.19918042 Cc1[n][n]2C(=O)C(CC=C)=C(C)Nc2c1-c3cc(Cl)ccc3 Amb19548947 [1,1,0,0,0,0|0,0,2]=4 22 B24R3.135078145 Cc1[n][n]2c(NC(C)=C(CC(O)=O)C2=O)c1-c3ccccc3 Amb19862771 [1,1,0,0,0,0|1,0,1]=4 23 B26R3.340372949 N#CCCc1c(C)[nH]c2n(c1=O)nc(c2c3ccccc3OC)C Amb2110261 [0,2,0,0,0,0|1,0,1]=4 24 B26R3.50804170 N#CCCc1c(C)[nH]c2n(c1=O)nc(c2c3ccc(cc3)F)CC Amb2110262 [0,2,0,0,0,0|1,0,1]=4 25 B26R3.391324466 CC=1Nc2c(c(CC)[n][n]2C(=O)C1CCC(O)=O)-c3ccccc3 Amb19748321 [0,2,0,0,0,0|1,0,1]=4 26 B26R3.391324479 CC=1Nc2c(c(CC)[n][n]2C(=O)C1CC(=O)OC)-c3ccccc3 Amb19547868 [0,2,0,0,0,0|1,0,1]=4 27 B26R3.50804169 CCCCC=1C(=O)[n]2[n]c(C)c(c2NC1C)-c3ccc(cc3)OC Amb19547044 [0,2,0,0,0,0|0,0,0]=2 28 B26R3.146139583 Cc1[n][n]2C(=O)C(CCC(C)C)=C(C)Nc2c1-c3ccc(Cl)cc3 Amb19764018 [0,2,0,0,0,0|0,0,0]=2 29 B26R3.146139583 Cc1[n][n]2C(=O)C(CCC(C)C)=C(C)Nc2c1-c3ccc(F)cc3 Amb19763951 [0,2,0,0,0,0|0,0,0]=2 30 B26R3.146139583 Cc1[n][n]2c(NC(C)=C(CCC(O)=O)C2=O)c1-c3ccc(Cl)cc3 Amb22009017 [0,2,0,0,0,0|1,0,1]=4 31 B26R3.355955111 COC(=O)CC=1C(=O)[n]2[n]c(C)c(c2NC1C)-c3ccc(Br)cc3 Amb20654964 [0,2,0,0,0,0|1,0,1]=4 32 B26R3.384635148 Cc1[n][n]2c(NC(C)=C(CCC(=O)OC)C2=O)c1-c3ccccc3 Amb20299498 [0,2,0,0,0,0|0,0,1]=3 33 B26R3.315152142 CCOC(=O)CC=1C(=O)[n]2[n]c(C)c(c2NC1C)-c3ccccc3 Amb19544450 [0,2,0,0,0,0|0,0,1]=3 34 B24R4.16871895 Cc1[n][n]2C(=O)C=3CCCCC3Nc2c1-c4ccccc4 Amb19762903 [1,0,0,1,0,0|0,0,0]=2 35 B22R3.8820965 CCCc1c(C)[nH]c2n(c1=O)nc(c2c3cccs3)C Amb2110481 [1,0,0,0,1,0|1,0,0]=3