0 B12R2.509 CC1(C(=O)[C@@]2(CC[C@H]1C2)C)C Z1255402987 [0,0,0,0,0,0|0,0,0]=0 1 B12R2.509 CC1(C(=O)[C@]2(CC[C@@H]1C2)C)C Z1255427411 [0,0,0,0,0,0|0,0,0]=0 2 B12R2.509 CC12CCC(C1)C(C2=O)(C)C Z804948554 [0,0,0,0,0,0|0,0,0]=0 3 B12R2.509 CC12CCC(C1)C(C2N)(C)C Z235536768 [0,0,0,0,0,0|1,0,1]=2 4 B11R2.204 C=C1C2CCC(C2)C1(C)C Z104478010 [1,0,0,0,0,0|1,0,0]=2 5 B11R2.204 CC1(C2CCC(C2)C1N)C Z3014734826 [1,0,0,0,0,0|1,0,1]=3 6 B13R2.2794 CC12CCC(C1)C(C2C#N)(C)C Z1389061595 [0,1,0,0,0,0|1,0,1]=3 7 B11R1.1105 CN(C)C(=O)C1(CCCN1)C Z1562155965 [0,0,1,0,0,0|2,0,0]=3 8 B11R1.1322 CC1(CCCC(N1[O])(C)C)C Z1255386734 [0,0,1,0,0,0|1,0,1]=3 9 B11R1.1322 CC1(CNCC(C1O)(C)C)C Z2941175709 [0,0,1,0,0,0|1,0,2]=4 10 B10R1.6 CC(C)(C=O)C1CCCC1 Z1813208695 [1,0,1,0,0,0|0,0,0]=2 11 B10R1.6 CC(C)(C=O)C1CCCO1 Z2724068575 [1,0,1,0,0,0|1,0,0]=3 12 B10R1.6 CC(C)(C=O)C1CCOC1 Z2301244546 [1,0,1,0,0,0|1,0,0]=3 13 B10R1.6 CC(C)(C=O)N1CCCC1 Z1258980470 [1,0,1,0,0,0|1,0,0]=3 14 B10R1.6 CC(C)(CN)C1CCCC1 Z1434265756 [1,0,1,0,0,0|1,0,1]=4 15 B10R1.6 CC(C)(CO)C1CCCC1 Z1517090454 [1,0,1,0,0,0|0,0,2]=4 16 B10R1.55 CC(C)(C)C1CCC(C1)N Z1203638087 [1,0,1,0,0,0|1,0,1]=4 17 B10R1.560 CC1(CC(C(O1)(C)C)O)C Z1255488775 [1,0,1,0,0,0|2,0,0]=4 18 B10R1.119 CC1CCN(C(=O)C1N)C Z5071264854 [1,0,1,0,0,0|2,0,0]=4 19 B10R1.301 CC1(CCCC(C1=O)Cl)C Z1262482353 [1,0,1,0,0,0|1,0,0]=3 20 B10R1.301 CN1CCNC(C1=O)(C)C Z1398461606 [1,0,1,0,0,0|2,0,0]=4 21 B10R1.23 CC(C)C(=O)C1CCCN1 Z3377950289 [1,0,1,0,0,0|1,0,0]=3 22 B10R1.23 CC(Cl)C(=O)N1CCCC1 Z56917970 [1,0,1,0,0,0|2,0,0]=4 23 B10R1.23 CN(C)C(=O)C1CCCN1 Z168876638 [1,0,1,0,0,0|2,0,0]=4 24 B10R1.23 CN(C)C(=O)C1CCNC1 Z1562155929 [1,0,1,0,0,0|2,0,0]=4 25 B10R1.23 CN(C)C(=O)[C@@H]1CCCN1 Z1562155902 [1,0,1,0,0,0|2,0,0]=4 26 B10R1.370 CC(C)CC1(CCCC1)O Z449370858 [1,0,1,0,0,0|1,0,1]=4 27 B10R1.370 CC(C)CC1(CCCN1)C Z1295563367 [1,0,1,0,0,0|1,0,1]=4 28 B10R1.411 CNC(=O)C1(CCCC1)N Z1262327549 [1,0,1,0,0,0|2,0,0]=4 29 B10R1.411 COC(=O)C1(CCCC1)N Z235354625 [1,0,1,0,0,0|2,0,0]=4 30 B10R1.411 COC(=O)C1(CCNC1)C Z1095320068 [1,0,1,0,0,0|2,0,0]=4 31 B10R1.307 CC1(CCCC(C1)(C)N)C Z4351247918 [1,0,1,0,0,0|1,0,1]=4 32 B10R1.307 CC1(CCCC(C1)(C)O)C Z1229797357 [1,0,1,0,0,0|1,0,1]=4 33 B10R1.307 CC1(CCCC(N1)(C)C)C Z238876086 [1,0,1,0,0,0|1,0,0]=3 34 B10R1.307 CC1(CNCC(C1)(C)C)C Z1704732757 [1,0,1,0,0,0|1,0,1]=4 35 B10R1.307 CC1(CNCC(N1)(C)C)C Z1203732979 [1,0,1,0,0,0|2,0,0]=4 36 B10R1.307 CC1(COCC(N1)(C)C)C Z3039029029 [1,0,1,0,0,0|2,0,0]=4 37 B12R1.3844 CN(C)C(=O)C1(CCCC1)C#N Z745176220 [0,1,1,0,0,0|1,0,1]=4 38 B12R1.3844 CN(C)C(=O)C1(CCCC1)CN Z878156390 [0,1,1,0,0,0|1,0,0]=3 39 B12R1.2514 CC1(CCCC(C1CO)(C)C)C Z1896798779 [0,1,1,0,0,0|0,0,2]=4 40 B12R2.4179 CC1([C@@H]2[C@H]1C[C@](C2)(C)C=O)C Z2466329334 [0,0,1,1,0,0|0,0,0]=2 41 B12R2.254 CC(C)C1NCC12CCCC2 Z2240988403 [0,0,1,1,0,0|1,0,1]=4 42 B12R2.5106 NC1(CCCC1)C(=O)C2CC2 Z1509493575 [0,0,1,1,0,0|1,0,0]=3 43 B14R3.66385 CC12CCC3C1(CC3(C2=O)Br)C Z56768865 [0,1,0,1,0,0|1,0,0]=3 44 B10R1.315 CC1(C(=O)C(C1O)(C)C)C Z1255383074 [0,0,1,0,1,0|1,0,0]=3 45 B12R1.2679 CC(C)NC(=O)C1(CCCC1)C Z68108234 [0,0,1,0,0,1|0,0,0]=2