0 B10R1.21 CCCCCN1C=CN=C1 MC443761 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.21 OCCCCN1C=CC=N1 MC103358 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.21 OCCCCN1C=NC=N1 MC103361 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.12 CCCCC1C=CC=C1 MC114482 [1,0,0,0,0,0|1,0,1]=3 4 B9R1.12 CCOCC1=CC=CO1 CS17009 [1,0,0,0,0,0|1,0,0]=2 5 B9R1.12 OCCCC1=CN=CN1 MC443843 [1,0,0,0,0,0|3,0,0]=4 6 B11R1.4 CCCCCCC1=CC=CS1 CS21710 [0,1,0,0,0,0|0,1,0]=2 7 B11R1.4 CCCCCCC1=CSC=C1 CS22304 [0,1,0,0,0,0|2,0,0]=3 8 B11R1.29 CNCCC(O)C1=CC=CS1 CS20305 [0,1,0,0,0,0|1,1,0]=3 9 B11R1.29 CNCCC(O)C1=CC=CS1 MC445533 [0,1,0,0,0,0|1,1,0]=3 10 B11R1.172 O=C(O)CCCC1=CC=CS1 MC443875 [0,1,0,0,0,0|1,1,1]=4 11 B9R0.45 C=COOOCCCCC MC438071 [0,0,1,0,0,0|2,0,0]=3 12 B11R2.18 C1=C2CCNCCC2=NN1 CS17231 [0,0,0,1,0,0|3,0,0]=4 13 B11R2.18 C1=NC2=C(CCNCC2)N1 MC106432 [0,0,0,1,0,0|3,0,0]=4 14 B11R1.28 BrCCCOC1=CC=CC=C1 CS15031 [0,0,0,0,0,1|3,0,0]=4 15 B11R1.28 BrCCOCC1=CC=CC=C1 CS10998 [0,0,0,0,0,1|3,0,0]=4 16 B11R1.28 CNCCCC1=CC=CC=C1 MC425598 [0,0,0,0,0,1|2,0,0]=3 17 B11R1.28 CNCCCC1=NC=CC=C1 MC430496 [0,0,0,0,0,1|2,0,0]=3 18 B11R1.28 NCCOCC1=CC=CC=C1 CS20892 [0,0,0,0,0,1|3,0,0]=4 19 B11R1.28 OCCCCC1=CC=CC=C1 CS11170 [0,0,0,0,0,1|2,0,0]=3 20 B11R1.28 OCCCCC1=CC=NC=C1 CS13477 [0,0,0,0,0,1|2,0,0]=3 21 B11R1.28 OCCOCC1=CC=CC=C1 MC20071 [0,0,0,0,0,1|3,0,0]=4 22 B8R0.4 CCC\C=C\C=C\CO CS17006 [1,0,1,0,0,0|0,0,2]=4 23 B8R1.8 CCCC1=NC=CN1 CS14621 [2,0,0,0,0,0|2,0,0]=4 24 B8R1.8 OCCC1=CC=CS1 CS14939 [2,0,0,0,0,0|1,1,0]=4 25 B10R0.4 CCCCCC\C=C\B(O)O MC425764 [0,1,1,0,0,0|1,0,1]=4 26 B10R0.71 C=COOOCCCCCC MC437734 [0,1,1,0,0,0|1,0,1]=4 27 B10R1.11 CCOC(=O)C1=CC=CO1 MC10319 [1,1,0,0,0,0|1,0,1]=4 28 B10R1.11 OC(CCCl)C1=CC=CS1 MC114890 [1,1,0,0,0,0|1,1,0]=4 29 B10R1.16 CC1=NOC(CCCO)=C1 CS22362 [1,1,0,0,0,0|2,0,0]=4 30 B10R1.66 CC(C)CCN1C=CC=N1 MC107613 [1,1,0,0,0,0|2,0,0]=4 31 B10R1.66 O=C(O)CCC1=CC=CO1 MC41688 [1,1,0,0,0,0|1,0,1]=4 32 B12R1.8 BrCCCOCC1=CC=CC=C1 CS10023 [0,1,0,0,0,1|2,0,0]=4 33 B12R1.8 CCCCCCC1=CC=NC=C1 CS17088 [0,1,0,0,0,1|1,0,0]=3 34 B12R1.8 CNCCNCC1=CC=CC=C1 MC107809 [0,1,0,0,0,1|2,0,0]=4 35 B12R1.8 NCCCNCC1=CC=CC=C1 CS11742 [0,1,0,0,0,1|2,0,0]=4 36 B12R1.8 OCCCCCC1=CC=CC=C1 MC443206 [0,1,0,0,0,1|1,0,0]=3 37 B12R1.28 CCCCOC1=CC=CC(O)=C1 MC445596 [0,1,0,0,0,1|2,0,0]=4 38 B12R1.252 CC(O)COCC1=CC=CC=C1 CS20248 [0,1,0,0,0,1|2,0,0]=4 39 B12R1.372 CCCCCCC1=C(Br)SC=C1 CS21339 [0,2,0,0,0,0|2,0,0]=4 40 B12R1.54 CN(C)CCC(O)C1=CC=CS1 CS13602 [0,2,0,0,0,0|1,1,0]=4 41 B12R1.54 CN(C)CCC(O)C1=CC=CS1 MC445538 [0,2,0,0,0,0|1,1,0]=4 42 B10R2.7 C1=CC2=C(CCNC2)O1 MC442759 [1,0,0,1,0,0|1,0,0]=3 43 B10R2.7 C1=CC2=C(CCNC2)S1 CS20419 [1,0,0,1,0,0|1,1,0]=4 44 B10R2.7 C1=CC2=C(CNCC2)O1 MC442758 [1,0,0,1,0,0|1,0,0]=3 45 B10R2.7 C1=CC2=C(CNCC2)S1 CS22489 [1,0,0,1,0,0|1,1,0]=4 46 B10R2.7 C1=NC2=C(CCCC2)N1 CS22485 [1,0,0,1,0,0|2,0,0]=4 47 B12R2.1 CNC1CCC2=CC=CC=C21 MC431440 [0,0,0,1,0,1|2,0,0]=4 48 B12R2.2 C1=CC(C2CCCN2)=CC=N1 MC425217 [0,0,0,1,0,1|2,0,0]=4 49 B12R2.2 C1=CC(C2CCNC2)=NC=N1 MC430224 [0,0,0,1,0,1|2,0,0]=4 50 B12R2.2 C1=CC(N2CCCC2)=CC=N1 CS14007 [0,0,0,1,0,1|2,0,0]=4 51 B12R2.2 C1=CC=C(C2CCCN2)C=C1 CS11140 [0,0,0,1,0,1|2,0,0]=4 52 B12R2.2 C1=CC=C(C2CCCN2)C=C1 CS17953 [0,0,0,1,0,1|2,0,0]=4 53 B12R2.2 C1=CC=C(C2CCCN2)C=C1 MC105777 [0,0,0,1,0,1|2,0,0]=4 54 B12R2.2 C1=CC=C(C2CCNC2)C=C1 MC106676 [0,0,0,1,0,1|2,0,0]=4 55 B12R2.2 C1=CN=CC(C2CCCN2)=C1 CS21193 [0,0,0,1,0,1|2,0,0]=4 56 B12R2.2 C1=CN=CC(C2CCNC2)=C1 MC106144 [0,0,0,1,0,1|2,0,0]=4 57 B12R2.41 C1=CC2=C(C=C1)CCNCC2 MC434053 [0,0,0,1,0,1|2,0,0]=4 58 B12R2.41 C1=CC2=C(C=C1)CNCCC2 CS12567 [0,0,0,1,0,1|2,0,0]=4 59 B12R2.41 C1=CC2=C(C=C1)NCCCC2 CS18041 [0,0,0,1,0,1|2,0,0]=4 60 B12R2.1081 CC1CCNC2=CC=CC=C21 CS17518 [0,0,0,1,0,1|2,0,0]=4 61 B12R2.1081 CC1CNCC2=CC=CC=C21 CS17240 [0,0,0,1,0,1|2,0,0]=4 62 B12R2.1081 CC1NCCC2=CC=CC=C21 CS12178 [0,0,0,1,0,1|2,0,0]=4 63 B12R2.1081 CC1NCCC2=CC=CC=C21 CS15270 [0,0,0,1,0,1|2,0,0]=4 64 B12R2.1081 NC1CCCC2=C1C=CC=N2 MC103512 [0,0,0,1,0,1|2,0,0]=4 65 B12R2.1081 NC1CCCC2=C1N=CC=C2 CS18224 [0,0,0,1,0,1|2,0,0]=4 66 B12R2.1081 NC1CCCC2=C1N=CC=N2 CS15912 [0,0,0,1,0,1|2,0,0]=4 67 B12R2.1081 NC1CCCC2=CC=CC=C21 CS13980 [0,0,0,1,0,1|2,0,0]=4 68 B12R2.1081 OC1CCCC2=C1N=CC=C2 CS18737 [0,0,0,1,0,1|2,0,0]=4 69 B12R2.2057 C1=CC(OCC2CC2)=NC=N1 CS13034 [0,0,0,1,0,1|2,0,0]=4 70 B12R2.10 NC1=CC=NN1C2CCCC2 MC33236 [0,1,0,1,0,0|2,0,0]=4