0 B15R2.1428 CCCCC1OC(=O)C2=CCCCC21 42909 [0,0,0,0,0,0|0,0,4]=4 1 B15R2.1428 CCCC[C@@H]1OC(=O)C2=C1CCC=C2 42949 [0,0,0,0,0,0|0,0,2]=2 2 B15R2.1428 CCC\C=C1/OC(=O)C2=C1C=CC=C2 F17666 [0,0,0,0,0,0|0,0,2]=2 3 B14R1.38 CCOCCNC(=O)C1=CC=CC=C1 A50976 [0,0,1,0,0,0|2,0,0]=3 4 B14R1.903 COCCOC1=C(C(=O)O)C=CC=C1 S11266 [0,0,1,0,0,0|2,0,0]=3 5 B14R1.903 NCCCOC1=C(C(=O)O)C=CC=C1 F50629 [0,0,1,0,0,0|2,0,0]=3 6 B14R1.903 NCCCOC1=C(C(N)=O)C=CC=C1 AC2688 [0,0,1,0,0,0|3,0,0]=4 7 B14R1.939 CCCC[C@H](N)C1=C(CO)C=CC=C1 Y13014 [0,0,1,0,0,0|1,0,2]=4 8 B16R3.180227 O=C1O[C@]2(CCNC2)C3=C1C=CC=C3 58033 [0,0,0,1,0,0|1,0,0]=2 9 B16R3.180227 O=C1O[C@]2(CCNC2)C3=CC=CN=C13 58031 [0,0,0,1,0,0|2,0,0]=3 10 B13R1.24 C=CCCCC(=O)C1=CC=CC=C1 96853 [1,0,1,0,0,0|0,0,2]=4 11 B13R1.24 CCCCC[C@H](N)C1=CC=CC=C1 N12530 [1,0,1,0,0,0|1,0,1]=4 12 B13R1.24 NCCCNC(=O)C1=CC=CC=C1 F21154 [1,0,1,0,0,0|2,0,0]=4 13 B13R1.24 O=C(OCCCCl)C1=CC=CC=C1 N10696 [1,0,1,0,0,0|1,0,0]=3 14 B13R1.28 CNCCCOCC1=CC=CC=C1 C78008 [1,0,1,0,0,0|1,0,1]=4 15 B13R1.572 NCCNC1=C(C(=O)O)C=CC=C1 FD10561 [1,0,1,0,0,0|2,0,0]=4 16 B13R1.572 O=C(O)C1=C(OCCF)C=CC=C1 AT21996 [1,0,1,0,0,0|2,0,0]=4 17 B13R2.2931 CO[IH2]1OC(=O)C2=C1C=CC=C2 S11240 [2,0,0,0,0,0|2,0,0]=4 18 B15R1.30 CCCCCCC(=O)C1=CC=C(Br)C=C1 F21440 [0,1,1,0,0,0|1,0,0]=3 19 B15R2.1259 O=C(N[C@H]1CCOC1)C2=CC=CC=C2 F14243 [0,0,1,1,0,0|2,0,0]=4 20 B15R2.2226 O=C(C1=CC=CC=C1)[C@@H]2CCCCN2 C77888 [0,0,1,1,0,0|2,0,0]=4 21 B15R2.2226 O=C(C1=CC=CC=C1)[C@H]2CCCNC2 C78303 [0,0,1,1,0,0|2,0,0]=4 22 B15R2.94 C[C@H]1OC[C@@H](C2=CC=CC=C2)NC1=O 83567 [0,0,1,1,0,0|2,0,0]=4 23 B15R2.16319 O=C(O)C1=C(OCC2CC2)C=CC=C1 A50625 [0,0,1,1,0,0|1,0,0]=3 24 B15R2.69020 O=C(O)C1=C2OCCOCC2=CC=C1 F53127 [0,0,1,1,0,0|2,0,0]=4 25 B15R3.3 C1=CC2=C(C=C1)N3CCCCC3=C2 F14438 [1,0,0,1,0,0|2,0,0]=4 26 B15R3.1737 C1=CC2=C(C=C1)N(CC3CC3)C=C2 D86269 [1,0,0,1,0,0|2,0,0]=4 27 B17R3.35227 O=C1C2=C(C=CC=C2)N=C3CCCCN13 98588 [0,0,0,1,0,1|1,0,1]=4 28 B17R3.1109591 C[C@@H]1OC2(CCNCC2)C3=C1C=CC=C3 80878 [0,1,0,1,0,0|1,0,1]=4 29 B17R3.1109591 O=C1OC2(CCNCC2)C3=C1C=CN=C3 C91115 [0,1,0,1,0,0|1,0,0]=3 30 B17R3.1109591 O=C1OC2(CCNCC2)C3=C1C=NC=C3 72397 [0,1,0,1,0,0|1,0,0]=3 31 B17R3.1109591 O=C1OC2(CCNCC2)C3=C1C=NC=C3 W10123 [0,1,0,1,0,0|1,0,0]=3