0 B14R1.38 CCOCCNC(=O)C1=CC=CC=C1 A50976 [1,0,0,0,0,0|2,0,0]=3 1 B14R1.123 NCCOCCOCC1=CC=CC=C1 S10508 [1,0,0,0,0,0|2,0,1]=4 2 B16R1.700 [N-]=[N+]=NC[C@H](O)COC(=O)C1=CC=CC=C1 56435 [0,1,0,0,0,0|3,0,0]=4 3 B13R1.24 C=CCCCC(=O)C1=CC=CC=C1 96853 [2,0,0,0,0,0|0,0,2]=4 4 B13R1.24 CCCCC[C@H](N)C1=CC=CC=C1 N12530 [2,0,0,0,0,0|1,0,1]=4 5 B13R1.24 NCCCNC(=O)C1=CC=CC=C1 F21154 [2,0,0,0,0,0|2,0,0]=4 6 B13R1.24 O=C(OCCCCl)C1=CC=CC=C1 N10696 [2,0,0,0,0,0|1,0,0]=3 7 B13R1.28 CCCCOCCC1=CC=CC=C1 S10144 [2,0,0,0,0,0|1,0,1]=4 8 B13R1.28 CNCCCOCC1=CC=CC=C1 C78008 [2,0,0,0,0,0|1,0,1]=4 9 B15R1.30 CCCCCCC(=O)C1=CC=C(Br)C=C1 F21440 [1,1,0,0,0,0|0,0,0]=2 10 B15R1.35 BrCCCCCCCCC1=CC=CC=C1 D86671 [1,1,0,0,0,0|1,0,1]=4 11 B15R1.35 CCCCCCCC#CC1=CC=CC=C1 T72649 [1,1,0,0,0,0|1,0,1]=4 12 B15R1.35 O=CCCCCCOCC1=CC=CC=C1 P16981 [1,1,0,0,0,0|0,0,2]=4 13 B15R1.106 CCCCCCCCC1=CC=CC(Br)=C1 T71193 [1,1,0,0,0,0|1,0,1]=4 14 B17R1.39 CCCCCCCNC(=O)C1=CC=C(N)C=C1 C15534 [0,2,0,0,0,0|1,0,0]=3 15 B15R2.1259 O=C(N[C@H]1CCOC1)C2=CC=CC=C2 F14243 [1,0,0,1,0,0|2,0,0]=4 16 B15R2.1428 CCCC[C@@H]1OC(=O)C2=C1CCC=C2 42949 [1,0,0,1,0,0|0,0,2]=4 17 B15R2.1428 CCC\C=C1/OC(=O)C2=C1C=CC=C2 F17666 [1,0,0,1,0,0|0,0,2]=4 18 B15R2.2226 N[C@H](C1=CC=CC=C1)C2CCCCC2 C77625 [1,0,0,1,0,0|1,0,1]=4 19 B15R2.2226 O=C(C1=CC=CC=C1)[C@@H]2CCCCN2 C77888 [1,0,0,1,0,0|1,0,0]=3 20 B15R2.2226 O=C(C1=CC=CC=C1)[C@H]2CCCNC2 C78303 [1,0,0,1,0,0|1,0,0]=3 21 B15R2.21 CCC1NCCOC1C2=CC=CC=C2 F50977 [1,0,0,1,0,0|1,0,1]=4 22 B15R2.122 OC[C@@H]1C[C@@H]1COCC2=CC=CC=C2 F50001 [1,0,0,1,0,0|1,0,1]=4 23 B15R2.122 OC[C@H]1C[C@@H]1COCC2=CC=CC=C2 D85756 [1,0,0,1,0,0|1,0,1]=4 24 B15R2.122 OC[C@H]1C[C@@H]1COCC2=CC=CC=C2 F50002 [1,0,0,1,0,0|1,0,1]=4 25 B15R2.342 O[C@H]1CC[C@@H]1COCC2=CC=CC=C2 D79250 [1,0,0,1,0,0|1,0,1]=4 26 B15R2.2195 C1=CC=C(CO[C@H]2CCCNC2)C=C1 D87800 [1,0,0,1,0,0|1,0,1]=4 27 B17R2.45575 O=C(CC1=CC=CC=C1)N2CCCNCC2 F21091 [0,0,0,1,0,1|2,0,0]=4 28 B17R2.45575 O=C(NC1=CC=CC=C1)N2CCCNCC2 F21184 [0,0,0,1,0,1|2,0,0]=4 29 B17R2.18474 O=C(CC(=O)C1CCCC1)C2=CC=CC=C2 E71582 [0,1,0,1,0,0|1,0,1]=4 30 B17R2.192 O=C(NC1CCCCC1)C2=CC=C(O)C=C2 W18812 [0,1,0,1,0,0|1,0,0]=3 31 B17R2.192 O=C(NC1CCNCC1)C2=CC=C(Cl)C=C2 C78428 [0,1,0,1,0,0|2,0,0]=4 32 B17R2.3190 O=C(C1=CC=C(Cl)C=C1)N2CCC[C@@H]2CO V10351 [0,1,0,1,0,0|2,0,0]=4 33 B17R2.3190 O=C(C1=CC=C(Cl)C=C1)N2CCC[C@@H]2CO V10352 [0,1,0,1,0,0|2,0,0]=4 34 B17R2.56621 O=C(C1=CC=C(Cl)C=C1)N2CCCNCC2 F21183 [0,1,0,1,0,0|2,0,0]=4 35 B17R2.5273 O=C(NC1CCNCC1)C2=CC=CC(Br)=C2 C78265 [0,1,0,1,0,0|2,0,0]=4 36 B17R2.5273 O=C(NC1CCNCC1)C2=CC=CC(Cl)=C2 C78264 [0,1,0,1,0,0|2,0,0]=4 37 B17R2.10205 CN(C(=O)C1=CC=CC=C1)C2CCNCC2 AT26780 [0,1,0,1,0,0|2,0,0]=4 38 B17R2.24146 O=C1CCCN(C(=O)C2=CC=CC=C2)CC1 36721 [0,1,0,1,0,0|1,0,1]=4 39 B17R3.1109591 O=C1OC2(CCNCC2)C3=C1C=CN=C3 C91115 [0,0,0,2,0,0|2,0,0]=4 40 B17R3.1109591 O=C1OC2(CCNCC2)C3=C1C=NC=C3 72397 [0,0,0,2,0,0|2,0,0]=4 41 B17R3.1109591 O=C1OC2(CCNCC2)C3=C1C=NC=C3 W10123 [0,0,0,2,0,0|2,0,0]=4 42 B17R1.1287 O=C(NCCCCCBr)OCC1=CC=CC=C1 97998 [0,0,0,0,0,2|2,0,0]=4