0 B18R3.566129 O=C1CCC2N1CCC3=C2C=C(C(=C3)O)O MCULE-5933715531 [0,0,0,0,0,0|0,0,0]=0 1 B17R2.357666 [C@H]1(CC2=CC(=C(C=C2CN1)O)O)C(=O)OC MCULE-7782935464 [0,0,1,0,0,0|3,0,0]=4 2 B16R2.2327 COC1=CC(=CC=C1[C@@H]2CNC(=O)N2)O MCULE-3338246556 [1,0,1,0,0,0|2,0,0]=4 3 B16R2.2327 COC1=CC(=CC=C1[C@@H]2COC(=O)N2)O MCULE-6670705833 [1,0,1,0,0,0|2,0,0]=4 4 B16R2.2327 COC1=CC(=CC=C1[C@@H]2COC(=O)N2)O MCULE-8408626256 [1,0,1,0,0,0|2,0,0]=4 5 B16R2.2327 COC1=CC(=CC=C1[C@H]2CNC(=O)N2)O MCULE-7602706451 [1,0,1,0,0,0|2,0,0]=4 6 B16R2.2327 COC1=CC(=CC=C1[C@H]2COC(=O)N2)O MCULE-3963840198 [1,0,1,0,0,0|2,0,0]=4 7 B16R2.2327 COC1=CC(=CC=C1[C@H]2COC(=O)N2)O MCULE-6464416204 [1,0,1,0,0,0|2,0,0]=4 8 B16R2.1067 NC1=CC=C(C=C1)CCN2CCOC2=O MCULE-9208938851 [1,0,1,0,0,0|2,0,0]=4 9 B16R2.116046 CC=CC1NCCC2=CC(=C(C=C12)O)O MCULE-5364727884 [1,0,1,0,0,0|1,0,1]=4 10 B16R2.116046 CC=CC1NCCC2=CC(=C(C=C12)O)O MCULE-9376828062 [1,0,1,0,0,0|1,0,1]=4 11 B16R2.1205 CCC(=O)N1CCC2=C(C1)C=C(C=C2)N MCULE-9347359056 [1,0,1,0,0,0|1,0,0]=3 12 B16R2.1205 COC(=O)N1CCC2=C(C1)C=C(C=C2)N MCULE-4805823060 [1,0,1,0,0,0|2,0,0]=4 13 B18R2.93340 O=C1CNC(=S)N1CCC2=CC=C(C(=C2)O)O MCULE-9732383265 [0,1,1,0,0,0|1,0,1]=4 14 B18R2.104252 CCC(=O)N1CCC2=CC(=C(C=C2C1)O)OC MCULE-6149978631 [0,1,1,0,0,0|0,0,0]=2 15 B16R1.15312 NCCC(=O)NCCC1=CC=C(C(=C1)O)O MCULE-1076195568 [0,0,2,0,0,0|1,0,0]=3 16 B16R1.15312 NCCC(=O)NCCC1=CC=C(C(=C1)O)O MCULE-4558384551 [0,0,2,0,0,0|1,0,0]=3 17 B16R2.4011 O=C1CCCN1CC2=CC(=C(C=C2)Br)F MCULE-3742029559 [0,0,1,0,1,0|2,0,0]=4 18 B18R3.415488 C=C1CNCC2N1CCC3=C2C=C(C=C3)C MCULE-4166293638 [1,0,0,0,0,1|2,0,0]=4 19 B18R3.415488 CC1=CC2=C(C=C1)CCN3C2CNCC3=O MCULE-9951321975 [1,0,0,0,0,1|1,0,0]=3 20 B18R3.415488 O=C1CNCC2N1CCC3=CC=C(C=C23)Cl MCULE-1962510318 [1,0,0,0,0,1|1,0,0]=3 21 B15R1.11 CCCC(=O)NCCC1=CC=C(C=C1)F MCULE-9322264982 [1,0,2,0,0,0|1,0,0]=4 22 B15R1.11 CCNC(=O)NCCC1=CC=C(C=C1)O MCULE-1051141683 [1,0,2,0,0,0|1,0,0]=4 23 B15R1.11 CCOC(=O)CCCC1=CC=C(C=C1)O MCULE-2465638611 [1,0,2,0,0,0|1,0,0]=4 24 B15R1.11 CCOC(=O)NCCC1=CC=C(C=C1)O MCULE-4244170233 [1,0,2,0,0,0|1,0,0]=4 25 B15R1.633 CCCC(=O)NCCC1=CC(=CC=C1)Cl MCULE-4867814636 [1,0,2,0,0,0|1,0,0]=4 26 B15R1.633 CCOC(=O)CCCC1=CC=CC(=C1)O MCULE-5206961794 [1,0,2,0,0,0|1,0,0]=4 27 B15R2.299 O=C1NC[C@@H](N1)C2=CC=C(C(=C2)O)O MCULE-6277330244 [2,0,1,0,0,0|1,0,0]=4 28 B15R2.299 O=C1NC[C@H](N1)C2=CC=C(C(=C2)O)O MCULE-3381015313 [2,0,1,0,0,0|1,0,0]=4 29 B15R2.299 O=C1N[C@@H](CO1)C2=CC=C(C(=C2)O)O MCULE-4837906494 [2,0,1,0,0,0|1,0,0]=4 30 B15R2.299 O=C1N[C@@H](CO1)C2=CC=C(C(=C2)O)O MCULE-9707858312 [2,0,1,0,0,0|1,0,0]=4 31 B15R2.299 O=C1N[C@H](CO1)C2=CC=C(C(=C2)O)O MCULE-4595988362 [2,0,1,0,0,0|1,0,0]=4 32 B15R2.299 O=C1N[C@H](CO1)C2=CC=C(C(=C2)O)O MCULE-8286689439 [2,0,1,0,0,0|1,0,0]=4 33 B15R2.2349 CCN1C(=O)CCC1C2=CC=CN=C2 MCULE-5206276698 [2,0,1,0,0,0|1,0,0]=4 34 B15R2.55 O=C1CCCC1CCC2=CC=CC=C2 MCULE-1349704090 [2,0,1,0,0,0|1,0,0]=4 35 B15R2.55 O=C1CCCN1CCC2=CC=CC=C2 MCULE-5048781896 [2,0,1,0,0,0|0,0,0]=3 36 B15R2.55 O=C1CCCN1CCC2=NC=CC=C2 MCULE-4050426616 [2,0,1,0,0,0|1,0,0]=4 37 B15R2.7174 CC(=O)N1CCC2=C(C1)C=C(C=C2)Br MCULE-6737019421 [2,0,1,0,0,0|1,0,0]=4 38 B15R2.7174 CC(=O)N1CCC2=C(C1)C=C(C=C2)N MCULE-3926073268 [2,0,1,0,0,0|1,0,0]=4 39 B15R2.7180 CC(=O)N1CCC2=C(C1)C=CC(=C2)N MCULE-8318103910 [2,0,1,0,0,0|1,0,0]=4 40 B15R2.7180 CC(=O)N1CCC2=CC(=NC=C2C1)O MCULE-5459718451 [2,0,1,0,0,0|1,0,0]=4 41 B15R2.86973 CCC1NCCC2=CC(=C(C=C12)O)O MCULE-1113464746 [2,0,1,0,0,0|0,0,0]=3 42 B15R2.86973 CCC1NCCC2=CC(=C(C=C12)O)O MCULE-1456601874 [2,0,1,0,0,0|0,0,0]=3 43 B15R2.1601 COC(=O)N1CCC2=C(C1)C=CC=C2 MCULE-6370509451 [2,0,1,0,0,0|1,0,0]=4 44 B15R2.1601 NCC(=O)N1CCC2=C(C1)C=CC=C2 MCULE-2097120630 [2,0,1,0,0,0|1,0,0]=4 45 B15R2.1601 NCC(=O)N1CCC2=C(C1)C=CC=C2 MCULE-9594492847 [2,0,1,0,0,0|1,0,0]=4 46 B15R2.1601 O=C(CBr)N1CCC2=CC=CC=C2C1 MCULE-2540409203 [2,0,1,0,0,0|1,0,0]=4 47 B15R2.1601 O=C(CCl)N1CCC2=C(C1)C=CC=C2 MCULE-2979890300 [2,0,1,0,0,0|1,0,0]=4 48 B15R2.1601 O=C(CO)N1CCC2=C(C1)C=CC=C2 MCULE-6417458434 [2,0,1,0,0,0|1,0,0]=4 49 B15R3.1739 C1=CC2=C(C=C1)C3CCCN3CC2 MCULE-5894654448 [3,0,0,0,0,0|0,0,1]=4 50 B17R2.498 NC1CC(=O)N(C1)CCC2=CC=C(C=C2)F MCULE-8452673737 [1,1,1,0,0,0|1,0,0]=4 51 B17R2.41894 NC1CC(=O)N(C1)CCC2=CC=CC(=C2)Cl MCULE-2261630140 [1,1,1,0,0,0|1,0,0]=4 52 B17R2.17963 CCC1C2=C(C=C(C=C2)C)CCN1C(=O)C MCULE-3553128099 [1,1,1,0,0,0|1,0,0]=4 53 B17R2.6194 CCOC(=O)N1CCC2=C(C1)C=C(C=C2)N MCULE-7094265769 [1,1,1,0,0,0|1,0,0]=4 54 B17R2.6194 CCOC(=O)N1CCC2=CC=C(C=C2C1)N MCULE-1502589444 [1,1,1,0,0,0|1,0,0]=4 55 B17R2.19728 CC(C)C(=O)N1CCC2=C(C1)C=C(C=C2)N MCULE-3404887830 [1,1,1,0,0,0|1,0,0]=4 56 B17R2.9454 COC1=CC=C(C=C1F)CN2CCCC2=O MCULE-9490179985 [0,1,1,0,1,0|1,0,0]=4 57 B19R2.14351 COC1=C(C=C2C(=C1)CCN(C2C)C(=O)C)OC MCULE-1361991563 [0,2,1,0,0,0|0,0,0]=3 58 B19R2.13797 COC1=C(C=C2CN(CCC2=C1)C(=O)CCl)OC MCULE-7670075684 [0,2,1,0,0,0|1,0,0]=4 59 B21R3.62662924 COC1=C(C=C2C(=C1)CCN3C2(SCC3=O)C)OC MCULE-7912700304 [0,3,0,0,0,0|1,0,0]=4 60 B17R2.56712 O=C(NCCC1=CC(=C(C=C1)O)O)C2CC2 MCULE-4638984506 [0,0,2,1,0,0|0,0,0]=3 61 B15R2.1510 NC1=CC=C(C=C1)CN2CCCC2=O MCULE-1773415218 [1,0,1,0,1,0|1,0,0]=4 62 B15R2.1510 O=C1CCCN1CC2=CC=C(C=C2)Br MCULE-2825572640 [1,0,1,0,1,0|1,0,0]=4 63 B15R2.1510 O=C1CCCN1CC2=CC=C(C=C2)Cl MCULE-9101142230 [1,0,1,0,1,0|1,0,0]=4 64 B15R2.1510 O=C1CCCN1CC2=CC=C(C=C2)I MCULE-1435239762 [1,0,1,0,1,0|1,0,0]=4 65 B15R2.335 NC1=CC(=CC=C1)CN2CCCC2=O MCULE-1383823782 [1,0,1,0,1,0|1,0,0]=4 66 B15R2.8200 CC(=O)N1CCC2=CC(=C(C=C12)Br)O MCULE-2645778218 [1,0,1,0,1,0|1,0,0]=4 67 B15R2.79417 CCC(=O)N1CCC2=C1C=C(C=C2)N MCULE-2465176848 [1,0,1,0,1,0|1,0,0]=4 68 B15R2.19094 CCC(=O)N1CCC2=CC(=CC=C12)Br MCULE-1572462974 [1,0,1,0,1,0|1,0,0]=4 69 B17R2.2504 COC1=CC(=CC=C1[C@@H]2CCOC(=O)N2)O MCULE-2009749512 [1,0,1,0,0,1|1,0,0]=4 70 B17R2.2504 COC1=CC(=CC=C1[C@@H]2CCOC(=O)N2)O MCULE-9014793769 [1,0,1,0,0,1|1,0,0]=4 71 B17R2.2504 COC1=CC(=CC=C1[C@H]2CCOC(=O)N2)O MCULE-1290251861 [1,0,1,0,0,1|1,0,0]=4 72 B17R2.2504 COC1=CC(=CC=C1[C@H]2CCOC(=O)N2)O MCULE-7523147730 [1,0,1,0,0,1|1,0,0]=4 73 B17R2.3278 O=C1CCCN1CCOC2=CC=C(C=C2)I MCULE-6650089405 [1,0,1,0,0,1|1,0,0]=4 74 B17R2.57287 CCC(=O)N1CCOC2=C(C1)C=C(C=C2)F MCULE-7906471603 [1,0,1,0,0,1|1,0,0]=4 75 B17R3.4465 O=C1CNCC2N1CCC3=C2C=CC=C3 MCULE-6615825443 [2,0,0,0,0,1|0,0,0]=3 76 B17R3.4465 O=C1CNCC2N1CCC3=CC=CC=C23 MCULE-6258284070 [2,0,0,0,0,1|0,0,0]=3 77 B17R3.4465 O=C1CNC[C@@H]2N1CCC3=C2C=CC=C3 MCULE-2105304842 [2,0,0,0,0,1|0,0,0]=3 78 B17R3.4465 O=C1CNC[C@@H]2N1CCC3=C2C=CC=C3 MCULE-3508577013 [2,0,0,0,0,1|0,0,0]=3 79 B17R3.4465 O=C1CNC[C@H]2N1CCC3=C2C=CC=C3 MCULE-7230414532 [2,0,0,0,0,1|0,0,0]=3 80 B17R3.4465 O=C1CNC[C@H]2N1CCC3=CC=CC=C23 MCULE-6716557171 [2,0,0,0,0,1|0,0,0]=3