0 B18R2.4685 CC(=NNCc1ccccc1)C2CCOC2=O 4a_100000007032_100000211971 [0,0,0,0,0,0|1,0,2]=3 1 B18R2.4685 CC(=NNCc1ccccc1)c2cnoc2C 4a_100000007032_100000747712 [0,0,0,0,0,0|3,0,1]=4 2 B18R2.4685 CC(=NNCc1ccccn1)C2CCOC2=O 4a_100000736832_100000211971 [0,0,0,0,0,0|2,0,2]=4 3 B18R2.4685 CC(=NNCc1cccnc1)C2CCOC2=O 4a_100000738295_100000211971 [0,0,0,0,0,0|2,0,2]=4 4 B18R2.4685 CC(=NNCc1ccncc1)C2CCOC2=O 4a_100000736929_100000211971 [0,0,0,0,0,0|2,0,2]=4 5 B18R2.4685 CN(CCCc1ccccc1)C2CCOC2=O 2230a_100000693637_100000211211 [0,0,0,0,0,0|2,0,2]=4 6 B18R2.4685 CN(CCCc1ccccc1)C2CCOC2=O 269982a_100000693637_100000211211 [0,0,0,0,0,0|2,0,2]=4 7 B18R2.4685 O=C(CCCc1ccccc1)C2CCOC2=O 1458a_100011207963_100000211211 [0,0,0,0,0,0|2,0,2]=4 8 B17R2.3513 OC1=CCCC1=NNCCc2ccccc2 4a_100000740470_100009841096 [1,0,0,0,0,0|2,0,1]=4 9 B17R2.5714 CC(=NNCc1ccccc1)C2=CCCC2 4a_100000007032_100000732673 [1,0,0,0,0,0|2,0,0]=3 10 B17R2.5714 CC(=NNCc1ccccc1)c2cocn2 4a_100000007032_100009869376 [1,0,0,0,0,0|2,0,1]=4 11 B17R2.5714 CC(=NNCc1ccccn1)C2=CCCC2 4a_100000736832_100000732673 [1,0,0,0,0,0|3,0,0]=4 12 B17R2.5714 CC(=NNCc1cccnc1)C2=CCCC2 4a_100000738295_100000732673 [1,0,0,0,0,0|3,0,0]=4 13 B17R2.5714 CC(=NNCc1ccncc1)C2=CCCC2 4a_100000736929_100000732673 [1,0,0,0,0,0|3,0,0]=4 14 B17R2.5714 O=C(CCCc1ccccc1)C2=CCCC2 1458a_100000038896_100000211621 [1,0,0,0,0,0|3,0,0]=4 15 B17R2.5714 O=C(CCCc1ccccc1)C2=COCC2 1458a_100000750620_100000211621 [1,0,0,0,0,0|2,0,0]=3 16 B17R2.5714 O=C(CCOc1ccccc1)C2=COCC2 1458a_100000750620_100000184471 [1,0,0,0,0,0|3,0,0]=4 17 B17R2.5714 O=C(CCSc1ccccc1)C2=COCC2 1458a_100000750620_100000246102 [1,0,0,0,0,0|3,0,0]=4 18 B17R2.5714 O=C(CSCc1ccccc1)C2=COCC2 1458a_100000750620_200011217039 [1,0,0,0,0,0|3,0,0]=4 19 B17R2.5714 O=C(NCCc1ccccc1)C2=CCCC2 11a_100000106460_100000038896 [1,0,0,0,0,0|2,0,1]=4 20 B17R2.5714 O=C(NCCc1ccccc1)C2=CCCC2 1626a_100000106460_100000038896 [1,0,0,0,0,0|2,0,1]=4 21 B17R2.5714 O=C(NCCc1ccccc1)C2=CCCC2 240690a_100000106460_100000038896 [1,0,0,0,0,0|2,0,1]=4 22 B17R2.5714 O=C(NCCc1ccccc1)C2=COCC2 1626a_100000106460_100000750620 [1,0,0,0,0,0|1,0,1]=3 23 B17R2.5714 O=C(NCCc1ccccc1)C2=COCC2 240690a_100000106460_100000750620 [1,0,0,0,0,0|1,0,1]=3 24 B17R2.5714 O=C(NCCc1ccccn1)C2=COCC2 1626a_100000211156_100000750620 [1,0,0,0,0,0|2,0,1]=4 25 B17R2.5714 O=C(NCCc1ccccn1)C2=COCC2 240690a_100000211156_100000750620 [1,0,0,0,0,0|2,0,1]=4 26 B17R2.5714 O=C(NCCc1cccnc1)C2=COCC2 1626a_100000736294_100000750620 [1,0,0,0,0,0|2,0,1]=4 27 B17R2.5714 O=C(NCCc1cccnc1)C2=COCC2 240690a_100000736294_100000750620 [1,0,0,0,0,0|2,0,1]=4 28 B17R2.5714 O=C(NCCc1ccncc1)C2=COCC2 1626a_100000742849_100000750620 [1,0,0,0,0,0|2,0,1]=4 29 B17R2.5714 O=C(NCCc1ccncc1)C2=COCC2 240690a_100000742849_100000750620 [1,0,0,0,0,0|2,0,1]=4 30 B17R2.5714 O=C(NNCc1ccccc1)C2=COCC2 22a_100000007032_100000750620 [1,0,0,0,0,0|2,0,1]=4 31 B19R2.48008 CC(=NNCc1cccc(c1)Br)C2CCOC2=O 4a_100000686200_100000211971 [0,1,0,0,0,0|1,0,2]=4 32 B19R2.48008 CC(=NNCc1cccc(c1)Cl)C2CCOC2=O 4a_100000685877_100000211971 [0,1,0,0,0,0|1,0,2]=4 33 B19R2.48008 CC(=NNCc1cccc(c1)F)C2CCOC2=O 4a_100016993953_100000211971 [0,1,0,0,0,0|1,0,2]=4 34 B19R2.50151 CC(=NNCc1ccccc1Br)C2CCOC2=O 4a_200016993956_100000211971 [0,1,0,0,0,0|1,0,2]=4 35 B19R2.50151 CC(=NNCc1ccccc1C)C2CCOC2=O 4a_100000737298_100000211971 [0,1,0,0,0,0|1,0,2]=4 36 B19R2.50151 CC(=NNCc1ccccc1Cl)C2CCOC2=O 4a_100015187261_100000211971 [0,1,0,0,0,0|1,0,2]=4 37 B19R2.50151 CC(=NNCc1ccccc1F)C2CCOC2=O 4a_100015200773_100000211971 [0,1,0,0,0,0|1,0,2]=4 38 B19R2.51623 CC(=NNCc1ccccc1)C2(CCOC2=O)C 4a_100000007032_200011217335 [0,1,0,0,0,0|1,0,2]=4 39 B19R2.51623 CC(=NNCc1ccccc1)C2(CCOC2=O)F 4a_100000007032_100015331679 [0,1,0,0,0,0|1,0,2]=4 40 B19R2.149530 CC(=NNCc1ccc(cc1)Br)C2CCOC2=O 4a_100016993955_100000211971 [0,1,0,0,0,0|1,0,2]=4 41 B19R2.149530 CC(=NNCc1ccc(cc1)C)C2CCOC2=O 4a_100011197965_100000211971 [0,1,0,0,0,0|1,0,2]=4 42 B19R2.149530 CC(=NNCc1ccc(cc1)Cl)C2CCOC2=O 4a_100000689899_100000211971 [0,1,0,0,0,0|1,0,2]=4 43 B19R2.149530 CC(=NNCc1ccc(cc1)F)C2CCOC2=O 4a_100000689900_100000211971 [0,1,0,0,0,0|1,0,2]=4 44 B19R2.149530 CC(=NNCc1ccc(cc1)I)C2CCOC2=O 4a_102495363730_100000211971 [0,1,0,0,0,0|1,0,2]=4 45 B17R1.2398 COC(=O)C(C)C(=NNCc1ccccc1)C 4a_100000007032_100000684895 [0,0,1,0,0,0|1,0,2]=4 46 B17R1.22068 CCOC(=O)C=C(C)CNCc1ccccc1 2230a_100015324214_100135422193 [0,0,1,0,0,0|2,0,1]=4 47 B17R1.22068 CCOC(=O)C=C(C)CNCc1ccccc1 34a_100015324214_100135422193 [0,0,1,0,0,0|2,0,1]=4 48 B17R1.22068 CCOC(=O)C=C(C)COCc1ccccc1 34a_100000210790_100135422193 [0,0,1,0,0,0|2,0,1]=4 49 B17R1.22068 CCOC(=O)C=C(C)COCc1ccccc1 7a_100000210790_100135422193 [0,0,1,0,0,0|2,0,1]=4 50 B17R1.22068 CCOC(=O)C=C(C)CSCc1ccccc1 62a_100000211182_100135422193 [0,0,1,0,0,0|2,0,1]=4 51 B17R1.22068 CCOC(=O)C=C(C)CSCc1ccccc1 62a_100135422193_100015291786 [0,0,1,0,0,0|2,0,1]=4 52 B17R2.3530 CC(=NNc1ccccc1)C2CCOC2=O 4a_100015195140_100000211971 [0,0,0,0,1,0|1,0,2]=4 53 B17R2.3530 CN(CCc1ccccc1)C2CCOC2=O 2230a_100000207497_100000211211 [0,0,0,0,1,0|1,0,2]=4 54 B17R2.3530 CN(CCc1ccccc1)C2CCOC2=O 269982a_100000207497_100000211211 [0,0,0,0,1,0|1,0,2]=4 55 B17R2.3530 O=C(CCc1ccccc1)C2CCOC2=O 1458a_100000185753_100000211211 [0,0,0,0,1,0|1,0,2]=4 56 B19R2.5666 CC1=C(OCCO1)C(=O)CCCc2ccccc2 1458a_100000068647_100000211621 [0,0,0,0,0,1|3,0,0]=4 57 B19R2.5666 CC1=C(OCCO1)C(=O)NCCc2ccccc2 11a_100000106460_100000068647 [0,0,0,0,0,1|2,0,1]=4 58 B19R2.5666 CC1=C(OCCO1)C(=O)NCCc2ccccc2 1626a_100000106460_100000068647 [0,0,0,0,0,1|2,0,1]=4 59 B19R2.5666 CC1=C(OCCO1)C(=O)NCCc2ccccc2 527a_100000106460_100000068647 [0,0,0,0,0,1|2,0,1]=4 60 B19R2.5666 CC1=C(SCCO1)C(=O)NCCc2ccccc2 11a_100000106460_100000022711 [0,0,0,0,0,1|2,0,1]=4 61 B19R2.5666 CC1=C(SCCO1)C(=O)NCCc2ccccc2 1626a_100000106460_100000022711 [0,0,0,0,0,1|2,0,1]=4 62 B19R2.5666 CC1=C(SCCO1)C(=O)NCCc2ccccc2 527a_100000106460_100000022711 [0,0,0,0,0,1|2,0,1]=4 63 B19R2.16452 CC(=NNCCc1ccccc1)C2CCOC2=O 4a_100000740470_100000211971 [0,0,0,0,0,1|0,0,2]=3 64 B19R2.16452 CC(=NNCCc1ccccc1)c2cnoc2C 4a_100000740470_100000747712 [0,0,0,0,0,1|2,0,1]=4 65 B16R1.1694 CCCC=CC(=NNCc1ccccc1)C 4a_100000007032_100016262776 [1,0,1,0,0,0|2,0,0]=4 66 B16R1.1694 CCOC=CC(=O)CCCc1ccccc1 1458a_100016266692_100000211621 [1,0,1,0,0,0|2,0,0]=4 67 B16R1.1694 CCOC=CC(=O)NCCc1ccccc1 11a_100000106460_100016266692 [1,0,1,0,0,0|1,0,1]=4 68 B16R1.1694 CCOC=CC(=O)NCCc1ccccc1 1626a_100000106460_100016266692 [1,0,1,0,0,0|1,0,1]=4 69 B16R1.1694 CCOC=CC(=O)NCCc1ccccc1 240690a_100000106460_100016266692 [1,0,1,0,0,0|1,0,1]=4 70 B16R2.2257 C(=NNCc1ccccc1)C2=CCCC2 4a_100000007032_100000702379 [2,0,0,0,0,0|2,0,0]=4 71 B18R2.3898 CC(=NNCc1cccc(c1)Br)C2=CCCC2 4a_100000686200_100000732673 [1,1,0,0,0,0|2,0,0]=4 72 B18R2.3898 CC(=NNCc1cccc(c1)Cl)C2=CCCC2 4a_100000685877_100000732673 [1,1,0,0,0,0|2,0,0]=4 73 B18R2.3898 CC(=NNCc1cccc(c1)F)C2=CCCC2 4a_100016993953_100000732673 [1,1,0,0,0,0|2,0,0]=4 74 B18R2.3898 Cc1cccc(c1)CCNC(=O)C2=COCC2 1626a_100000749837_100000750620 [1,1,0,0,0,0|1,0,1]=4 75 B18R2.3898 Cc1cccc(c1)CCNC(=O)C2=COCC2 240690a_100000749837_100000750620 [1,1,0,0,0,0|1,0,1]=4 76 B18R2.3898 O=C(CCCc1cccc(c1)Br)C2=COCC2 1458a_100000750620_100011713683 [1,1,0,0,0,0|2,0,0]=4 77 B18R2.3898 O=C(CCCc1cccc(c1)F)C2=COCC2 1458a_100000750620_200000698031 [1,1,0,0,0,0|2,0,0]=4 78 B18R2.3898 O=C(NCCc1cccc(c1)Br)C2=COCC2 1626a_100011207229_100000750620 [1,1,0,0,0,0|1,0,1]=4 79 B18R2.3898 O=C(NCCc1cccc(c1)Br)C2=COCC2 240690a_100011207229_100000750620 [1,1,0,0,0,0|1,0,1]=4 80 B18R2.3898 O=C(NCCc1cccc(c1)Cl)C2=COCC2 1626a_100000185263_100000750620 [1,1,0,0,0,0|1,0,1]=4 81 B18R2.3898 O=C(NCCc1cccc(c1)Cl)C2=COCC2 240690a_100000185263_100000750620 [1,1,0,0,0,0|1,0,1]=4 82 B18R2.3898 O=C(NCCc1cccc(c1)F)C2=COCC2 1626a_100000205154_100000750620 [1,1,0,0,0,0|1,0,1]=4 83 B18R2.3898 O=C(NCCc1cccc(c1)F)C2=COCC2 240690a_100000205154_100000750620 [1,1,0,0,0,0|1,0,1]=4 84 B18R2.3898 O=C(NCCc1cccc(c1)O)C2=COCC2 240690a_100000747277_100000750620 [1,1,0,0,0,0|1,0,1]=4 85 B18R2.3989 CC(=NNCc1ccccc1Br)C2=CCCC2 4a_200016993956_100000732673 [1,1,0,0,0,0|2,0,0]=4 86 B18R2.3989 CC(=NNCc1ccccc1C)C2=CCCC2 4a_100000737298_100000732673 [1,1,0,0,0,0|2,0,0]=4 87 B18R2.3989 CC(=NNCc1ccccc1Cl)C2=CCCC2 4a_100015187261_100000732673 [1,1,0,0,0,0|2,0,0]=4 88 B18R2.3989 CC(=NNCc1ccccc1F)C2=CCCC2 4a_100015200773_100000732673 [1,1,0,0,0,0|2,0,0]=4 89 B18R2.3989 Cc1ccccc1CCNC(=O)C2=COCC2 1626a_100000685071_100000750620 [1,1,0,0,0,0|1,0,1]=4 90 B18R2.3989 Cc1ccccc1CCNC(=O)C2=COCC2 240690a_100000685071_100000750620 [1,1,0,0,0,0|1,0,1]=4 91 B18R2.3989 O=C(CCCc1ccccc1Br)C2=COCC2 1458a_100000750620_200011713681 [1,1,0,0,0,0|2,0,0]=4 92 B18R2.3989 O=C(NCCc1ccccc1Br)C2=COCC2 1626a_100000747383_100000750620 [1,1,0,0,0,0|1,0,1]=4 93 B18R2.3989 O=C(NCCc1ccccc1Br)C2=COCC2 240690a_100000747383_100000750620 [1,1,0,0,0,0|1,0,1]=4 94 B18R2.3989 O=C(NCCc1ccccc1Cl)C2=COCC2 1626a_100011207228_100000750620 [1,1,0,0,0,0|1,0,1]=4 95 B18R2.3989 O=C(NCCc1ccccc1Cl)C2=COCC2 240690a_100011207228_100000750620 [1,1,0,0,0,0|1,0,1]=4 96 B18R2.3989 O=C(NCCc1ccccc1F)C2=COCC2 1626a_100000185272_100000750620 [1,1,0,0,0,0|1,0,1]=4 97 B18R2.3989 O=C(NCCc1ccccc1F)C2=COCC2 240690a_100000185272_100000750620 [1,1,0,0,0,0|1,0,1]=4 98 B18R2.3989 O=C(NCCc1ccccc1O)C2=COCC2 240690a_100011207237_100000750620 [1,1,0,0,0,0|1,0,1]=4 99 B18R2.8984 CC(=NNCc1ccc(cc1)Br)C2=CCCC2 4a_100016993955_100000732673 [1,1,0,0,0,0|2,0,0]=4 100 B18R2.8984 CC(=NNCc1ccc(cc1)C)C2=CCCC2 4a_100011197965_100000732673 [1,1,0,0,0,0|2,0,0]=4 101 B18R2.8984 CC(=NNCc1ccc(cc1)Cl)C2=CCCC2 4a_100000689899_100000732673 [1,1,0,0,0,0|2,0,0]=4 102 B18R2.8984 CC(=NNCc1ccc(cc1)F)C2=CCCC2 4a_100000689900_100000732673 [1,1,0,0,0,0|2,0,0]=4 103 B18R2.8984 CC(=NNCc1ccc(cc1)I)C2=CCCC2 4a_102495363730_100000732673 [1,1,0,0,0,0|2,0,0]=4 104 B18R2.8984 Cc1ccc(cc1)CCNC(=O)C2=COCC2 1626a_100000705350_100000750620 [1,1,0,0,0,0|1,0,1]=4 105 B18R2.8984 Cc1ccc(cc1)CCNC(=O)C2=COCC2 240690a_100000705350_100000750620 [1,1,0,0,0,0|1,0,1]=4 106 B18R2.8984 O=C(CCCc1ccc(cc1)Br)C2=COCC2 1458a_100000750620_100011713682 [1,1,0,0,0,0|2,0,0]=4 107 B18R2.8984 O=C(CCCc1ccc(cc1)Cl)C2=COCC2 1458a_100000750620_100000759440 [1,1,0,0,0,0|2,0,0]=4 108 B18R2.8984 O=C(CCCc1ccc(cc1)F)C2=COCC2 1458a_100000750620_200011713563 [1,1,0,0,0,0|2,0,0]=4 109 B18R2.8984 O=C(NCCc1ccc(cc1)Br)C2=COCC2 1626a_100000755846_100000750620 [1,1,0,0,0,0|1,0,1]=4 110 B18R2.8984 O=C(NCCc1ccc(cc1)Br)C2=COCC2 240690a_100000755846_100000750620 [1,1,0,0,0,0|1,0,1]=4 111 B18R2.8984 O=C(NCCc1ccc(cc1)Cl)C2=COCC2 1626a_100000185265_100000750620 [1,1,0,0,0,0|1,0,1]=4 112 B18R2.8984 O=C(NCCc1ccc(cc1)Cl)C2=COCC2 240690a_100000185265_100000750620 [1,1,0,0,0,0|1,0,1]=4 113 B18R2.8984 O=C(NCCc1ccc(cc1)F)C2=COCC2 1626a_100000199005_100000750620 [1,1,0,0,0,0|1,0,1]=4 114 B18R2.8984 O=C(NCCc1ccc(cc1)F)C2=COCC2 240690a_100000199005_100000750620 [1,1,0,0,0,0|1,0,1]=4 115 B18R2.8984 O=C(NCCc1ccc(cc1)O)C2=COCC2 240690a_100000743037_100000750620 [1,1,0,0,0,0|1,0,1]=4 116 B18R2.11742 CN(CCc1ccccc1)C(=O)C2=COCC2 1626a_100000207497_100000750620 [1,1,0,0,0,0|1,0,1]=4 117 B18R2.11742 CN(CCc1ccccc1)C(=O)C2=COCC2 240690a_100000207497_100000750620 [1,1,0,0,0,0|1,0,1]=4 118 B18R2.72597 CC(CNC(=O)C1=COCC1)c2ccccc2 1626a_100000701038_100000750620 [1,1,0,0,0,0|1,0,1]=4 119 B18R2.72597 CC(CNC(=O)C1=COCC1)c2ccccc2 240690a_100000701038_100000750620 [1,1,0,0,0,0|1,0,1]=4 120 B18R2.72597 O=C(CC[C@@H](O)c1ccccc1)C2=COCC2 1458a_100000750620_100000729684 [1,1,0,0,0,0|2,0,0]=4 121 B18R2.72597 O=C(NCC(O)c1ccccc1)C2=COCC2 240690a_100000210709_100000750620 [1,1,0,0,0,0|1,0,1]=4 122 B20R2.77266 CC(=NNCCc1ccccc1)C2(CCOC2=O)C 4a_100000740470_200011217335 [0,1,0,0,0,1|0,0,2]=4 123 B20R2.77266 CC(=NNCCc1ccccc1)C2(CCOC2=O)F 4a_100000740470_100015331679 [0,1,0,0,0,1|0,0,2]=4 124 B16R1.1570 CCOC(=O)C=C(C)CNc1ccccc1 34a_100000106764_100135422193 [0,0,1,0,1,0|1,0,1]=4 125 B16R1.1570 CCOC(=O)C=C(C)COc1ccccc1 34a_100000210340_100135422193 [0,0,1,0,1,0|1,0,1]=4 126 B16R1.1570 CCOC(=O)C=C(C)COc1ccccc1 7a_100000210340_100135422193 [0,0,1,0,1,0|1,0,1]=4 127 B16R1.1570 CCOC(=O)C=C(C)CSc1ccccc1 62a_100000719477_100135422193 [0,0,1,0,1,0|1,0,1]=4 128 B16R1.1570 CCOC(=O)C=C(C)CSc1ccccc1 62a_100135422193_100000041952 [0,0,1,0,1,0|1,0,1]=4 129 B16R2.3250 OC1=CCCC1=NNCc2ccccc2 4a_100000007032_100009841096 [1,0,0,0,1,0|2,0,0]=4 130 B16R2.2238 CC(=NNc1ccccc1)C2=CCCC2 4a_100015195140_100000732673 [1,0,0,0,1,0|2,0,0]=4 131 B16R2.2238 O=C(CCc1ccccc1)C2=CCCC2 1458a_100000038896_100000765856 [1,0,0,0,1,0|2,0,0]=4 132 B16R2.2238 O=C(CCc1ccccc1)C2=COCC2 1458a_100000750620_100000765856 [1,0,0,0,1,0|1,0,0]=3 133 B16R2.2238 O=C(CCc1ccccn1)C2=COCC2 1458a_100000750620_100015183660 [1,0,0,0,1,0|2,0,0]=4 134 B16R2.2238 O=C(CCc1cccnc1)C2=COCC2 1458a_100000750620_200011713674 [1,0,0,0,1,0|2,0,0]=4 135 B16R2.2238 O=C(CCc1ccncc1)C2=COCC2 1458a_100000750620_100000723409 [1,0,0,0,1,0|2,0,0]=4 136 B16R2.2238 O=C(NCc1ccccc1)C2=COCC2 1626a_100015324214_100000750620 [1,0,0,0,1,0|1,0,1]=4 137 B16R2.2238 O=C(NCc1ccccc1)C2=COCC2 240690a_100015324214_100000750620 [1,0,0,0,1,0|1,0,1]=4 138 B18R1.6978 COC(=O)C(C)C(=NNCCc1ccccc1)C 4a_100000740470_100000684895 [0,0,1,0,0,1|0,0,2]=4 139 B18R1.4565 CCOC(=O)/C=C(\C)/C=NNCc1ccccc1 4a_100000007032_200016988100 [0,0,1,0,0,1|1,0,1]=4 140 B18R1.4565 CCOC(=O)C=C(C)CNCCc1ccccc1 2230a_100000106460_100135422193 [0,0,1,0,0,1|0,0,2]=4 141 B18R1.4565 CCOC(=O)C=C(C)CNCCc1ccccc1 34a_100000106460_100135422193 [0,0,1,0,0,1|0,0,2]=4 142 B18R1.4565 CCOC(=O)C=C(C)COCCc1ccccc1 34a_100000210268_100135422193 [0,0,1,0,0,1|1,0,1]=4 143 B18R1.4565 CCOC(=O)C=C(C)COCCc1ccccc1 7a_100000210268_100135422193 [0,0,1,0,0,1|1,0,1]=4 144 B18R1.4565 CCOC(=O)C=C(C)CSCCc1ccccc1 62a_100000765856_100135422193 [0,0,1,0,0,1|1,0,1]=4 145 B18R1.4565 CCOC(=O)C=C(C)CSCCc1ccccc1 62a_100135422193_100011218657 [0,0,1,0,0,1|1,0,1]=4 146 B18R2.7188 CC(=NNCCc1ccccc1)C2=CCCC2 4a_100000740470_100000732673 [1,0,0,0,0,1|1,0,0]=3 147 B18R2.7188 CC(=NNCCc1ccccc1)c2cocn2 4a_100000740470_100009869376 [1,0,0,0,0,1|1,0,1]=4 148 B18R2.7188 O=C(CCCCc1ccccc1)C2=COCC2 1458a_100000750620_100000701786 [1,0,0,0,0,1|2,0,0]=4 149 B18R2.7188 O=C(CCCOc1ccccc1)C2=COCC2 1458a_100000750620_100000199009 [1,0,0,0,0,1|2,0,0]=4 150 B18R2.7188 O=C(CCCSc1ccccc1)C2=COCC2 1458a_100000750620_200011203293 [1,0,0,0,0,1|2,0,0]=4 151 B18R2.7188 O=C(CCOCc1ccccc1)C2=COCC2 1458a_100000750620_100000234347 [1,0,0,0,0,1|2,0,0]=4 152 B18R2.7188 O=C(CCSCc1ccccc1)C2=COCC2 1458a_100000750620_200011297719 [1,0,0,0,0,1|2,0,0]=4 153 B18R2.7188 O=C(NCCCc1ccccc1)C2=COCC2 1626a_100000211184_100000750620 [1,0,0,0,0,1|1,0,1]=4 154 B18R2.7188 O=C(NCCCc1ccccc1)C2=COCC2 240690a_100000211184_100000750620 [1,0,0,0,0,1|1,0,1]=4 155 B18R2.7188 O=C(NCCOc1ccccc1)C2=COCC2 1626a_100000174943_100000750620 [1,0,0,0,0,1|1,0,1]=4 156 B18R2.7188 O=C(NCCOc1ccccc1)C2=COCC2 240690a_100000174943_100000750620 [1,0,0,0,0,1|1,0,1]=4 157 B18R2.7188 O=C(NCCSc1ccccc1)C2=COCC2 240690a_100000189519_100000750620 [1,0,0,0,0,1|1,0,1]=4 158 B18R2.7188 O=C(NNCCc1ccccc1)C2=COCC2 22a_100000740470_100000750620 [1,0,0,0,0,1|1,0,1]=4 159 B18R2.4001 CC1=C(OCCO1)C(=O)CCc2ccccc2 1458a_100000068647_100000765856 [0,0,0,0,1,1|2,0,0]=4